A0A087XP56_POEFO Loading...

Family with sequence similarity 43 member B

AlphaFold DB , UniProt , Accession A0A087XP56, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 270 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
1M34.4Very low38.9Very low241 Ų241155.1 Ų155.1100%1.18772%0.719SS**  0115.70-66.1-176.180.200108.7
2L33.3Very low39.4Very low159 Ų159148 Ų14883%0.83269%0.694SS**  trans-77.1135.1-177.6-72.3165.3000111W4L2-W4 PolarHBondContact O-N 3.32Å
3P37.1Very low39.4Very low100 Ų100148.5 Ų148.565%0.64970%0.697SS**  trans-75.2112.1-177.829-31000110R5P3-R5 PolarHBondContact O-N 3.49Å; P3-R5 VanDerWaalsContact O-N 3.15Å
4W36.1Very low39.6Very low237 Ų237150 Ų15090%0.89871%0.711SS**  trans-64.3110.6175.3-81.864.1000110.6L2 R6L2-W4 PolarHBondContact O-N 3.32Å; W4-R6 PolarHBondContact O-N 2.68Å
5R41.3Very low39.5Very low174 Ų174149.4 Ų149.466%0.65771%0.714SS**  trans-63.4104.8165.7-91-169.5179.3-109.3-1109.5P3P3-R5 PolarHBondContact O-N 3.49Å; P3-R5 VanDerWaalsContact O-N 3.15Å
6R43.4Very low39.6Very low213 Ų213145.6 Ų145.680%0.80472%0.716SS**  trans-89.8107.4167.6-79.2-176.7172.9174.5-1.4109.4W4 K8W4-R6 PolarHBondContact O-N 2.68Å; R6-K8 PolarHBondContact O-N 3.08Å
7N42.5Very low40Very low104 Ų104149.4 Ų149.456%0.55673%0.727SS**  trans-73114.3165.8-80.3-13.7000108.8F9N7-F9 HydrophobicContact CB-CE2 4.09Å; N7-F9 HydrophobicContact CB-CZ 4.2Å
8K37.8Very low39.7Very low155 Ų155148.4 Ų148.467%0.67473%0.732SS**  trans-89.4103.1176.7-145.8176.5-172.1-179.70107.9R6R6-K8 PolarHBondContact O-N 3.08Å
9F40.6Very low39.5Very low125 Ų125150.5 Ų150.555%0.54874%0.736SS.*  trans-79135.1172.9-60.7-82.9000108.9N7 V63N7-F9 HydrophobicContact CB-CE2 4.09Å; N7-F9 HydrophobicContact CB-CZ 4.2Å; F9-V63 HydrophobicContact CD1-CB 4.41Å; F9-V63 HydrophobicContact CD1-CG2 4.25Å; F9-V63 HydrophobicContact CE1-CG2 4.27Å
10V42.4Very low39.3Very low79 Ų79149.6 Ų149.648%0.47974%0.742SS.*  trans-110.6117.8173.7179.80000106.9
11L38.8Very low39.2Very low119 Ų119152.2 Ų152.262%0.62375%0.749SS**  trans-72.8136.2173.1-156.285.8000108.1L65L11-L65 HydrophobicContact CD1-CD1 3.96Å
12V45Very low39.3Very low70 Ų70146.4 Ų146.442%0.42473%0.733SS.*  trans-84.9114.1173.9179.60000107.2K62V12-K62 HydrophobicContact CG2-CD 4.34Å; V12-K62 HydrophobicContact CG2-CG 4.17Å
13E39.1Very low39.7Very low155 Ų155147.4 Ų147.472%0.72474%0.738SS**  trans-91.5144.5156.2-79.2-179.7151.900108.1D15E13-D15 PolarHBondContact O-N 3.37Å
14D42.2Very low39.6Very low169 Ų169146.1 Ų146.190%0.90474%0.743SS**  trans-68.697.3176.9-83.7-37.9000109.5A16D14-A16 PolarHBondContact O-N 3.36Å
15D39.1Very low40.2Very low141 Ų141142.3 Ų142.375%0.75475%0.746SS**  trans-78.6108.7-178.1-83-36.7000112E13E13-D15 PolarHBondContact O-N 3.37Å
16A40.3Very low40.3Very low89 Ų89137.3 Ų137.374%0.73675%0.748SS**  trans-68.9121.4149.200000109.2D14 T18D14-A16 PolarHBondContact O-N 3.36Å; A16-T18 PolarHBondContact O-N 3.24Å
17K45.8Very low40.5Very low209 Ų209134.5 Ų134.591%0.90975%0.749SS**  trans-0.5105.5168.8-72.2178.2175.9174.80116.4
18T35.7Very low41.2Very low133 Ų133134.5 Ų134.582%0.81675%0.752SS**  trans-141.3146.4151.454.80000113A16A16-T18 PolarHBondContact O-N 3.24Å
19K35.3Very low41.8Very low188 Ų188131.9 Ų131.982%0.81774%0.739SS**PPolyproline II helixtrans-65.7159.5-171.9-68.9-177.5178.5-178.80113.7K21K19-K21 PolarHBondContact O-N 3.26Å
20P35.2Very low42.5Very low132 Ų132133 Ų13386%0.85775%0.746SS**PPolyproline II helixtrans-69.4124.6179.728.6-34000111.6
21K37.4Very low43.3Very low204 Ų204131.6 Ų131.689%0.88774%0.739SS**PPolyproline II helixtrans-92.4125.8166.8-67.8-176.1179.9177.10109.3K19K19-K21 PolarHBondContact O-N 3.26Å
22S36.2Very low44.3Very low120 Ų120131.2 Ų131.284%0.83974%0.737SS**PPolyproline II helixtrans-62.2135.3174.854.60000111.6
23L43.3Very low44.9Very low179 Ų179130.7 Ų130.794%0.93773%0.731SS**PPolyproline II helixtrans-75.8122.7175.4-77.4161.3000110.3
24G34.5Very low46Very low73 Ų73126.7 Ų126.775%0.75372%0.72SS**PPolyproline II helixtrans-64.8145.8173.300000113.1
25T47.3Very low46.8Very low158 Ų158122.1 Ų122.197%0.96970%0.702SS**PPolyproline II helixtrans-55.6123175.9-18.80000111.6
26G44.1Very low47.7Very low68 Ų68121.1 Ų121.170%0.70170%0.696SS**  trans-164.5102.8175.600000112.7
27L48.6Very low48.7Very low155 Ų155122.1 Ų122.181%0.81269%0.688SS**  trans5898.2169.1-66.6162.5000116.2
28T55.8Low49.4Very low104 Ų104123 Ų12364%0.63869%0.686SS**  trans-72.2131.9173.351.10000110.8H30 S31T28-H30 PolarHBondContact O-N 3.24Å; T28-S31 PolarHBondContact O-N 3.37Å; T28-S31 PolarHBondContact O-OG 3.16Å; T28-S31 VanDerWaalsContact O-OG 3.1Å
29Y52Low50.3Low100 Ų100120.8 Ų120.839%0.39268%0.676SS.*Hα-helixtrans-45-28.5177.4179.2-115000114.8S31 L33 V52 F56Y29-S31 PolarHBondContact O-N 3.2Å; Y29-L33 HydrophobicContact CD1-CD1 3.74Å; Y29-L33 HydrophobicContact CD1-CG 4.48Å; Y29-L33 HydrophobicContact CE1-CD1 3.19Å; Y29-L33 HydrophobicContact CE1-CG 4.11Å; Y29-L33 HydrophobicContact CE2-CD1 4.19Å; Y29-L33 HydrophobicContact CE2-CD2 4.46Å; Y29-L33 HydrophobicContact CE2-CG 4.26Å; Y29-L33 HydrophobicContact CG-CD1 4.43Å; Y29-L33 VanDerWaalsContact CZ-CD1 3.44Å; Y29-L33 PolarHBondContact O-N 2.91Å; Y29-V52 WeakPolarHBondContact OH-CG1 2.94Å; Y29-F56 HydrophobicContact CE2-CD2 4.37Å; Y29-F56 AromaticContact CE2-CE2 3.79Å; Y29-F56 HydrophobicContact CE2-CE2 3.79Å; Y29-F56 HydrophobicContact CE2-CZ 4.06Å; Y29-F56 AromaticContact CZ-CE2 3.93Å
30H54.8Low51.2Low148 Ų148114.9 Ų114.969%0.68566%0.657SS**Hα-helixtrans-61.4-35.1178.3-77.3-81.5000114.7T28 S34T28-H30 PolarHBondContact O-N 3.24Å; H30-S34 WeakPolarHBondContact O-CB 3.29Å; H30-S34 PolarHBondContact O-N 2.75Å; H30-S34 PolarHBondContact O-OG 3.4Å
31S59.5Low52.2Low50 Ų50113.3 Ų113.335%0.3565%0.647SS.*Hα-helixtrans-71.2-39.3-176.262.10000112.1T28 Y29 S34 S35T28-S31 PolarHBondContact O-N 3.37Å; T28-S31 PolarHBondContact O-OG 3.16Å; T28-S31 VanDerWaalsContact O-OG 3.1Å; Y29-S31 PolarHBondContact O-N 3.2Å; S31-S34 WeakPolarHBondContact CA-OG 2.84Å; S31-S34 PolarHBondContact O-N 3.19Å; S31-S34 PolarHBondContact O-OG 2.92Å; S31-S35 PolarHBondContact O-N 3.2Å
32I59.3Low53Low110 Ų110111 Ų11156%0.56464%0.644SS**Hα-helixtrans-68.2-40.9179.2-55.7174.9000110.4S35 L36I32-S35 PolarHBondContact O-N 3.25Å; I32-L36 PolarHBondContact O-N 3.06Å
33L57.2Low53.9Low60 Ų60111.8 Ų111.831%0.31464%0.638SS.*Hα-helixtrans-67.8-39.5176.4-70.2-176.2000112.6Y29 S35 L36 L37Y29-L33 HydrophobicContact CD1-CD1 3.74Å; Y29-L33 HydrophobicContact CD1-CG 4.48Å; Y29-L33 HydrophobicContact CE1-CD1 3.19Å; Y29-L33 HydrophobicContact CE1-CG 4.11Å; Y29-L33 HydrophobicContact CE2-CD1 4.19Å; Y29-L33 HydrophobicContact CE2-CD2 4.46Å; Y29-L33 HydrophobicContact CE2-CG 4.26Å; Y29-L33 HydrophobicContact CG-CD1 4.43Å; Y29-L33 VanDerWaalsContact CZ-CD1 3.44Å; Y29-L33 PolarHBondContact O-N 2.91Å; L33-S35 VanDerWaalsContact C-N 3.29Å; L33-S35 PolarHBondContact O-N 2.79Å; L33-L36 PolarHBondContact O-N 3.49Å; L33-L37 WeakPolarHBondContact O-CB 3.48Å; L33-L37 VanDerWaalsContact O-CG 3.29Å; L33-L37 WeakPolarHBondContact O-CG 3.35Å; L33-L37 PolarHBondContact O-N 3.27Å
34S62.3Low54.2Low71 Ų71109.4 Ų109.450%0.49763%0.626SS.*Hα-helixtrans-63.6-34.1178.365.80000113H30 S31 R38H30-S34 WeakPolarHBondContact O-CB 3.29Å; H30-S34 PolarHBondContact O-N 2.75Å; H30-S34 PolarHBondContact O-OG 3.4Å; S31-S34 WeakPolarHBondContact CA-OG 2.84Å; S31-S34 PolarHBondContact O-N 3.19Å; S31-S34 PolarHBondContact O-OG 2.92Å; S34-R38 WeakPolarHBondContact O-CB 3.44Å; S34-R38 PolarHBondContact O-N 2.98Å
35S59.3Low55.2Low73 Ų73110.1 Ų110.151%0.5162%0.617SS.*Hα-helixtrans-69.6-38.8174.7166.80000112S31 I32 L33 S39S31-S35 PolarHBondContact O-N 3.2Å; I32-S35 PolarHBondContact O-N 3.25Å; L33-S35 VanDerWaalsContact C-N 3.29Å; L33-S35 PolarHBondContact O-N 2.79Å; S35-S39 PolarHBondContact O-N 3.38Å; S35-S39 PolarHBondContact O-OG 2.92Å
36L58.6Low55.2Low119 Ų119110.4 Ų110.462%0.62361%0.613SS**Hα-helixtrans-70.3-44.5179.4-13696.5000111.8I32 L33 R38 S39 C40I32-L36 PolarHBondContact O-N 3.06Å; L33-L36 PolarHBondContact O-N 3.49Å; L36-R38 VanDerWaalsContact C-N 3.25Å; L36-R38 PolarHBondContact O-N 3.1Å; L36-S39 PolarHBondContact O-N 3.35Å; L36-S39 VanDerWaalsContact O-N 3.08Å; L36-C40 PolarHBondContact O-N 3.43Å
37L59.6Low55.6Low111 Ų111110.4 Ų110.458%0.58160%0.601SS**Hα-helixtrans-64-31178.1-71.1168.9000112.3L33 S39L33-L37 WeakPolarHBondContact O-CB 3.48Å; L33-L37 VanDerWaalsContact O-CG 3.29Å; L33-L37 WeakPolarHBondContact O-CG 3.35Å; L33-L37 PolarHBondContact O-N 3.27Å; L37-S39 VanDerWaalsContact C-N 3.31Å
38R60.7Low55.8Low228 Ų228107.5 Ų107.586%0.8659%0.592SS**Hα-helixtrans-73-23.9175-163173.7-146.1152.26.3113.3S34 L36S34-R38 WeakPolarHBondContact O-CB 3.44Å; S34-R38 PolarHBondContact O-N 2.98Å; L36-R38 VanDerWaalsContact C-N 3.25Å; L36-R38 PolarHBondContact O-N 3.1Å
39S54.6Low55.6Low86 Ų86111.2 Ų111.260%0.60160%0.599SS**Hα-helixtrans-94.8-19.6-173.7-53.40000113.2S35 L36 L37S35-S39 PolarHBondContact O-N 3.38Å; S35-S39 PolarHBondContact O-OG 2.92Å; L36-S39 PolarHBondContact O-N 3.35Å; L36-S39 VanDerWaalsContact O-N 3.08Å; L37-S39 VanDerWaalsContact C-N 3.31Å
40C55.2Low55.6Low63 Ų63112.9 Ų112.943%0.42662%0.615SS.*  trans-143.483.4-177.8-55.60000111.4L36 D42 L43L36-C40 PolarHBondContact O-N 3.43Å; C40-D42 VanDerWaalsContact C-N 3.33Å; C40-D42 PolarHBondContact O-N 3.32Å; C40-L43 HydrophobicContact CB-CD1 3.98Å
41P56.5Low55.4Low99 Ų99114.1 Ų114.164%0.64361%0.614SS**THydrogen-bonded Turntrans-72.6-22.1-178.627.7-32.8000113.9
42D54.7Low55.1Low155 Ų155114 Ų11483%0.82961%0.611SS**THydrogen-bonded Turntrans-932.5-171.1-53.6-40000114.5C40C40-D42 VanDerWaalsContact C-N 3.33Å; C40-D42 PolarHBondContact O-N 3.32Å
43L54.7Low54.8Low137 Ų137110.7 Ų110.772%0.71760%0.604SS**  trans-103.230.8-177-74.6174.3000112.7C40 P45C40-L43 HydrophobicContact CB-CD1 3.98Å; L43-P45 VanDerWaalsContact C-CD 3.46Å; L43-P45 WeakPolarHBondContact O-CD 3.39Å
44L50Low54.6Low129 Ų129111.2 Ų111.268%0.67561%0.612SS**  trans-92.592.6176.4-155.182.9000110.3
45P53.6Low54.2Low88 Ų88110.2 Ų110.257%0.57160%0.601SS**  trans-71.6141.8157.531.1-31.2000107.9L43 C47L43-P45 VanDerWaalsContact C-CD 3.46Å; L43-P45 WeakPolarHBondContact O-CD 3.39Å; P45-C47 PolarHBondContact O-N 3.26Å
46D48.8Very low53.8Low164 Ų164112.7 Ų112.788%0.87760%0.603SS**  trans-6364.7171.9-65.6-53.4000111.2
47C52.3Low53.3Low68 Ų68113.8 Ų113.846%0.45961%0.605SS.*  trans-99.2116.4179-69.50000108.2P45 F49P45-C47 PolarHBondContact O-N 3.26Å; C47-F49 PolarHBondContact O-N 3.5Å
48P52.5Low53.1Low95 Ų95111.6 Ų111.662%0.61760%0.596SS**  trans-55.8131.2177.7-22.731.7000111.2D50 W51P48-D50 PolarHBondContact O-N 3.08Å; P48-W51 PolarHBondContact O-N 3.42Å; P48-W51 VanDerWaalsContact O-N 3.16Å
49F51.2Low52.7Low181 Ų181110.3 Ų110.379%0.79460%0.596SS**THydrogen-bonded Turntrans-54.5-15.5-176.9-81.9-91.1000114.7C47 W51 V52C47-F49 PolarHBondContact O-N 3.5Å; F49-W51 PolarHBondContact O-N 3.15Å; F49-V52 PolarHBondContact O-N 3.38Å
50D52.8Low52.6Low135 Ų135115.1 Ų115.172%0.72260%0.601SS**Hα-helixtrans-61.2-27.4176.4-61.3-34.1000113.5P48 S54P48-D50 PolarHBondContact O-N 3.08Å; D50-S54 PolarHBondContact O-OG 2.94Å
51W50Low52.7Low174 Ų174118.5 Ų118.566%0.65961%0.611SS**Hα-helixtrans-70.1-36.5178.7-174.454.4000112.3P48 F49 S54 I55P48-W51 PolarHBondContact O-N 3.42Å; P48-W51 VanDerWaalsContact O-N 3.16Å; F49-W51 PolarHBondContact O-N 3.15Å; W51-S54 PolarHBondContact O-N 3.2Å; W51-I55 HydrophobicContact CD2-CD1 4.29Å; W51-I55 HydrophobicContact CE3-CD1 4.47Å; W51-I55 HydrophobicContact CZ2-CD1 4.42Å; W51-I55 WeakPolarHBondContact O-CG1 3.42Å; W51-I55 PolarHBondContact O-N 3.22Å
52V52.8Low52.6Low48 Ų48121 Ų12129%0.29161%0.612SS.*Hα-helixtrans-73.7-35.9-176.2-179.10000111.6Y29 F49 S54 I55 F56Y29-V52 WeakPolarHBondContact OH-CG1 2.94Å; F49-V52 PolarHBondContact O-N 3.38Å; V52-S54 VanDerWaalsContact C-N 3.25Å; V52-S54 PolarHBondContact O-N 3.4Å; V52-I55 PolarHBondContact O-N 3.3Å; V52-F56 HydrophobicContact CG1-CE2 4.31Å; V52-F56 WeakPolarHBondContact O-CD2 3.46Å
53G52.5Low52.9Low40 Ų40115.9 Ų115.941%0.41259%0.586SS.*Hα-helixtrans-59.9-36172.500000112.7I55 H57G53-I55 VanDerWaalsContact C-N 3.35Å; G53-I55 PolarHBondContact O-N 3.16Å; G53-H57 PolarHBondContact O-CD2 3.46Å
54S53.6Low53.3Low71 Ų71114.7 Ų114.750%0.49758%0.577SS.*Hα-helixtrans-74-18.2-179.9-66.80000114.8D50 W51 V52D50-S54 PolarHBondContact O-OG 2.94Å; W51-S54 PolarHBondContact O-N 3.2Å; V52-S54 VanDerWaalsContact C-N 3.25Å; V52-S54 PolarHBondContact O-N 3.4Å
55I54.2Low53.9Low50 Ų50113.5 Ų113.526%0.25657%0.57SS.*Hα-helixtrans-74.1-27.9179.3-65.7169.5000111.5W51 V52 G53W51-I55 HydrophobicContact CD2-CD1 4.29Å; W51-I55 HydrophobicContact CE3-CD1 4.47Å; W51-I55 HydrophobicContact CZ2-CD1 4.42Å; W51-I55 WeakPolarHBondContact O-CG1 3.42Å; W51-I55 PolarHBondContact O-N 3.22Å; V52-I55 PolarHBondContact O-N 3.3Å; G53-I55 VanDerWaalsContact C-N 3.35Å; G53-I55 PolarHBondContact O-N 3.16Å
56F50.7Low54.3Low126 Ų126116.6 Ų116.655%0.55358%0.582SS**Hα-helixtrans-104.9-3.3-176.2-60-76.5000114.8Y29 V52 T58Y29-F56 HydrophobicContact CE2-CD2 4.37Å; Y29-F56 AromaticContact CE2-CE2 3.79Å; Y29-F56 HydrophobicContact CE2-CE2 3.79Å; Y29-F56 HydrophobicContact CE2-CZ 4.06Å; Y29-F56 AromaticContact CZ-CE2 3.93Å; V52-F56 HydrophobicContact CG1-CE2 4.31Å; V52-F56 WeakPolarHBondContact O-CD2 3.46Å; F56-T58 PolarHBondContact O-N 3.28Å
57H48Very low55.2Low142 Ų142116.1 Ų116.166%0.65757%0.572SS**  trans-71.468.7162.7-67.7-54.4000109.9G53 K59G53-H57 PolarHBondContact O-CD2 3.46Å; H57-K59 PolarHBondContact O-N 2.88Å
58T54.8Low56.3Low64 Ų64121 Ų12139%0.39359%0.589SS.*  trans-65.193.1161.249.90000106.7F56 R60F56-T58 PolarHBondContact O-N 3.28Å; T58-R60 VanDerWaalsContact C-N 3.32Å; T58-R60 PolarHBondContact O-N 2.94Å
59K52.5Low57.7Low201 Ų201119 Ų11987%0.87457%0.571SS**  trans-59101171.8-146.5176.1-171.91780105.8H57 Q61H57-K59 PolarHBondContact O-N 2.88Å; K59-Q61 VanDerWaalsContact C-N 3.34Å; K59-Q61 PolarHBondContact O-N 2.76Å
60R53.2Low59.5Low187 Ų187112.8 Ų112.871%0.70655%0.549SS*.  trans-60.5100.5179.1-73.3-175-177.9-178.42.7106.8T58 K62T58-R60 VanDerWaalsContact C-N 3.32Å; T58-R60 PolarHBondContact O-N 2.94Å; R60-K62 PolarHBondContact O-N 2.83Å
61Q56.8Low61.3Low135 Ų135109.2 Ų109.263%0.63153%0.531SS*.  trans-81.8108.8178.5-161.7172.12.500106.8K59 V63K59-Q61 VanDerWaalsContact C-N 3.34Å; K59-Q61 PolarHBondContact O-N 2.76Å; Q61-V63 HydrophobicContact CB-CG2 4.16Å; Q61-V63 HydrophobicContact CG-CG2 3.82Å; Q61-V63 PolarHBondContact O-N 3.07Å; Q61-V63 VanDerWaalsContact O-N 3.16Å
62K55.5Low63.4Low151 Ų151103 Ų10366%0.65751%0.508SS*.  trans-65.8110.2167.6-169.5178.1-178.1-177.60106.4V12 R60V12-K62 HydrophobicContact CG2-CD 4.34Å; V12-K62 HydrophobicContact CG2-CG 4.17Å; R60-K62 PolarHBondContact O-N 2.83Å
63V60.2Low65.4Low47 Ų47106.9 Ų106.929%0.28553%0.527SS..  trans-118.6112.7179.3-179.50000107.1F9 Q61 L65F9-V63 HydrophobicContact CD1-CB 4.41Å; F9-V63 HydrophobicContact CD1-CG2 4.25Å; F9-V63 HydrophobicContact CE1-CG2 4.27Å; Q61-V63 HydrophobicContact CB-CG2 4.16Å; Q61-V63 HydrophobicContact CG-CG2 3.82Å; Q61-V63 PolarHBondContact O-N 3.07Å; Q61-V63 VanDerWaalsContact O-N 3.16Å; V63-L65 HydrophobicContact CG1-CD2 3.94Å; V63-L65 HydrophobicContact CG1-CG 4.43Å; V63-L65 PolarHBondContact O-N 3.29Å
64E63.2Low67.4Low112 Ų112105.3 Ų105.352%0.52351%0.51SS..  trans-72.4104.4168.9-71.6167.7-171.300107.8N66 K67E64-N66 VanDerWaalsContact C-N 3.28Å; E64-N66 PolarHBondContact O-N 3.08Å; E64-K67 HydrophobicContact CB-CG 4.2Å; E64-K67 WeakPolarHBondContact OE2-CE 3.47Å; E64-K67 IonicContact OE2-NZ 3.21Å
65L61.8Low69.4Low104 Ų104107.2 Ų107.255%0.54551%0.506SS..THydrogen-bonded Turntrans-75.3-13.8-170.8-73.7171.7000113.9L11 V63L11-L65 HydrophobicContact CD1-CD1 3.96Å; V63-L65 HydrophobicContact CG1-CD2 3.94Å; V63-L65 HydrophobicContact CG1-CG 4.43Å; V63-L65 PolarHBondContact O-N 3.29Å
66N62.7Low71.5Confident153 Ų153106.5 Ų106.582%0.81850%0.5SS*.THydrogen-bonded Turntrans-135.459.1-176-66.9-35.5000111.8E64 E68E64-N66 VanDerWaalsContact C-N 3.28Å; E64-N66 PolarHBondContact O-N 3.08Å; N66-E68 PolarHBondContact O-N 2.91Å
67K67.4Low73.6Confident154 Ų154101.2 Ų101.267%0.6748%0.478SS*.PPolyproline II helixtrans-65.7119166.2-71.8-174.2174.1-175.20108.4E64 E69E64-K67 HydrophobicContact CB-CG 4.2Å; E64-K67 WeakPolarHBondContact OE2-CE 3.47Å; E64-K67 IonicContact OE2-NZ 3.21Å; K67-E69 PolarHBondContact O-N 3.34Å
68E76.7Confident75.9Confident172 Ų17295.2 Ų95.280%0.80446%0.455SS*.PPolyproline II helixtrans-56.8129.6171.7-168.9176.3176.800108.9N66N66-E68 PolarHBondContact O-N 2.91Å
69E81.7Confident77.8Confident53 Ų5393.8 Ų93.825%0.24845%0.447CS..PPolyproline II helixtrans-64.3125.3-178.4-70.6-179.8165.700109.1K67 V71 R121K67-E69 PolarHBondContact O-N 3.34Å; E69-V71 WeakPolarHBondContact O-CG2 3.45Å; E69-V71 PolarHBondContact O-N 3.44Å; E69-R121 IonicContact OE1-CZ 3.69Å; E69-R121 IonicContact OE1-NH1 3.68Å; E69-R121 IonicContact OE1-NH2 2.9Å; E69-R121 PolarHBondContact OE1-NH2 2.79Å; E69-R121 IonicContact OE2-CZ 3.28Å; E69-R121 VanDerWaalsContact OE2-CZ 3.28Å; E69-R121 IonicContact OE2-NH1 2.68Å; E69-R121 PolarHBondContact OE2-NH1 3.11Å; E69-R121 IonicContact OE2-NH2 3.3Å; E69-R121 PolarHBondContact OE2-NH2 3.2Å
70P88.5Confident80Confident50 Ų5084.9 Ų84.933%0.32541%0.409SS..PPolyproline II helixtrans-64.4136.2-174.826.9-35.9000111.2Y72 V115P70-Y72 HydrophobicContact CB-CE2 3.7Å; P70-Y72 WeakPolarHBondContact CB-OH 3.34Å; P70-Y72 HydrophobicContact CG-CE2 3.91Å; P70-V115 WeakPolarHBondContact CD-O 3.47Å
71V91.2Very high82Confident59 Ų5979.9 Ų79.936%0.35840%0.399SS..EExtended strand (participates in β ladder)trans-109.6126.9-174.7-179.80000110.1E69 R112 M114E69-V71 WeakPolarHBondContact O-CG2 3.45Å; E69-V71 PolarHBondContact O-N 3.44Å; V71-R112 HydrophobicContact CG1-CG 3.41Å; V71-R112 VanDerWaalsContact CG1-CG 3.41Å; V71-M114 HydrophobicContact CG2-CG 4.1Å; V71-M114 HydrophobicContact CG2-SD 4.29Å
72Y93.5Very high83.8Confident44 Ų4474.3 Ų74.317%0.17338%0.375CS..EExtended strand (participates in β ladder)trans-122.4131.4-179.5-53.7-85.3000111.3P70 R112 L113 I185P70-Y72 HydrophobicContact CB-CE2 3.7Å; P70-Y72 WeakPolarHBondContact CB-OH 3.34Å; P70-Y72 HydrophobicContact CG-CE2 3.91Å; Y72-R112 CarbonylContact O-C 3.55Å; Y72-R112 WeakPolarHBondContact O-CA 3.31Å; Y72-L113 PolarHBondContact N-O 3.36Å; Y72-L113 PolarHBondContact O-N 3Å; Y72-I185 HydrophobicContact CD1-CD1 3.78Å; Y72-I185 HydrophobicContact CD1-CG1 3.87Å; Y72-I185 HydrophobicContact CD2-CD1 3.96Å; Y72-I185 HydrophobicContact CD2-CG1 3.73Å; Y72-I185 HydrophobicContact CE1-CD1 4.16Å; Y72-I185 HydrophobicContact CE1-CG1 3.73Å; Y72-I185 HydrophobicContact CE2-CD1 4.33Å; Y72-I185 HydrophobicContact CE2-CG1 3.6Å; Y72-I185 HydrophobicContact CG-CD1 3.66Å; Y72-I185 HydrophobicContact CG-CG1 3.85Å
73N94.4Very high85.5Confident130 Ų13074.8 Ų74.870%0.69538%0.383SS*.EExtended strand (participates in β ladder)trans-82.9118.2168-66.5-46.1000108.9
74V95.7Very high86.9Confident7 Ų775.9 Ų75.94%0.04239%0.389CS..EExtended strand (participates in β ladder)trans-130163.3-176.5-56.40000111M111 L113 V174 V176V74-M111 HydrophobicContact CG2-CB 4.39Å; V74-M111 PolarHBondContact N-O 3.46Å; V74-M111 PolarHBondContact O-N 3.17Å; V74-L113 HydrophobicContact CG1-CB 3.95Å; V74-L113 HydrophobicContact CG1-CD2 4.03Å; V74-L113 HydrophobicContact CG2-CB 3.76Å; V74-V174 HydrophobicContact CB-CB 4.16Å; V74-V174 HydrophobicContact CB-CG2 4.39Å; V74-V174 HydrophobicContact CG1-CG2 4.47Å; V74-V174 HydrophobicContact CG2-CB 4.15Å; V74-V174 HydrophobicContact CG2-CG1 4.13Å; V74-V176 HydrophobicContact CG1-CG2 4.12Å
75R95.8Very high88.1Confident111 Ų11172 Ų7242%0.41938%0.377SS..EExtended strand (participates in β ladder)trans-111114.7170.7-71.2-172.8-72.3180-5.3108.9L77 S108 V109 K110 V174 L175R75-L77 PolarHBondContact O-N 3.04Å; R75-S108 WeakPolarHBondContact CD-OG 3.32Å; R75-V109 CarbonylContact C-O 3.53Å; R75-V109 WeakPolarHBondContact CA-O 3.35Å; R75-K110 HydrophobicContact CG-CG 4.26Å; R75-V174 CarbonylContact O-C 3.53Å; R75-V174 WeakPolarHBondContact O-CA 3.38Å; R75-L175 HydrophobicContact CB-CB 4.22Å; R75-L175 PolarHBondContact N-O 2.93Å; R75-L175 VanDerWaalsContact NH2-CD2 3.31Å; R75-L175 PolarHBondContact O-N 2.8Å
76Y96.6Very high89.5Confident34 Ų3474.8 Ų74.813%0.13339%0.385CS..EExtended strand (participates in β ladder)trans-74.7121.4177.5-177.6-110.9000110G78 S79 S108 V109 M111 M122 H172 V174Y76-G78 PolarHBondContact OH-O 2.87Å; Y76-S79 WeakPolarHBondContact OH-CB 3.35Å; Y76-S108 WeakPolarHBondContact O-CA 3.48Å; Y76-S108 WeakPolarHBondContact O-CB 3.26Å; Y76-V109 PolarHBondContact N-O 2.87Å; Y76-V109 PolarHBondContact O-N 3.28Å; Y76-M111 HydrophobicContact CD1-CE 4.27Å; Y76-M111 HydrophobicContact CG-CE 4.45Å; Y76-M111 HydrophobicContact CG-SD 4.21Å; Y76-M122 HydrophobicContact CD2-CE 3.95Å; Y76-M122 HydrophobicContact CD2-SD 4.26Å; Y76-M122 HydrophobicContact CE2-CE 3.98Å; Y76-M122 HydrophobicContact CG-CE 4.5Å; Y76-H172 HydrophobicContact CE2-CB 4.42Å; Y76-H172 AromaticContact CZ-ND1 3.98Å; Y76-H172 PolarHBondContact OH-ND1 3.41Å; Y76-V174 HydrophobicContact CD2-CG1 3.82Å
77L96.5Very high90.7Very high16 Ų1669.3 Ų69.38%0.08437%0.365CS..EExtended strand (participates in β ladder)trans-90.7-26.3-177-60.3176.3000112.1R75 I98 W99 I153 A173 L175R75-L77 PolarHBondContact O-N 3.04Å; L77-I98 HydrophobicContact CB-CG2 3.6Å; L77-W99 HydrophobicContact CD1-CE3 3.96Å; L77-W99 HydrophobicContact CD1-CZ3 4.22Å; L77-W99 HydrophobicContact CD2-CZ3 4.3Å; L77-I153 HydrophobicContact CD1-CD1 4.02Å; L77-I153 HydrophobicContact CD1-CG1 4.25Å; L77-I153 HydrophobicContact CD1-CG2 4.3Å; L77-A173 HydrophobicContact CD1-CB 4.37Å; L77-A173 PolarHBondContact N-O 3.41Å; L77-L175 HydrophobicContact CD1-CB 4.15Å; L77-L175 HydrophobicContact CD2-CB 3.99Å; L77-L175 HydrophobicContact CG-CB 4.11Å
78G95.3Very high91.6Very high16 Ų1670 Ų7017%0.16538%0.376CS..EExtended strand (participates in β ladder)trans131.3-161.5-179.700000113Y76 A173Y76-G78 PolarHBondContact OH-O 2.87Å; G78-A173 PolarHBondContact O-N 2.91Å; G78-A173 VanDerWaalsContact O-N 3.15Å
79S95.8Very high92.1Very high33 Ų3363 Ų6323%0.23135%0.35CS..EExtended strand (participates in β ladder)trans-148.8150.9-176.768.40000112.3Y76 R170 C171 H172Y76-S79 WeakPolarHBondContact OH-CB 3.35Å; S79-R170 WeakPolarHBondContact OG-CD 3.47Å; S79-R170 PolarHBondContact OG-NH1 3.46Å; S79-C171 CarbonylContact C-O 3.51Å; S79-C171 WeakPolarHBondContact CA-O 3.36Å; S79-C171 WeakPolarHBondContact CB-O 3.39Å; S79-H172 WeakPolarHBondContact CB-ND1 3.28Å
80V97Very high92.6Very high14 Ų1461 Ų619%0.08534%0.342CS..EExtended strand (participates in β ladder)trans-138.2146.7176.872.20000109.9A94 I98 R170 C171V80-A94 HydrophobicContact CG1-CB 3.59Å; V80-I98 HydrophobicContact CB-CD1 4.35Å; V80-I98 HydrophobicContact CB-CG1 4.01Å; V80-I98 HydrophobicContact CG1-CD1 3.88Å; V80-I98 HydrophobicContact CG1-CG1 3.87Å; V80-R170 CarbonylContact O-C 3.56Å; V80-R170 WeakPolarHBondContact O-CA 3.41Å; V80-R170 WeakPolarHBondContact O-CG 3.43Å; V80-C171 HydrophobicContact CG1-CB 4.24Å; V80-C171 PolarHBondContact N-O 3.05Å; V80-C171 PolarHBondContact O-N 3.47Å
81V95.9Very high92.9Very high82 Ų8258.8 Ų58.850%0.49733%0.327SS..EExtended strand (participates in β ladder)trans-67.7135.6172.61780000108.5V168 L169V81-V168 HydrophobicContact CG1-CG1 3.76Å; V81-V168 HydrophobicContact CG2-CG1 4.04Å; V81-L169 WeakPolarHBondContact CA-O 3.41Å
82T94.8Very high93Very high19 Ų1959.6 Ų59.612%0.11733%0.327CS..  trans-124.8156.5176.4-173.50000109.5T84 I157 L169 C171T82-T84 PolarHBondContact OG1-N 3.06Å; T82-I157 HydrophobicContact CG2-CD1 4.29Å; T82-I157 HydrophobicContact CG2-CG1 4.44Å; T82-I157 HydrophobicContact CG2-CG2 3.9Å; T82-L169 HydrophobicContact CG2-CB 3.83Å; T82-L169 PolarHBondContact N-O 3.35Å; T82-L169 WeakPolarHBondContact O-CB 3.41Å; T82-C171 HydrophobicContact CG2-CB 4.35Å
83I90.5Very high93.1Very high161 Ų16163.7 Ų63.783%0.82635%0.348SS*.SBendtrans-96.3-31.7177.3-57.4171.5000109.8L169I83-L169 WeakPolarHBondContact O-CD1 3.34Å
84T90.4Very high93.2Very high69 Ų6957.8 Ų57.842%0.42332%0.317SS..  trans-90.1125.1-174.4-490000110.8T82 K86 C90 I157T82-T84 PolarHBondContact OG1-N 3.06Å; T84-K86 VanDerWaalsContact CG2-O 3.28Å; T84-K86 WeakPolarHBondContact CG2-O 3.44Å; T84-C90 HydrophobicContact CG2-CB 3.49Å; T84-C90 VanDerWaalsContact CG2-CB 3.49Å; T84-I157 WeakPolarHBondContact O-CD1 3.19Å
85A89.1Confident93.2Very high32 Ų3257.5 Ų57.526%0.26432%0.315SS..  trans-87.4-28.4-178.800000114.2T142 L169A85-T142 HydrophobicContact CB-CG2 4.3Å; A85-T142 WeakPolarHBondContact O-CB 3.39Å; A85-T142 PolarHBondContact O-OG1 2.84Å; A85-L169 HydrophobicContact CB-CD1 3.65Å; A85-L169 HydrophobicContact CB-CD2 4.31Å
86K89.8Confident93.2Very high161 Ų16154.1 Ų54.170%0.731%0.311SS*.SBendtrans-160.2163-172.162.8176.5-177.1174.60110.4T84T84-K86 VanDerWaalsContact CG2-O 3.28Å; T84-K86 WeakPolarHBondContact CG2-O 3.44Å
87G88.3Confident93.2Very high39 Ų3957.1 Ų57.140%0.40232%0.324SS..SBendtrans115.8167.3177.200000112.3G89 C90G87-G89 PolarHBondContact O-N 3.39Å; G87-C90 WeakPolarHBondContact O-CB 3.25Å; G87-C90 PolarHBondContact O-N 3.37Å; G87-C90 PolarHBondContact O-SG 2.88Å
88D85.4Confident93.2Very high168 Ų16856.6 Ų56.690%0.89832%0.322SS*.THydrogen-bonded Turntrans-65.3134.7-179.3-63.9-32000110.3C90D88-C90 PolarHBondContact O-N 3.4Å
89G88.1Confident93.3Very high26 Ų2658.4 Ų58.427%0.26832%0.324SS..THydrogen-bonded Turntrans72.70.6-178.900000116.1G87 T91 Q92G87-G89 PolarHBondContact O-N 3.39Å; G89-T91 PolarHBondContact O-N 2.84Å; G89-Q92 WeakPolarHBondContact O-CB 3.29Å; G89-Q92 PolarHBondContact O-N 3.3Å
90C92.5Very high93.4Very high11 Ų1159.6 Ų59.67%0.07434%0.336CS..THydrogen-bonded Turntrans-58.3-24.6-175.866.30000114.7T84 G87 D88 Y143 I157T84-C90 HydrophobicContact CG2-CB 3.49Å; T84-C90 VanDerWaalsContact CG2-CB 3.49Å; G87-C90 WeakPolarHBondContact O-CB 3.25Å; G87-C90 PolarHBondContact O-N 3.37Å; G87-C90 PolarHBondContact O-SG 2.88Å; D88-C90 PolarHBondContact O-N 3.4Å; C90-Y143 WeakPolarHBondContact SG-CD1 3.48Å; C90-I157 HydrophobicContact CB-CD1 4.32Å
91T94.8Very high93.3Very high2 Ų267 Ų671%0.01236%0.362CS..THydrogen-bonded Turntrans-96.1-15.317752.50000113.9G89 E93 A94 V95 Y143 A155 I157G89-T91 PolarHBondContact O-N 2.84Å; T91-E93 PolarHBondContact O-N 2.98Å; T91-A94 PolarHBondContact O-N 3.18Å; T91-V95 VanDerWaalsContact O-CB 3.3Å; T91-V95 WeakPolarHBondContact O-CB 3.46Å; T91-V95 WeakPolarHBondContact O-CG2 3.44Å; T91-V95 PolarHBondContact O-N 3.35Å; T91-Y143 HydrophobicContact CG2-CD1 3.53Å; T91-Y143 HydrophobicContact CG2-CE1 3.72Å; T91-A155 HydrophobicContact CG2-CB 4.24Å; T91-I157 HydrophobicContact CG2-CD1 3.83Å; T91-I157 HydrophobicContact CG2-CG1 3.84Å
92Q94.1Very high93.3Very high77 Ų7763.2 Ų63.236%0.3634%0.339SS..Hα-helixtrans-64.1-48.7-167.7-71.71761100112.3G89 V95 A96G89-Q92 WeakPolarHBondContact O-CB 3.29Å; G89-Q92 PolarHBondContact O-N 3.3Å; Q92-V95 PolarHBondContact O-N 2.96Å; Q92-A96 WeakPolarHBondContact O-CB 3.29Å; Q92-A96 PolarHBondContact O-N 3.38Å
93E94.6Very high93.3Very high130 Ų13065.4 Ų65.461%0.60735%0.35SS*.Hα-helixtrans-65.8-42.1179-166.9-164.7155.800111.5T91 A96 K97T91-E93 PolarHBondContact O-N 2.98Å; E93-A96 PolarHBondContact O-N 3.33Å; E93-K97 WeakPolarHBondContact O-CG 3.46Å; E93-K97 PolarHBondContact O-N 3.49Å; E93-K97 WeakPolarHBondContact OE1-CE 3.41Å; E93-K97 IonicContact OE1-NZ 3Å; E93-K97 PolarHBondContact OE1-NZ 2.84Å
94A95.8Very high93.4Very high6 Ų665 Ų655%0.0534%0.339CS..Hα-helixtrans-63.8-42.8178.100000111.8V80 T91 K97 I98 C171V80-A94 HydrophobicContact CG1-CB 3.59Å; T91-A94 PolarHBondContact O-N 3.18Å; A94-K97 PolarHBondContact O-N 3.05Å; A94-I98 VanDerWaalsContact O-CG1 3.29Å; A94-I98 WeakPolarHBondContact O-CG1 3.35Å; A94-I98 PolarHBondContact O-N 3.33Å; A94-C171 HydrophobicContact CB-CB 3.64Å
95V96.5Very high93.4Very high1 Ų161.9 Ų61.91%0.00632%0.321CS..Hα-helixtrans-66-42.2176169.50000110.8T91 Q92 K97 I98 W99 D147 I153 A155T91-V95 VanDerWaalsContact O-CB 3.3Å; T91-V95 WeakPolarHBondContact O-CB 3.46Å; T91-V95 WeakPolarHBondContact O-CG2 3.44Å; T91-V95 PolarHBondContact O-N 3.35Å; Q92-V95 PolarHBondContact O-N 2.96Å; V95-K97 VanDerWaalsContact C-N 3.32Å; V95-K97 PolarHBondContact O-N 3.48Å; V95-I98 PolarHBondContact O-N 2.9Å; V95-W99 VanDerWaalsContact O-CB 3.23Å; V95-W99 WeakPolarHBondContact O-CB 3.48Å; V95-W99 PolarHBondContact O-N 3.4Å; V95-D147 HydrophobicContact CG1-CB 4.14Å; V95-I153 HydrophobicContact CG1-CB 4.48Å; V95-I153 HydrophobicContact CG1-CD1 4.02Å; V95-I153 HydrophobicContact CG1-CG2 3.92Å; V95-A155 HydrophobicContact CG2-CB 3.52Å
96A96Very high93.6Very high39 Ų3967.4 Ų67.432%0.32234%0.342SS..Hα-helixtrans-59-4417600000111.6Q92 E93 W99 A100Q92-A96 WeakPolarHBondContact O-CB 3.29Å; Q92-A96 PolarHBondContact O-N 3.38Å; E93-A96 PolarHBondContact O-N 3.33Å; A96-W99 PolarHBondContact O-N 3.21Å; A96-A100 PolarHBondContact O-N 3Å
97K96.7Very high93.7Very high97 Ų9766.3 Ų66.342%0.42234%0.339SS..Hα-helixtrans-62-45174.8-74.9170.6173.5168.10112.4E93 A94 V95 W99 R101E93-K97 WeakPolarHBondContact O-CG 3.46Å; E93-K97 PolarHBondContact O-N 3.49Å; E93-K97 WeakPolarHBondContact OE1-CE 3.41Å; E93-K97 IonicContact OE1-NZ 3Å; E93-K97 PolarHBondContact OE1-NZ 2.84Å; A94-K97 PolarHBondContact O-N 3.05Å; V95-K97 VanDerWaalsContact C-N 3.32Å; V95-K97 PolarHBondContact O-N 3.48Å; K97-W99 VanDerWaalsContact C-N 3.33Å; K97-R101 WeakPolarHBondContact O-CB 3.38Å; K97-R101 VanDerWaalsContact O-CG 3.24Å; K97-R101 WeakPolarHBondContact O-CG 3.23Å; K97-R101 PolarHBondContact O-N 2.99Å
98I97.1Very high93.9Very high5 Ų565.9 Ų65.93%0.02633%0.33CS..Hα-helixtrans-64.1-42.1177.1-67.1164.2000110.4L77 V80 A94 V95 R101 S102 A173L77-I98 HydrophobicContact CB-CG2 3.6Å; V80-I98 HydrophobicContact CB-CD1 4.35Å; V80-I98 HydrophobicContact CB-CG1 4.01Å; V80-I98 HydrophobicContact CG1-CD1 3.88Å; V80-I98 HydrophobicContact CG1-CG1 3.87Å; A94-I98 VanDerWaalsContact O-CG1 3.29Å; A94-I98 WeakPolarHBondContact O-CG1 3.35Å; A94-I98 PolarHBondContact O-N 3.33Å; V95-I98 PolarHBondContact O-N 2.9Å; I98-R101 PolarHBondContact O-N 3.38Å; I98-S102 WeakPolarHBondContact O-CB 3.39Å; I98-S102 PolarHBondContact O-N 3Å; I98-S102 PolarHBondContact O-OG 3.26Å; I98-A173 HydrophobicContact CD1-CB 3.86Å; I98-A173 HydrophobicContact CG2-CB 4.08Å
99W96.8Very high94.3Very high55 Ų5561.6 Ų61.621%0.20831%0.31CS..Hα-helixtrans-61-48.8-178.7-175-120.9000111.9L77 V95 A96 K97 S102 Y104 I153 L175L77-W99 HydrophobicContact CD1-CE3 3.96Å; L77-W99 HydrophobicContact CD1-CZ3 4.22Å; L77-W99 HydrophobicContact CD2-CZ3 4.3Å; V95-W99 VanDerWaalsContact O-CB 3.23Å; V95-W99 WeakPolarHBondContact O-CB 3.48Å; V95-W99 PolarHBondContact O-N 3.4Å; A96-W99 PolarHBondContact O-N 3.21Å; K97-W99 VanDerWaalsContact C-N 3.33Å; W99-S102 PolarHBondContact O-N 3.13Å; W99-S102 PolarHBondContact O-OG 3.23Å; W99-Y104 AromaticContact CD1-CD1 3.81Å; W99-Y104 AromaticContact CE2-CD1 3.83Å; W99-Y104 WeakPolarHBondContact CH2-O 3.35Å; W99-Y104 HydrophobicContact CZ2-CD1 4.28Å; W99-Y104 WeakPolarHBondContact CZ2-O 3.28Å; W99-Y104 AromaticContact NE1-CD1 3.29Å; W99-Y104 VanDerWaalsContact NE1-CD1 3.29Å; W99-Y104 AromaticContact NE1-CE1 3.95Å; W99-Y104 PolarHBondContact O-N 2.92Å; W99-Y104 VanDerWaalsContact O-N 3.1Å; W99-I153 HydrophobicContact CD2-CD1 4.04Å; W99-I153 HydrophobicContact CE3-CD1 3.69Å; W99-I153 HydrophobicContact CG-CD1 4.49Å; W99-I153 HydrophobicContact CZ3-CD1 4.16Å; W99-L175 HydrophobicContact CZ3-CD2 4.34Å
100A96.5Very high94.6Very high58 Ų5868.2 Ų68.248%0.47933%0.331SS..Hα-helixtrans-61.2-44.7174.400000112A96 S102 N103A96-A100 PolarHBondContact O-N 3Å; A100-S102 VanDerWaalsContact C-N 3.28Å; A100-S102 PolarHBondContact O-N 2.91Å; A100-N103 PolarHBondContact O-N 3.21Å
101R96.4Very high94.6Very high168 Ų16868.6 Ų68.663%0.63433%0.332SS*.Hα-helixtrans-63.5-31.1177.9-75.4175.5-178.1-172.4-0.7113.6K97 I98 N103K97-R101 WeakPolarHBondContact O-CB 3.38Å; K97-R101 VanDerWaalsContact O-CG 3.24Å; K97-R101 WeakPolarHBondContact O-CG 3.23Å; K97-R101 PolarHBondContact O-N 2.99Å; I98-R101 PolarHBondContact O-N 3.38Å; R101-N103 PolarHBondContact O-N 3.16Å
102S94.9Very high94.6Very high3 Ų371.1 Ų71.12%0.02134%0.341CS..THydrogen-bonded Turntrans-819.6179.469.30000114I98 W99 A100 Y104 G105 E106 Q107I98-S102 WeakPolarHBondContact O-CB 3.39Å; I98-S102 PolarHBondContact O-N 3Å; I98-S102 PolarHBondContact O-OG 3.26Å; W99-S102 PolarHBondContact O-N 3.13Å; W99-S102 PolarHBondContact O-OG 3.23Å; A100-S102 VanDerWaalsContact C-N 3.28Å; A100-S102 PolarHBondContact O-N 2.91Å; S102-Y104 VanDerWaalsContact C-N 3.32Å; S102-Y104 PolarHBondContact O-N 3.32Å; S102-G105 PolarHBondContact O-N 3.4Å; S102-G105 VanDerWaalsContact O-N 3.12Å; S102-G105 PolarHBondContact OG-N 2.74Å; S102-E106 PolarHBondContact O-N 2.87Å; S102-Q107 PolarHBondContact O-N 3.18Å
103N95.4Very high94.6Very high66 Ų6667.4 Ų67.435%0.35332%0.324SS..THydrogen-bonded Turntrans45.755.7-168.1-161.937.1000111.8A100 R101 G105 E106 Q107A100-N103 PolarHBondContact O-N 3.21Å; R101-N103 PolarHBondContact O-N 3.16Å; N103-G105 PolarHBondContact O-N 3.46Å; N103-G105 VanDerWaalsContact O-N 3.14Å; N103-E106 HydrophobicContact CB-CB 4.33Å; N103-E106 PolarHBondContact ND2-OE2 2.86Å; N103-E106 WeakPolarHBondContact O-CB 3.47Å; N103-E106 WeakPolarHBondContact O-CG 3.1Å; N103-E106 PolarHBondContact O-N 2.93Å; N103-Q107 HydrophobicContact CB-CG 4.31Å
104Y93.1Very high94.5Very high151 Ų15162.6 Ų62.659%0.59230%0.302SS*.THydrogen-bonded Turntrans56.634.6179-52.4-88.1000113.8W99 S102W99-Y104 AromaticContact CD1-CD1 3.81Å; W99-Y104 AromaticContact CE2-CD1 3.83Å; W99-Y104 WeakPolarHBondContact CH2-O 3.35Å; W99-Y104 HydrophobicContact CZ2-CD1 4.28Å; W99-Y104 WeakPolarHBondContact CZ2-O 3.28Å; W99-Y104 AromaticContact NE1-CD1 3.29Å; W99-Y104 VanDerWaalsContact NE1-CD1 3.29Å; W99-Y104 AromaticContact NE1-CE1 3.95Å; W99-Y104 PolarHBondContact O-N 2.92Å; W99-Y104 VanDerWaalsContact O-N 3.1Å; S102-Y104 VanDerWaalsContact C-N 3.32Å; S102-Y104 PolarHBondContact O-N 3.32Å
105G89.8Confident94.4Very high5 Ų562.3 Ų62.35%0.05230%0.3CS..THydrogen-bonded Turntrans89.61.5175.300000115.5S102 N103 S108S102-G105 PolarHBondContact O-N 3.4Å; S102-G105 VanDerWaalsContact O-N 3.12Å; S102-G105 PolarHBondContact OG-N 2.74Å; N103-G105 PolarHBondContact O-N 3.46Å; N103-G105 VanDerWaalsContact O-N 3.14Å; G105-S108 WeakPolarHBondContact O-CB 3.44Å; G105-S108 PolarHBondContact O-OG 3.09Å
106E92.3Very high94Very high147 Ų14762.5 Ų62.569%0.68730%0.301SS*.THydrogen-bonded Turntrans-67.2-46172.2-68-179.3-174.900111.3S102 N103 S108S102-E106 PolarHBondContact O-N 2.87Å; N103-E106 HydrophobicContact CB-CB 4.33Å; N103-E106 PolarHBondContact ND2-OE2 2.86Å; N103-E106 WeakPolarHBondContact O-CB 3.47Å; N103-E106 WeakPolarHBondContact O-CG 3.1Å; N103-E106 PolarHBondContact O-N 2.93Å; E106-S108 VanDerWaalsContact C-N 3.32Å; E106-S108 PolarHBondContact O-N 3.4Å
107Q92.8Very high93.6Very high138 Ų13864 Ų6465%0.64531%0.31SS*.SBendtrans-84.776.4176.2-62-175.4-200109.7S102 N103S102-Q107 PolarHBondContact O-N 3.18Å; N103-Q107 HydrophobicContact CB-CG 4.31Å
108S93.1Very high93.1Very high31 Ų3165.2 Ų65.222%0.21732%0.317CS..  trans-138148-178.864.90000113.5R75 Y76 G105 E106R75-S108 WeakPolarHBondContact CD-OG 3.32Å; Y76-S108 WeakPolarHBondContact O-CA 3.48Å; Y76-S108 WeakPolarHBondContact O-CB 3.26Å; G105-S108 WeakPolarHBondContact O-CB 3.44Å; G105-S108 PolarHBondContact O-OG 3.09Å; E106-S108 VanDerWaalsContact C-N 3.32Å; E106-S108 PolarHBondContact O-N 3.4Å
109V93.6Very high92.9Very high78 Ų7865 Ų6547%0.47332%0.316SS..EExtended strand (participates in β ladder)trans-102.1123.2-178.1-176.90000109.6R75 Y76 M111R75-V109 CarbonylContact C-O 3.53Å; R75-V109 WeakPolarHBondContact CA-O 3.35Å; Y76-V109 PolarHBondContact N-O 2.87Å; Y76-V109 PolarHBondContact O-N 3.28Å; V109-M111 HydrophobicContact CB-CE 4.17Å; V109-M111 HydrophobicContact CG1-CE 3.8Å; V109-M111 HydrophobicContact CG1-CG 4.16Å; V109-M111 PolarHBondContact O-N 3.48Å
110K93.5Very high92.8Very high165 Ų16562.5 Ų62.572%0.71731%0.306SS*.EExtended strand (participates in β ladder)trans-66.7123.8174.8-67.1178.6-176.5173.40109.5R75R75-K110 HydrophobicContact CG-CG 4.26Å
111M93.8Very high92.7Very high19 Ų1962.4 Ų62.49%0.09429%0.294CS..EExtended strand (participates in β ladder)trans-138.1154.9-180-67-170.2177.700110.9V74 Y76 V109 M122 S123V74-M111 HydrophobicContact CG2-CB 4.39Å; V74-M111 PolarHBondContact N-O 3.46Å; V74-M111 PolarHBondContact O-N 3.17Å; Y76-M111 HydrophobicContact CD1-CE 4.27Å; Y76-M111 HydrophobicContact CG-CE 4.45Å; Y76-M111 HydrophobicContact CG-SD 4.21Å; V109-M111 HydrophobicContact CB-CE 4.17Å; V109-M111 HydrophobicContact CG1-CE 3.8Å; V109-M111 HydrophobicContact CG1-CG 4.16Å; V109-M111 PolarHBondContact O-N 3.48Å; M111-M122 HydrophobicContact SD-CB 4.23Å; M111-M122 HydrophobicContact SD-CE 3.98Å; M111-M122 HydrophobicContact SD-SD 4.47Å; M111-S123 WeakPolarHBondContact CA-O 3.47Å
112R93Very high92.5Very high54 Ų5454.4 Ų54.420%0.20426%0.264CS..EExtended strand (participates in β ladder)trans-94.6124.3168.2179.3-176.8163172.13.2108.5V71 Y72 M114 M122 S123V71-R112 HydrophobicContact CG1-CG 3.41Å; V71-R112 VanDerWaalsContact CG1-CG 3.41Å; Y72-R112 CarbonylContact O-C 3.55Å; Y72-R112 WeakPolarHBondContact O-CA 3.31Å; R112-M114 PolarHBondContact NH2-SD 2.87Å; R112-M122 CarbonylContact O-C 3.52Å; R112-M122 WeakPolarHBondContact O-CA 3.45Å; R112-S123 PolarHBondContact N-O 3.33Å; R112-S123 PolarHBondContact O-N 2.91Å
113L94.3Very high92.4Very high0 Ų054.5 Ų54.50%026%0.264CS..EExtended strand (participates in β ladder)trans-106.4126.2178.5-174.275.4000109Y72 V74 I120 R121 M122 L154 I185Y72-L113 PolarHBondContact N-O 3.36Å; Y72-L113 PolarHBondContact O-N 3Å; V74-L113 HydrophobicContact CG1-CB 3.95Å; V74-L113 HydrophobicContact CG1-CD2 4.03Å; V74-L113 HydrophobicContact CG2-CB 3.76Å; L113-I120 HydrophobicContact CD1-CG2 3.2Å; L113-I120 HydrophobicContact CG-CG2 4.23Å; L113-R121 WeakPolarHBondContact CA-O 3.48Å; L113-M122 HydrophobicContact CD1-CG 3.71Å; L113-M122 HydrophobicContact CD1-SD 4.12Å; L113-L154 HydrophobicContact CD2-CD2 4.05Å; L113-I185 HydrophobicContact CD2-CD1 4.31Å; L113-I185 HydrophobicContact CD2-CG2 4.09Å
114M93.6Very high91.9Very high29 Ų2953.7 Ų53.714%0.14327%0.267CS..EExtended strand (participates in β ladder)trans-119133.6173.2-61.6-178.3-68.300109.2V71 R112 I120 R121V71-M114 HydrophobicContact CG2-CG 4.1Å; V71-M114 HydrophobicContact CG2-SD 4.29Å; R112-M114 PolarHBondContact NH2-SD 2.87Å; M114-I120 WeakPolarHBondContact O-CA 3.4Å; M114-R121 HydrophobicContact CB-CB 4.36Å; M114-R121 HydrophobicContact CE-CB 4.08Å; M114-R121 PolarHBondContact N-O 3.03Å; M114-R121 PolarHBondContact O-N 2.69Å
115V93.1Very high91.3Very high0 Ų048.5 Ų48.50%025%0.249CC..EExtended strand (participates in β ladder)trans-116.3120.6178.7174.60000108.9P70 I185 L189P70-V115 WeakPolarHBondContact CD-O 3.47Å; V115-I185 HydrophobicContact CG2-CG2 3.69Å; V115-L189 HydrophobicContact CG1-CB 3.97Å; V115-L189 HydrophobicContact CG1-CD1 3.69Å; V115-L189 HydrophobicContact CG1-CG 4.47Å
116G89.3Confident90.3Very high4 Ų457.2 Ų57.24%0.04129%0.286CS..EExtended strand (participates in β ladder)trans-144.4-171.1-177.300000112.9Q118 G119 N192G116-Q118 PolarHBondContact O-N 2.77Å; G116-G119 PolarHBondContact N-O 3.44Å; G116-G119 PolarHBondContact O-N 2.73Å; G116-G119 VanDerWaalsContact O-N 3.1Å; G116-N192 VanDerWaalsContact C-ND2 3.32Å; G116-N192 WeakPolarHBondContact CA-ND2 3.43Å; G116-N192 PolarHBondContact O-ND2 2.93Å
117S86.7Confident89.1Confident71 Ų7153.5 Ų53.550%0.49728%0.276SS..THydrogen-bonded Turntrans-67-19.6179.859.80000113.7L138S117-L138 WeakPolarHBondContact O-CD1 3.27Å
118Q87Confident87.8Confident123 Ų12348.8 Ų48.858%0.57527%0.265SS*.THydrogen-bonded Turntrans-87-19.1175.1-59.9-59.6-30.900112.5G116 S137 L138G116-Q118 PolarHBondContact O-N 2.77Å; Q118-S137 WeakPolarHBondContact O-CA 3.32Å; Q118-L138 PolarHBondContact O-N 3Å
119G92.5Very high86.4Confident0 Ų056.2 Ų56.20%029%0.293CS..EExtended strand (participates in β ladder)trans125.7-141.6-178.900000112.8G116 Y136 L138G116-G119 PolarHBondContact N-O 3.44Å; G116-G119 PolarHBondContact O-N 2.73Å; G116-G119 VanDerWaalsContact O-N 3.1Å; G119-Y136 WeakPolarHBondContact CA-O 3.21Å; G119-L138 VanDerWaalsContact CA-CG 3.48Å
120I95.1Very high85.4Confident2 Ų259.8 Ų59.81%0.0130%0.302CS..EExtended strand (participates in β ladder)trans-102.2127.3-176.7-56.7175.5000109.1L113 M114 M122 Y136 I141 W156 L189L113-I120 HydrophobicContact CD1-CG2 3.2Å; L113-I120 HydrophobicContact CG-CG2 4.23Å; M114-I120 WeakPolarHBondContact O-CA 3.4Å; I120-M122 HydrophobicContact CG2-CG 4.24Å; I120-Y136 HydrophobicContact CB-CD2 4.19Å; I120-Y136 HydrophobicContact CG2-CD2 4.2Å; I120-Y136 PolarHBondContact N-O 3.18Å; I120-Y136 PolarHBondContact O-N 2.97Å; I120-I141 HydrophobicContact CD1-CD1 3.88Å; I120-I141 HydrophobicContact CG1-CD1 3.96Å; I120-W156 HydrophobicContact CD1-CD2 3.76Å; I120-W156 HydrophobicContact CD1-CE3 4.18Å; I120-W156 HydrophobicContact CD1-CG 3.92Å; I120-L189 HydrophobicContact CD1-CD1 4.33Å; I120-L189 HydrophobicContact CD1-CD2 3.79Å; I120-L189 HydrophobicContact CG1-CD1 3.69Å; I120-L189 HydrophobicContact CG1-CD2 4.1Å
121R93.8Very high84.4Confident57 Ų5761.1 Ų61.122%0.21531%0.308CS..EExtended strand (participates in β ladder)trans-114.6130.6170.9-53.1-170.3-158.611817.4109.4E69 L113 M114 P132 L135E69-R121 IonicContact OE1-CZ 3.69Å; E69-R121 IonicContact OE1-NH1 3.68Å; E69-R121 IonicContact OE1-NH2 2.9Å; E69-R121 PolarHBondContact OE1-NH2 2.79Å; E69-R121 IonicContact OE2-CZ 3.28Å; E69-R121 VanDerWaalsContact OE2-CZ 3.28Å; E69-R121 IonicContact OE2-NH1 2.68Å; E69-R121 PolarHBondContact OE2-NH1 3.11Å; E69-R121 IonicContact OE2-NH2 3.3Å; E69-R121 PolarHBondContact OE2-NH2 3.2Å; L113-R121 WeakPolarHBondContact CA-O 3.48Å; M114-R121 HydrophobicContact CB-CB 4.36Å; M114-R121 HydrophobicContact CE-CB 4.08Å; M114-R121 PolarHBondContact N-O 3.03Å; M114-R121 PolarHBondContact O-N 2.69Å; R121-P132 HydrophobicContact CB-CB 4.14Å; R121-L135 HydrophobicContact CG-CD1 3.66Å
122M93Very high83.6Confident0 Ų062.9 Ų62.90%032%0.321CS..EExtended strand (participates in β ladder)trans-116.6131174.4-51.7-164.9-47.700110.5Y76 M111 R112 L113 I120 P132 I133 H134 Y136 W156Y76-M122 HydrophobicContact CD2-CE 3.95Å; Y76-M122 HydrophobicContact CD2-SD 4.26Å; Y76-M122 HydrophobicContact CE2-CE 3.98Å; Y76-M122 HydrophobicContact CG-CE 4.5Å; M111-M122 HydrophobicContact SD-CB 4.23Å; M111-M122 HydrophobicContact SD-CE 3.98Å; M111-M122 HydrophobicContact SD-SD 4.47Å; R112-M122 CarbonylContact O-C 3.52Å; R112-M122 WeakPolarHBondContact O-CA 3.45Å; L113-M122 HydrophobicContact CD1-CG 3.71Å; L113-M122 HydrophobicContact CD1-SD 4.12Å; I120-M122 HydrophobicContact CG2-CG 4.24Å; M122-P132 CarbonylContact O-C 3.6Å; M122-I133 PolarHBondContact O-N 3.18Å; M122-H134 HydrophobicContact CB-CB 4.25Å; M122-H134 HydrophobicContact CE-CB 3.88Å; M122-H134 PolarHBondContact N-O 3.28Å; M122-H134 PolarHBondContact O-N 3.37Å; M122-H134 VanDerWaalsContact O-N 3.17Å; M122-Y136 HydrophobicContact CE-CE2 3.73Å; M122-Y136 HydrophobicContact CG-CE2 4.25Å; M122-Y136 HydrophobicContact SD-CE2 4.04Å; M122-W156 HydrophobicContact SD-CH2 3.73Å; M122-W156 HydrophobicContact SD-CZ2 3.96Å
123S91.5Very high83.2Confident4 Ų464.8 Ų64.83%0.02833%0.334CS..EExtended strand (participates in β ladder)trans-129.4137.2173.763.30000110.8M111 R112 D125M111-S123 WeakPolarHBondContact CA-O 3.47Å; R112-S123 PolarHBondContact N-O 3.33Å; R112-S123 PolarHBondContact O-N 2.91Å; S123-D125 VanDerWaalsContact C-N 3.31Å; S123-D125 PolarHBondContact OG-O 2.87Å
124A86.1Confident83Confident50 Ų5068.3 Ų68.341%0.41335%0.35SS..SBendtrans-79.7-18.9170.700000112.2I133A124-I133 HydrophobicContact CB-CD1 3.37Å
125D79.2Confident83Confident42 Ų4271.3 Ų71.323%0.22537%0.367CS..  trans-77.8132178.9-169.52.8000111.4S123 S127 K130S123-D125 VanDerWaalsContact C-N 3.31Å; S123-D125 PolarHBondContact OG-O 2.87Å; D125-S127 WeakPolarHBondContact OD1-CB 3.44Å; D125-S127 PolarHBondContact OD1-N 3.48Å; D125-K130 HydrophobicContact CB-CB 4.23Å; D125-K130 HydrophobicContact CB-CD 4.28Å; D125-K130 WeakPolarHBondContact OD2-CD 3.34Å; D125-K130 VanDerWaalsContact OD2-CG 3.27Å; D125-K130 WeakPolarHBondContact OD2-CG 3.05Å
126K70.3Confident83.1Confident188 Ų18871.8 Ų71.882%0.81737%0.368SS*.SBendtrans-76-27.9174.2-62.2-178.3-177.7176.60111.8G128K126-G128 VanDerWaalsContact C-N 3.33Å; K126-G128 PolarHBondContact O-N 2.9Å
127S65.9Low83.3Confident68 Ų6873.4 Ų73.448%0.47638%0.379SS..SBendtrans-74.4-20.2-174.4-166.50000113.3D125 K129D125-S127 WeakPolarHBondContact OD1-CB 3.44Å; D125-S127 PolarHBondContact OD1-N 3.48Å; S127-K129 PolarHBondContact O-N 3.48Å; S127-K129 VanDerWaalsContact O-N 3.08Å
128G64.6Low83.6Confident40 Ų4071.2 Ų71.241%0.41236%0.361SS..SBendtrans68.50.3-179.300000115.1K126K126-G128 VanDerWaalsContact C-N 3.33Å; K126-G128 PolarHBondContact O-N 2.9Å
129K65.2Low83.9Confident186 Ų18670.7 Ų70.781%0.80936%0.363SS*.  trans-79.1-23.2179.7-61.9-176.7-175.8-174.80112.9S127S127-K129 PolarHBondContact O-N 3.48Å; S127-K129 VanDerWaalsContact O-N 3.08Å
130K72.1Confident84Confident154 Ų15474.2 Ų74.267%0.6738%0.376SS*.SBendtrans-88.3146.2179.2-66.6-179-174.4-179.20111.2D125D125-K130 HydrophobicContact CB-CB 4.23Å; D125-K130 HydrophobicContact CB-CD 4.28Å; D125-K130 WeakPolarHBondContact OD2-CD 3.34Å; D125-K130 VanDerWaalsContact OD2-CG 3.27Å; D125-K130 WeakPolarHBondContact OD2-CG 3.05Å
131K72.7Confident84Confident193 Ų19375.3 Ų75.384%0.83938%0.382SS*.PPolyproline II helixtrans-53.6141.9174.3-70-178.4179.1176.90110.2I133K131-I133 PolarHBondContact O-N 3.45Å
132P77.4Confident84.1Confident56 Ų5674.5 Ų74.536%0.36438%0.383SS..PPolyproline II helixtrans-60.3139.7177.626.7-34.1000109.9R121 M122R121-P132 HydrophobicContact CB-CB 4.14Å; M122-P132 CarbonylContact O-C 3.6Å
133I83.8Confident84.2Confident94 Ų9477.7 Ų77.748%0.48240%0.396SS..SBendtrans-73.6-38-178-58.5179.5000109.8M122 A124 K131M122-I133 PolarHBondContact O-N 3.18Å; A124-I133 HydrophobicContact CB-CD1 3.37Å; K131-I133 PolarHBondContact O-N 3.45Å
134H90Very high84.3Confident73 Ų7378.9 Ų78.934%0.33840%0.404SS..EExtended strand (participates in β ladder)trans-131.1132.1178.9-56-61.6000110.7M122 Y136M122-H134 HydrophobicContact CB-CB 4.25Å; M122-H134 HydrophobicContact CE-CB 3.88Å; M122-H134 PolarHBondContact N-O 3.28Å; M122-H134 PolarHBondContact O-N 3.37Å; M122-H134 VanDerWaalsContact O-N 3.17Å; H134-Y136 HydrophobicContact CB-CE2 3.85Å
135L93.1Very high84.8Confident93 Ų9377.3 Ų77.349%0.48739%0.391SS..EExtended strand (participates in β ladder)trans-121.1118.1175.1176.267.2000108.7R121R121-L135 HydrophobicContact CG-CD1 3.66Å
136Y95.1Very high85.6Confident10 Ų1076.3 Ų76.34%0.03939%0.388CS..EExtended strand (participates in β ladder)trans-109.9105.9173.4-54.4-82000109.2G119 I120 M122 H134 W156 Y158 H172G119-Y136 WeakPolarHBondContact CA-O 3.21Å; I120-Y136 HydrophobicContact CB-CD2 4.19Å; I120-Y136 HydrophobicContact CG2-CD2 4.2Å; I120-Y136 PolarHBondContact N-O 3.18Å; I120-Y136 PolarHBondContact O-N 2.97Å; M122-Y136 HydrophobicContact CE-CE2 3.73Å; M122-Y136 HydrophobicContact CG-CE2 4.25Å; M122-Y136 HydrophobicContact SD-CE2 4.04Å; H134-Y136 HydrophobicContact CB-CE2 3.85Å; Y136-W156 AromaticContact CD1-NE1 3.89Å; Y136-W156 AromaticContact CD2-CZ2 3.94Å; Y136-W156 HydrophobicContact CD2-CZ2 3.94Å; Y136-W156 AromaticContact CD2-NE1 3.86Å; Y136-W156 AromaticContact CE2-CZ2 3.61Å; Y136-W156 HydrophobicContact CE2-CZ2 3.61Å; Y136-W156 AromaticContact CG-NE1 3.75Å; Y136-Y158 AromaticContact CD1-CD1 3.85Å; Y136-Y158 HydrophobicContact CD1-CD1 3.85Å; Y136-Y158 AromaticContact CD1-CD2 3.66Å; Y136-Y158 HydrophobicContact CD1-CD2 3.66Å; Y136-Y158 HydrophobicContact CD1-CE1 4.03Å; Y136-Y158 AromaticContact CD1-CE2 3.88Å; Y136-Y158 HydrophobicContact CD1-CE2 3.88Å; Y136-Y158 AromaticContact CD1-CG 3.61Å; Y136-Y158 HydrophobicContact CD1-CG 3.61Å; Y136-Y158 HydrophobicContact CE1-CD1 4.33Å; Y136-Y158 HydrophobicContact CE1-CG 4.31Å; Y136-Y158 HydrophobicContact CG-CD2 4.21Å; Y136-Y158 HydrophobicContact CG-CE2 4.29Å; Y136-H172 AromaticContact CE1-CD2 3.9Å; Y136-H172 AromaticContact CE1-CE1 3.85Å; Y136-H172 AromaticContact CE1-NE2 3.58Å; Y136-H172 AromaticContact CZ-CE1 3.92Å; Y136-H172 AromaticContact CZ-ND1 4Å; Y136-H172 PolarHBondContact OH-CE1 2.94Å; Y136-H172 VanDerWaalsContact OH-CE1 3.28Å; Y136-H172 PolarHBondContact OH-ND1 3.24Å
137S94.4Very high86.7Confident38 Ų3867.4 Ų67.427%0.26635%0.35SS..EExtended strand (participates in β ladder)trans-69.5139.2179.6-56.40000111.9Q118 N139 R140 I141Q118-S137 WeakPolarHBondContact O-CA 3.32Å; S137-N139 WeakPolarHBondContact CB-OD1 3.37Å; S137-N139 PolarHBondContact O-N 2.91Å; S137-R140 PolarHBondContact O-N 3.39Å; S137-I141 PolarHBondContact O-N 3.47Å
138L93.6Very high88Confident24 Ų2468.7 Ų68.713%0.12636%0.356CS..G310 helixtrans-53.6-39.5179.5-70.7177.6000113S117 Q118 G119 R140 I141 L189 N192 A193 A196S117-L138 WeakPolarHBondContact O-CD1 3.27Å; Q118-L138 PolarHBondContact O-N 3Å; G119-L138 VanDerWaalsContact CA-CG 3.48Å; L138-R140 PolarHBondContact O-N 3.47Å; L138-R140 VanDerWaalsContact O-N 3.07Å; L138-I141 PolarHBondContact O-N 3.37Å; L138-L189 HydrophobicContact CD2-CD1 3.51Å; L138-L189 HydrophobicContact CD2-CG 4.14Å; L138-N192 HydrophobicContact CD1-CB 4.39Å; L138-A193 HydrophobicContact CD2-CB 4.3Å; L138-A196 HydrophobicContact CD1-CB 3.97Å
139N92.9Very high89.3Confident113 Ų11370.8 Ų70.860%0.60436%0.364SS*.G310 helixtrans-62.5-17-178.266.6-10.9000113.9S137 R159S137-N139 WeakPolarHBondContact CB-OD1 3.37Å; S137-N139 PolarHBondContact O-N 2.91Å; N139-R159 PolarHBondContact O-NH2 3.21Å
140R94.7Very high90.7Very high73 Ų7364.8 Ų64.828%0.27534%0.336SS..G310 helixtrans-110.2-9.6-179-72.4175.2-173-149.45113.3S137 L138 Y158 R159 Q161S137-R140 PolarHBondContact O-N 3.39Å; L138-R140 PolarHBondContact O-N 3.47Å; L138-R140 VanDerWaalsContact O-N 3.07Å; R140-Y158 HydrophobicContact CB-CD2 3.92Å; R140-Y158 HydrophobicContact CB-CE1 4.44Å; R140-Y158 HydrophobicContact CB-CE2 3.34Å; R140-Y158 VanDerWaalsContact CD-OH 3.28Å; R140-Y158 WeakPolarHBondContact CD-OH 3.42Å; R140-Y158 HydrophobicContact CG-CE2 4.44Å; R140-R159 HydrophobicContact CB-CB 4.34Å; R140-R159 PolarHBondContact O-N 2.96Å; R140-Q161 VanDerWaalsContact CZ-OE1 3.29Å; R140-Q161 VanDerWaalsContact NH1-CD 3.29Å
141I95.4Very high91.8Very high26 Ų2660.2 Ų60.213%0.13332%0.322CS..EExtended strand (participates in β ladder)trans-79.4122.9172.5-62.9169.3000107.6I120 S137 L138 C144 W156 I157 Y158 L189I120-I141 HydrophobicContact CD1-CD1 3.88Å; I120-I141 HydrophobicContact CG1-CD1 3.96Å; S137-I141 PolarHBondContact O-N 3.47Å; L138-I141 PolarHBondContact O-N 3.37Å; I141-C144 HydrophobicContact CG2-CB 4.5Å; I141-W156 HydrophobicContact CG2-CB 4.36Å; I141-I157 WeakPolarHBondContact CA-O 3.16Å; I141-Y158 HydrophobicContact CG1-CD2 3.74Å; I141-Y158 HydrophobicContact CG1-CE2 4.26Å; I141-L189 HydrophobicContact CD1-CD2 4.28Å; I141-L189 HydrophobicContact CG2-CD2 4.46Å
142T94.7Very high92.9Very high40 Ų4056.4 Ų56.425%0.24531%0.305CS..EExtended strand (participates in β ladder)trans-95.1-33.1-179.452.50000112.7A85 I157 R159A85-T142 HydrophobicContact CB-CG2 4.3Å; A85-T142 WeakPolarHBondContact O-CB 3.39Å; A85-T142 PolarHBondContact O-OG1 2.84Å; T142-I157 PolarHBondContact N-O 3.48Å; T142-I157 WeakPolarHBondContact OG1-CB 3.08Å; T142-I157 VanDerWaalsContact OG1-CG2 3.27Å; T142-I157 WeakPolarHBondContact OG1-CG2 3.4Å; T142-I157 PolarHBondContact OG1-O 3.36Å; T142-R159 HydrophobicContact CG2-CG 3.85Å
143Y95.1Very high93.9Very high66 Ų6653.8 Ų53.826%0.25929%0.288SS..EExtended strand (participates in β ladder)trans-152144.1-175.9-174.7-102.1000110C90 T91 A145 W156 I157C90-Y143 WeakPolarHBondContact SG-CD1 3.48Å; T91-Y143 HydrophobicContact CG2-CD1 3.53Å; T91-Y143 HydrophobicContact CG2-CE1 3.72Å; Y143-A145 HydrophobicContact CE1-CB 3.61Å; Y143-A145 WeakPolarHBondContact OH-CB 3.28Å; Y143-W156 CarbonylContact O-C 3.59Å; Y143-W156 WeakPolarHBondContact O-CA 3.49Å; Y143-W156 WeakPolarHBondContact O-CB 3.41Å; Y143-I157 HydrophobicContact CD1-CD1 4.46Å; Y143-I157 PolarHBondContact O-N 3.03Å
144C94.9Very high94.5Very high29 Ų2949.4 Ų49.420%0.19627%0.266CS..EExtended strand (participates in β ladder)trans-149.3127.9173.7-178.60000109.7I141 A155 W156 L189I141-C144 HydrophobicContact CG2-CB 4.5Å; C144-A155 WeakPolarHBondContact CA-O 3.34Å; C144-W156 HydrophobicContact CB-CB 3.93Å; C144-L189 HydrophobicContact CB-CD2 3.6Å; C144-L189 VanDerWaalsContact SG-CD2 3.54Å
145A95.1Very high94.8Very high17 Ų1745.9 Ų45.914%0.1425%0.25CC..EExtended strand (participates in β ladder)trans-157.3159179.100000111.2Y143 A155Y143-A145 HydrophobicContact CE1-CB 3.61Å; Y143-A145 WeakPolarHBondContact OH-CB 3.28Å; A145-A155 PolarHBondContact N-O 3.21Å; A145-A155 PolarHBondContact O-N 2.92Å; A145-A155 VanDerWaalsContact O-O 3.12Å
146A95.9Very high95Very high21 Ų2141.5 Ų41.517%0.17423%0.227CC..EExtended strand (participates in β ladder)trans-74.614016200000109.2P148 I153 A182 Q183A146-P148 WeakPolarHBondContact O-CD 3.31Å; A146-I153 WeakPolarHBondContact CA-O 2.85Å; A146-A182 HydrophobicContact CB-CB 4.1Å; A146-Q183 HydrophobicContact CB-CG 3.97Å
147D94.9Very high95.1Very high2 Ų241 Ų411%0.01123%0.225CC..  trans-69.3126.8-179-176.757.3000110.7V95 C149 R150 P151 I153V95-D147 HydrophobicContact CG1-CB 4.14Å; D147-C149 VanDerWaalsContact C-N 3.33Å; D147-C149 PolarHBondContact O-N 3Å; D147-R150 HydrophobicContact CB-CB 4.48Å; D147-R150 CarbonylContact O-C 3.14Å; D147-R150 PolarHBondContact O-N 3.5Å; D147-R150 IonicContact OD1-NH2 2.62Å; D147-R150 WeakPolarHBondContact OD2-CB 3.4Å; D147-R150 IonicContact OD2-CZ 2.76Å; D147-R150 PolarHBondContact OD2-N 2.75Å; D147-R150 IonicContact OD2-NE 3.57Å; D147-R150 PolarHBondContact OD2-NE 2.86Å; D147-R150 IonicContact OD2-NH2 2.8Å; D147-R150 PolarHBondContact OD2-NH2 2.95Å; D147-P151 VanDerWaalsContact O-CA 3.31Å; D147-P151 WeakPolarHBondContact O-CA 3.5Å; D147-I153 HydrophobicContact CB-CB 4.32Å; D147-I153 PolarHBondContact N-O 3.37Å
148P92.6Very high95.2Very high94 Ų9440 Ų4061%0.6122%0.215SC*.SBendtrans-61.3-39.2-178.9-25.434.8000113.2A146A146-P148 WeakPolarHBondContact O-CD 3.31Å
149C92.6Very high95.3Very high85 Ų8543.3 Ų43.357%0.57423%0.226SC*.SBendtrans-77.3-30.1-179-55.60000112.4D147D147-C149 VanDerWaalsContact C-N 3.33Å; D147-C149 PolarHBondContact O-N 3Å
150R94.3Very high95.4Very high60 Ų6040.4 Ų40.423%0.22621%0.209CC..SBendtrans-130.882.8179.8-67.4151.3-66.1-104.4-3.3109.5D147 K152 I153D147-R150 HydrophobicContact CB-CB 4.48Å; D147-R150 CarbonylContact O-C 3.14Å; D147-R150 PolarHBondContact O-N 3.5Å; D147-R150 IonicContact OD1-NH2 2.62Å; D147-R150 WeakPolarHBondContact OD2-CB 3.4Å; D147-R150 IonicContact OD2-CZ 2.76Å; D147-R150 PolarHBondContact OD2-N 2.75Å; D147-R150 IonicContact OD2-NE 3.57Å; D147-R150 PolarHBondContact OD2-NE 2.86Å; D147-R150 IonicContact OD2-NH2 2.8Å; D147-R150 PolarHBondContact OD2-NH2 2.95Å; R150-K152 PolarHBondContact O-N 3.45Å; R150-I153 HydrophobicContact CB-CB 4.43Å; R150-I153 HydrophobicContact CB-CD1 3.77Å; R150-I153 HydrophobicContact CB-CG1 4.04Å; R150-I153 HydrophobicContact CG-CD1 4.31Å; R150-I153 PolarHBondContact O-N 3.37Å
151P94.7Very high95.2Very high57 Ų5742 Ų4237%0.3722%0.219SC..THydrogen-bonded Turntrans-67-11.3-167.527.1-37.1000114.6D147 I153 S179D147-P151 VanDerWaalsContact O-CA 3.31Å; D147-P151 WeakPolarHBondContact O-CA 3.5Å; P151-I153 VanDerWaalsContact C-N 3.34Å; P151-S179 VanDerWaalsContact O-CA 3.28Å; P151-S179 WeakPolarHBondContact O-CA 3.24Å; P151-S179 WeakPolarHBondContact O-CB 3.23Å
152K96.6Very high94.9Very high113 Ų11344 Ų4449%0.49123%0.232SC..THydrogen-bonded Turntrans-81.5-12.1172.7-66.2-179.2-179.2174.30113.4R150 L175 V176R150-K152 PolarHBondContact O-N 3.45Å; K152-L175 HydrophobicContact CB-CD1 3.8Å; K152-V176 PolarHBondContact O-N 2.97Å
153I97.3Very high94.5Very high2 Ų251 Ų511%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-94.4123.7179.5-59.1179.7000108.8L77 V95 W99 A146 D147 R150 P151 A173 V174 L175L77-I153 HydrophobicContact CD1-CD1 4.02Å; L77-I153 HydrophobicContact CD1-CG1 4.25Å; L77-I153 HydrophobicContact CD1-CG2 4.3Å; V95-I153 HydrophobicContact CG1-CB 4.48Å; V95-I153 HydrophobicContact CG1-CD1 4.02Å; V95-I153 HydrophobicContact CG1-CG2 3.92Å; W99-I153 HydrophobicContact CD2-CD1 4.04Å; W99-I153 HydrophobicContact CE3-CD1 3.69Å; W99-I153 HydrophobicContact CG-CD1 4.49Å; W99-I153 HydrophobicContact CZ3-CD1 4.16Å; A146-I153 WeakPolarHBondContact CA-O 2.85Å; D147-I153 HydrophobicContact CB-CB 4.32Å; D147-I153 PolarHBondContact N-O 3.37Å; R150-I153 HydrophobicContact CB-CB 4.43Å; R150-I153 HydrophobicContact CB-CD1 3.77Å; R150-I153 HydrophobicContact CB-CG1 4.04Å; R150-I153 HydrophobicContact CG-CD1 4.31Å; R150-I153 PolarHBondContact O-N 3.37Å; P151-I153 VanDerWaalsContact C-N 3.34Å; I153-A173 HydrophobicContact CG2-CB 3.99Å; I153-V174 WeakPolarHBondContact CA-O 3.46Å; I153-L175 HydrophobicContact CG1-CD1 4.08Å
154L97.1Very high94.2Very high1 Ų155.5 Ų55.51%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-97.3129.4168173.373.3000108.4L113 A173 V174 V176 A182 I185 A186L113-L154 HydrophobicContact CD2-CD2 4.05Å; L154-A173 WeakPolarHBondContact O-CA 3.26Å; L154-V174 HydrophobicContact CB-CG2 3.74Å; L154-V174 HydrophobicContact CD2-CG2 3.98Å; L154-V174 HydrophobicContact CG-CG2 4.23Å; L154-V174 PolarHBondContact N-O 2.76Å; L154-V174 PolarHBondContact O-N 3.32Å; L154-V176 HydrophobicContact CB-CG2 4.28Å; L154-A182 HydrophobicContact CB-CB 4.19Å; L154-I185 HydrophobicContact CD2-CB 3.92Å; L154-I185 HydrophobicContact CD2-CD1 4.33Å; L154-I185 HydrophobicContact CD2-CG2 3.36Å; L154-A186 HydrophobicContact CD1-CB 3.83Å
155A96.8Very high93.8Very high0 Ų061.5 Ų61.50%032%0.315CS..EExtended strand (participates in β ladder)trans-124148177.200000111.6T91 V95 C144 A145 H172T91-A155 HydrophobicContact CG2-CB 4.24Å; V95-A155 HydrophobicContact CG2-CB 3.52Å; C144-A155 WeakPolarHBondContact CA-O 3.34Å; A145-A155 PolarHBondContact N-O 3.21Å; A145-A155 PolarHBondContact O-N 2.92Å; A145-A155 VanDerWaalsContact O-O 3.12Å; A155-H172 VanDerWaalsContact CA-O 3.24Å; A155-H172 WeakPolarHBondContact CA-O 3.49Å
156W96.8Very high93.4Very high0 Ų063.1 Ų63.10%033%0.328CS..EExtended strand (participates in β ladder)trans-142.2150.3169.467.795.8000111.1I120 M122 Y136 I141 Y143 C144 C171 H172 V174I120-W156 HydrophobicContact CD1-CD2 3.76Å; I120-W156 HydrophobicContact CD1-CE3 4.18Å; I120-W156 HydrophobicContact CD1-CG 3.92Å; M122-W156 HydrophobicContact SD-CH2 3.73Å; M122-W156 HydrophobicContact SD-CZ2 3.96Å; Y136-W156 AromaticContact CD1-NE1 3.89Å; Y136-W156 AromaticContact CD2-CZ2 3.94Å; Y136-W156 HydrophobicContact CD2-CZ2 3.94Å; Y136-W156 AromaticContact CD2-NE1 3.86Å; Y136-W156 AromaticContact CE2-CZ2 3.61Å; Y136-W156 HydrophobicContact CE2-CZ2 3.61Å; Y136-W156 AromaticContact CG-NE1 3.75Å; I141-W156 HydrophobicContact CG2-CB 4.36Å; Y143-W156 CarbonylContact O-C 3.59Å; Y143-W156 WeakPolarHBondContact O-CA 3.49Å; Y143-W156 WeakPolarHBondContact O-CB 3.41Å; C144-W156 HydrophobicContact CB-CB 3.93Å; W156-C171 WeakPolarHBondContact O-CA 3.3Å; W156-H172 HydrophobicContact CD2-CB 3.87Å; W156-H172 HydrophobicContact CE3-CB 4.34Å; W156-H172 HydrophobicContact CG-CB 4.44Å; W156-H172 HydrophobicContact CH2-CB 3.97Å; W156-H172 HydrophobicContact CZ2-CB 3.44Å; W156-H172 VanDerWaalsContact CZ2-CB 3.44Å; W156-H172 HydrophobicContact CZ3-CB 4.38Å; W156-H172 PolarHBondContact N-O 2.96Å; W156-H172 AromaticContact NE1-CD2 3.81Å; W156-H172 AromaticContact NE1-CG 3.91Å; W156-H172 PolarHBondContact O-N 3.07Å; W156-V174 HydrophobicContact CH2-CG1 3.65Å; W156-V174 HydrophobicContact CZ3-CB 4.4Å; W156-V174 HydrophobicContact CZ3-CG1 3.72Å; W156-V174 HydrophobicContact CZ3-CG2 3.92Å
157I96.9Very high93.2Very high0 Ų066 Ų660%034%0.343CS..EExtended strand (participates in β ladder)trans-104127.3177.2-57178.3000108.1T82 T84 C90 T91 I141 T142 Y143 L169 R170 C171T82-I157 HydrophobicContact CG2-CD1 4.29Å; T82-I157 HydrophobicContact CG2-CG1 4.44Å; T82-I157 HydrophobicContact CG2-CG2 3.9Å; T84-I157 WeakPolarHBondContact O-CD1 3.19Å; C90-I157 HydrophobicContact CB-CD1 4.32Å; T91-I157 HydrophobicContact CG2-CD1 3.83Å; T91-I157 HydrophobicContact CG2-CG1 3.84Å; I141-I157 WeakPolarHBondContact CA-O 3.16Å; T142-I157 PolarHBondContact N-O 3.48Å; T142-I157 WeakPolarHBondContact OG1-CB 3.08Å; T142-I157 VanDerWaalsContact OG1-CG2 3.27Å; T142-I157 WeakPolarHBondContact OG1-CG2 3.4Å; T142-I157 PolarHBondContact OG1-O 3.36Å; Y143-I157 HydrophobicContact CD1-CD1 4.46Å; Y143-I157 PolarHBondContact O-N 3.03Å; I157-L169 HydrophobicContact CG2-CB 4.26Å; I157-L169 HydrophobicContact CG2-CD2 4.39Å; I157-R170 WeakPolarHBondContact CA-O 3.42Å; I157-C171 HydrophobicContact CG1-CB 4.48Å
158Y96.6Very high93.2Very high16 Ų1668 Ų686%0.06336%0.355CS..EExtended strand (participates in β ladder)trans-122.3138-178.1-169.8-102000111.7Y136 R140 I141 H160 R170Y136-Y158 AromaticContact CD1-CD1 3.85Å; Y136-Y158 HydrophobicContact CD1-CD1 3.85Å; Y136-Y158 AromaticContact CD1-CD2 3.66Å; Y136-Y158 HydrophobicContact CD1-CD2 3.66Å; Y136-Y158 HydrophobicContact CD1-CE1 4.03Å; Y136-Y158 AromaticContact CD1-CE2 3.88Å; Y136-Y158 HydrophobicContact CD1-CE2 3.88Å; Y136-Y158 AromaticContact CD1-CG 3.61Å; Y136-Y158 HydrophobicContact CD1-CG 3.61Å; Y136-Y158 HydrophobicContact CE1-CD1 4.33Å; Y136-Y158 HydrophobicContact CE1-CG 4.31Å; Y136-Y158 HydrophobicContact CG-CD2 4.21Å; Y136-Y158 HydrophobicContact CG-CE2 4.29Å; R140-Y158 HydrophobicContact CB-CD2 3.92Å; R140-Y158 HydrophobicContact CB-CE1 4.44Å; R140-Y158 HydrophobicContact CB-CE2 3.34Å; R140-Y158 VanDerWaalsContact CD-OH 3.28Å; R140-Y158 WeakPolarHBondContact CD-OH 3.42Å; R140-Y158 HydrophobicContact CG-CE2 4.44Å; I141-Y158 HydrophobicContact CG1-CD2 3.74Å; I141-Y158 HydrophobicContact CG1-CE2 4.26Å; Y158-H160 AromaticContact CD1-CD2 3.58Å; Y158-H160 AromaticContact CD1-CE1 3.53Å; Y158-H160 AromaticContact CD1-CG 3.84Å; Y158-H160 AromaticContact CD1-ND1 3.8Å; Y158-H160 AromaticContact CD1-NE2 3.39Å; Y158-H160 WeakPolarHBondContact CD1-NE2 3.43Å; Y158-H160 AromaticContact CE1-CE1 3.92Å; Y158-H160 AromaticContact CE1-ND1 3.95Å; Y158-H160 PolarHBondContact O-N 2.67Å; Y158-R170 PolarHBondContact N-O 3.32Å; Y158-R170 PolarHBondContact O-N 3.39Å
159R95.4Very high93.3Very high95 Ų9565 Ų6536%0.35833%0.334SS..EExtended strand (participates in β ladder)trans-82.5100.4171.8-63.3-161.3-62-98.20.3110.3N139 R140 T142 V167 L169N139-R159 PolarHBondContact O-NH2 3.21Å; R140-R159 HydrophobicContact CB-CB 4.34Å; R140-R159 PolarHBondContact O-N 2.96Å; T142-R159 HydrophobicContact CG2-CG 3.85Å; R159-V167 HydrophobicContact CB-CG1 3.77Å; R159-V167 HydrophobicContact CG-CG1 4.13Å; R159-L169 HydrophobicContact CG-CD2 3.62Å
160H94.3Very high93.5Very high51 Ų5164.9 Ų64.924%0.23632%0.322CS..EExtended strand (participates in β ladder)trans-83.1133171-71.7-84.7000110.1Y158 V167 V168 R170 H172Y158-H160 AromaticContact CD1-CD2 3.58Å; Y158-H160 AromaticContact CD1-CE1 3.53Å; Y158-H160 AromaticContact CD1-CG 3.84Å; Y158-H160 AromaticContact CD1-ND1 3.8Å; Y158-H160 AromaticContact CD1-NE2 3.39Å; Y158-H160 WeakPolarHBondContact CD1-NE2 3.43Å; Y158-H160 AromaticContact CE1-CE1 3.92Å; Y158-H160 AromaticContact CE1-ND1 3.95Å; Y158-H160 PolarHBondContact O-N 2.67Å; H160-V167 WeakPolarHBondContact O-CA 3.24Å; H160-V168 PolarHBondContact N-O 2.84Å; H160-V168 PolarHBondContact O-N 3.4Å; H160-R170 WeakPolarHBondContact CD2-CB 3.49Å; H160-H172 AromaticContact CD2-NE2 3.99Å; H160-H172 AromaticContact CE1-NE2 3.72Å; H160-H172 AromaticContact NE2-CE1 3.72Å; H160-H172 AromaticContact NE2-NE2 2.91Å; H160-H172 PolarHBondContact NE2-NE2 3.4Å
161Q92.4Very high93.6Very high108 Ų10862 Ų6251%0.50531%0.311SS..EExtended strand (participates in β ladder)trans-83.1119.6167.4-72.5174.4-31.500107.5R140R140-Q161 VanDerWaalsContact CZ-OE1 3.29Å; R140-Q161 VanDerWaalsContact NH1-CD 3.29Å
162V88.9Confident93.7Very high66 Ų6659.5 Ų59.540%0.429%0.294SS..  trans-96.2-178.4172.1-62.40000109.4M165 A166 V168V162-M165 PolarHBondContact O-N 3.07Å; V162-A166 HydrophobicContact CG2-CB 3.56Å; V162-A166 VanDerWaalsContact CG2-O 3.24Å; V162-A166 WeakPolarHBondContact CG2-O 3.19Å; V162-A166 PolarHBondContact N-O 3.01Å; V162-V168 HydrophobicContact CB-CG2 4.42Å; V162-V168 HydrophobicContact CG1-CB 4.02Å; V162-V168 HydrophobicContact CG1-CG2 3.58Å; V162-V168 HydrophobicContact CG2-CG2 3.91Å
163K86.4Confident93.8Very high188 Ų18854.1 Ų54.182%0.81727%0.271SS*.G310 helixtrans-53.3149.4176.3-63.4-175178.6-176.70110.3M165K163-M165 VanDerWaalsContact C-N 3.32Å; K163-M165 PolarHBondContact O-N 3.19Å
164N88.8Confident93.8Very high160 Ų16054 Ų5486%0.85627%0.27SS*.G310 helixtrans62.431.8179.9-50.5-21.3000114.5A166N164-A166 PolarHBondContact O-N 3.38Å
165M84.5Confident93.8Very high156 Ų15654.7 Ų54.777%0.76827%0.274SS*.G310 helixtrans60.67178-58.9-65157.100115.3V162 K163V162-M165 PolarHBondContact O-N 3.07Å; K163-M165 VanDerWaalsContact C-N 3.32Å; K163-M165 PolarHBondContact O-N 3.19Å
166A87.7Confident93.8Very high50 Ų5055 Ų5541%0.41328%0.275SS..  trans-65.5150.8173.100000110.2V162 N164V162-A166 HydrophobicContact CG2-CB 3.56Å; V162-A166 VanDerWaalsContact CG2-O 3.24Å; V162-A166 WeakPolarHBondContact CG2-O 3.19Å; V162-A166 PolarHBondContact N-O 3.01Å; N164-A166 PolarHBondContact O-N 3.38Å
167V91.3Very high93.7Very high82 Ų8258.5 Ų58.550%0.49730%0.3SS..EExtended strand (participates in β ladder)trans-115.4125.6-176.1179.20000109.3R159 H160R159-V167 HydrophobicContact CB-CG1 3.77Å; R159-V167 HydrophobicContact CG-CG1 4.13Å; H160-V167 WeakPolarHBondContact O-CA 3.24Å
168V94.8Very high93.7Very high43 Ų4364 Ų6426%0.26132%0.324SS..EExtended strand (participates in β ladder)trans-114.6130.6175.2177.50000109.2V81 H160 V162V81-V168 HydrophobicContact CG1-CG1 3.76Å; V81-V168 HydrophobicContact CG2-CG1 4.04Å; H160-V168 PolarHBondContact N-O 2.84Å; H160-V168 PolarHBondContact O-N 3.4Å; V162-V168 HydrophobicContact CB-CG2 4.42Å; V162-V168 HydrophobicContact CG1-CB 4.02Å; V162-V168 HydrophobicContact CG1-CG2 3.58Å; V162-V168 HydrophobicContact CG2-CG2 3.91Å
169L95.6Very high93.6Very high32 Ų3265.2 Ų65.217%0.16834%0.335CS..EExtended strand (participates in β ladder)trans-83.1129.3174.1-58.4173.7000109.6V81 T82 I83 A85 I157 R159V81-L169 WeakPolarHBondContact CA-O 3.41Å; T82-L169 HydrophobicContact CG2-CB 3.83Å; T82-L169 PolarHBondContact N-O 3.35Å; T82-L169 WeakPolarHBondContact O-CB 3.41Å; I83-L169 WeakPolarHBondContact O-CD1 3.34Å; A85-L169 HydrophobicContact CB-CD1 3.65Å; A85-L169 HydrophobicContact CB-CD2 4.31Å; I157-L169 HydrophobicContact CG2-CB 4.26Å; I157-L169 HydrophobicContact CG2-CD2 4.39Å; R159-L169 HydrophobicContact CG-CD2 3.62Å
170R96.4Very high93.7Very high82 Ų8266.9 Ų66.931%0.30935%0.347SS..EExtended strand (participates in β ladder)trans-129.7126.1177.7-169173.3-81.7-101.91109.5S79 V80 I157 Y158 H160S79-R170 WeakPolarHBondContact OG-CD 3.47Å; S79-R170 PolarHBondContact OG-NH1 3.46Å; V80-R170 CarbonylContact O-C 3.56Å; V80-R170 WeakPolarHBondContact O-CA 3.41Å; V80-R170 WeakPolarHBondContact O-CG 3.43Å; I157-R170 WeakPolarHBondContact CA-O 3.42Å; Y158-R170 PolarHBondContact N-O 3.32Å; Y158-R170 PolarHBondContact O-N 3.39Å; H160-R170 WeakPolarHBondContact CD2-CB 3.49Å
171C96.8Very high93.8Very high0 Ų068.8 Ų68.80%035%0.354CS..EExtended strand (participates in β ladder)trans-82.4129.1169.1-171.20000108.5S79 V80 T82 A94 W156 I157S79-C171 CarbonylContact C-O 3.51Å; S79-C171 WeakPolarHBondContact CA-O 3.36Å; S79-C171 WeakPolarHBondContact CB-O 3.39Å; V80-C171 HydrophobicContact CG1-CB 4.24Å; V80-C171 PolarHBondContact N-O 3.05Å; V80-C171 PolarHBondContact O-N 3.47Å; T82-C171 HydrophobicContact CG2-CB 4.35Å; A94-C171 HydrophobicContact CB-CB 3.64Å; W156-C171 WeakPolarHBondContact O-CA 3.3Å; I157-C171 HydrophobicContact CG1-CB 4.48Å
172H97.2Very high94Very high5 Ų563.6 Ų63.62%0.02333%0.33CS..EExtended strand (participates in β ladder)trans-110.5142.4171.3-67.5-86.4000108.5Y76 S79 Y136 A155 W156 H160Y76-H172 HydrophobicContact CE2-CB 4.42Å; Y76-H172 AromaticContact CZ-ND1 3.98Å; Y76-H172 PolarHBondContact OH-ND1 3.41Å; S79-H172 WeakPolarHBondContact CB-ND1 3.28Å; Y136-H172 AromaticContact CE1-CD2 3.9Å; Y136-H172 AromaticContact CE1-CE1 3.85Å; Y136-H172 AromaticContact CE1-NE2 3.58Å; Y136-H172 AromaticContact CZ-CE1 3.92Å; Y136-H172 AromaticContact CZ-ND1 4Å; Y136-H172 PolarHBondContact OH-CE1 2.94Å; Y136-H172 VanDerWaalsContact OH-CE1 3.28Å; Y136-H172 PolarHBondContact OH-ND1 3.24Å; A155-H172 VanDerWaalsContact CA-O 3.24Å; A155-H172 WeakPolarHBondContact CA-O 3.49Å; W156-H172 HydrophobicContact CD2-CB 3.87Å; W156-H172 HydrophobicContact CE3-CB 4.34Å; W156-H172 HydrophobicContact CG-CB 4.44Å; W156-H172 HydrophobicContact CH2-CB 3.97Å; W156-H172 HydrophobicContact CZ2-CB 3.44Å; W156-H172 VanDerWaalsContact CZ2-CB 3.44Å; W156-H172 HydrophobicContact CZ3-CB 4.38Å; W156-H172 PolarHBondContact N-O 2.96Å; W156-H172 AromaticContact NE1-CD2 3.81Å; W156-H172 AromaticContact NE1-CG 3.91Å; W156-H172 PolarHBondContact O-N 3.07Å; H160-H172 AromaticContact CD2-NE2 3.99Å; H160-H172 AromaticContact CE1-NE2 3.72Å; H160-H172 AromaticContact NE2-CE1 3.72Å; H160-H172 AromaticContact NE2-NE2 2.91Å; H160-H172 PolarHBondContact NE2-NE2 3.4Å
173A97.3Very high94.3Very high0 Ų065.9 Ų65.90%034%0.336CS..EExtended strand (participates in β ladder)trans-133.2138.7178.800000111.6L77 G78 I98 I153 L154L77-A173 HydrophobicContact CD1-CB 4.37Å; L77-A173 PolarHBondContact N-O 3.41Å; G78-A173 PolarHBondContact O-N 2.91Å; G78-A173 VanDerWaalsContact O-N 3.15Å; I98-A173 HydrophobicContact CD1-CB 3.86Å; I98-A173 HydrophobicContact CG2-CB 4.08Å; I153-A173 HydrophobicContact CG2-CB 3.99Å; L154-A173 WeakPolarHBondContact O-CA 3.26Å
174V97.3Very high94.8Very high0 Ų059.1 Ų59.10%032%0.316CS..EExtended strand (participates in β ladder)trans-128.4142.6174.2-61.90000110V74 R75 Y76 I153 L154 W156 V176V74-V174 HydrophobicContact CB-CB 4.16Å; V74-V174 HydrophobicContact CB-CG2 4.39Å; V74-V174 HydrophobicContact CG1-CG2 4.47Å; V74-V174 HydrophobicContact CG2-CB 4.15Å; V74-V174 HydrophobicContact CG2-CG1 4.13Å; R75-V174 CarbonylContact O-C 3.53Å; R75-V174 WeakPolarHBondContact O-CA 3.38Å; Y76-V174 HydrophobicContact CD2-CG1 3.82Å; I153-V174 WeakPolarHBondContact CA-O 3.46Å; L154-V174 HydrophobicContact CB-CG2 3.74Å; L154-V174 HydrophobicContact CD2-CG2 3.98Å; L154-V174 HydrophobicContact CG-CG2 4.23Å; L154-V174 PolarHBondContact N-O 2.76Å; L154-V174 PolarHBondContact O-N 3.32Å; W156-V174 HydrophobicContact CH2-CG1 3.65Å; W156-V174 HydrophobicContact CZ3-CB 4.4Å; W156-V174 HydrophobicContact CZ3-CG1 3.72Å; W156-V174 HydrophobicContact CZ3-CG2 3.92Å; V174-V176 HydrophobicContact CG2-CG2 4.39Å
175L97.1Very high95.1Very high15 Ų1551.6 Ų51.68%0.07928%0.275CS..EExtended strand (participates in β ladder)trans-94.4125.9173179.863.6000110R75 L77 W99 K152 I153R75-L175 HydrophobicContact CB-CB 4.22Å; R75-L175 PolarHBondContact N-O 2.93Å; R75-L175 VanDerWaalsContact NH2-CD2 3.31Å; R75-L175 PolarHBondContact O-N 2.8Å; L77-L175 HydrophobicContact CD1-CB 4.15Å; L77-L175 HydrophobicContact CD2-CB 3.99Å; L77-L175 HydrophobicContact CG-CB 4.11Å; W99-L175 HydrophobicContact CZ3-CD2 4.34Å; K152-L175 HydrophobicContact CB-CD1 3.8Å; I153-L175 HydrophobicContact CG1-CD1 4.08Å
176V96.7Very high95.6Very high5 Ų544.8 Ų44.83%0.0324%0.244CC..  trans-106.2157.7179.5-166.90000109.7V74 K152 L154 V174 K181 A182 I185V74-V176 HydrophobicContact CG1-CG2 4.12Å; K152-V176 PolarHBondContact O-N 2.97Å; L154-V176 HydrophobicContact CB-CG2 4.28Å; V174-V176 HydrophobicContact CG2-CG2 4.39Å; V176-K181 HydrophobicContact CG1-CB 3.58Å; V176-K181 HydrophobicContact CG1-CD 4.32Å; V176-A182 HydrophobicContact CB-CB 4.37Å; V176-A182 HydrophobicContact CG2-CB 4.11Å; V176-I185 HydrophobicContact CG1-CD1 4.4Å; V176-I185 HydrophobicContact CG2-CD1 4.27Å
177S94.9Very high96Very high75 Ų7547 Ų4752%0.52425%0.248SC..SBendtrans-63.7-41.1179.1430000113.6
178K96.4Very high96.1Very high116 Ų11644.1 Ų44.150%0.50423%0.232SC..  trans-126.4148.1-178.4-62.6-172.2176.1-1700110.4K181 A182K178-K181 HydrophobicContact CB-CB 4.39Å; K178-K181 HydrophobicContact CB-CD 4.32Å; K178-K181 HydrophobicContact CB-CG 4.14Å; K178-K181 PolarHBondContact O-N 2.99Å; K178-A182 PolarHBondContact O-N 2.99Å
179S96.4Very high96.1Very high41 Ų4142.3 Ų42.329%0.28722%0.221SC..Hα-helixtrans-64.3-43.517544.50000112.3P151 K181 A182 Q183P151-S179 VanDerWaalsContact O-CA 3.28Å; P151-S179 WeakPolarHBondContact O-CA 3.24Å; P151-S179 WeakPolarHBondContact O-CB 3.23Å; S179-K181 PolarHBondContact O-N 3.36Å; S179-A182 WeakPolarHBondContact O-CB 3.46Å; S179-A182 PolarHBondContact O-N 2.93Å; S179-Q183 PolarHBondContact O-N 3.29Å
180E96.4Very high96.1Very high130 Ų13048.5 Ų48.561%0.60724%0.243SC*.Hα-helixtrans-53.7-39.6175.3-65.4161.7-17400111.8Q183 A184E180-Q183 PolarHBondContact O-N 3.1Å; E180-A184 VanDerWaalsContact O-CB 3.28Å; E180-A184 WeakPolarHBondContact O-CB 3.4Å; E180-A184 PolarHBondContact O-N 3.28Å
181K95.8Very high96Very high90 Ų9049.9 Ų49.939%0.39125%0.253SS..Hα-helixtrans-66.6-42.2176.9-71.9-177.3178.7-178.60111.4V176 K178 S179 Q183 A184 I185V176-K181 HydrophobicContact CG1-CB 3.58Å; V176-K181 HydrophobicContact CG1-CD 4.32Å; K178-K181 HydrophobicContact CB-CB 4.39Å; K178-K181 HydrophobicContact CB-CD 4.32Å; K178-K181 HydrophobicContact CB-CG 4.14Å; K178-K181 PolarHBondContact O-N 2.99Å; S179-K181 PolarHBondContact O-N 3.36Å; K181-Q183 VanDerWaalsContact C-N 3.32Å; K181-Q183 PolarHBondContact O-N 3.44Å; K181-A184 PolarHBondContact O-N 2.82Å; K181-I185 WeakPolarHBondContact O-CB 3.39Å; K181-I185 VanDerWaalsContact O-CD1 3.3Å; K181-I185 WeakPolarHBondContact O-CD1 3.47Å; K181-I185 WeakPolarHBondContact O-CG1 3.09Å; K181-I185 PolarHBondContact O-N 2.85Å
182A96.6Very high95.8Very high0 Ų051.8 Ų51.80%026%0.263CS..Hα-helixtrans-60.3-44.4176.300000111.1A146 L154 V176 K178 S179 I185 A186A146-A182 HydrophobicContact CB-CB 4.1Å; L154-A182 HydrophobicContact CB-CB 4.19Å; V176-A182 HydrophobicContact CB-CB 4.37Å; V176-A182 HydrophobicContact CG2-CB 4.11Å; K178-A182 PolarHBondContact O-N 2.99Å; S179-A182 WeakPolarHBondContact O-CB 3.46Å; S179-A182 PolarHBondContact O-N 2.93Å; A182-I185 PolarHBondContact O-N 3.49Å; A182-A186 PolarHBondContact O-N 2.93Å
183Q96.3Very high95.6Very high113 Ų11353.3 Ų53.353%0.52828%0.277SS..Hα-helixtrans-64.3-44.8176.1-67.6177.8-0.200112.2A146 S179 E180 K181 I185 A186 L187A146-Q183 HydrophobicContact CB-CG 3.97Å; S179-Q183 PolarHBondContact O-N 3.29Å; E180-Q183 PolarHBondContact O-N 3.1Å; K181-Q183 VanDerWaalsContact C-N 3.32Å; K181-Q183 PolarHBondContact O-N 3.44Å; Q183-I185 VanDerWaalsContact C-N 3.31Å; Q183-I185 PolarHBondContact O-N 2.83Å; Q183-A186 PolarHBondContact O-N 3.23Å; Q183-L187 WeakPolarHBondContact O-CB 3.48Å; Q183-L187 PolarHBondContact O-N 2.81Å
184A95.6Very high95.4Very high47 Ų4756.7 Ų56.739%0.38830%0.297SS..Hα-helixtrans-61.2-39.8177.400000112.1E180 K181 L187 S188E180-A184 VanDerWaalsContact O-CB 3.28Å; E180-A184 WeakPolarHBondContact O-CB 3.4Å; E180-A184 PolarHBondContact O-N 3.28Å; K181-A184 PolarHBondContact O-N 2.82Å; A184-L187 PolarHBondContact O-N 3.49Å; A184-S188 VanDerWaalsContact O-CB 3.26Å; A184-S188 WeakPolarHBondContact O-CB 3.28Å; A184-S188 PolarHBondContact O-N 2.97Å
185I95.8Very high95.1Very high1 Ų160 Ų601%0.00532%0.321CS..Hα-helixtrans-64.4-46.3175.9-65.1160000110.5Y72 L113 V115 L154 V176 K181 A182 Q183 L187 S188 L189Y72-I185 HydrophobicContact CD1-CD1 3.78Å; Y72-I185 HydrophobicContact CD1-CG1 3.87Å; Y72-I185 HydrophobicContact CD2-CD1 3.96Å; Y72-I185 HydrophobicContact CD2-CG1 3.73Å; Y72-I185 HydrophobicContact CE1-CD1 4.16Å; Y72-I185 HydrophobicContact CE1-CG1 3.73Å; Y72-I185 HydrophobicContact CE2-CD1 4.33Å; Y72-I185 HydrophobicContact CE2-CG1 3.6Å; Y72-I185 HydrophobicContact CG-CD1 3.66Å; Y72-I185 HydrophobicContact CG-CG1 3.85Å; L113-I185 HydrophobicContact CD2-CD1 4.31Å; L113-I185 HydrophobicContact CD2-CG2 4.09Å; V115-I185 HydrophobicContact CG2-CG2 3.69Å; L154-I185 HydrophobicContact CD2-CB 3.92Å; L154-I185 HydrophobicContact CD2-CD1 4.33Å; L154-I185 HydrophobicContact CD2-CG2 3.36Å; V176-I185 HydrophobicContact CG1-CD1 4.4Å; V176-I185 HydrophobicContact CG2-CD1 4.27Å; K181-I185 WeakPolarHBondContact O-CB 3.39Å; K181-I185 VanDerWaalsContact O-CD1 3.3Å; K181-I185 WeakPolarHBondContact O-CD1 3.47Å; K181-I185 WeakPolarHBondContact O-CG1 3.09Å; K181-I185 PolarHBondContact O-N 2.85Å; A182-I185 PolarHBondContact O-N 3.49Å; Q183-I185 VanDerWaalsContact C-N 3.31Å; Q183-I185 PolarHBondContact O-N 2.83Å; I185-L187 PolarHBondContact O-N 2.86Å; I185-S188 PolarHBondContact O-N 2.95Å; I185-L189 WeakPolarHBondContact O-CB 3.3Å; I185-L189 PolarHBondContact O-N 3Å
186A95.8Very high94.8Very high13 Ų1361 Ų6111%0.10733%0.331CS..Hα-helixtrans-60.2-45.3177.600000111.6L154 A182 Q183 L189 Y190L154-A186 HydrophobicContact CD1-CB 3.83Å; A182-A186 PolarHBondContact O-N 2.93Å; Q183-A186 PolarHBondContact O-N 3.23Å; A186-L189 PolarHBondContact O-N 2.62Å; A186-Y190 WeakPolarHBondContact O-CB 3.37Å; A186-Y190 PolarHBondContact O-N 3.37Å
187L95.4Very high94.5Very high96 Ų9666.5 Ų66.550%0.50336%0.355SS..Hα-helixtrans-64-44.4177.5-177.564000111.9Q183 A184 I185 L189 Y190 Q191Q183-L187 WeakPolarHBondContact O-CB 3.48Å; Q183-L187 PolarHBondContact O-N 2.81Å; A184-L187 PolarHBondContact O-N 3.49Å; I185-L187 PolarHBondContact O-N 2.86Å; L187-L189 VanDerWaalsContact C-N 3.33Å; L187-L189 PolarHBondContact O-N 2.95Å; L187-Y190 WeakPolarHBondContact O-CB 3.5Å; L187-Y190 PolarHBondContact O-N 3.09Å; L187-Q191 WeakPolarHBondContact O-CG 3.43Å; L187-Q191 PolarHBondContact O-N 2.97Å
188S94.6Very high94.3Very high22 Ų2265.5 Ų65.515%0.15435%0.348CS..Hα-helixtrans-60-43.8176.8178.90000111.4A184 I185 Y190 Q191 N192A184-S188 VanDerWaalsContact O-CB 3.26Å; A184-S188 WeakPolarHBondContact O-CB 3.28Å; A184-S188 PolarHBondContact O-N 2.97Å; I185-S188 PolarHBondContact O-N 2.95Å; S188-Y190 VanDerWaalsContact C-N 3.35Å; S188-Y190 PolarHBondContact O-N 2.88Å; S188-Q191 PolarHBondContact O-N 2.91Å; S188-N192 WeakPolarHBondContact O-CB 3.48Å; S188-N192 PolarHBondContact O-N 3.35Å; S188-N192 PolarHBondContact O-OD1 2.87Å
189L94.8Very high94Very high5 Ų563.8 Ų63.83%0.02634%0.342CS..Hα-helixtrans-63.7-41176.3-169.273.6000111.7V115 I120 L138 I141 C144 I185 A186 L187 N192 A193V115-L189 HydrophobicContact CG1-CB 3.97Å; V115-L189 HydrophobicContact CG1-CD1 3.69Å; V115-L189 HydrophobicContact CG1-CG 4.47Å; I120-L189 HydrophobicContact CD1-CD1 4.33Å; I120-L189 HydrophobicContact CD1-CD2 3.79Å; I120-L189 HydrophobicContact CG1-CD1 3.69Å; I120-L189 HydrophobicContact CG1-CD2 4.1Å; L138-L189 HydrophobicContact CD2-CD1 3.51Å; L138-L189 HydrophobicContact CD2-CG 4.14Å; I141-L189 HydrophobicContact CD1-CD2 4.28Å; I141-L189 HydrophobicContact CG2-CD2 4.46Å; C144-L189 HydrophobicContact CB-CD2 3.6Å; C144-L189 VanDerWaalsContact SG-CD2 3.54Å; I185-L189 WeakPolarHBondContact O-CB 3.3Å; I185-L189 PolarHBondContact O-N 3Å; A186-L189 PolarHBondContact O-N 2.62Å; L187-L189 VanDerWaalsContact C-N 3.33Å; L187-L189 PolarHBondContact O-N 2.95Å; L189-N192 PolarHBondContact O-N 3.01Å; L189-A193 WeakPolarHBondContact O-CB 3.49Å; L189-A193 PolarHBondContact O-N 3.46Å
190Y94.3Very high93.7Very high162 Ų16268 Ų6864%0.63536%0.355SS*.Hα-helixtrans-62.5-44.2176.6177.5-98.6000112.3A186 L187 S188 A193 T194A186-Y190 WeakPolarHBondContact O-CB 3.37Å; A186-Y190 PolarHBondContact O-N 3.37Å; L187-Y190 WeakPolarHBondContact O-CB 3.5Å; L187-Y190 PolarHBondContact O-N 3.09Å; S188-Y190 VanDerWaalsContact C-N 3.35Å; S188-Y190 PolarHBondContact O-N 2.88Å; Y190-A193 PolarHBondContact O-N 2.85Å; Y190-T194 WeakPolarHBondContact O-CB 3.33Å; Y190-T194 PolarHBondContact O-N 3.34Å; Y190-T194 PolarHBondContact O-OG1 2.97Å
191Q93.8Very high93.4Very high111 Ų11165.8 Ų65.852%0.51934%0.344SS..Hα-helixtrans-62.2-45.5174.9-71.5173.7-10.400111.2L187 S188 A193 T194 S195L187-Q191 WeakPolarHBondContact O-CG 3.43Å; L187-Q191 PolarHBondContact O-N 2.97Å; S188-Q191 PolarHBondContact O-N 2.91Å; Q191-A193 PolarHBondContact O-N 2.82Å; Q191-T194 PolarHBondContact O-N 2.99Å; Q191-S195 WeakPolarHBondContact O-CB 3.12Å; Q191-S195 PolarHBondContact O-N 2.88Å
192N92.8Very high93.2Very high40 Ų4066.9 Ų66.921%0.21435%0.345CS..Hα-helixtrans-61.5-43.8177-71.8-10000111.8G116 L138 S188 L189 S195 A196G116-N192 VanDerWaalsContact C-ND2 3.32Å; G116-N192 WeakPolarHBondContact CA-ND2 3.43Å; G116-N192 PolarHBondContact O-ND2 2.93Å; L138-N192 HydrophobicContact CD1-CB 4.39Å; S188-N192 WeakPolarHBondContact O-CB 3.48Å; S188-N192 PolarHBondContact O-N 3.35Å; S188-N192 PolarHBondContact O-OD1 2.87Å; L189-N192 PolarHBondContact O-N 3.01Å; N192-S195 PolarHBondContact O-N 2.88Å; N192-A196 WeakPolarHBondContact O-CB 3.29Å; N192-A196 PolarHBondContact O-N 3.41Å
193A92.9Very high92.8Very high37 Ų3770.9 Ų70.931%0.30637%0.366SS..Hα-helixtrans-61.9-45.5176.300000111.9L138 L189 Y190 Q191 A196 F197L138-A193 HydrophobicContact CD2-CB 4.3Å; L189-A193 WeakPolarHBondContact O-CB 3.49Å; L189-A193 PolarHBondContact O-N 3.46Å; Y190-A193 PolarHBondContact O-N 2.85Å; Q191-A193 PolarHBondContact O-N 2.82Å; A193-A196 PolarHBondContact O-N 3.3Å; A193-F197 VanDerWaalsContact O-CB 3.23Å; A193-F197 WeakPolarHBondContact O-CB 3.38Å; A193-F197 PolarHBondContact O-N 3.21Å
194T93.1Very high92.5Very high71 Ų7170.3 Ų70.344%0.43636%0.362SS..Hα-helixtrans-64-45.4178.8-58.50000111.1Y190 Q191 F197 S198Y190-T194 WeakPolarHBondContact O-CB 3.33Å; Y190-T194 PolarHBondContact O-N 3.34Å; Y190-T194 PolarHBondContact O-OG1 2.97Å; Q191-T194 PolarHBondContact O-N 2.99Å; T194-F197 PolarHBondContact O-N 3.01Å; T194-S198 WeakPolarHBondContact O-CB 3.37Å; T194-S198 PolarHBondContact O-N 3.34Å
195S91.3Very high92.1Very high70 Ų7075.9 Ų75.949%0.4937%0.373SS..Hα-helixtrans-61.5-51.8176.6-173.90000111.1Q191 N192 F197 S198 E199Q191-S195 WeakPolarHBondContact O-CB 3.12Å; Q191-S195 PolarHBondContact O-N 2.88Å; N192-S195 PolarHBondContact O-N 2.88Å; S195-F197 VanDerWaalsContact C-N 3.29Å; S195-F197 PolarHBondContact O-N 3.2Å; S195-S198 PolarHBondContact O-N 2.9Å; S195-S198 VanDerWaalsContact O-N 3.17Å; S195-S198 PolarHBondContact O-OG 2.68Å; S195-E199 PolarHBondContact O-N 2.94Å
196A90.7Very high91.5Very high37 Ų3780 Ų8031%0.30639%0.392SS..Hα-helixtrans-59.1-39.5178.500000112.1L138 N192 A193 F200L138-A196 HydrophobicContact CD1-CB 3.97Å; N192-A196 WeakPolarHBondContact O-CB 3.29Å; N192-A196 PolarHBondContact O-N 3.41Å; A193-A196 PolarHBondContact O-N 3.3Å; A196-F200 WeakPolarHBondContact O-CB 3.44Å; A196-F200 PolarHBondContact O-N 3.41Å
197F91.9Very high91Very high120 Ų12081 Ų8153%0.52640%0.399SS..Hα-helixtrans-69.2-38.6177.2-176.9-118000112.6A193 T194 S195 F200 K201A193-F197 VanDerWaalsContact O-CB 3.23Å; A193-F197 WeakPolarHBondContact O-CB 3.38Å; A193-F197 PolarHBondContact O-N 3.21Å; T194-F197 PolarHBondContact O-N 3.01Å; S195-F197 VanDerWaalsContact C-N 3.29Å; S195-F197 PolarHBondContact O-N 3.2Å; F197-F200 HydrophobicContact CD2-CD1 4.4Å; F197-F200 HydrophobicContact CE2-CD1 4.44Å; F197-F200 PolarHBondContact O-N 2.89Å; F197-K201 HydrophobicContact CD1-CD 4.28Å; F197-K201 HydrophobicContact CE1-CD 3.69Å; F197-K201 HydrophobicContact CE1-CG 4.28Å; F197-K201 HydrophobicContact CE2-CD 4.48Å; F197-K201 HydrophobicContact CE2-CG 4.26Å; F197-K201 HydrophobicContact CZ-CD 3.8Å; F197-K201 HydrophobicContact CZ-CG 4.07Å; F197-K201 WeakPolarHBondContact O-CG 3.38Å; F197-K201 PolarHBondContact O-N 2.89Å
198S90.8Very high90.6Very high54 Ų5479.2 Ų79.238%0.37839%0.39SS..Hα-helixtrans-63.2-43.2175.675.20000112T194 S195 K201 R202T194-S198 WeakPolarHBondContact O-CB 3.37Å; T194-S198 PolarHBondContact O-N 3.34Å; S195-S198 PolarHBondContact O-N 2.9Å; S195-S198 VanDerWaalsContact O-N 3.17Å; S195-S198 PolarHBondContact O-OG 2.68Å; S198-K201 PolarHBondContact O-N 3.3Å; S198-R202 PolarHBondContact O-N 3.24Å
199E89.9Confident90Very high79 Ų7984.7 Ų84.737%0.36941%0.411SS..Hα-helixtrans-64.1-43.1174.5-80.2-62.7111.400111.9S195 K201 R202 L203S195-E199 PolarHBondContact O-N 2.94Å; E199-K201 PolarHBondContact O-N 2.9Å; E199-R202 WeakPolarHBondContact O-CB 2.93Å; E199-R202 PolarHBondContact O-N 2.98Å; E199-R202 IonicContact OE1-CZ 2.79Å; E199-R202 IonicContact OE1-NE 3.89Å; E199-R202 PolarHBondContact OE1-NE 3.41Å; E199-R202 IonicContact OE1-NH2 3.12Å; E199-R202 IonicContact OE2-CZ 3.93Å; E199-R202 IonicContact OE2-NE 3.37Å; E199-R202 PolarHBondContact OE2-NE 3.01Å; E199-R202 IonicContact OE2-NH2 3.69Å; E199-R202 PolarHBondContact OE2-NH2 3.33Å; E199-L203 WeakPolarHBondContact O-CB 3.43Å; E199-L203 WeakPolarHBondContact O-CG 3.43Å; E199-L203 PolarHBondContact O-N 3.03Å
200F90.4Very high89.3Confident130 Ų13087.2 Ų87.257%0.5742%0.42SS*.Hα-helixtrans-57.3-47.9173.8174.4-102.9000111.9A196 F197 R202 L203 K204A196-F200 WeakPolarHBondContact O-CB 3.44Å; A196-F200 PolarHBondContact O-N 3.41Å; F197-F200 HydrophobicContact CD2-CD1 4.4Å; F197-F200 HydrophobicContact CE2-CD1 4.44Å; F197-F200 PolarHBondContact O-N 2.89Å; F200-R202 VanDerWaalsContact C-N 3.32Å; F200-R202 PolarHBondContact O-N 3.42Å; F200-L203 PolarHBondContact O-N 3.35Å; F200-K204 VanDerWaalsContact O-CB 3.29Å; F200-K204 WeakPolarHBondContact O-CB 3.48Å; F200-K204 PolarHBondContact O-N 3.15Å
201K89.9Confident88.8Confident84 Ų8484 Ų8437%0.36541%0.41SS..Hα-helixtrans-60.1-41.4176.1-73.9-172.3-65.1-1750111.9F197 S198 E199 K204 R205F197-K201 HydrophobicContact CD1-CD 4.28Å; F197-K201 HydrophobicContact CE1-CD 3.69Å; F197-K201 HydrophobicContact CE1-CG 4.28Å; F197-K201 HydrophobicContact CE2-CD 4.48Å; F197-K201 HydrophobicContact CE2-CG 4.26Å; F197-K201 HydrophobicContact CZ-CD 3.8Å; F197-K201 HydrophobicContact CZ-CG 4.07Å; F197-K201 WeakPolarHBondContact O-CG 3.38Å; F197-K201 PolarHBondContact O-N 2.89Å; S198-K201 PolarHBondContact O-N 3.3Å; E199-K201 PolarHBondContact O-N 2.9Å; K201-K204 PolarHBondContact O-N 2.84Å; K201-R205 WeakPolarHBondContact O-CG 3.49Å; K201-R205 PolarHBondContact O-N 2.95Å
202R90.1Very high88.3Confident112 Ų11287.4 Ų87.442%0.42342%0.419SS..Hα-helixtrans-62.3-49177.6-172.5-173.165.6691.6111.2S198 E199 F200 K204 R205 Q206S198-R202 PolarHBondContact O-N 3.24Å; E199-R202 WeakPolarHBondContact O-CB 2.93Å; E199-R202 PolarHBondContact O-N 2.98Å; E199-R202 IonicContact OE1-CZ 2.79Å; E199-R202 IonicContact OE1-NE 3.89Å; E199-R202 PolarHBondContact OE1-NE 3.41Å; E199-R202 IonicContact OE1-NH2 3.12Å; E199-R202 IonicContact OE2-CZ 3.93Å; E199-R202 IonicContact OE2-NE 3.37Å; E199-R202 PolarHBondContact OE2-NE 3.01Å; E199-R202 IonicContact OE2-NH2 3.69Å; E199-R202 PolarHBondContact OE2-NH2 3.33Å; F200-R202 VanDerWaalsContact C-N 3.32Å; F200-R202 PolarHBondContact O-N 3.42Å; R202-K204 VanDerWaalsContact C-N 3.35Å; R202-R205 PolarHBondContact O-N 2.91Å; R202-Q206 PolarHBondContact O-N 3.29Å; R202-Q206 VanDerWaalsContact O-N 3.08Å
203L88.5Confident87.8Confident85 Ų8588.5 Ų88.545%0.44542%0.423SS..Hα-helixtrans-63.8-40.4178.3-70.7173.5000111.7E199 F200 Q206 S207E199-L203 WeakPolarHBondContact O-CB 3.43Å; E199-L203 WeakPolarHBondContact O-CG 3.43Å; E199-L203 PolarHBondContact O-N 3.03Å; F200-L203 PolarHBondContact O-N 3.35Å; L203-Q206 PolarHBondContact O-N 3.2Å; L203-S207 PolarHBondContact O-N 2.79Å
204K89.4Confident87.3Confident101 Ų10188 Ų8844%0.43941%0.414SS..Hα-helixtrans-62.9-48.7178.5-172.556.9179.5147.90111.5F200 K201 R202 Q206 S207 D208F200-K204 VanDerWaalsContact O-CB 3.29Å; F200-K204 WeakPolarHBondContact O-CB 3.48Å; F200-K204 PolarHBondContact O-N 3.15Å; K201-K204 PolarHBondContact O-N 2.84Å; R202-K204 VanDerWaalsContact C-N 3.35Å; K204-Q206 VanDerWaalsContact C-N 3.3Å; K204-Q206 PolarHBondContact O-N 2.88Å; K204-S207 WeakPolarHBondContact O-CB 3.23Å; K204-S207 PolarHBondContact O-N 2.92Å; K204-S207 VanDerWaalsContact O-N 3.13Å; K204-D208 WeakPolarHBondContact CE-OD1 3.24Å; K204-D208 IonicContact NZ-OD1 3.91Å; K204-D208 PolarHBondContact NZ-OD1 2.85Å; K204-D208 IonicContact NZ-OD2 2.69Å; K204-D208 PolarHBondContact O-N 2.83Å
205R89.1Confident86.9Confident163 Ų16392.4 Ų92.462%0.61543%0.43SS*.Hα-helixtrans-57.6-41.8174-70.3-179.8-163.8120.4-7.1112.7K201 R202 S207 D208 F209K201-R205 WeakPolarHBondContact O-CG 3.49Å; K201-R205 PolarHBondContact O-N 2.95Å; R202-R205 PolarHBondContact O-N 2.91Å; R205-S207 VanDerWaalsContact C-N 3.34Å; R205-D208 PolarHBondContact O-N 3.28Å; R205-F209 VanDerWaalsContact O-CB 3.32Å; R205-F209 WeakPolarHBondContact O-CB 3.35Å; R205-F209 PolarHBondContact O-N 3.05Å
206Q82.9Confident86.6Confident87 Ų8796.2 Ų96.241%0.40744%0.443SS..Hα-helixtrans-65-40.1178.1-166-174.620.500111.8R202 L203 K204 R210R202-Q206 PolarHBondContact O-N 3.29Å; R202-Q206 VanDerWaalsContact O-N 3.08Å; L203-Q206 PolarHBondContact O-N 3.2Å; K204-Q206 VanDerWaalsContact C-N 3.3Å; K204-Q206 PolarHBondContact O-N 2.88Å; Q206-R210 WeakPolarHBondContact O-CG 3.32Å; Q206-R210 PolarHBondContact O-N 3.06Å; Q206-R210 VanDerWaalsContact O-N 3.11Å
207S83.8Confident86.1Confident35 Ų3599.5 Ų99.525%0.24546%0.456CS..Hα-helixtrans-65.3-46.3175.5-154.70000111.7L203 K204 R205 F209 R210 H211L203-S207 PolarHBondContact O-N 2.79Å; K204-S207 WeakPolarHBondContact O-CB 3.23Å; K204-S207 PolarHBondContact O-N 2.92Å; K204-S207 VanDerWaalsContact O-N 3.13Å; R205-S207 VanDerWaalsContact C-N 3.34Å; S207-F209 VanDerWaalsContact C-N 3.34Å; S207-F209 PolarHBondContact O-N 2.92Å; S207-R210 PolarHBondContact O-N 2.81Å; S207-H211 PolarHBondContact O-CD2 2.78Å; S207-H211 VanDerWaalsContact O-CD2 3.23Å; S207-H211 PolarHBondContact O-N 2.87Å
208D88.9Confident85.4Confident59 Ų5995.5 Ų95.532%0.31645%0.448SS..Hα-helixtrans-66.2-37.7-178.7-61-17.8000111.2K204 R205 H211 R212K204-D208 WeakPolarHBondContact CE-OD1 3.24Å; K204-D208 IonicContact NZ-OD1 3.91Å; K204-D208 PolarHBondContact NZ-OD1 2.85Å; K204-D208 IonicContact NZ-OD2 2.69Å; K204-D208 PolarHBondContact O-N 2.83Å; R205-D208 PolarHBondContact O-N 3.28Å; D208-H211 PolarHBondContact O-N 2.76Å; D208-R212 WeakPolarHBondContact O-CG 3.36Å; D208-R212 PolarHBondContact O-N 3.44Å
209F81.6Confident84.3Confident136 Ų13699.7 Ų99.760%0.59646%0.462SS*.Hα-helixtrans-60.3-46.6171.7179-94000111.8R205 S207 R212 Q213R205-F209 VanDerWaalsContact O-CB 3.32Å; R205-F209 WeakPolarHBondContact O-CB 3.35Å; R205-F209 PolarHBondContact O-N 3.05Å; S207-F209 VanDerWaalsContact C-N 3.34Å; S207-F209 PolarHBondContact O-N 2.92Å; F209-R212 PolarHBondContact O-N 3.46Å; F209-Q213 WeakPolarHBondContact O-CB 3.44Å; F209-Q213 PolarHBondContact O-N 3.27Å
210R80.3Confident83.1Confident58 Ų58105.4 Ų105.422%0.21949%0.488CS..Hα-helixtrans-61.8-43.6176.6-76.5-173.3-64.6-114.1-2.6112.2Q206 S207 R212 Q213 Q214Q206-R210 WeakPolarHBondContact O-CG 3.32Å; Q206-R210 PolarHBondContact O-N 3.06Å; Q206-R210 VanDerWaalsContact O-N 3.11Å; S207-R210 PolarHBondContact O-N 2.81Å; R210-R212 PolarHBondContact O-N 2.88Å; R210-Q213 PolarHBondContact O-N 3.05Å; R210-Q213 VanDerWaalsContact O-N 3.16Å; R210-Q214 WeakPolarHBondContact O-CG 3.43Å; R210-Q214 PolarHBondContact O-N 2.86Å
211H82.6Confident81.9Confident94 Ų94102.2 Ų102.244%0.43549%0.486SS..Hα-helixtrans-60.6-43.5177.5-80.3-57.4000112.2S207 D208 Q213 Q214 Q215S207-H211 PolarHBondContact O-CD2 2.78Å; S207-H211 VanDerWaalsContact O-CD2 3.23Å; S207-H211 PolarHBondContact O-N 2.87Å; D208-H211 PolarHBondContact O-N 2.76Å; H211-Q213 VanDerWaalsContact C-N 3.32Å; H211-Q213 PolarHBondContact O-N 2.85Å; H211-Q214 PolarHBondContact O-N 3.29Å; H211-Q215 WeakPolarHBondContact O-CG 3.4Å; H211-Q215 PolarHBondContact O-N 3.23Å
212R84.4Confident80.8Confident183 Ų18398.6 Ų98.669%0.69147%0.471SS*.Hα-helixtrans-62.3-41174.3-72.1-177.8-175.3179.80.2112D208 F209 R210 Q214 Q215 L216D208-R212 WeakPolarHBondContact O-CG 3.36Å; D208-R212 PolarHBondContact O-N 3.44Å; F209-R212 PolarHBondContact O-N 3.46Å; R210-R212 PolarHBondContact O-N 2.88Å; R212-Q214 VanDerWaalsContact C-N 3.35Å; R212-Q215 PolarHBondContact O-N 3.48Å; R212-L216 WeakPolarHBondContact O-CG 3.46Å; R212-L216 PolarHBondContact O-N 3.03Å
213Q81Confident79.6Confident64 Ų6495 Ų9530%0.29946%0.462SS..Hα-helixtrans-66.4-38.1179.8-156.8-168.1-37.800111.8F209 R210 H211 L216 L217 V222F209-Q213 WeakPolarHBondContact O-CB 3.44Å; F209-Q213 PolarHBondContact O-N 3.27Å; R210-Q213 PolarHBondContact O-N 3.05Å; R210-Q213 VanDerWaalsContact O-N 3.16Å; H211-Q213 VanDerWaalsContact C-N 3.32Å; H211-Q213 PolarHBondContact O-N 2.85Å; Q213-L216 PolarHBondContact O-N 3.16Å; Q213-L217 HydrophobicContact CG-CD1 3.88Å; Q213-L217 WeakPolarHBondContact O-CB 3.5Å; Q213-L217 PolarHBondContact O-N 3.17Å; Q213-V222 HydrophobicContact CB-CG1 4.16Å; Q213-V222 HydrophobicContact CB-CG2 4.09Å; Q213-V222 HydrophobicContact CG-CG1 4.28Å; Q213-V222 HydrophobicContact CG-CG2 3.65Å; Q213-V222 VanDerWaalsContact NE2-CG2 3.3Å
214Q83Confident78.4Confident26 Ų2696.3 Ų96.312%0.12147%0.469CS..Hα-helixtrans-63.5-39.3172.8-76.3178.8-29.400112.5R210 H211 R212 L216 G218 V222R210-Q214 WeakPolarHBondContact O-CG 3.43Å; R210-Q214 PolarHBondContact O-N 2.86Å; H211-Q214 PolarHBondContact O-N 3.29Å; R212-Q214 VanDerWaalsContact C-N 3.35Å; Q214-L216 VanDerWaalsContact C-N 3.28Å; Q214-L216 PolarHBondContact O-N 3.18Å; Q214-G218 CarbonylContact O-C 3.44Å; Q214-G218 VanDerWaalsContact O-CA 3.25Å; Q214-G218 WeakPolarHBondContact O-CA 3.47Å; Q214-G218 PolarHBondContact O-N 3.24Å; Q214-V222 HydrophobicContact CG-CB 3.76Å; Q214-V222 HydrophobicContact CG-CG1 4.13Å; Q214-V222 PolarHBondContact NE2-O 2.99Å
215Q83.6Confident77Confident164 Ų16495.8 Ų95.877%0.76647%0.469SS*.Hα-helixtrans-63.7-32.7175.8-73.8176-12.800112.7H211 R212H211-Q215 WeakPolarHBondContact O-CG 3.4Å; H211-Q215 PolarHBondContact O-N 3.23Å; R212-Q215 PolarHBondContact O-N 3.48Å
216L85.6Confident75.7Confident149 Ų14991 Ų9178%0.7846%0.459SS*.Hα-helixtrans-86.7-39.4-178.3-66.7173.8000113.7R212 Q213 Q214R212-L216 WeakPolarHBondContact O-CG 3.46Å; R212-L216 PolarHBondContact O-N 3.03Å; Q213-L216 PolarHBondContact O-N 3.16Å; Q214-L216 VanDerWaalsContact C-N 3.28Å; Q214-L216 PolarHBondContact O-N 3.18Å
217L81.6Confident74.7Confident107 Ų10791.9 Ų91.956%0.5647%0.466SS*.Hα-helixtrans-107.7-4.1-171.1-63.3175.6000113.8Q213 A221 V222Q213-L217 HydrophobicContact CG-CD1 3.88Å; Q213-L217 WeakPolarHBondContact O-CB 3.5Å; Q213-L217 PolarHBondContact O-N 3.17Å; L217-A221 HydrophobicContact CB-CB 3.84Å; L217-A221 VanDerWaalsContact O-CB 3.31Å; L217-A221 WeakPolarHBondContact O-CB 3.49Å; L217-V222 HydrophobicContact CB-CG2 4.1Å; L217-V222 HydrophobicContact CD1-CG2 4.16Å
218G75.9Confident73.6Confident36 Ų3699.1 Ų99.137%0.37149%0.488SS..  trans83.1158.7-172.300000113Q214 E220 A221Q214-G218 CarbonylContact O-C 3.44Å; Q214-G218 VanDerWaalsContact O-CA 3.25Å; Q214-G218 WeakPolarHBondContact O-CA 3.47Å; Q214-G218 PolarHBondContact O-N 3.24Å; G218-E220 VanDerWaalsContact C-N 3.3Å; G218-E220 PolarHBondContact O-N 3.14Å; G218-A221 PolarHBondContact O-N 3.25Å
219E67.1Low72.1Confident142 Ų142104.4 Ų104.466%0.66450%0.504SS*.THydrogen-bonded Turntrans-66.8-30.6-175.3-164.2168.8-173.600112.7
220E64.7Low71Confident198 Ų198102.3 Ų102.393%0.92550%0.498SS*.THydrogen-bonded Turntrans-70.2-31.8178.7-66.4-140.2151.400113.7G218G218-E220 VanDerWaalsContact C-N 3.3Å; G218-E220 PolarHBondContact O-N 3.14Å
221A66.8Low70Confident63 Ų63105.8 Ų105.852%0.52152%0.52SS..THydrogen-bonded Turntrans-79.7-22.3-177.700000113L217 G218L217-A221 HydrophobicContact CB-CB 3.84Å; L217-A221 VanDerWaalsContact O-CB 3.31Å; L217-A221 WeakPolarHBondContact O-CB 3.49Å; G218-A221 PolarHBondContact O-N 3.25Å
222V67Low68.6Low8 Ų8107.6 Ų107.65%0.04853%0.533CS..SBendtrans-127.988.7-174.4-168.80000110.6Q213 Q214 L217Q213-V222 HydrophobicContact CB-CG1 4.16Å; Q213-V222 HydrophobicContact CB-CG2 4.09Å; Q213-V222 HydrophobicContact CG-CG1 4.28Å; Q213-V222 HydrophobicContact CG-CG2 3.65Å; Q213-V222 VanDerWaalsContact NE2-CG2 3.3Å; Q214-V222 HydrophobicContact CG-CB 3.76Å; Q214-V222 HydrophobicContact CG-CG1 4.13Å; Q214-V222 PolarHBondContact NE2-O 2.99Å; L217-V222 HydrophobicContact CB-CG2 4.1Å; L217-V222 HydrophobicContact CD1-CG2 4.16Å
223P64.6Low67Low38 Ų38101.5 Ų101.525%0.24753%0.527CS..  trans-64.4143.9-178.919.7-28.7000112.8M225 L227 L230P223-M225 PolarHBondContact O-N 3.12Å; P223-L227 HydrophobicContact CG-CD2 4.02Å; P223-L227 HydrophobicContact CG-CG 3.9Å; P223-L230 HydrophobicContact CB-CD1 3.14Å; P223-L230 HydrophobicContact CG-CD1 3.8Å
224L62.9Low65.6Low112 Ų112106.6 Ų106.659%0.58655%0.551SS**SBendtrans-63.8-21.6176.7-68.8173000113.3
225M59.3Low63.8Low89 Ų89109.1 Ų109.144%0.43857%0.571SS.*SBendtrans-113.2151.2176.6-60.8-157.685.500111.4P223 L227 L230P223-M225 PolarHBondContact O-N 3.12Å; M225-L227 PolarHBondContact O-N 3.1Å; M225-L230 HydrophobicContact CB-CD1 4.49Å; M225-L230 HydrophobicContact CB-CD2 4.33Å; M225-L230 HydrophobicContact CB-CG 4.23Å
226P63.3Low62Low62 Ų62109.8 Ų109.840%0.40357%0.574SS.*  trans-52131.4173.7-24.233.1000110.5R228 R229P226-R228 HydrophobicContact CB-CG 4.05Å; P226-R228 PolarHBondContact O-N 2.84Å; P226-R229 WeakPolarHBondContact O-CB 3.37Å; P226-R229 PolarHBondContact O-N 3.4Å
227L60.9Low60Low106 Ų106112.6 Ų112.656%0.55558%0.575SS**Hα-helixtrans-46.8-38-178.8-83.7151.2000112.6P223 M225 R229 L230 L231P223-L227 HydrophobicContact CG-CD2 4.02Å; P223-L227 HydrophobicContact CG-CG 3.9Å; M225-L227 PolarHBondContact O-N 3.1Å; L227-R229 VanDerWaalsContact C-N 3.26Å; L227-R229 PolarHBondContact O-N 3.32Å; L227-L230 CarbonylContact O-C 3.57Å; L227-L230 PolarHBondContact O-N 2.78Å; L227-L231 HydrophobicContact CB-CD1 3.94Å; L227-L231 HydrophobicContact CD2-CD1 3.98Å; L227-L231 HydrophobicContact CD2-CG 4.39Å; L227-L231 VanDerWaalsContact O-CB 3.26Å; L227-L231 WeakPolarHBondContact O-CB 3.47Å; L227-L231 VanDerWaalsContact O-CG 3.29Å; L227-L231 WeakPolarHBondContact O-CG 3.36Å; L227-L231 PolarHBondContact O-N 2.86Å
228R61.2Low58.3Low187 Ų187117.2 Ų117.271%0.70659%0.585SS**Hα-helixtrans-57-29.9174.367.6177.8-177.4167.11.3115.3P226 N232P226-R228 HydrophobicContact CB-CG 4.05Å; P226-R228 PolarHBondContact O-N 2.84Å; R228-N232 WeakPolarHBondContact O-CA 3.42Å; R228-N232 WeakPolarHBondContact O-CB 3.49Å; R228-N232 PolarHBondContact O-N 2.78Å
229R57.7Low56.6Low170 Ų170120.5 Ų120.564%0.64260%0.6SS**Hα-helixtrans-81.3-24.4176-78.6-168.9166.8-175.8-4112.4P226 L227P226-R229 WeakPolarHBondContact O-CB 3.37Å; P226-R229 PolarHBondContact O-N 3.4Å; L227-R229 VanDerWaalsContact C-N 3.26Å; L227-R229 PolarHBondContact O-N 3.32Å
230L58.3Low55.8Low92 Ų92119.4 Ų119.448%0.48261%0.605SS.*Hα-helixtrans-85.6-40175.6-63.6174000111.4P223 M225 L227P223-L230 HydrophobicContact CB-CD1 3.14Å; P223-L230 HydrophobicContact CG-CD1 3.8Å; M225-L230 HydrophobicContact CB-CD1 4.49Å; M225-L230 HydrophobicContact CB-CD2 4.33Å; M225-L230 HydrophobicContact CB-CG 4.23Å; L227-L230 CarbonylContact O-C 3.57Å; L227-L230 PolarHBondContact O-N 2.78Å
231L59.3Low55.1Low131 Ų131114.1 Ų114.169%0.68660%0.596SS**Hα-helixtrans-84-31.9-178.3-63.4170.6000112.4L227 G233L227-L231 HydrophobicContact CB-CD1 3.94Å; L227-L231 HydrophobicContact CD2-CD1 3.98Å; L227-L231 HydrophobicContact CD2-CG 4.39Å; L227-L231 VanDerWaalsContact O-CB 3.26Å; L227-L231 WeakPolarHBondContact O-CB 3.47Å; L227-L231 VanDerWaalsContact O-CG 3.29Å; L227-L231 WeakPolarHBondContact O-CG 3.36Å; L227-L231 PolarHBondContact O-N 2.86Å; L231-G233 PolarHBondContact O-N 3.45Å
232N52.4Low53.9Low133 Ų133119.9 Ų119.971%0.71161%0.612SS**THydrogen-bonded Turntrans-91.241.9170-63.323.6000111.7R228 Q234R228-N232 WeakPolarHBondContact O-CA 3.42Å; R228-N232 WeakPolarHBondContact O-CB 3.49Å; R228-N232 PolarHBondContact O-N 2.78Å; N232-Q234 PolarHBondContact O-N 3.45Å
233G50.3Low52.9Low54 Ų54126.2 Ų126.256%0.55765%0.645SS**  trans-75.330176.100000114.8L231 C235L231-G233 PolarHBondContact O-N 3.45Å; G233-C235 PolarHBondContact O-N 3.21Å
234Q52.4Low52Low171 Ų171131 Ų13180%0.79968%0.676SS**  trans-77.477.1161.5-98.2-177.6-23.100108.4N232N232-Q234 PolarHBondContact O-N 3.45Å
235C44.3Very low51.6Low80 Ų80127.9 Ų127.954%0.54167%0.672SS.*  trans-86.6107.5162.9-169.90000107.1G233 Y237 R238G233-C235 PolarHBondContact O-N 3.21Å; C235-Y237 PolarHBondContact O-N 3.34Å; C235-R238 PolarHBondContact O-N 3.3Å; C235-R238 VanDerWaalsContact O-N 3.09Å
236H46.3Very low51.3Low178 Ų178130.7 Ų130.782%0.82469%0.694SS**THydrogen-bonded Turntrans-64.93.9176.2-70.2-79.7000114.2
237Y44Very low50.2Low207 Ų207133.9 Ų133.981%0.81271%0.712SS**THydrogen-bonded Turntrans-105.3-0.7175.2-148-94.3000113.2C235 P239C235-Y237 PolarHBondContact O-N 3.34Å; Y237-P239 WeakPolarHBondContact O-CD 3.37Å
238R45.9Very low49.5Very low204 Ų204135.7 Ų135.777%0.7773%0.728SS**SBendtrans-91.4113.7173.9-161.2175.7-149.2160.34.5107.9C235C235-R238 PolarHBondContact O-N 3.3Å; C235-R238 VanDerWaalsContact O-N 3.09Å
239P39.4Very low48.7Very low106 Ų106138.2 Ų138.269%0.68874%0.737SS**PPolyproline II helixtrans-57.2137.2168-15.528.6000107.6Y237 A241Y237-P239 WeakPolarHBondContact O-CD 3.37Å; P239-A241 PolarHBondContact O-N 3.49Å
240P50.2Low47.9Very low119 Ų119138.4 Ų138.477%0.77375%0.75SS**PPolyproline II helixtrans-49.6137.3170.8-21.931.8000108.6E242P240-E242 PolarHBondContact O-N 3.02Å
241A50Low47Very low87 Ų87139.4 Ų139.472%0.71976%0.764SS**PPolyproline II helixtrans-55.3118.2170.900000107.3P239 N243P239-A241 PolarHBondContact O-N 3.49Å; A241-N243 VanDerWaalsContact C-N 3.35Å; A241-N243 PolarHBondContact O-N 3.39Å
242E41.4Very low46.2Very low184 Ų184138.6 Ų138.686%0.8677%0.769SS**  trans-61.2103.3169.8-66.7-166.9167.200106.5P240 P244P240-E242 PolarHBondContact O-N 3.02Å; E242-P244 VanDerWaalsContact O-CD 3.23Å; E242-P244 WeakPolarHBondContact O-CD 3.27Å
243N46.3Very low45.6Very low140 Ų140139.8 Ų139.875%0.74977%0.774SS**  trans-62.2115.5161.9-78.6-37.8000105.8A241 G245A241-N243 VanDerWaalsContact C-N 3.35Å; A241-N243 PolarHBondContact O-N 3.39Å; N243-G245 PolarHBondContact O-N 2.7Å
244P47.2Very low45.6Very low138 Ų138145.9 Ų145.990%0.89679%0.788SS**SBendtrans-78.777.2175.833-29.3000107.1E242E242-P244 VanDerWaalsContact O-CD 3.23Å; E242-P244 WeakPolarHBondContact O-CD 3.27Å
245G53.3Low45Very low48 Ų48145.1 Ų145.150%0.49579%0.789SS.*SBendtrans-173.7102.9-17700000108.1N243N243-G245 PolarHBondContact O-N 2.7Å
246T53Low44.7Very low148 Ų148146.9 Ų146.991%0.90880%0.803SS**SBendtrans90.552.3176.9-20.40000116.2
247T39.5Very low44.2Very low129 Ų129149.9 Ų149.979%0.79181%0.807SS**  trans-136.2118.9147.956.50000109R249T247-R249 PolarHBondContact O-N 2.93Å
248T47.5Very low43.7Very low143 Ų143147 Ų14788%0.87781%0.805SS**  trans-44.8117.8173.3-80000109.6L250T248-L250 PolarHBondContact O-N 3.08Å
249R43.2Very low43.2Very low240 Ų240146 Ų14691%0.90681%0.806SS**  trans-58.4112.3177.3-72.7-169.1175-163.9-0.1108.8T247 C251T247-R249 PolarHBondContact O-N 2.93Å; R249-C251 PolarHBondContact O-N 3.03Å; R249-C251 VanDerWaalsContact O-N 3.16Å
250L42Very low43Very low174 Ų174147.1 Ų147.191%0.91181%0.806SS**  trans-69.8106.7165.1-77.2162.5000107.2T248T248-L250 PolarHBondContact O-N 3.08Å
251C38.2Very low42.3Very low114 Ų114147.5 Ų147.577%0.7780%0.802SS**  trans-62.9143.6173-74.30000110.5R249 I253R249-C251 PolarHBondContact O-N 3.03Å; R249-C251 VanDerWaalsContact O-N 3.16Å; C251-I253 PolarHBondContact O-N 2.88Å
252S42.8Very low41.8Very low113 Ų113150.5 Ų150.579%0.7980%0.801SS**  trans-55.5128.1169.250.40000110.4Q254S252-Q254 PolarHBondContact O-N 3.14Å; S252-Q254 VanDerWaalsContact O-N 3.14Å
253I41Very low41.8Very low159 Ų159147.9 Ų147.982%0.81579%0.789SS**  trans-64.5112172.7-62.3169.1000107.5C251C251-I253 PolarHBondContact O-N 2.88Å
254Q49.5Very low41.5Very low181 Ų181148.7 Ų148.785%0.84679%0.786SS**  trans-90.2116.1169.2-160.3176.6-0.600107.1S252 S256S252-Q254 PolarHBondContact O-N 3.14Å; S252-Q254 VanDerWaalsContact O-N 3.14Å; Q254-S256 PolarHBondContact O-N 3.37Å
255D40Very low41.1Very low155 Ų155150 Ų15083%0.82978%0.78SS**  trans-66.596.1175-81.5-29000110R257D255-R257 PolarHBondContact O-N 2.97Å
256S37.3Very low40.5Very low118 Ų118151.4 Ų151.483%0.82579%0.787SS**  trans-85.297.5168.258.50000109.9Q254 N258Q254-S256 PolarHBondContact O-N 3.37Å; S256-N258 PolarHBondContact O-N 3.4Å
257R37Very low40Very low241 Ų241154 Ų15491%0.90979%0.786SS**  trans-63.3120.4163-107.9172.4170.4167.5-3.5109.9D255D255-R257 PolarHBondContact O-N 2.97Å
258N33.8Very low40.2Very low146 Ų146156.4 Ų156.478%0.78179%0.788SS**  trans47.7105.4151.2-76.6-5.9000120.8S256S256-N258 PolarHBondContact O-N 3.4Å
259K34.8Very low39.9Very low183 Ų183158.1 Ų158.180%0.79678%0.783SS**  34.7113.7109.8-78.4-172.7179.8178.60118.2
260N35.3Very low39.5Very low129 Ų129159.6 Ų159.669%0.6980%0.8SS**  157.9118.9110.5-87.1-8.7000108.5
261N34.4Very low39.4Very low127 Ų127158.9 Ų158.968%0.67980%0.795SS**  64.2126.6104.4-74.221.7000111.4
262E39.7Very low39.4Very low150 Ų150161.3 Ų161.370%0.70180%0.796SS**  cis-174.5154.332.7-112.7154.5-144.900108.5
263E41.6Very low39.2Very low130 Ų130163.9 Ų163.961%0.60780%0.796SS**  trans59.5117.8138.5-69.3-166158.300122.4
264K39.5Very low39.1Very low156 Ų156164.2 Ų164.268%0.67880%0.795SS**  91.6146.9107.2-79.8179.2-171.1152.20112.1
265E39.5Very low38.5Very low167 Ų167163.2 Ų163.278%0.7879%0.792SS**  cis-172156-11.3-167.4179.1174.500104.9
266A41.1Very low38.4Very low77 Ų77163.7 Ų163.764%0.63679%0.79SS**  trans67.4111152.600000122.5
267K42.3Very low38.5Very low203 Ų203167 Ų16788%0.88379%0.787SS**  72.2117.7118.4-69-178.8178.6176.20121.4
268E43.4Very low38.6Very low178 Ų178161.3 Ų161.383%0.83278%0.778SS**  trans-31.5120.4142.5-166-176.8-174.300115.4
269K40.8Very low39Very low180 Ų180162.6 Ų162.678%0.78378%0.778SS**  165.9136.3120.8-90.1-175.7-178.4-175.30111.5
270Q35.3Very low39.3Very low271 Ų271160.7 Ų160.7100%1.26678%0.776SS**  trans76.90169.6-94.7162.9-35.900118.3

Retrieved 270 of 270 residues in 131 ms (Link to these results)