A0A087Y768_POEFO Loading...

E2F transcription factor 1

AlphaFold DB , UniProt , Accession A0A087Y768, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 428 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.4Very low39.2Very low242 Ų242133.6 Ų133.6100%1.19275%0.754SS**  0105.10-76.8-156.8-93.500107.6
2S30.4Very low40.2Very low113 Ų113135.2 Ų135.279%0.7975%0.75SS**  trans-143.599.9170.9-51.20000104.4T4S2-T4 PolarHBondContact O-N 3.03Å
3E32.6Very low40.5Very low181 Ų181131.8 Ų131.885%0.84673%0.73SS**  trans-79103.6179.7-68.2175.6132.400108.5L5E3-L5 VanDerWaalsContact C-N 3.34Å; E3-L5 PolarHBondContact O-N 3.36Å; E3-L5 VanDerWaalsContact O-N 3.08Å
4T33.1Very low41.1Very low127 Ų127130.1 Ų130.178%0.77972%0.719SS**  trans-77.987.9168.343.60000109.1S2 I6S2-T4 PolarHBondContact O-N 3.03Å; T4-I6 PolarHBondContact O-N 2.79Å; T4-I6 VanDerWaalsContact O-N 3.08Å
5L34.2Very low41.3Very low153 Ų153129.5 Ų129.580%0.80171%0.713SS**  trans-6598.3168.3-81.3157.2000110E3E3-L5 VanDerWaalsContact C-N 3.34Å; E3-L5 PolarHBondContact O-N 3.36Å; E3-L5 VanDerWaalsContact O-N 3.08Å
6I36Very low41.6Very low154 Ų154124.7 Ų124.779%0.7970%0.695SS**  trans-83.5116.7169.2-58.5176.8000107.9T4T4-I6 PolarHBondContact O-N 2.79Å; T4-I6 VanDerWaalsContact O-N 3.08Å
7T42.6Very low42Very low112 Ų112123.5 Ų123.569%0.68769%0.688SS**  trans-103.782.8179.6-53.80000109.2Q9T7-Q9 HydrophobicContact CG2-CG 4.49Å
8G38.5Very low42.4Very low49 Ų49124.4 Ų124.451%0.50568%0.683SS.*  trans-77126.3168.200000110.1
9Q49.8Very low42.5Very low176 Ų176124.7 Ų124.782%0.82268%0.679SS**  trans-95.9-10.2-177.8-75.5-167.7-7.400114.3T7T7-Q9 HydrophobicContact CG2-CG 4.49Å
10T51.5Low42.8Very low70 Ų70123 Ų12343%0.42967%0.673SS.*SBendtrans-136.9161.9175.974.90000112E12 D13T10-E12 VanDerWaalsContact C-N 3.27Å; T10-E12 PolarHBondContact O-N 2.93Å; T10-D13 PolarHBondContact OG1-OD2 3.16Å; T10-D13 VanDerWaalsContact OG1-OD2 3.05Å
11S41.9Very low43.1Very low93 Ų93122.4 Ų122.465%0.6567%0.669SS**THydrogen-bonded Turntrans-75.9-11.9177.646.50000114.1
12E51.1Low43.3Very low152 Ų152117.5 Ų117.571%0.7165%0.646SS**THydrogen-bonded Turntrans-83.2-37.3-175.9-65.1-179.8132.900111.8T10 L14 L15 A16T10-E12 VanDerWaalsContact C-N 3.27Å; T10-E12 PolarHBondContact O-N 2.93Å; E12-L14 VanDerWaalsContact C-N 3.29Å; E12-L14 PolarHBondContact O-N 3.21Å; E12-L15 WeakPolarHBondContact O-CB 3.38Å; E12-L15 PolarHBondContact O-N 2.83Å; E12-A16 PolarHBondContact O-N 2.9Å
13D45Very low43.8Very low92 Ų92118.1 Ų118.149%0.49264%0.641SS.*Hα-helixtrans-58.4-41176.2-60.6-50.7000111.9T10 L15 A16 D17T10-D13 PolarHBondContact OG1-OD2 3.16Å; T10-D13 VanDerWaalsContact OG1-OD2 3.05Å; D13-L15 PolarHBondContact O-N 2.68Å; D13-A16 PolarHBondContact O-N 3.4Å; D13-D17 PolarHBondContact O-N 3.33Å
14L48.6Very low44.3Very low108 Ų108113 Ų11357%0.56563%0.625SS**Hα-helixtrans-67.7-22177.7-69.3173.3000113.4E12 F18E12-L14 VanDerWaalsContact C-N 3.29Å; E12-L14 PolarHBondContact O-N 3.21Å; L14-F18 WeakPolarHBondContact O-CD2 3.13Å; L14-F18 PolarHBondContact O-N 3.17Å
15L43.8Very low44.7Very low120 Ų120109.7 Ų109.763%0.62862%0.616SS**Hα-helixtrans-81.1-38.4176.8-96151.6000111.3E12 D13 F18 E19E12-L15 WeakPolarHBondContact O-CB 3.38Å; E12-L15 PolarHBondContact O-N 2.83Å; D13-L15 PolarHBondContact O-N 2.68Å; L15-F18 PolarHBondContact O-N 3.34Å; L15-E19 WeakPolarHBondContact O-CB 3.45Å; L15-E19 PolarHBondContact O-N 2.99Å
16A46.2Very low44.9Very low53 Ų53105.5 Ų105.544%0.43860%0.599SS.*Hα-helixtrans-65.2-40.9176.300000112.8E12 D13 F18 E19 T20E12-A16 PolarHBondContact O-N 2.9Å; D13-A16 PolarHBondContact O-N 3.4Å; A16-F18 VanDerWaalsContact C-N 3.3Å; A16-F18 PolarHBondContact O-N 2.9Å; A16-E19 PolarHBondContact O-N 3.23Å; A16-T20 WeakPolarHBondContact O-CG2 3.3Å; A16-T20 PolarHBondContact O-N 3.19Å; A16-T20 PolarHBondContact O-OG1 3.13Å
17D49.3Very low45.4Very low105 Ų105102.5 Ų102.556%0.56158%0.584SS**Hα-helixtrans-66.2-31.8174.3-77.5-10000112.2D13 T20 L21D13-D17 PolarHBondContact O-N 3.33Å; D17-T20 WeakPolarHBondContact CA-OG1 3.42Å; D17-T20 PolarHBondContact O-OG1 2.9Å; D17-T20 VanDerWaalsContact O-OG1 3.07Å; D17-L21 PolarHBondContact O-N 2.96Å
18F47.6Very low45.1Very low140 Ų140104.6 Ų104.661%0.61459%0.591SS**Hα-helixtrans-74.2-38.3174.1-103.8-96.1000113L14 L15 A16 L21 L22L14-F18 WeakPolarHBondContact O-CD2 3.13Å; L14-F18 PolarHBondContact O-N 3.17Å; L15-F18 PolarHBondContact O-N 3.34Å; A16-F18 VanDerWaalsContact C-N 3.3Å; A16-F18 PolarHBondContact O-N 2.9Å; F18-L21 PolarHBondContact O-N 3.16Å; F18-L22 PolarHBondContact O-N 3.37Å; F18-L22 VanDerWaalsContact O-N 3.14Å
19E45.6Very low45.3Very low130 Ų130106.3 Ų106.361%0.60759%0.588SS**Hα-helixtrans-70.9-36.2179.7-166171-141.600111.5L15 A16 L22 N23L15-E19 WeakPolarHBondContact O-CB 3.45Å; L15-E19 PolarHBondContact O-N 2.99Å; A16-E19 PolarHBondContact O-N 3.23Å; E19-L22 PolarHBondContact O-N 3.14Å; E19-N23 VanDerWaalsContact O-CB 3.29Å; E19-N23 WeakPolarHBondContact O-CB 3.26Å; E19-N23 VanDerWaalsContact O-CG 3.27Å; E19-N23 PolarHBondContact O-N 3.17Å; E19-N23 PolarHBondContact O-ND2 3.01Å
20T47.4Very low44.7Very low89 Ų8999.9 Ų99.955%0.54657%0.57SS.*Hα-helixtrans-67.8-37.7172.648.40000113A16 D17 N23 S24A16-T20 WeakPolarHBondContact O-CG2 3.3Å; A16-T20 PolarHBondContact O-N 3.19Å; A16-T20 PolarHBondContact O-OG1 3.13Å; D17-T20 WeakPolarHBondContact CA-OG1 3.42Å; D17-T20 PolarHBondContact O-OG1 2.9Å; D17-T20 VanDerWaalsContact O-OG1 3.07Å; T20-N23 PolarHBondContact O-N 3.12Å; T20-S24 PolarHBondContact O-N 3.12Å
21L48.8Very low44.2Very low112 Ų112106.5 Ų106.559%0.58660%0.595SS**Hα-helixtrans-61.7-41.8172.5-90.1164.3000112.5D17 F18 S24D17-L21 PolarHBondContact O-N 2.96Å; F18-L21 PolarHBondContact O-N 3.16Å; L21-S24 PolarHBondContact O-OG 2.86Å
22L46.4Very low43.9Very low138 Ų138111.2 Ų111.272%0.72361%0.607SS**Hα-helixtrans-73.7-37.7178.2-70.5171.6000112.9F18 E19 S24F18-L22 PolarHBondContact O-N 3.37Å; F18-L22 VanDerWaalsContact O-N 3.14Å; E19-L22 PolarHBondContact O-N 3.14Å; L22-S24 PolarHBondContact O-N 3.07Å
23N40.5Very low43.3Very low126 Ų126108.2 Ų108.267%0.67459%0.593SS**Hα-helixtrans-70.7-11.3177.7-76.2-30.2000113.9E19 T20 G25E19-N23 VanDerWaalsContact O-CB 3.29Å; E19-N23 WeakPolarHBondContact O-CB 3.26Å; E19-N23 VanDerWaalsContact O-CG 3.27Å; E19-N23 PolarHBondContact O-N 3.17Å; E19-N23 PolarHBondContact O-ND2 3.01Å; T20-N23 PolarHBondContact O-N 3.12Å; N23-G25 PolarHBondContact O-N 2.88Å
24S42.8Very low42.9Very low75 Ų75112.1 Ų112.152%0.52461%0.608SS.*THydrogen-bonded Turntrans-69.7-18.4178.171.30000114.1T20 L21 L22 S26T20-S24 PolarHBondContact O-N 3.12Å; L21-S24 PolarHBondContact O-OG 2.86Å; L22-S24 PolarHBondContact O-N 3.07Å; S24-S26 PolarHBondContact O-N 3.46Å
25G40.6Very low42.5Very low56 Ų56111.2 Ų111.258%0.57760%0.603SS**  trans64.5-12.3160.500000118.4N23N23-G25 PolarHBondContact O-N 2.88Å
26S40.1Very low41.9Very low65 Ų65110 Ų11046%0.45560%0.6SS.*  trans-151.8120.1-174.5-172.90000110.8S24 Q260S24-S26 PolarHBondContact O-N 3.46Å; S26-Q260 PolarHBondContact OG-NE2 3.15Å
27I44.8Very low41.8Very low92 Ų92113.1 Ų113.147%0.47261%0.609SS.*  trans-96.5107.6167.2-53.4177.6000106.7L29 Y282I27-L29 HydrophobicContact CG2-CD2 3.68Å; I27-L29 HydrophobicContact CG2-CG 3.91Å; I27-L29 PolarHBondContact O-N 3.05Å; I27-L29 VanDerWaalsContact O-N 3.13Å; I27-Y282 HydrophobicContact CG2-CD2 3.8Å; I27-Y282 HydrophobicContact CG2-CE2 4.13Å
28D36.8Very low41.2Very low155 Ų155114 Ų11483%0.82961%0.612SS**  trans-76.694.9176.5-17127.2000109.9G30D28-G30 PolarHBondContact O-N 2.98Å
29L42.4Very low40.6Very low85 Ų85113.2 Ų113.245%0.44562%0.619SS.*  trans-90.393.4-177.6-67.6175.7000110.7I27 H33I27-L29 HydrophobicContact CG2-CD2 3.68Å; I27-L29 HydrophobicContact CG2-CG 3.91Å; I27-L29 PolarHBondContact O-N 3.05Å; I27-L29 VanDerWaalsContact O-N 3.13Å; L29-H33 HydrophobicContact CD2-CB 4.25Å
30G38.3Very low40.1Very low42 Ų42111.9 Ų111.943%0.43362%0.624SS.*  trans-57.9163.1170.100000113.7D28 E32 H33D28-G30 PolarHBondContact O-N 2.98Å; G30-E32 PolarHBondContact O-N 3.41Å; G30-H33 PolarHBondContact O-ND1 3.27Å
31E39.4Very low39.4Very low208 Ų208113.6 Ų113.697%0.97264%0.636SS**THydrogen-bonded Turntrans-61.15.2-157.3-58.6-173137.100119.1
32E36.1Very low38.6Very low193 Ų193113.6 Ų113.690%0.90265%0.646SS**THydrogen-bonded Turntrans-116.610-177.4-61.6-157.2175.400115.7G30 Q34G30-E32 PolarHBondContact O-N 3.41Å; E32-Q34 PolarHBondContact O-N 3.2Å
33H39.5Very low38Very low88 Ų88115 Ų11541%0.40765%0.654SS.*  trans-87.1108.4-178.2-63.592.7000113.7L29 G30L29-H33 HydrophobicContact CD2-CB 4.25Å; G30-H33 PolarHBondContact O-ND1 3.27Å
34Q35.3Very low37.7Very low174 Ų174117.9 Ų117.981%0.81366%0.663SS**  trans-86.5108.5173.8-172.4176.116.700111.9E32 V36E32-Q34 PolarHBondContact O-N 3.2Å; Q34-V36 HydrophobicContact CG-CG2 4.09Å; Q34-V36 PolarHBondContact O-N 3.43Å
35I40.4Very low37.1Very low90 Ų90117.4 Ų117.446%0.46267%0.671SS.*  trans-73.2109.8173.6-56.3175.9000109.9I37 L261 M263I35-I37 HydrophobicContact CG2-CG1 4.43Å; I35-L261 HydrophobicContact CD1-CD2 4.24Å; I35-M263 HydrophobicContact CD1-CE 4.45Å
36V32.6Very low36.6Very low94 Ų94123 Ų12357%0.5769%0.686SS**  trans-104.7103177.1-169.70000110.6Q34 I38Q34-V36 HydrophobicContact CG-CG2 4.09Å; Q34-V36 PolarHBondContact O-N 3.43Å; V36-I38 HydrophobicContact CB-CG1 4.45Å; V36-I38 HydrophobicContact CG1-CD1 4.13Å; V36-I38 HydrophobicContact CG1-CG1 3.63Å; V36-I38 PolarHBondContact O-N 3.02Å
37I42.5Very low36.1Very low119 Ų119128.4 Ų128.461%0.6170%0.704SS**  trans-78.299.7173-56.1176.9000109I35 T39I35-I37 HydrophobicContact CG2-CG1 4.43Å; I37-T39 PolarHBondContact O-N 2.86Å
38I37.6Very low36.1Very low122 Ų122129.7 Ų129.763%0.62672%0.719SS**  trans-96.288.7177.3-51.4180000110.3V36 S40V36-I38 HydrophobicContact CB-CG1 4.45Å; V36-I38 HydrophobicContact CG1-CD1 4.13Å; V36-I38 HydrophobicContact CG1-CG1 3.63Å; V36-I38 PolarHBondContact O-N 3.02Å; I38-S40 PolarHBondContact O-N 3.12Å
39T33.8Very low35.6Very low125 Ų125126.2 Ų126.277%0.76771%0.712SS**  trans-77.1105.9165.432.30000110.4I37I37-T39 PolarHBondContact O-N 2.86Å
40S35.1Very low35.1Very low101 Ų101128.9 Ų128.971%0.70673%0.731SS**PPolyproline II helixtrans-71.8127.7173.7-62.80000110.2I38I38-S40 PolarHBondContact O-N 3.12Å
41P33.8Very low34.7Very low125 Ų125131 Ų13181%0.81274%0.744SS**PPolyproline II helixtrans-70.7134.8-177.427.5-33.9000112N43P41-N43 PolarHBondContact O-N 2.94Å
42S32.6Very low34.6Very low112 Ų112126.6 Ų126.678%0.78373%0.734SS**PPolyproline II helixtrans-60.6123.1173.5-58.70000111.1E44S42-E44 PolarHBondContact O-N 3.4Å
43N32.8Very low34.3Very low168 Ų168123.6 Ų123.690%0.89873%0.729SS**  trans-83.379.4-179.8-166.736.9000110.8P41P41-N43 PolarHBondContact O-N 2.94Å
44E35Very low33.8Very low186 Ų186125 Ų12587%0.86975%0.749SS**  trans-82.4131.5171.6-73.1-152.2139.500112.4S42S42-E44 PolarHBondContact O-N 3.4Å
45G28.7Very low33.6Very low66 Ų66123.6 Ų123.668%0.6875%0.752SS**  trans108.497.6156.700000116.2
46L30.3Very low33.1Very low173 Ų173122.7 Ų122.791%0.90677%0.765SS**  trans-171.3103.8131.1-100.9162.2000111.3
47H30.1Very low33.1Very low178 Ų178127.2 Ų127.282%0.82478%0.78SS**  trans-146.7165.2162.6-107.6-81.7000106
48P44.8Very low32.7Very low120 Ų120128.9 Ų128.978%0.77979%0.789SS**  cis-124.6174.621.541.8-25.6000113.9
49A27.1Very low32.5Very low82 Ų82130.9 Ų130.968%0.67880%0.8SS**  -170.414089.700000114.8
50V31.9Very low32.3Very low141 Ų141132 Ų13286%0.85580%0.8SS**  trans69.6113.2152.2-178.80000119.2
51A29.1Very low32Very low86 Ų86136.9 Ų136.971%0.71181%0.809SS**  trans-88.3166.7157.200000110.9
52P37.4Very low31.8Very low115 Ų115134.7 Ų134.775%0.74780%0.802SS**  -145.8147.796.838.1-23.1000116.6
53T30.8Very low31.7Very low131 Ų131135.6 Ų135.680%0.80480%0.802SS**  trans17.5123.8147.258.90000120.7
54S29.4Very low32.3Very low118 Ų118132.2 Ų132.283%0.82579%0.79SS**  179.6134.8110-177.20000112.6
55T30.3Very low32.2Very low143 Ų143132.5 Ų132.588%0.87779%0.791SS**  trans-31.3138.7160.9-41.30000115.8
56G29.2Very low32.3Very low72 Ų72132.7 Ų132.774%0.74279%0.793SS**  trans167.3106.8164.700000113.5
57E33.5Very low32.9Very low189 Ų189130 Ų13088%0.88379%0.785SS**  trans-61.6149.1163.6-55.8177.6136.200110.5
58I32.7Very low32.9Very low154 Ų154128 Ų12879%0.7979%0.787SS**  trans-165117.8143-94.7139.6000108.3L60I58-L60 HydrophobicContact CG2-CB 4.41Å; I58-L60 HydrophobicContact CG2-CD1 4.27Å
59L33.3Very low32.2Very low163 Ų163129 Ų12985%0.85379%0.785SS**  trans-76.4134161.2-71.6164.1000108.8
60L31.3Very low32.5Very low149 Ų149131.3 Ų131.378%0.7879%0.79SS**  trans-157.290.5162.5-110166.1000111.1I58I58-L60 HydrophobicContact CG2-CB 4.41Å; I58-L60 HydrophobicContact CG2-CD1 4.27Å
61F28Very low32.3Very low203 Ų203127.6 Ų127.689%0.8978%0.781SS**  trans-79.3116.4158.9-82.1-87000108.7
62A30.5Very low32.4Very low80 Ų80130 Ų13066%0.66179%0.786SS**  trans-153.6118.916700000111.4
63T28.6Very low32.2Very low130 Ų130132.5 Ų132.580%0.79879%0.788SS**  trans-165158.3177.911.80000107.1
64P46.7Very low32.2Very low98 Ų98131.3 Ų131.364%0.63678%0.777SS**  cis-145.1-177.8-22.434.9-13.2000115.7
65Q33.3Very low32.3Very low192 Ų192132.8 Ų132.890%0.89777%0.768SS**  trans69.8153.1159.1-39.1-161.66.700117.9
66G30.8Very low32.5Very low69 Ų69136.2 Ų136.271%0.71177%0.765SS**  cis-155.4-163.11200000114.2
67P41.7Very low32.8Very low116 Ų116143.1 Ų143.175%0.75377%0.769SS**  trans-120.9-174.8-13243.6-36.2000118.1
68T31.1Very low33.1Very low138 Ų138139.9 Ų139.985%0.84776%0.764SS**  trans70.8151.6165.360.40000118.2
69D30.1Very low33.2Very low141 Ų141139.4 Ų139.475%0.75477%0.768SS**  cis-164162.9-24.3-174.933000109.3
70V32.1Very low33.7Very low129 Ų129140.1 Ų140.178%0.78277%0.772SS**  trans25.5129.2165.6172.30000121.8
71G28.9Very low33.8Very low64 Ų64136.7 Ų136.766%0.6677%0.773SS**  131.5104.6127.400000122
72V31.1Very low34.5Very low135 Ų135138.2 Ų138.282%0.81877%0.773SS**  trans45.8127.2133.1-174.90000122.3
73Q32.2Very low35Very low169 Ų169139.4 Ų139.479%0.7977%0.774SS**  trans18.8140.4152.1-52.7-173.427.600120.4
74D31.2Very low35.8Very low105 Ų105139 Ų13956%0.56177%0.774SS**  174.6162.961.7-159.6-7.3000112.9
75K32.5Very low35.4Very low150 Ų150140 Ų14065%0.65278%0.777SS**  trans54.6126.7155.4-83146.9-160.4152.60124.2
76R32.9Very low36Very low215 Ų215140.5 Ų140.581%0.81178%0.777SS**  trans69.3138.4139.7-71.7172.8173168.6-1.7116.7
77R35.9Very low36.8Very low217 Ų217148 Ų14882%0.81978%0.783SS**  cis-158.6172.921.9-115.8166.1-175.6176.11.2109.8
78P40.1Very low37.3Very low121 Ų121150 Ų15079%0.78678%0.78SS**  trans-90.1155.5-171.436.3-34.8000114.7
79V34.9Very low37.6Very low144 Ų144151 Ų15187%0.87378%0.78SS**  trans-130.9141.4169.71730000110.8G81V79-G81 PolarHBondContact O-N 3.29Å
80L43.4Very low38.4Very low177 Ų177149.2 Ų149.293%0.92777%0.77SS**  trans-68.1118.8-178.1-72.7149.4000112.6
81G33.8Very low39Very low78 Ų78150.4 Ų150.480%0.80477%0.771SS**  trans-97.2110.1171.400000112.5V79V79-G81 PolarHBondContact O-N 3.29Å
82R43Very low39.7Very low234 Ų234154.6 Ų154.688%0.88378%0.779SS**PPolyproline II helixtrans-68.6139.3169.6179-170.4-81.7-164.4-4.5109.6
83P40.1Very low40.2Very low105 Ų105153 Ų15368%0.68277%0.773SS**PPolyproline II helixtrans-68.5139.1178.627.8-34.7000111.8
84P46.5Very low40.6Very low123 Ų123152.4 Ų152.480%0.79978%0.776SS**PPolyproline II helixtrans-74.2131.8178.928.7-33.5000112K86P84-K86 PolarHBondContact O-N 2.72Å
85V38.3Very low41.2Very low118 Ų118157 Ų15772%0.71579%0.793SS**  trans-74.9103.6176175.80000109.6R87V85-R87 HydrophobicContact CG1-CG 4.42Å; V85-R87 PolarHBondContact O-N 3.04Å
86K46.3Very low41.5Very low203 Ų203158.4 Ų158.488%0.88380%0.802SS**  trans-73.7101.7167.7-74.9-170.8174-175.30110P84P84-K86 PolarHBondContact O-N 2.72Å
87R47.2Very low41.7Very low225 Ų225159.5 Ų159.585%0.84981%0.808SS**  trans-82107.1158.7-80-174.1163.985.80.7108.3V85V85-R87 HydrophobicContact CG1-CG 4.42Å; V85-R87 PolarHBondContact O-N 3.04Å
88K51.3Low41.6Very low159 Ų159154.9 Ų154.969%0.69180%0.803SS**  trans-77.9117.1163.5-168.2-169.3177.7-142.50106.9D90K88-D90 WeakPolarHBondContact CE-OD1 3.47Å; K88-D90 WeakPolarHBondContact CE-OD2 3.45Å; K88-D90 IonicContact NZ-OD1 2.77Å; K88-D90 PolarHBondContact NZ-OD1 3.41Å; K88-D90 IonicContact NZ-OD2 2.63Å; K88-D90 PolarHBondContact NZ-OD2 3.08Å
89L37.7Very low41.2Very low159 Ų159154.3 Ų154.383%0.83280%0.803SS**  trans-77.9114.2159.7-89.7152.3000106.3
90D47.3Very low41.1Very low104 Ų104154.2 Ų154.256%0.55680%0.802SS**  trans-95.5136.2153.8-87.7-50.2000107.3K88K88-D90 WeakPolarHBondContact CE-OD1 3.47Å; K88-D90 WeakPolarHBondContact CE-OD2 3.45Å; K88-D90 IonicContact NZ-OD1 2.77Å; K88-D90 PolarHBondContact NZ-OD1 3.41Å; K88-D90 IonicContact NZ-OD2 2.63Å; K88-D90 PolarHBondContact NZ-OD2 3.08Å
91L45.5Very low40.8Very low153 Ų153151.4 Ų151.480%0.80179%0.793SS**  trans-115.463.1-174.4-163.482.1000109.2S93L91-S93 PolarHBondContact O-N 3.48Å
92D41.9Very low40.8Very low153 Ų153158.5 Ų158.582%0.81880%0.795SS**  trans-75.892.6175.5-75.3-42000110.3D94D92-D94 PolarHBondContact O-N 3.21Å
93S42.5Very low40.9Very low101 Ų101153.2 Ų153.271%0.70679%0.791SS**  trans-75.8109.1153.3-710000108.4L91L91-S93 PolarHBondContact O-N 3.48Å
94D41.3Very low40.8Very low157 Ų157152.6 Ų152.684%0.8480%0.795SS**  trans-169.3129.3133.1-100.6-30000112.8D92D92-D94 PolarHBondContact O-N 3.21Å
95H43.3Very low40.3Very low202 Ų202154.3 Ų154.394%0.93580%0.803SS**  trans-99.794.2173.5-73.5-51.2000110
96Q39.1Very low40.1Very low178 Ų178152 Ų15283%0.83280%0.804SS**  trans-130.1114167.9-150.3167.267.200112.7V98Q96-V98 PolarHBondContact O-N 3.38Å
97Y36.1Very low39.7Very low239 Ų239151.9 Ų151.994%0.93781%0.806SS**  trans-83107.1179.3-122-96.3000109.7
98V33.6Very low39.3Very low119 Ų119147.6 Ų147.672%0.72181%0.805SS**  trans-139.7135.9164.9-1660000110.4Q96 T100Q96-V98 PolarHBondContact O-N 3.38Å; V98-T100 PolarHBondContact O-N 2.93Å
99S32.6Very low39.4Very low110 Ų110145.8 Ų145.877%0.76981%0.81SS**  trans-72.3118.6-171-530000114
100T31.4Very low40.3Very low141 Ų141143.4 Ų143.487%0.86580%0.804SS**  trans-67.8135.1168.9-62.70000111.9V98V98-T100 PolarHBondContact O-N 2.93Å
101T37.1Very low39.9Very low119 Ų119143.5 Ų143.573%0.7381%0.812SS**  trans-134.3137.3173.2-33.40000112
102R34.9Very low40.1Very low227 Ų227143.1 Ų143.186%0.85782%0.816SS**  trans72.9161.5169.7-70.1-178.380.6157.63.7118.4
103P44.7Very low40.7Very low122 Ų122141.9 Ų141.979%0.79282%0.817SS**  cis-120.4-172.4-8.8213.2000114.4
104A38.7Very low40.8Very low93 Ų93141.6 Ų141.677%0.76982%0.82SS**  trans-109.2159-161.900000116.2
105T36.2Very low41.4Very low158 Ų158140 Ų14097%0.96982%0.818SS**  trans-157.5138.5151.11.20000111.4
106G33.9Very low41.9Very low71 Ų71136.1 Ų136.173%0.73281%0.812SS**  trans119.479.6157.600000119.9
107Q38.4Very low42.5Very low199 Ų199139.4 Ų139.493%0.9382%0.816SS**  trans39.7147.8136.9-58.1-177.33.200123.6
108V38.4Very low43.4Very low136 Ų136134 Ų13482%0.82481%0.808SS**  trans-145.7131.8-164.6174.80000110.7
109P52.4Low44.2Very low121 Ų121134.2 Ų134.279%0.78681%0.812SS**  -143.6-150.8115.840.1-19.9000113
110P56.2Low44.7Very low109 Ų109139.8 Ų139.871%0.70882%0.816SS**  -137.9179.6-102.144-25000119.1
111S38.7Very low45.8Very low106 Ų106138.9 Ų138.974%0.74182%0.816SS**  trans90.8103.8147.3-60.30000121.7
112T50.8Low46.3Very low144 Ų144137.3 Ų137.388%0.88381%0.809SS**  -169.8145.7115.515.70000111.2
113P55Low47.2Very low128 Ų128133.1 Ų133.183%0.83181%0.809SS**  trans-93.6147.5-179.835.8-32.7000112.9
114A42.9Very low47.5Very low94 Ų94135.5 Ų135.578%0.77781%0.81SS**  trans-127.8147.1172.700000111.5
115P55.5Low48.5Very low123 Ų123139 Ų13980%0.79981%0.808SS**PPolyproline II helixtrans-77.6171.2-167.832.8-37.2000114
116P53.6Low50.2Low122 Ų122134.5 Ų134.579%0.79278%0.783SS**PPolyproline II helixtrans-74.1150.8-155.628.5-35.8000115.2V118P116-V118 PolarHBondContact O-N 2.83Å
117R50.8Low52Low246 Ų246142 Ų14293%0.92879%0.789SS**PPolyproline II helixtrans-62.7124.4175.5-74.3-177.7173.1-165.6-2.2111.7
118V55.2Low53.7Low125 Ų125139 Ų13976%0.75877%0.77SS**PPolyproline II helixtrans-84.9129.1156.1-145.10000108.1P116 R120P116-V118 PolarHBondContact O-N 2.83Å; V118-R120 PolarHBondContact O-N 3.15Å; V118-R120 VanDerWaalsContact O-N 3.13Å
119P50.1Low55.3Low124 Ų124136.4 Ų136.481%0.80575%0.751SS**  trans-70109.2174.3-13.127.9000109.5
120R43.5Very low56.5Low227 Ų227135.5 Ų135.586%0.85774%0.744SS**  trans-84.5113.2166.2-69.4-169.5-177.2-172.92.1108.4V118 S122V118-R120 PolarHBondContact O-N 3.15Å; V118-R120 VanDerWaalsContact O-N 3.13Å; R120-S122 PolarHBondContact O-N 3.22Å
121S54.2Low58.1Low123 Ų123131.7 Ų131.786%0.8672%0.72SS**  trans-72.378.3167.654.90000109.9
122S47.6Very low60.6Low86 Ų86130.4 Ų130.460%0.60170%0.704SS**  trans-82.4112.7163.849.50000108.9R120 E124R120-S122 PolarHBondContact O-N 3.22Å; S122-E124 PolarHBondContact O-N 2.82Å
123T54.3Low62.5Low138 Ų138127.9 Ų127.985%0.84769%0.685SS**  trans-64.285.7159.240.50000108.4K125T123-K125 PolarHBondContact O-N 2.82Å
124E51.9Low64.3Low173 Ų173123.1 Ų123.181%0.80865%0.653SS**  trans-64100.5170.2-73.5-170136.300108.3S122 S126S122-E124 PolarHBondContact O-N 2.82Å; E124-S126 PolarHBondContact O-N 2.87Å
125K58.5Low66.6Low166 Ų166119 Ų11972%0.72262%0.618SS**  trans-50.9124.5162.7-62.7178179.5-177.20106.5T123T123-K125 PolarHBondContact O-N 2.82Å
126S72.1Confident68.4Low64 Ų64114.9 Ų114.945%0.44859%0.59SS.*  trans-60.5146.9-171.5179.30000109.6E124 Y128 D129E124-S126 PolarHBondContact O-N 2.87Å; S126-Y128 PolarHBondContact O-N 2.66Å; S126-Y128 PolarHBondContact OG-N 2.93Å; S126-D129 WeakPolarHBondContact CB-OD2 3.36Å; S126-D129 PolarHBondContact N-OD2 2.9Å; S126-D129 WeakPolarHBondContact O-CB 3.32Å; S126-D129 PolarHBondContact O-N 3.44Å
127R71.7Confident70.2Confident228 Ų228114.7 Ų114.786%0.8658%0.577SS**G310 helixtrans-52.2-28.2172-177.9-171-92.1-172.3-5.5111.2T130 S131R127-T130 PolarHBondContact O-OG1 3.17Å; R127-S131 PolarHBondContact O-N 3.15Å
128Y74.6Confident72.2Confident136 Ų136109.3 Ų109.353%0.53356%0.557SS.*G310 helixtrans-62.9-37.7175-170.7-97.2000113.6S126 T130 S131S126-Y128 PolarHBondContact O-N 2.66Å; S126-Y128 PolarHBondContact OG-N 2.93Å; Y128-T130 PolarHBondContact O-N 2.9Å; Y128-S131 WeakPolarHBondContact O-CB 3.42Å; Y128-S131 PolarHBondContact O-N 2.95Å; Y128-S131 PolarHBondContact O-OG 3.39Å
129D71.1Confident73.9Confident81 Ų81103.4 Ų103.443%0.43352%0.521SS..G310 helixtrans-68.5-18-175.9-56.5-35.5000112.9S126S126-D129 WeakPolarHBondContact CB-OD2 3.36Å; S126-D129 PolarHBondContact N-OD2 2.9Å; S126-D129 WeakPolarHBondContact O-CB 3.32Å; S126-D129 PolarHBondContact O-N 3.44Å
130T78.9Confident75.8Confident102 Ų102100.2 Ų100.263%0.62650%0.497SS*.G310 helixtrans-11110.4175.954.80000112.7R127 Y128R127-T130 PolarHBondContact O-OG1 3.17Å; Y128-T130 PolarHBondContact O-N 2.9Å
131S89.1Confident77.9Confident30 Ų3093.3 Ų93.321%0.2148%0.477CS..  trans-68.5144.5-177.6690000112.4R127 Y128 N133 L134 T135R127-S131 PolarHBondContact O-N 3.15Å; Y128-S131 WeakPolarHBondContact O-CB 3.42Å; Y128-S131 PolarHBondContact O-N 2.95Å; Y128-S131 PolarHBondContact O-OG 3.39Å; S131-N133 PolarHBondContact O-N 2.89Å; S131-L134 PolarHBondContact O-N 2.86Å; S131-L134 WeakPolarHBondContact OG-CB 3.06Å; S131-L134 PolarHBondContact OG-N 2.9Å; S131-T135 PolarHBondContact O-N 3.01Å; S131-T135 VanDerWaalsContact O-N 3.1Å; S131-T135 PolarHBondContact O-OG1 3.46Å; S131-T135 VanDerWaalsContact O-OG1 3.09Å
132L91Very high79.5Confident78 Ų7888.3 Ų88.341%0.40844%0.441SS..Hα-helixtrans-59-38177.3-169.666.7000111.4L134 T135 T136 R166 D169 I170L132-L134 PolarHBondContact O-N 3.42Å; L132-T135 PolarHBondContact O-N 3.3Å; L132-T136 WeakPolarHBondContact O-CB 3.35Å; L132-T136 PolarHBondContact O-N 3.21Å; L132-T136 PolarHBondContact O-OG1 3.13Å; L132-R166 HydrophobicContact CD1-CB 4.49Å; L132-D169 HydrophobicContact CD1-CB 4.1Å; L132-D169 HydrophobicContact CD2-CB 4.18Å; L132-I170 HydrophobicContact CD1-CD1 4.13Å; L132-I170 HydrophobicContact CD1-CG1 3.78Å; L132-I170 HydrophobicContact CG-CG1 4.45Å
133N91.9Very high81.4Confident91 Ų9184.2 Ų84.249%0.48741%0.412SS..Hα-helixtrans-60.3-44.4178.3-172.6-87.9000112.6S131 T136 K137S131-N133 PolarHBondContact O-N 2.89Å; N133-T136 PolarHBondContact O-N 3.42Å; N133-K137 WeakPolarHBondContact O-CG 3.29Å; N133-K137 PolarHBondContact O-N 3.38Å; N133-K137 WeakPolarHBondContact OD1-CE 3.39Å; N133-K137 PolarHBondContact OD1-NZ 2.82Å
134L91.1Very high82.7Confident28 Ų2881.5 Ų81.515%0.14740%0.399CS..Hα-helixtrans-66-41.7176.8-17761.9000111.1S131 L132 K137 R138S131-L134 PolarHBondContact O-N 2.86Å; S131-L134 WeakPolarHBondContact OG-CB 3.06Å; S131-L134 PolarHBondContact OG-N 2.9Å; L132-L134 PolarHBondContact O-N 3.42Å; L134-K137 PolarHBondContact O-N 3.42Å; L134-R138 WeakPolarHBondContact O-CG 3.47Å; L134-R138 PolarHBondContact O-N 2.8Å
135T92.8Very high84.2Confident9 Ų980 Ų806%0.05539%0.392CS..Hα-helixtrans-61-43.9174.1-51.50000111.5S131 L132 R138 F139 L160 V162 I170S131-T135 PolarHBondContact O-N 3.01Å; S131-T135 VanDerWaalsContact O-N 3.1Å; S131-T135 PolarHBondContact O-OG1 3.46Å; S131-T135 VanDerWaalsContact O-OG1 3.09Å; L132-T135 PolarHBondContact O-N 3.3Å; T135-R138 PolarHBondContact O-N 3.36Å; T135-F139 VanDerWaalsContact O-CB 3.24Å; T135-F139 WeakPolarHBondContact O-CB 3.28Å; T135-F139 PolarHBondContact O-N 2.77Å; T135-L160 HydrophobicContact CG2-CD1 4.09Å; T135-V162 HydrophobicContact CG2-CB 4.45Å; T135-V162 HydrophobicContact CG2-CG1 3.89Å; T135-V162 HydrophobicContact CG2-CG2 3.91Å; T135-I170 HydrophobicContact CG2-CD1 3.66Å
136T93.3Very high85.3Confident35 Ų3573.4 Ų73.422%0.21537%0.367CS..Hα-helixtrans-60.8-46.1175.5-57.10000111.5L132 N133 R138 F139 L140 I170L132-T136 WeakPolarHBondContact O-CB 3.35Å; L132-T136 PolarHBondContact O-N 3.21Å; L132-T136 PolarHBondContact O-OG1 3.13Å; N133-T136 PolarHBondContact O-N 3.42Å; T136-R138 VanDerWaalsContact C-N 3.34Å; T136-R138 PolarHBondContact O-N 3.15Å; T136-F139 PolarHBondContact O-N 3.31Å; T136-L140 HydrophobicContact CG2-CD1 3.91Å; T136-L140 HydrophobicContact CG2-CG 4.19Å; T136-L140 WeakPolarHBondContact O-CB 3.43Å; T136-L140 VanDerWaalsContact O-CG 3.31Å; T136-L140 WeakPolarHBondContact O-CG 3.38Å; T136-L140 PolarHBondContact O-N 3.24Å; T136-I170 HydrophobicContact CG2-CG2 4.16Å
137K91.3Very high85Confident119 Ų11975.5 Ų75.552%0.51739%0.387SS..Hα-helixtrans-58.8-44.8177.3-75.9173.7175.8171.70112.1N133 L134 N141N133-K137 WeakPolarHBondContact O-CG 3.29Å; N133-K137 PolarHBondContact O-N 3.38Å; N133-K137 WeakPolarHBondContact OD1-CE 3.39Å; N133-K137 PolarHBondContact OD1-NZ 2.82Å; L134-K137 PolarHBondContact O-N 3.42Å; K137-N141 WeakPolarHBondContact O-CB 3.45Å; K137-N141 PolarHBondContact O-N 3.18Å; K137-N141 VanDerWaalsContact O-N 3.08Å
138R91.5Very high85.1Confident132 Ų13271.2 Ų71.250%0.49838%0.382SS..Hα-helixtrans-68.2-39.3176-65.9178.8-180177.31.7112L134 T135 T136 N141 L142 L160L134-R138 WeakPolarHBondContact O-CG 3.47Å; L134-R138 PolarHBondContact O-N 2.8Å; T135-R138 PolarHBondContact O-N 3.36Å; T136-R138 VanDerWaalsContact C-N 3.34Å; T136-R138 PolarHBondContact O-N 3.15Å; R138-N141 WeakPolarHBondContact O-CB 3.32Å; R138-N141 PolarHBondContact O-N 2.92Å; R138-L142 WeakPolarHBondContact O-CG 3.05Å; R138-L142 PolarHBondContact O-N 3.01Å; R138-L160 HydrophobicContact CB-CD2 3.31Å; R138-L160 HydrophobicContact CG-CD2 4.4Å
139F91.5Very high85.4Confident1 Ų165.3 Ų65.30%0.00436%0.362CS..Hα-helixtrans-64.8-43.6177.1-174.4-102.8000112.8T135 T136 N141 L142 L143 L153 A156 L160 I167 I170 T171 L174 I188T135-F139 VanDerWaalsContact O-CB 3.24Å; T135-F139 WeakPolarHBondContact O-CB 3.28Å; T135-F139 PolarHBondContact O-N 2.77Å; T136-F139 PolarHBondContact O-N 3.31Å; F139-N141 VanDerWaalsContact C-N 3.28Å; F139-N141 PolarHBondContact O-N 3.27Å; F139-L142 PolarHBondContact O-N 3.15Å; F139-L143 HydrophobicContact CD1-CD1 3.63Å; F139-L143 HydrophobicContact CE1-CD1 3.52Å; F139-L143 HydrophobicContact CE1-CG 4.44Å; F139-L143 HydrophobicContact CZ-CD1 4.32Å; F139-L143 PolarHBondContact O-N 2.86Å; F139-L153 HydrophobicContact CZ-CD2 4.41Å; F139-A156 HydrophobicContact CD2-CB 4.05Å; F139-A156 HydrophobicContact CE2-CB 3.82Å; F139-L160 HydrophobicContact CB-CD1 3.78Å; F139-L160 HydrophobicContact CD2-CD1 3.79Å; F139-L160 HydrophobicContact CG-CD1 4.29Å; F139-I167 HydrophobicContact CD2-CD1 4.2Å; F139-I167 HydrophobicContact CE2-CD1 4.29Å; F139-I167 HydrophobicContact CE2-CG2 3.86Å; F139-I167 HydrophobicContact CZ-CG2 4.19Å; F139-I170 HydrophobicContact CB-CD1 4.33Å; F139-I170 HydrophobicContact CD1-CB 4.43Å; F139-I170 HydrophobicContact CD1-CG2 3.48Å; F139-I170 VanDerWaalsContact CD1-CG2 3.48Å; F139-I170 HydrophobicContact CE1-CG2 3.8Å; F139-I170 HydrophobicContact CG-CG2 4.22Å; F139-T171 HydrophobicContact CE1-CG2 4.22Å; F139-T171 HydrophobicContact CZ-CG2 3.83Å; F139-L174 HydrophobicContact CD1-CD1 4.31Å; F139-L174 HydrophobicContact CE1-CD1 4.16Å; F139-I188 HydrophobicContact CE1-CD1 4.01Å; F139-I188 HydrophobicContact CZ-CD1 3.54Å
140L89.3Confident86.2Confident58 Ų5863.2 Ų63.230%0.30435%0.352SS..Hα-helixtrans-61.8-37.7172.2-71.5173.2000111.4T136 L143 S144 L174 W190T136-L140 HydrophobicContact CG2-CD1 3.91Å; T136-L140 HydrophobicContact CG2-CG 4.19Å; T136-L140 WeakPolarHBondContact O-CB 3.43Å; T136-L140 VanDerWaalsContact O-CG 3.31Å; T136-L140 WeakPolarHBondContact O-CG 3.38Å; T136-L140 PolarHBondContact O-N 3.24Å; L140-L143 HydrophobicContact CD2-CD1 4.36Å; L140-L143 PolarHBondContact O-N 3.18Å; L140-S144 PolarHBondContact O-N 2.71Å; L140-S144 PolarHBondContact O-OG 3.24Å; L140-L174 HydrophobicContact CD2-CD1 3.96Å; L140-L174 HydrophobicContact CD2-CD2 4.28Å; L140-W190 HydrophobicContact CD2-CH2 3.77Å; L140-W190 HydrophobicContact CD2-CZ3 3.75Å
141N87.9Confident86.7Confident81 Ų8158.5 Ų58.543%0.43332%0.323SS..Hα-helixtrans-63.1-44.3174.7-168.3-92.8000111.5K137 R138 F139 L143 S144 Q145K137-N141 WeakPolarHBondContact O-CB 3.45Å; K137-N141 PolarHBondContact O-N 3.18Å; K137-N141 VanDerWaalsContact O-N 3.08Å; R138-N141 WeakPolarHBondContact O-CB 3.32Å; R138-N141 PolarHBondContact O-N 2.92Å; F139-N141 VanDerWaalsContact C-N 3.28Å; F139-N141 PolarHBondContact O-N 3.27Å; N141-L143 VanDerWaalsContact C-N 3.35Å; N141-L143 PolarHBondContact O-N 3.47Å; N141-S144 WeakPolarHBondContact CA-OG 3.27Å; N141-S144 PolarHBondContact O-N 2.88Å; N141-S144 PolarHBondContact O-OG 3.17Å; N141-Q145 WeakPolarHBondContact O-CG 3.34Å; N141-Q145 PolarHBondContact O-N 3.44Å; N141-Q145 PolarHBondContact OD1-NE2 3.41Å
142L89Confident86.9Confident18 Ų1859.7 Ų59.79%0.09433%0.327CS..Hα-helixtrans-60.1-40.4172.8-63.3178.9000112.8R138 F139 Q145 S146 W155 A156 V159 L160R138-L142 WeakPolarHBondContact O-CG 3.05Å; R138-L142 PolarHBondContact O-N 3.01Å; F139-L142 PolarHBondContact O-N 3.15Å; L142-Q145 PolarHBondContact O-N 3.46Å; L142-S146 PolarHBondContact O-N 3.08Å; L142-W155 HydrophobicContact CB-CZ3 4.21Å; L142-W155 HydrophobicContact CD1-CZ3 4.08Å; L142-W155 HydrophobicContact CD2-CH2 3.83Å; L142-W155 HydrophobicContact CD2-CZ3 4.01Å; L142-W155 HydrophobicContact CG-CZ3 4.31Å; L142-A156 HydrophobicContact CD1-CB 4.45Å; L142-V159 HydrophobicContact CD1-CB 4.19Å; L142-V159 HydrophobicContact CD1-CG1 3.92Å; L142-V159 HydrophobicContact CD2-CG1 3.89Å; L142-L160 HydrophobicContact CD1-CD1 4.28Å; L142-L160 HydrophobicContact CD1-CD2 3.9Å; L142-L160 HydrophobicContact CD1-CG 3.92Å
143L87.1Confident86.9Confident1 Ų156.9 Ų56.91%0.00531%0.313CS..Hα-helixtrans-62.4-46174.2-75.5158.9000111.5F139 L140 N141 Q145 S146 V151 L174 I188 W190F139-L143 HydrophobicContact CD1-CD1 3.63Å; F139-L143 HydrophobicContact CE1-CD1 3.52Å; F139-L143 HydrophobicContact CE1-CG 4.44Å; F139-L143 HydrophobicContact CZ-CD1 4.32Å; F139-L143 PolarHBondContact O-N 2.86Å; L140-L143 HydrophobicContact CD2-CD1 4.36Å; L140-L143 PolarHBondContact O-N 3.18Å; N141-L143 VanDerWaalsContact C-N 3.35Å; N141-L143 PolarHBondContact O-N 3.47Å; L143-Q145 VanDerWaalsContact C-N 3.32Å; L143-Q145 PolarHBondContact O-N 3.4Å; L143-S146 PolarHBondContact O-N 2.88Å; L143-S146 PolarHBondContact O-OG 2.75Å; L143-V151 HydrophobicContact CD2-CB 3.99Å; L143-V151 HydrophobicContact CD2-CG2 3.61Å; L143-V151 HydrophobicContact CG-CG2 4.1Å; L143-L174 HydrophobicContact CD1-CD1 4.43Å; L143-I188 HydrophobicContact CD2-CD1 3.92Å; L143-I188 HydrophobicContact CD2-CG1 4.44Å; L143-W190 HydrophobicContact CB-CD2 4.23Å; L143-W190 HydrophobicContact CB-CE3 4.17Å; L143-W190 HydrophobicContact CB-CG 4.38Å; L143-W190 HydrophobicContact CD1-CE3 3.85Å; L143-W190 HydrophobicContact CD1-CZ3 4.2Å; L143-W190 HydrophobicContact CD2-CB 4.01Å; L143-W190 HydrophobicContact CD2-CE3 4.38Å; L143-W190 HydrophobicContact CG-CE3 4.37Å
144S81.8Confident86.9Confident81 Ų8154.4 Ų54.457%0.56630%0.299SS*.Hα-helixtrans-67.5-26.2179.265.20000114.7L140 N141L140-S144 PolarHBondContact O-N 2.71Å; L140-S144 PolarHBondContact O-OG 3.24Å; N141-S144 WeakPolarHBondContact CA-OG 3.27Å; N141-S144 PolarHBondContact O-N 2.88Å; N141-S144 PolarHBondContact O-OG 3.17Å
145Q81.9Confident86.9Confident141 Ų14159.1 Ų59.166%0.65932%0.315SS*.Hα-helixtrans-85-15.1175.9-70.4-173.126.500113.3N141 L142 L143 A147N141-Q145 WeakPolarHBondContact O-CG 3.34Å; N141-Q145 PolarHBondContact O-N 3.44Å; N141-Q145 PolarHBondContact OD1-NE2 3.41Å; L142-Q145 PolarHBondContact O-N 3.46Å; L143-Q145 VanDerWaalsContact C-N 3.32Å; L143-Q145 PolarHBondContact O-N 3.4Å; Q145-A147 PolarHBondContact O-N 3.5Å
146S82.9Confident86.9Confident28 Ų2858.7 Ų58.720%0.19631%0.313CS..  trans-76.2113.3-179.2680000111L142 L143 D148 G149L142-S146 PolarHBondContact O-N 3.08Å; L143-S146 PolarHBondContact O-N 2.88Å; L143-S146 PolarHBondContact O-OG 2.75Å; S146-D148 VanDerWaalsContact C-N 3.35Å; S146-D148 PolarHBondContact O-N 3.28Å; S146-G149 WeakPolarHBondContact O-CA 3.45Å; S146-G149 PolarHBondContact O-N 3.5Å; S146-G149 WeakPolarHBondContact OG-CA 3.38Å
147A66.1Low86.9Confident107 Ų10758 Ų5888%0.88431%0.309SS*.THydrogen-bonded Turntrans-59.8-39.9-17400000113.6Q145 G149Q145-A147 PolarHBondContact O-N 3.5Å; A147-G149 PolarHBondContact O-N 3.01Å
148D74Confident87Confident139 Ų13959.4 Ų59.474%0.74332%0.318SS*.THydrogen-bonded Turntrans-80.9-1.8176.1-67.6-7.5000113.1S146 V150S146-D148 VanDerWaalsContact C-N 3.35Å; S146-D148 PolarHBondContact O-N 3.28Å; D148-V150 HydrophobicContact CB-CB 4.45Å; D148-V150 HydrophobicContact CB-CG2 4.42Å; D148-V150 PolarHBondContact O-N 3.44Å
149G79.8Confident87Confident12 Ų1256.6 Ų56.612%0.12432%0.315CS..SBendtrans62.417.7-168.400000113.8S146 A147 Q189 W190S146-G149 WeakPolarHBondContact O-CA 3.45Å; S146-G149 PolarHBondContact O-N 3.5Å; S146-G149 WeakPolarHBondContact OG-CA 3.38Å; A147-G149 PolarHBondContact O-N 3.01Å; G149-Q189 CarbonylContact O-C 3.53Å; G149-Q189 VanDerWaalsContact O-CA 3.3Å; G149-Q189 WeakPolarHBondContact O-CA 3.2Å; G149-W190 WeakPolarHBondContact O-CB 3.43Å; G149-W190 PolarHBondContact O-N 2.92Å
150V87.4Confident86.9Confident37 Ų3757.2 Ų57.222%0.22432%0.318CS..EExtended strand (participates in β ladder)trans-113.4130.4-177.1178.20000110.7D148 K183 N187 I188 Q189D148-V150 HydrophobicContact CB-CB 4.45Å; D148-V150 HydrophobicContact CB-CG2 4.42Å; D148-V150 PolarHBondContact O-N 3.44Å; V150-K183 HydrophobicContact CG1-CD 4.3Å; V150-K183 HydrophobicContact CG2-CD 3.72Å; V150-N187 HydrophobicContact CG1-CB 3.89Å; V150-I188 WeakPolarHBondContact CA-O 3.29Å; V150-Q189 HydrophobicContact CG2-CB 4.24Å; V150-Q189 HydrophobicContact CG2-CG 4.1Å
151V91.2Very high87Confident3 Ų361.1 Ų61.12%0.01834%0.339CS..EExtended strand (participates in β ladder)trans-127.3129.6-178.6174.10000111L143 W155 A156 N187 I188L143-V151 HydrophobicContact CD2-CB 3.99Å; L143-V151 HydrophobicContact CD2-CG2 3.61Å; L143-V151 HydrophobicContact CG-CG2 4.1Å; V151-W155 HydrophobicContact CG1-CE3 4.41Å; V151-A156 HydrophobicContact CG1-CB 4.01Å; V151-N187 WeakPolarHBondContact O-CA 3.5Å; V151-I188 HydrophobicContact CB-CG1 4.28Å; V151-I188 PolarHBondContact N-O 2.73Å; V151-I188 WeakPolarHBondContact O-CG1 3.45Å; V151-I188 PolarHBondContact O-N 3.27Å
152D91.9Very high87.1Confident55 Ų5558.5 Ų58.529%0.29433%0.326SS..EExtended strand (participates in β ladder)trans-78.1124170-176.6-8.2000110.3N154 W155 A156 N186 N187D152-N154 PolarHBondContact O-N 3.46Å; D152-N154 WeakPolarHBondContact OD1-CB 3.41Å; D152-N154 PolarHBondContact OD1-N 3.42Å; D152-N154 PolarHBondContact OD1-ND2 3.14Å; D152-N154 PolarHBondContact OD2-ND2 3.22Å; D152-W155 HydrophobicContact CB-CB 4.12Å; D152-W155 PolarHBondContact O-N 3.24Å; D152-A156 PolarHBondContact O-N 3.22Å; D152-N186 WeakPolarHBondContact CA-O 3.29Å; D152-N187 WeakPolarHBondContact CA-OD1 3.44Å; D152-N187 WeakPolarHBondContact CB-OD1 3.38Å
153L92.1Very high87.2Confident18 Ų1864.9 Ų64.99%0.09436%0.356CS..Hα-helixtrans-62.8-26.5177.6-56.5180000112.9F139 S157 I167 Y168 T171 N186 I188F139-L153 HydrophobicContact CZ-CD2 4.41Å; L153-S157 VanDerWaalsContact O-CB 3.27Å; L153-S157 WeakPolarHBondContact O-CB 3.47Å; L153-S157 PolarHBondContact O-N 3.19Å; L153-S157 VanDerWaalsContact O-N 3.1Å; L153-I167 HydrophobicContact CB-CG2 4.37Å; L153-I167 HydrophobicContact CD2-CG2 3.68Å; L153-Y168 HydrophobicContact CD1-CE1 4.18Å; L153-T171 HydrophobicContact CD2-CG2 3.96Å; L153-N186 WeakPolarHBondContact CG-O 3.36Å; L153-N186 PolarHBondContact N-O 3.08Å; L153-I188 HydrophobicContact CD1-CG2 4.38Å; L153-I188 HydrophobicContact CD2-CD1 4.03Å; L153-I188 HydrophobicContact CD2-CG1 3.91Å; L153-I188 HydrophobicContact CD2-CG2 3.93Å; L153-I188 HydrophobicContact CG-CG2 4.4Å
154N91.4Very high87.3Confident39 Ų3969 Ų6921%0.20937%0.373CS..Hα-helixtrans-68.8-46.1173.3-59.3-70.8000111.3D152 S157 Q158 K164 N186D152-N154 PolarHBondContact O-N 3.46Å; D152-N154 WeakPolarHBondContact OD1-CB 3.41Å; D152-N154 PolarHBondContact OD1-N 3.42Å; D152-N154 PolarHBondContact OD1-ND2 3.14Å; D152-N154 PolarHBondContact OD2-ND2 3.22Å; N154-S157 PolarHBondContact O-N 3.5Å; N154-Q158 WeakPolarHBondContact O-CG 3.29Å; N154-Q158 PolarHBondContact O-N 3.3Å; N154-Q158 PolarHBondContact O-NE2 2.93Å; N154-K164 VanDerWaalsContact OD1-CE 3.31Å; N154-K164 WeakPolarHBondContact OD1-CE 3.34Å; N154-K164 PolarHBondContact OD1-NZ 3.1Å; N154-N186 VanDerWaalsContact ND2-CG 3.3Å; N154-N186 PolarHBondContact ND2-ND2 2.87Å; N154-N186 VanDerWaalsContact ND2-ND2 3.11Å
155W91.6Very high87.9Confident128 Ų12871 Ų7149%0.48537%0.369SS..Hα-helixtrans-67.3-46.3179.1179.481.5000110.7L142 V151 D152 S157 Q158 V159L142-W155 HydrophobicContact CB-CZ3 4.21Å; L142-W155 HydrophobicContact CD1-CZ3 4.08Å; L142-W155 HydrophobicContact CD2-CH2 3.83Å; L142-W155 HydrophobicContact CD2-CZ3 4.01Å; L142-W155 HydrophobicContact CG-CZ3 4.31Å; V151-W155 HydrophobicContact CG1-CE3 4.41Å; D152-W155 HydrophobicContact CB-CB 4.12Å; D152-W155 PolarHBondContact O-N 3.24Å; W155-S157 VanDerWaalsContact C-N 3.3Å; W155-S157 PolarHBondContact O-N 3.48Å; W155-Q158 PolarHBondContact O-N 2.89Å; W155-V159 HydrophobicContact CD2-CG2 3.89Å; W155-V159 HydrophobicContact CE3-CG2 4.41Å; W155-V159 HydrophobicContact CG-CG2 4.31Å; W155-V159 HydrophobicContact CH2-CG2 4.39Å; W155-V159 HydrophobicContact CZ2-CG2 3.84Å; W155-V159 WeakPolarHBondContact O-CG2 3.4Å; W155-V159 PolarHBondContact O-N 3.33Å
156A92.5Very high88.5Confident0 Ų069.3 Ų69.30%036%0.356CS..Hα-helixtrans-58.2-39.2174.700000112.8F139 L142 V151 D152 Q158 L160 I167F139-A156 HydrophobicContact CD2-CB 4.05Å; F139-A156 HydrophobicContact CE2-CB 3.82Å; L142-A156 HydrophobicContact CD1-CB 4.45Å; V151-A156 HydrophobicContact CG1-CB 4.01Å; D152-A156 PolarHBondContact O-N 3.22Å; A156-Q158 VanDerWaalsContact C-N 3.29Å; A156-Q158 PolarHBondContact O-N 2.93Å; A156-L160 VanDerWaalsContact O-CB 3.23Å; A156-L160 WeakPolarHBondContact O-CB 3.42Å; A156-L160 WeakPolarHBondContact O-CG 3.46Å; A156-L160 PolarHBondContact O-N 3.21Å; A156-I167 HydrophobicContact CB-CD1 4.49Å
157S93.1Very high89.1Confident20 Ų2068 Ų6814%0.1435%0.347CS..Hα-helixtrans-62.8-33.8175.5-173.50000112.8L153 N154 W155 V162L153-S157 VanDerWaalsContact O-CB 3.27Å; L153-S157 WeakPolarHBondContact O-CB 3.47Å; L153-S157 PolarHBondContact O-N 3.19Å; L153-S157 VanDerWaalsContact O-N 3.1Å; N154-S157 PolarHBondContact O-N 3.5Å; W155-S157 VanDerWaalsContact C-N 3.3Å; W155-S157 PolarHBondContact O-N 3.48Å; S157-V162 PolarHBondContact O-N 3.01Å; S157-V162 VanDerWaalsContact O-O 3.12Å; S157-V162 PolarHBondContact OG-O 2.96Å
158Q92.5Very high90.4Very high149 Ų14967.6 Ų67.670%0.69632%0.323SS*.Hα-helixtrans-78.1-49.1177.3-67.7170.540.400112N154 W155 A156 L160 D161N154-Q158 WeakPolarHBondContact O-CG 3.29Å; N154-Q158 PolarHBondContact O-N 3.3Å; N154-Q158 PolarHBondContact O-NE2 2.93Å; W155-Q158 PolarHBondContact O-N 2.89Å; A156-Q158 VanDerWaalsContact C-N 3.29Å; A156-Q158 PolarHBondContact O-N 2.93Å; Q158-L160 VanDerWaalsContact C-N 3.27Å; Q158-L160 PolarHBondContact O-N 3.22Å; Q158-D161 PolarHBondContact O-N 3.38Å; Q158-D161 VanDerWaalsContact O-N 3.16Å
159V91.7Very high91.4Very high73 Ų7362.6 Ų62.644%0.44230%0.296SS..Hα-helixtrans-63.9-33-177.9174.70000112.2L142 W155L142-V159 HydrophobicContact CD1-CB 4.19Å; L142-V159 HydrophobicContact CD1-CG1 3.92Å; L142-V159 HydrophobicContact CD2-CG1 3.89Å; W155-V159 HydrophobicContact CD2-CG2 3.89Å; W155-V159 HydrophobicContact CE3-CG2 4.41Å; W155-V159 HydrophobicContact CG-CG2 4.31Å; W155-V159 HydrophobicContact CH2-CG2 4.39Å; W155-V159 HydrophobicContact CZ2-CG2 3.84Å; W155-V159 WeakPolarHBondContact O-CG2 3.4Å; W155-V159 PolarHBondContact O-N 3.33Å
160L89.5Confident92.1Very high13 Ų1362.2 Ų62.27%0.06829%0.292CS..THydrogen-bonded Turntrans-87.4-7.2179.1-61.5179.4000113.9T135 R138 F139 L142 A156 Q158 V162 I167T135-L160 HydrophobicContact CG2-CD1 4.09Å; R138-L160 HydrophobicContact CB-CD2 3.31Å; R138-L160 HydrophobicContact CG-CD2 4.4Å; F139-L160 HydrophobicContact CB-CD1 3.78Å; F139-L160 HydrophobicContact CD2-CD1 3.79Å; F139-L160 HydrophobicContact CG-CD1 4.29Å; L142-L160 HydrophobicContact CD1-CD1 4.28Å; L142-L160 HydrophobicContact CD1-CD2 3.9Å; L142-L160 HydrophobicContact CD1-CG 3.92Å; A156-L160 VanDerWaalsContact O-CB 3.23Å; A156-L160 WeakPolarHBondContact O-CB 3.42Å; A156-L160 WeakPolarHBondContact O-CG 3.46Å; A156-L160 PolarHBondContact O-N 3.21Å; Q158-L160 VanDerWaalsContact C-N 3.27Å; Q158-L160 PolarHBondContact O-N 3.22Å; L160-V162 VanDerWaalsContact C-N 3.29Å; L160-V162 HydrophobicContact CB-CG2 3.86Å; L160-V162 PolarHBondContact O-N 2.64Å; L160-I167 HydrophobicContact CD1-CD1 3.95Å
161D91.1Very high92.3Very high140 Ų14060.8 Ų60.875%0.74928%0.283SS*.THydrogen-bonded Turntrans50.944.8-172.4-16631000112.8Q158Q158-D161 PolarHBondContact O-N 3.38Å; Q158-D161 VanDerWaalsContact O-N 3.16Å
162V90.6Very high92.5Very high27 Ų2765.3 Ų65.316%0.16431%0.307CS..  trans-129.6149.2-180-61.30000112.8T135 S157 L160 R166 I167T135-V162 HydrophobicContact CG2-CB 4.45Å; T135-V162 HydrophobicContact CG2-CG1 3.89Å; T135-V162 HydrophobicContact CG2-CG2 3.91Å; S157-V162 PolarHBondContact O-N 3.01Å; S157-V162 VanDerWaalsContact O-O 3.12Å; S157-V162 PolarHBondContact OG-O 2.96Å; L160-V162 VanDerWaalsContact C-N 3.29Å; L160-V162 HydrophobicContact CB-CG2 3.86Å; L160-V162 PolarHBondContact O-N 2.64Å; V162-R166 HydrophobicContact CB-CB 4.36Å; V162-R166 HydrophobicContact CG2-CB 4.38Å; V162-I167 HydrophobicContact CG2-CD1 3.63Å; V162-I167 HydrophobicContact CG2-CG1 4.18Å
163Q91.7Very high92.6Very high152 Ų15267 Ų6771%0.7132%0.319SS*.  trans-62.2140.3173.4-60.81773.800111.4R165 R166Q163-R165 PolarHBondContact O-N 2.65Å; Q163-R166 WeakPolarHBondContact O-CB 3.26Å; Q163-R166 PolarHBondContact O-N 3.39Å
164K89.4Confident92.6Very high86 Ų8666.8 Ų66.837%0.37432%0.318SS..Hα-helixtrans-47.9-30.4176.2-70.7-172.7172.7-175.20114.8N154 R166 I167 Y168N154-K164 VanDerWaalsContact OD1-CE 3.31Å; N154-K164 WeakPolarHBondContact OD1-CE 3.34Å; N154-K164 PolarHBondContact OD1-NZ 3.1Å; K164-R166 PolarHBondContact O-N 3.27Å; K164-I167 WeakPolarHBondContact O-CB 3.17Å; K164-I167 PolarHBondContact O-N 3.07Å; K164-I167 VanDerWaalsContact O-N 3.13Å; K164-Y168 HydrophobicContact CB-CE2 4.19Å; K164-Y168 VanDerWaalsContact O-CD2 3.31Å; K164-Y168 WeakPolarHBondContact O-CD2 3.25Å; K164-Y168 PolarHBondContact O-N 3.46Å
165R94.1Very high92.5Very high124 Ų12469.2 Ų69.247%0.46833%0.328SS..Hα-helixtrans-55.8-38.9175.1-179.464.4-165.784.17.4112.4Q163 Y168 D169Q163-R165 PolarHBondContact O-N 2.65Å; R165-Y168 PolarHBondContact O-N 3.48Å; R165-D169 IonicContact CZ-OD1 3.11Å; R165-D169 IonicContact CZ-OD2 3.67Å; R165-D169 IonicContact NH1-OD1 2.68Å; R165-D169 PolarHBondContact NH1-OD1 2.9Å; R165-D169 IonicContact NH1-OD2 3.16Å; R165-D169 PolarHBondContact NH1-OD2 3.46Å; R165-D169 VanDerWaalsContact NH1-OD2 3.16Å; R165-D169 IonicContact NH2-OD1 2.77Å; R165-D169 PolarHBondContact NH2-OD1 3.26Å; R165-D169 IonicContact NH2-OD2 3.9Å; R165-D169 PolarHBondContact O-N 3.36Å; R165-D169 VanDerWaalsContact O-N 3.16Å; R165-D169 VanDerWaalsContact O-OD2 3.09Å
166R94.6Very high92.5Very high105 Ų10566.1 Ų66.140%0.39634%0.336SS..Hα-helixtrans-72.2-35.3177.8-61.5-69.981.5122.6-5.9112.2L132 V162 Q163 K164 Y168 D169 I170L132-R166 HydrophobicContact CD1-CB 4.49Å; V162-R166 HydrophobicContact CB-CB 4.36Å; V162-R166 HydrophobicContact CG2-CB 4.38Å; Q163-R166 WeakPolarHBondContact O-CB 3.26Å; Q163-R166 PolarHBondContact O-N 3.39Å; K164-R166 PolarHBondContact O-N 3.27Å; R166-Y168 VanDerWaalsContact C-N 3.3Å; R166-Y168 PolarHBondContact O-N 3.02Å; R166-D169 IonicContact CZ-OD2 3.15Å; R166-D169 IonicContact NE-OD2 2.79Å; R166-D169 PolarHBondContact NE-OD2 2.86Å; R166-D169 IonicContact NH2-OD2 2.69Å; R166-D169 PolarHBondContact NH2-OD2 2.84Å; R166-D169 WeakPolarHBondContact O-CB 3.49Å; R166-D169 PolarHBondContact O-N 3.23Å; R166-I170 WeakPolarHBondContact O-CG1 3.46Å; R166-I170 PolarHBondContact O-N 2.88Å
167I94.2Very high92.3Very high1 Ų171.2 Ų71.21%0.00536%0.362CS..Hα-helixtrans-59.5-44.8171.4-54.3-59000109.7F139 L153 A156 L160 V162 K164 D169 I170 T171F139-I167 HydrophobicContact CD2-CD1 4.2Å; F139-I167 HydrophobicContact CE2-CD1 4.29Å; F139-I167 HydrophobicContact CE2-CG2 3.86Å; F139-I167 HydrophobicContact CZ-CG2 4.19Å; L153-I167 HydrophobicContact CB-CG2 4.37Å; L153-I167 HydrophobicContact CD2-CG2 3.68Å; A156-I167 HydrophobicContact CB-CD1 4.49Å; L160-I167 HydrophobicContact CD1-CD1 3.95Å; V162-I167 HydrophobicContact CG2-CD1 3.63Å; V162-I167 HydrophobicContact CG2-CG1 4.18Å; K164-I167 WeakPolarHBondContact O-CB 3.17Å; K164-I167 PolarHBondContact O-N 3.07Å; K164-I167 VanDerWaalsContact O-N 3.13Å; I167-D169 PolarHBondContact O-N 2.93Å; I167-I170 PolarHBondContact O-N 3.28Å; I167-I170 VanDerWaalsContact O-N 3.1Å; I167-T171 HydrophobicContact CG2-CG2 4.22Å; I167-T171 WeakPolarHBondContact O-CG2 3.45Å; I167-T171 PolarHBondContact O-N 3.37Å; I167-T171 PolarHBondContact O-OG1 2.94Å
168Y93.9Very high92Very high99 Ų9977.6 Ų77.639%0.38839%0.39SS..Hα-helixtrans-64.7-33.4176-54.5-41.9000114.1L153 K164 R165 R166 I170 T171 N172L153-Y168 HydrophobicContact CD1-CE1 4.18Å; K164-Y168 HydrophobicContact CB-CE2 4.19Å; K164-Y168 VanDerWaalsContact O-CD2 3.31Å; K164-Y168 WeakPolarHBondContact O-CD2 3.25Å; K164-Y168 PolarHBondContact O-N 3.46Å; R165-Y168 PolarHBondContact O-N 3.48Å; R166-Y168 VanDerWaalsContact C-N 3.3Å; R166-Y168 PolarHBondContact O-N 3.02Å; Y168-I170 VanDerWaalsContact C-N 3.25Å; Y168-I170 PolarHBondContact O-N 2.81Å; Y168-T171 WeakPolarHBondContact CA-OG1 3.43Å; Y168-T171 PolarHBondContact O-OG1 3.2Å; Y168-N172 VanDerWaalsContact O-CB 3.29Å; Y168-N172 WeakPolarHBondContact O-CB 3.31Å; Y168-N172 PolarHBondContact O-N 2.87Å; Y168-N172 PolarHBondContact O-OD1 2.94Å; Y168-N172 VanDerWaalsContact O-OD1 3.06Å
169D94.7Very high91.7Very high33 Ų3372.7 Ų72.718%0.17637%0.368CS..Hα-helixtrans-60.6-38.4172.2-68.3-53.2000111.5L132 R165 R166 I167 V173L132-D169 HydrophobicContact CD1-CB 4.1Å; L132-D169 HydrophobicContact CD2-CB 4.18Å; R165-D169 IonicContact CZ-OD1 3.11Å; R165-D169 IonicContact CZ-OD2 3.67Å; R165-D169 IonicContact NH1-OD1 2.68Å; R165-D169 PolarHBondContact NH1-OD1 2.9Å; R165-D169 IonicContact NH1-OD2 3.16Å; R165-D169 PolarHBondContact NH1-OD2 3.46Å; R165-D169 VanDerWaalsContact NH1-OD2 3.16Å; R165-D169 IonicContact NH2-OD1 2.77Å; R165-D169 PolarHBondContact NH2-OD1 3.26Å; R165-D169 IonicContact NH2-OD2 3.9Å; R165-D169 PolarHBondContact O-N 3.36Å; R165-D169 VanDerWaalsContact O-N 3.16Å; R165-D169 VanDerWaalsContact O-OD2 3.09Å; R166-D169 IonicContact CZ-OD2 3.15Å; R166-D169 IonicContact NE-OD2 2.79Å; R166-D169 PolarHBondContact NE-OD2 2.86Å; R166-D169 IonicContact NH2-OD2 2.69Å; R166-D169 PolarHBondContact NH2-OD2 2.84Å; R166-D169 WeakPolarHBondContact O-CB 3.49Å; R166-D169 PolarHBondContact O-N 3.23Å; I167-D169 PolarHBondContact O-N 2.93Å; D169-V173 WeakPolarHBondContact O-CG2 3.16Å
170I94.2Very high91.6Very high5 Ų569.5 Ų69.53%0.02635%0.348CS..Hα-helixtrans-75.2-47.5179.6-59.3165.9000110.5L132 T135 T136 F139 R166 I167 Y168 N172 V173 L174L132-I170 HydrophobicContact CD1-CD1 4.13Å; L132-I170 HydrophobicContact CD1-CG1 3.78Å; L132-I170 HydrophobicContact CG-CG1 4.45Å; T135-I170 HydrophobicContact CG2-CD1 3.66Å; T136-I170 HydrophobicContact CG2-CG2 4.16Å; F139-I170 HydrophobicContact CB-CD1 4.33Å; F139-I170 HydrophobicContact CD1-CB 4.43Å; F139-I170 HydrophobicContact CD1-CG2 3.48Å; F139-I170 VanDerWaalsContact CD1-CG2 3.48Å; F139-I170 HydrophobicContact CE1-CG2 3.8Å; F139-I170 HydrophobicContact CG-CG2 4.22Å; R166-I170 WeakPolarHBondContact O-CG1 3.46Å; R166-I170 PolarHBondContact O-N 2.88Å; I167-I170 PolarHBondContact O-N 3.28Å; I167-I170 VanDerWaalsContact O-N 3.1Å; Y168-I170 VanDerWaalsContact C-N 3.25Å; Y168-I170 PolarHBondContact O-N 2.81Å; I170-N172 PolarHBondContact O-N 3.28Å; I170-V173 PolarHBondContact O-N 3.31Å; I170-L174 HydrophobicContact CG2-CD1 3.81Å; I170-L174 HydrophobicContact CG2-CG 4.39Å; I170-L174 WeakPolarHBondContact O-CG 3.4Å; I170-L174 PolarHBondContact O-N 3.48Å; I170-L174 VanDerWaalsContact O-N 3.08Å
171T93.4Very high91.6Very high7 Ų771.6 Ų71.64%0.04336%0.364CS..Hα-helixtrans-65.2-41-177.658.40000112F139 L153 I167 Y168 V173 L174 E175 I180 I188F139-T171 HydrophobicContact CE1-CG2 4.22Å; F139-T171 HydrophobicContact CZ-CG2 3.83Å; L153-T171 HydrophobicContact CD2-CG2 3.96Å; I167-T171 HydrophobicContact CG2-CG2 4.22Å; I167-T171 WeakPolarHBondContact O-CG2 3.45Å; I167-T171 PolarHBondContact O-N 3.37Å; I167-T171 PolarHBondContact O-OG1 2.94Å; Y168-T171 WeakPolarHBondContact CA-OG1 3.43Å; Y168-T171 PolarHBondContact O-OG1 3.2Å; T171-V173 VanDerWaalsContact C-N 3.26Å; T171-V173 PolarHBondContact O-N 2.85Å; T171-L174 PolarHBondContact O-N 3.38Å; T171-E175 WeakPolarHBondContact O-CB 3.43Å; T171-E175 PolarHBondContact O-N 2.82Å; T171-I180 HydrophobicContact CG2-CD1 3.87Å; T171-I188 HydrophobicContact CG2-CD1 4.05Å; T171-I188 HydrophobicContact CG2-CG2 4.45Å
172N94.8Very high91.6Very high97 Ų9771.3 Ų71.352%0.51936%0.356SS..Hα-helixtrans-62.1-35-179.4-67.77.6000112.3Y168 I170 G176Y168-N172 VanDerWaalsContact O-CB 3.29Å; Y168-N172 WeakPolarHBondContact O-CB 3.31Å; Y168-N172 PolarHBondContact O-N 2.87Å; Y168-N172 PolarHBondContact O-OD1 2.94Å; Y168-N172 VanDerWaalsContact O-OD1 3.06Å; I170-N172 PolarHBondContact O-N 3.28Å; N172-G176 PolarHBondContact O-N 3.43Å
173V93.9Very high91.5Very high90 Ų9076.1 Ų76.155%0.54538%0.375SS..Hα-helixtrans-73-45.5176.11750000110.8D169 I170 T171 E175 G176 I177D169-V173 WeakPolarHBondContact O-CG2 3.16Å; I170-V173 PolarHBondContact O-N 3.31Å; T171-V173 VanDerWaalsContact C-N 3.26Å; T171-V173 PolarHBondContact O-N 2.85Å; V173-E175 VanDerWaalsContact C-N 3.34Å; V173-E175 PolarHBondContact O-N 3.03Å; V173-G176 PolarHBondContact O-N 2.89Å; V173-I177 HydrophobicContact CG1-CD1 3.86Å; V173-I177 WeakPolarHBondContact O-CD1 3.43Å; V173-I177 VanDerWaalsContact O-CG1 3.3Å; V173-I177 WeakPolarHBondContact O-CG1 3.24Å; V173-I177 PolarHBondContact O-N 3.34Å
174L91.2Very high91.4Very high15 Ų1571.2 Ų71.28%0.07936%0.358CS..Hα-helixtrans-67.8-32.6178.8-66.2176000112.9F139 L140 L143 I170 T171 I177 Q178 L179 I180F139-L174 HydrophobicContact CD1-CD1 4.31Å; F139-L174 HydrophobicContact CE1-CD1 4.16Å; L140-L174 HydrophobicContact CD2-CD1 3.96Å; L140-L174 HydrophobicContact CD2-CD2 4.28Å; L143-L174 HydrophobicContact CD1-CD1 4.43Å; I170-L174 HydrophobicContact CG2-CD1 3.81Å; I170-L174 HydrophobicContact CG2-CG 4.39Å; I170-L174 WeakPolarHBondContact O-CG 3.4Å; I170-L174 PolarHBondContact O-N 3.48Å; I170-L174 VanDerWaalsContact O-N 3.08Å; T171-L174 PolarHBondContact O-N 3.38Å; L174-I177 CarbonylContact O-C 3.55Å; L174-Q178 PolarHBondContact O-N 3.06Å; L174-Q178 VanDerWaalsContact O-N 3.09Å; L174-L179 HydrophobicContact CD2-CD1 4.17Å; L174-L179 PolarHBondContact O-N 3.26Å; L174-I180 HydrophobicContact CB-CD1 3.86Å; L174-I180 HydrophobicContact CB-CG1 3.77Å; L174-I180 HydrophobicContact CB-CG2 4.2Å; L174-I180 HydrophobicContact CD1-CG2 4.43Å; L174-I180 PolarHBondContact O-N 2.81Å
175E90.9Very high91.3Very high89 Ų8975.9 Ų75.942%0.41638%0.378SS..Hα-helixtrans-71.6-39.7173.5-176.4172.1-154.700110.7T171 V173 I177 Q178 I180T171-E175 WeakPolarHBondContact O-CB 3.43Å; T171-E175 PolarHBondContact O-N 2.82Å; V173-E175 VanDerWaalsContact C-N 3.34Å; V173-E175 PolarHBondContact O-N 3.03Å; E175-I177 VanDerWaalsContact C-N 3.27Å; E175-I177 PolarHBondContact O-N 3.33Å; E175-Q178 WeakPolarHBondContact O-CA 3.09Å; E175-Q178 PolarHBondContact O-N 3.19Å; E175-I180 HydrophobicContact CB-CG1 4.09Å
176G89.6Confident91.1Very high63 Ų6373.1 Ų73.165%0.64937%0.373SS*.Hα-helixtrans-63.2-29.3172.600000114.1N172 V173 Q178N172-G176 PolarHBondContact O-N 3.43Å; V173-G176 PolarHBondContact O-N 2.89Å; G176-Q178 VanDerWaalsContact C-N 3.34Å
177I88.7Confident90.9Very high108 Ų10870.7 Ų70.755%0.55437%0.367SS*.THydrogen-bonded Turntrans-92.33.2172.5-51.9160.4000111V173 L174 E175 L179V173-I177 HydrophobicContact CG1-CD1 3.86Å; V173-I177 WeakPolarHBondContact O-CD1 3.43Å; V173-I177 VanDerWaalsContact O-CG1 3.3Å; V173-I177 WeakPolarHBondContact O-CG1 3.24Å; V173-I177 PolarHBondContact O-N 3.34Å; L174-I177 CarbonylContact O-C 3.55Å; E175-I177 VanDerWaalsContact C-N 3.27Å; E175-I177 PolarHBondContact O-N 3.33Å; I177-L179 HydrophobicContact CB-CD1 4.49Å; I177-L179 HydrophobicContact CB-CG 4.38Å; I177-L179 HydrophobicContact CG2-CD1 4.07Å; I177-L179 HydrophobicContact CG2-CG 4.04Å; I177-L179 PolarHBondContact O-N 3.13Å; I177-L179 VanDerWaalsContact O-N 3.12Å
178Q86.3Confident90.7Very high154 Ų15471 Ų7172%0.7237%0.369SS*.THydrogen-bonded Turntrans59.518.8178.8-53-179.9-0.200115.3L174 E175 G176 I180L174-Q178 PolarHBondContact O-N 3.06Å; L174-Q178 VanDerWaalsContact O-N 3.09Å; E175-Q178 WeakPolarHBondContact O-CA 3.09Å; E175-Q178 PolarHBondContact O-N 3.19Å; G176-Q178 VanDerWaalsContact C-N 3.34Å; Q178-I180 VanDerWaalsContact C-N 3.29Å
179L86.9Confident90.5Very high46 Ų4669.1 Ų69.124%0.24136%0.364CS..SBendtrans-78.7-12.6175.2-64.5176.9000113.1L174 I177 W190 L191 G192 I195L174-L179 HydrophobicContact CD2-CD1 4.17Å; L174-L179 PolarHBondContact O-N 3.26Å; I177-L179 HydrophobicContact CB-CD1 4.49Å; I177-L179 HydrophobicContact CB-CG 4.38Å; I177-L179 HydrophobicContact CG2-CD1 4.07Å; I177-L179 HydrophobicContact CG2-CG 4.04Å; I177-L179 PolarHBondContact O-N 3.13Å; I177-L179 VanDerWaalsContact O-N 3.12Å; L179-W190 HydrophobicContact CB-CH2 4.35Å; L179-W190 HydrophobicContact CB-CZ3 4.14Å; L179-L191 CarbonylContact O-C 3.48Å; L179-L191 WeakPolarHBondContact O-CA 3.47Å; L179-L191 PolarHBondContact O-N 3.45Å; L179-G192 PolarHBondContact O-N 3.22Å; L179-G192 VanDerWaalsContact O-N 3.07Å; L179-I195 HydrophobicContact CD2-CD1 4.12Å
180I89.8Confident90.3Very high5 Ų570 Ų703%0.02636%0.364CS..EExtended strand (participates in β ladder)trans-135.6157169.764.8173.1000111.1T171 L174 E175 Q178 I188 Q189 W190T171-I180 HydrophobicContact CG2-CD1 3.87Å; L174-I180 HydrophobicContact CB-CD1 3.86Å; L174-I180 HydrophobicContact CB-CG1 3.77Å; L174-I180 HydrophobicContact CB-CG2 4.2Å; L174-I180 HydrophobicContact CD1-CG2 4.43Å; L174-I180 PolarHBondContact O-N 2.81Å; E175-I180 HydrophobicContact CB-CG1 4.09Å; Q178-I180 VanDerWaalsContact C-N 3.29Å; I180-I188 HydrophobicContact CD1-CD1 3.95Å; I180-I188 HydrophobicContact CD1-CG2 4.42Å; I180-Q189 CarbonylContact C-O 3.59Å; I180-Q189 WeakPolarHBondContact CA-O 3.29Å; I180-Q189 WeakPolarHBondContact CB-O 3.4Å; I180-W190 HydrophobicContact CG2-CE3 3.61Å; I180-W190 HydrophobicContact CG2-CZ3 4.03Å
181S89.7Confident89.6Confident57 Ų5771.9 Ų71.940%0.39938%0.375SS..EExtended strand (participates in β ladder)trans-130.3152.2168.9172.40000111.3K183 I188 Q189S181-K183 PolarHBondContact O-N 3.32Å; S181-I188 CarbonylContact O-C 3.58Å; S181-I188 WeakPolarHBondContact O-CA 3.38Å; S181-Q189 PolarHBondContact N-O 2.88Å; S181-Q189 PolarHBondContact O-N 3.44Å
182K91.4Very high88.4Confident134 Ų13472.2 Ų72.258%0.58338%0.379SS*.EExtended strand (participates in β ladder)trans-84.597.6-179.7-175.1-179.6-179.8178.50111S184K182-S184 WeakPolarHBondContact CG-O 3.19Å
183K87.9Confident86.8Confident128 Ų12874 Ų7456%0.55739%0.388SS*.  trans-71.4-35.4177.5-169.4172-175.7174.20112.8V150 S181 N187 Q189V150-K183 HydrophobicContact CG1-CD 4.3Å; V150-K183 HydrophobicContact CG2-CD 3.72Å; S181-K183 PolarHBondContact O-N 3.32Å; K183-N187 PolarHBondContact N-O 3.02Å; K183-N187 VanDerWaalsContact N-O 3.08Å; K183-Q189 HydrophobicContact CB-CB 4.3Å
184S90.5Very high85.1Confident50 Ų5078.4 Ų78.435%0.3540%0.396SS..SBendtrans-157.6-176.5174.482.20000112.2K182 N186 N187K182-S184 WeakPolarHBondContact CG-O 3.19Å; S184-N186 PolarHBondContact O-N 2.99Å; S184-N187 PolarHBondContact N-O 3.33Å; S184-N187 PolarHBondContact O-N 3.32Å; S184-N187 WeakPolarHBondContact OG-CB 3.13Å; S184-N187 PolarHBondContact OG-N 3.49Å; S184-N187 PolarHBondContact OG-ND2 2.9Å
185K86.6Confident83.6Confident183 Ų18382.7 Ų82.780%0.79642%0.417SS*.SBendtrans-55.7-32.9-178.6-174.7174.3179.2178.20114
186N89.6Confident82.4Confident67 Ų6782.1 Ų82.136%0.35842%0.417SS..SBendtrans-118.2-10.6-179.2-69.1-15.4000113.6D152 L153 N154 S184D152-N186 WeakPolarHBondContact CA-O 3.29Å; L153-N186 WeakPolarHBondContact CG-O 3.36Å; L153-N186 PolarHBondContact N-O 3.08Å; N154-N186 VanDerWaalsContact ND2-CG 3.3Å; N154-N186 PolarHBondContact ND2-ND2 2.87Å; N154-N186 VanDerWaalsContact ND2-ND2 3.11Å; S184-N186 PolarHBondContact O-N 2.99Å
187N89.9Confident81.3Confident53 Ų5384 Ų8428%0.28342%0.416SS..EExtended strand (participates in β ladder)trans-113.3127.3-175.5-59.1-37.9000110.9V150 V151 D152 K183 S184V150-N187 HydrophobicContact CG1-CB 3.89Å; V151-N187 WeakPolarHBondContact O-CA 3.5Å; D152-N187 WeakPolarHBondContact CA-OD1 3.44Å; D152-N187 WeakPolarHBondContact CB-OD1 3.38Å; K183-N187 PolarHBondContact N-O 3.02Å; K183-N187 VanDerWaalsContact N-O 3.08Å; S184-N187 PolarHBondContact N-O 3.33Å; S184-N187 PolarHBondContact O-N 3.32Å; S184-N187 WeakPolarHBondContact OG-CB 3.13Å; S184-N187 PolarHBondContact OG-N 3.49Å; S184-N187 PolarHBondContact OG-ND2 2.9Å
188I91.6Very high80.6Confident9 Ų982 Ų825%0.04641%0.411CS..EExtended strand (participates in β ladder)trans-102.4155.8167.257.7162.8000109.9F139 L143 V150 V151 L153 T171 I180 S181F139-I188 HydrophobicContact CE1-CD1 4.01Å; F139-I188 HydrophobicContact CZ-CD1 3.54Å; L143-I188 HydrophobicContact CD2-CD1 3.92Å; L143-I188 HydrophobicContact CD2-CG1 4.44Å; V150-I188 WeakPolarHBondContact CA-O 3.29Å; V151-I188 HydrophobicContact CB-CG1 4.28Å; V151-I188 PolarHBondContact N-O 2.73Å; V151-I188 WeakPolarHBondContact O-CG1 3.45Å; V151-I188 PolarHBondContact O-N 3.27Å; L153-I188 HydrophobicContact CD1-CG2 4.38Å; L153-I188 HydrophobicContact CD2-CD1 4.03Å; L153-I188 HydrophobicContact CD2-CG1 3.91Å; L153-I188 HydrophobicContact CD2-CG2 3.93Å; L153-I188 HydrophobicContact CG-CG2 4.4Å; T171-I188 HydrophobicContact CG2-CD1 4.05Å; T171-I188 HydrophobicContact CG2-CG2 4.45Å; I180-I188 HydrophobicContact CD1-CD1 3.95Å; I180-I188 HydrophobicContact CD1-CG2 4.42Å; S181-I188 CarbonylContact O-C 3.58Å; S181-I188 WeakPolarHBondContact O-CA 3.38Å
189Q89.8Confident80.4Confident59 Ų5979.6 Ų79.628%0.27640%0.403SS..EExtended strand (participates in β ladder)trans-117.6129.1174.3-174.3168.54.400109.8G149 V150 I180 S181 K183 L191G149-Q189 CarbonylContact O-C 3.53Å; G149-Q189 VanDerWaalsContact O-CA 3.3Å; G149-Q189 WeakPolarHBondContact O-CA 3.2Å; V150-Q189 HydrophobicContact CG2-CB 4.24Å; V150-Q189 HydrophobicContact CG2-CG 4.1Å; I180-Q189 CarbonylContact C-O 3.59Å; I180-Q189 WeakPolarHBondContact CA-O 3.29Å; I180-Q189 WeakPolarHBondContact CB-O 3.4Å; S181-Q189 PolarHBondContact N-O 2.88Å; S181-Q189 PolarHBondContact O-N 3.44Å; K183-Q189 HydrophobicContact CB-CB 4.3Å; Q189-L191 PolarHBondContact O-N 3.33Å
190W89.5Confident80.3Confident50 Ų5081.5 Ų81.519%0.18942%0.416CS..EExtended strand (participates in β ladder)trans-68.3118170.7-174.3-121.3000109.8L140 L143 G149 L179 I180L140-W190 HydrophobicContact CD2-CH2 3.77Å; L140-W190 HydrophobicContact CD2-CZ3 3.75Å; L143-W190 HydrophobicContact CB-CD2 4.23Å; L143-W190 HydrophobicContact CB-CE3 4.17Å; L143-W190 HydrophobicContact CB-CG 4.38Å; L143-W190 HydrophobicContact CD1-CE3 3.85Å; L143-W190 HydrophobicContact CD1-CZ3 4.2Å; L143-W190 HydrophobicContact CD2-CB 4.01Å; L143-W190 HydrophobicContact CD2-CE3 4.38Å; L143-W190 HydrophobicContact CG-CE3 4.37Å; G149-W190 WeakPolarHBondContact O-CB 3.43Å; G149-W190 PolarHBondContact O-N 2.92Å; L179-W190 HydrophobicContact CB-CH2 4.35Å; L179-W190 HydrophobicContact CB-CZ3 4.14Å; I180-W190 HydrophobicContact CG2-CE3 3.61Å; I180-W190 HydrophobicContact CG2-CZ3 4.03Å
191L80.3Confident80.1Confident46 Ų4684.4 Ų84.424%0.24144%0.437CS..  trans-99.7-13171.6-57.2-178.7000111.7L179 Q189 N193 R194L179-L191 CarbonylContact O-C 3.48Å; L179-L191 WeakPolarHBondContact O-CA 3.47Å; L179-L191 PolarHBondContact O-N 3.45Å; Q189-L191 PolarHBondContact O-N 3.33Å; L191-N193 PolarHBondContact O-N 3.28Å; L191-N193 VanDerWaalsContact O-N 3.13Å; L191-R194 WeakPolarHBondContact O-CA 3.49Å; L191-R194 WeakPolarHBondContact O-CB 3.41Å; L191-R194 PolarHBondContact O-N 3.41Å
192G68.5Low80.1Confident13 Ų1389.2 Ų89.213%0.13445%0.447CS..G310 helixtrans-61.5-21179.900000114.9L179 R194 I195L179-G192 PolarHBondContact O-N 3.22Å; L179-G192 VanDerWaalsContact O-N 3.07Å; G192-R194 PolarHBondContact O-N 3.48Å; G192-I195 PolarHBondContact O-N 3.23Å
193N60.9Low80.1Confident134 Ų13488 Ų8872%0.71744%0.443SS*.G310 helixtrans-791.2170.4-145.467.8000113.4L191L191-N193 PolarHBondContact O-N 3.28Å; L191-N193 VanDerWaalsContact O-N 3.13Å
194R58.4Low80.4Confident184 Ų18488.9 Ų88.969%0.69445%0.447SS*.G310 helixtrans-96.80.7167.8-57.8174.4154.7-93.6-3.2112.7L191 G192 D196L191-R194 WeakPolarHBondContact O-CA 3.49Å; L191-R194 WeakPolarHBondContact O-CB 3.41Å; L191-R194 PolarHBondContact O-N 3.41Å; G192-R194 PolarHBondContact O-N 3.48Å; R194-D196 PolarHBondContact O-N 3.36Å
195I59.3Low80.6Confident105 Ų10592.2 Ų92.254%0.53846%0.457SS..SBendtrans-69.185.7151.2-58176000104L179 G192 T197 V200L179-I195 HydrophobicContact CD2-CD1 4.12Å; G192-I195 PolarHBondContact O-N 3.23Å; I195-T197 PolarHBondContact O-N 3.45Å; I195-V200 HydrophobicContact CG2-CG2 4.19Å
196D64.6Low81.1Confident76 Ų7687.1 Ų87.141%0.40644%0.438SS..  trans-60.2135.8-164-169.1-10000109.9R194 S198 L199 V200R194-D196 PolarHBondContact O-N 3.36Å; D196-S198 PolarHBondContact O-N 3.48Å; D196-S198 VanDerWaalsContact O-N 3.13Å; D196-S198 PolarHBondContact OD1-N 3.05Å; D196-S198 PolarHBondContact OD1-OG 2.7Å; D196-S198 WeakPolarHBondContact OD2-CB 3.44Å; D196-S198 PolarHBondContact OD2-OG 3.15Å; D196-L199 HydrophobicContact CB-CB 4.37Å; D196-L199 HydrophobicContact CB-CD1 4.17Å; D196-L199 HydrophobicContact CB-CG 4.06Å; D196-L199 WeakPolarHBondContact O-CA 3.47Å; D196-L199 WeakPolarHBondContact O-CB 3.46Å; D196-L199 PolarHBondContact O-N 3.32Å; D196-V200 PolarHBondContact O-N 3.09Å; D196-V200 VanDerWaalsContact O-N 3.1Å
197T68Low81.4Confident104 Ų10489 Ų8964%0.63844%0.444SS*.Hα-helixtrans-55.6-27.6170.1-56.20000110.2I195 S201I195-T197 PolarHBondContact O-N 3.45Å; T197-S201 VanDerWaalsContact O-CB 3.27Å; T197-S201 WeakPolarHBondContact O-CB 3.26Å; T197-S201 PolarHBondContact O-N 2.86Å; T197-S201 PolarHBondContact O-OG 3.22Å
198S74Confident81.8Confident64 Ų6493.4 Ų93.445%0.44846%0.457SS..Hα-helixtrans-62.7-43.7170.482.80000112.4D196 S201 R202D196-S198 PolarHBondContact O-N 3.48Å; D196-S198 VanDerWaalsContact O-N 3.13Å; D196-S198 PolarHBondContact OD1-N 3.05Å; D196-S198 PolarHBondContact OD1-OG 2.7Å; D196-S198 WeakPolarHBondContact OD2-CB 3.44Å; D196-S198 PolarHBondContact OD2-OG 3.15Å; S198-S201 PolarHBondContact O-N 2.88Å; S198-R202 VanDerWaalsContact O-CB 3.28Å; S198-R202 WeakPolarHBondContact O-CB 3.19Å; S198-R202 PolarHBondContact O-N 2.88Å
199L81.9Confident82.1Confident104 Ų10498 Ų9855%0.54548%0.478SS..Hα-helixtrans-68.2-40.5179.6-71.2173000111.9D196 H203D196-L199 HydrophobicContact CB-CB 4.37Å; D196-L199 HydrophobicContact CB-CD1 4.17Å; D196-L199 HydrophobicContact CB-CG 4.06Å; D196-L199 WeakPolarHBondContact O-CA 3.47Å; D196-L199 WeakPolarHBondContact O-CB 3.46Å; D196-L199 PolarHBondContact O-N 3.32Å; L199-H203 VanDerWaalsContact O-CB 3.27Å; L199-H203 WeakPolarHBondContact O-CB 3.41Å; L199-H203 PolarHBondContact O-N 3.31Å
200V84.1Confident82.5Confident86 Ų8699.5 Ų99.552%0.52149%0.491SS..Hα-helixtrans-66.7-39.3174.7-179.40000110.9I195 D196 K204I195-V200 HydrophobicContact CG2-CG2 4.19Å; D196-V200 PolarHBondContact O-N 3.09Å; D196-V200 VanDerWaalsContact O-N 3.1Å; V200-K204 WeakPolarHBondContact O-CB 3.45Å; V200-K204 PolarHBondContact O-N 2.8Å
201S85.4Confident82.9Confident66 Ų66101.1 Ų101.146%0.46251%0.509SS..Hα-helixtrans-67.3-46.7176.6-57.30000111.5T197 S198 H203 K204 E205T197-S201 VanDerWaalsContact O-CB 3.27Å; T197-S201 WeakPolarHBondContact O-CB 3.26Å; T197-S201 PolarHBondContact O-N 2.86Å; T197-S201 PolarHBondContact O-OG 3.22Å; S198-S201 PolarHBondContact O-N 2.88Å; S201-H203 VanDerWaalsContact C-N 3.35Å; S201-H203 PolarHBondContact O-N 3.05Å; S201-K204 WeakPolarHBondContact O-CB 3.42Å; S201-K204 PolarHBondContact O-N 2.87Å; S201-K204 VanDerWaalsContact O-N 3.15Å; S201-E205 WeakPolarHBondContact O-CB 3.36Å; S201-E205 PolarHBondContact O-N 3.37Å
202R90Very high83.8Confident159 Ų159103.1 Ų103.160%0.652%0.52SS*.Hα-helixtrans-61.6-40.4175.4-174.2-179.9-178.8-167.80.5111.9S198 K204 E205 L206S198-R202 VanDerWaalsContact O-CB 3.28Å; S198-R202 WeakPolarHBondContact O-CB 3.19Å; S198-R202 PolarHBondContact O-N 2.88Å; R202-K204 VanDerWaalsContact C-N 3.32Å; R202-K204 PolarHBondContact O-N 3.4Å; R202-E205 PolarHBondContact O-N 3.23Å; R202-L206 HydrophobicContact CG-CD1 4.05Å; R202-L206 HydrophobicContact CG-CG 4.4Å; R202-L206 WeakPolarHBondContact O-CB 3.47Å; R202-L206 VanDerWaalsContact O-CG 3.29Å; R202-L206 WeakPolarHBondContact O-CG 3.27Å; R202-L206 PolarHBondContact O-N 3.46Å
203H91Very high85.2Confident109 Ų109107.6 Ų107.651%0.50554%0.541SS..Hα-helixtrans-62.4-41.3174.6-179.260.4000111.6L199 S201 Q207L199-H203 VanDerWaalsContact O-CB 3.27Å; L199-H203 WeakPolarHBondContact O-CB 3.41Å; L199-H203 PolarHBondContact O-N 3.31Å; S201-H203 VanDerWaalsContact C-N 3.35Å; S201-H203 PolarHBondContact O-N 3.05Å; H203-Q207 PolarHBondContact NE2-NE2 3.26Å; H203-Q207 WeakPolarHBondContact O-CB 3.29Å; H203-Q207 VanDerWaalsContact O-CG 3.32Å; H203-Q207 WeakPolarHBondContact O-CG 3.28Å; H203-Q207 PolarHBondContact O-N 3.44Å
204K93.8Very high87Confident145 Ų145104 Ų10463%0.6352%0.523SS*.Hα-helixtrans-68.1-34.5176.1-174.6178.9178.2-177.30112.9V200 S201 R202 R208V200-K204 WeakPolarHBondContact O-CB 3.45Å; V200-K204 PolarHBondContact O-N 2.8Å; S201-K204 WeakPolarHBondContact O-CB 3.42Å; S201-K204 PolarHBondContact O-N 2.87Å; S201-K204 VanDerWaalsContact O-N 3.15Å; R202-K204 VanDerWaalsContact C-N 3.32Å; R202-K204 PolarHBondContact O-N 3.4Å; K204-R208 PolarHBondContact O-N 3.08Å; K204-R208 VanDerWaalsContact O-N 3.08Å
205E95.7Very high88.9Confident120 Ų120100.6 Ų100.656%0.56152%0.515SS*.Hα-helixtrans-67.3-51.4174.4-176.9164.1-125.800111.1S201 R202 Q207 R208 E209S201-E205 WeakPolarHBondContact O-CB 3.36Å; S201-E205 PolarHBondContact O-N 3.37Å; R202-E205 PolarHBondContact O-N 3.23Å; E205-Q207 VanDerWaalsContact C-N 3.28Å; E205-Q207 PolarHBondContact O-N 2.88Å; E205-R208 WeakPolarHBondContact O-CA 3.44Å; E205-R208 WeakPolarHBondContact O-CB 3.49Å; E205-R208 PolarHBondContact O-N 3.08Å; E205-E209 PolarHBondContact O-N 3.08Å
206L97.1Very high90.8Very high76 Ų7698.1 Ų98.140%0.39851%0.51SS..Hα-helixtrans-59.1-36.5173.3-69.5169.2000112.3R202 R208 E209 V210R202-L206 HydrophobicContact CG-CD1 4.05Å; R202-L206 HydrophobicContact CG-CG 4.4Å; R202-L206 WeakPolarHBondContact O-CB 3.47Å; R202-L206 VanDerWaalsContact O-CG 3.29Å; R202-L206 WeakPolarHBondContact O-CG 3.27Å; R202-L206 PolarHBondContact O-N 3.46Å; L206-R208 VanDerWaalsContact C-N 3.34Å; L206-E209 PolarHBondContact O-N 3.44Å; L206-V210 WeakPolarHBondContact O-CB 3.32Å; L206-V210 VanDerWaalsContact O-CG2 3.26Å; L206-V210 WeakPolarHBondContact O-CG2 3.27Å; L206-V210 PolarHBondContact O-N 2.88Å
207Q96.9Very high92.4Very high107 Ų107100.4 Ų100.450%0.552%0.519SS..Hα-helixtrans-65.1-35.8173.2-83.3-173.2-36.700112.7H203 E205 C211H203-Q207 PolarHBondContact NE2-NE2 3.26Å; H203-Q207 WeakPolarHBondContact O-CB 3.29Å; H203-Q207 VanDerWaalsContact O-CG 3.32Å; H203-Q207 WeakPolarHBondContact O-CG 3.28Å; H203-Q207 PolarHBondContact O-N 3.44Å; E205-Q207 VanDerWaalsContact C-N 3.28Å; E205-Q207 PolarHBondContact O-N 2.88Å; Q207-C211 PolarHBondContact O-N 3.13Å; Q207-C211 PolarHBondContact O-SG 3.1Å; Q207-C211 VanDerWaalsContact O-SG 3.34Å
208R97.6Very high93.9Very high146 Ų146101.8 Ų101.855%0.55152%0.518SS*.Hα-helixtrans-67.9-50.9172.5-175.6-165.7-66.4139.1-2.6110.1K204 E205 L206 V210 C211 D212K204-R208 PolarHBondContact O-N 3.08Å; K204-R208 VanDerWaalsContact O-N 3.08Å; E205-R208 WeakPolarHBondContact O-CA 3.44Å; E205-R208 WeakPolarHBondContact O-CB 3.49Å; E205-R208 PolarHBondContact O-N 3.08Å; L206-R208 VanDerWaalsContact C-N 3.34Å; R208-V210 VanDerWaalsContact C-N 3.27Å; R208-V210 PolarHBondContact O-N 3.42Å; R208-C211 CarbonylContact O-C 3.52Å; R208-C211 WeakPolarHBondContact O-CA 3.42Å; R208-C211 WeakPolarHBondContact O-CB 3.42Å; R208-C211 PolarHBondContact O-N 2.94Å; R208-D212 WeakPolarHBondContact CG-OD2 3.38Å; R208-D212 VanDerWaalsContact O-CG 3.25Å; R208-D212 PolarHBondContact O-N 3.31Å
209E98Very high95Very high105 Ų105103.7 Ų103.749%0.49152%0.52SS..Hα-helixtrans-54.7-42.8179.5-174.4179.1-173.100111.7E205 L206 D212 L213E205-E209 PolarHBondContact O-N 3.08Å; L206-E209 PolarHBondContact O-N 3.44Å; E209-D212 PolarHBondContact O-N 3Å; E209-L213 HydrophobicContact CG-CD1 4.06Å; E209-L213 VanDerWaalsContact O-CB 3.29Å; E209-L213 WeakPolarHBondContact O-CB 3.2Å; E209-L213 WeakPolarHBondContact O-CG 3.16Å; E209-L213 PolarHBondContact O-N 2.94Å
210V98.4Very high95.8Very high91 Ų91103.5 Ų103.555%0.55252%0.519SS*.Hα-helixtrans-61.9-43.1173.1168.60000112L206 R208 T214L206-V210 WeakPolarHBondContact O-CB 3.32Å; L206-V210 VanDerWaalsContact O-CG2 3.26Å; L206-V210 WeakPolarHBondContact O-CG2 3.27Å; L206-V210 PolarHBondContact O-N 2.88Å; R208-V210 VanDerWaalsContact C-N 3.27Å; R208-V210 PolarHBondContact O-N 3.42Å; V210-T214 WeakPolarHBondContact O-CB 3.39Å; V210-T214 PolarHBondContact O-N 3.49Å; V210-T214 PolarHBondContact O-OG1 3.32Å
211C98.3Very high96.5Very high83 Ų83104.1 Ų104.156%0.56152%0.519SS*.Hα-helixtrans-63.8-44.9175.1-72.20000112.7Q207 R208 L213 T214 E215Q207-C211 PolarHBondContact O-N 3.13Å; Q207-C211 PolarHBondContact O-SG 3.1Å; Q207-C211 VanDerWaalsContact O-SG 3.34Å; R208-C211 CarbonylContact O-C 3.52Å; R208-C211 WeakPolarHBondContact O-CA 3.42Å; R208-C211 WeakPolarHBondContact O-CB 3.42Å; R208-C211 PolarHBondContact O-N 2.94Å; C211-L213 VanDerWaalsContact C-N 3.32Å; C211-L213 PolarHBondContact O-N 2.71Å; C211-T214 PolarHBondContact O-N 3.48Å; C211-E215 PolarHBondContact O-N 2.89Å
212D98.3Very high97.1Very high89 Ų89107.7 Ų107.748%0.47653%0.528SS..Hα-helixtrans-64.4-38.3-179.9-60.2-9000110.6R208 E209 A216R208-D212 WeakPolarHBondContact CG-OD2 3.38Å; R208-D212 VanDerWaalsContact O-CG 3.25Å; R208-D212 PolarHBondContact O-N 3.31Å; E209-D212 PolarHBondContact O-N 3Å; D212-A216 PolarHBondContact O-N 2.75Å; D212-A216 VanDerWaalsContact O-N 3.1Å
213L98.4Very high97.5Very high107 Ų107105.2 Ų105.256%0.5653%0.527SS*.Hα-helixtrans-68.7-41.7174.1-73.5171.4000112.6E209 C211 E215 A216 E217E209-L213 HydrophobicContact CG-CD1 4.06Å; E209-L213 VanDerWaalsContact O-CB 3.29Å; E209-L213 WeakPolarHBondContact O-CB 3.2Å; E209-L213 WeakPolarHBondContact O-CG 3.16Å; E209-L213 PolarHBondContact O-N 2.94Å; C211-L213 VanDerWaalsContact C-N 3.32Å; C211-L213 PolarHBondContact O-N 2.71Å; L213-E215 VanDerWaalsContact C-N 3.33Å; L213-A216 PolarHBondContact O-N 3.29Å; L213-E217 WeakPolarHBondContact O-CB 3.38Å; L213-E217 PolarHBondContact O-N 3.4Å
214T98.5Very high97.9Very high58 Ų58104.1 Ų104.136%0.35652%0.524SS..Hα-helixtrans-63.4-39.2174.5-62.20000111.5V210 C211 A216 E217 E218V210-T214 WeakPolarHBondContact O-CB 3.39Å; V210-T214 PolarHBondContact O-N 3.49Å; V210-T214 PolarHBondContact O-OG1 3.32Å; C211-T214 PolarHBondContact O-N 3.48Å; T214-A216 VanDerWaalsContact C-N 3.33Å; T214-A216 PolarHBondContact O-N 3.22Å; T214-E217 PolarHBondContact O-N 2.93Å; T214-E218 HydrophobicContact CG2-CG 4.5Å; T214-E218 WeakPolarHBondContact O-CG 3.46Å; T214-E218 PolarHBondContact O-N 2.62Å
215E98.6Very high98.1Very high113 Ų113101 Ų10153%0.52852%0.52SS..Hα-helixtrans-63.1-40.4174.2-169.4-178160.900111.5C211 L213 Q219C211-E215 PolarHBondContact O-N 2.89Å; L213-E215 VanDerWaalsContact C-N 3.33Å; E215-Q219 WeakPolarHBondContact O-CB 3.48Å; E215-Q219 VanDerWaalsContact O-CG 3.26Å; E215-Q219 WeakPolarHBondContact O-CG 3.42Å; E215-Q219 PolarHBondContact O-N 3.27Å; E215-Q219 PolarHBondContact OE1-NE2 2.76Å
216A98.3Very high98.2Very high52 Ų52101.6 Ų101.643%0.4352%0.521SS..Hα-helixtrans-67-36.9175.800000113.2D212 L213 T214 L220D212-A216 PolarHBondContact O-N 2.75Å; D212-A216 VanDerWaalsContact O-N 3.1Å; L213-A216 PolarHBondContact O-N 3.29Å; T214-A216 VanDerWaalsContact C-N 3.33Å; T214-A216 PolarHBondContact O-N 3.22Å; A216-L220 WeakPolarHBondContact O-CB 3.38Å; A216-L220 PolarHBondContact O-N 2.76Å
217E98.6Very high98.3Very high125 Ų125101.3 Ų101.358%0.58453%0.525SS*.Hα-helixtrans-64.5-48.3173.9-172.8174.8-163.300111L213 T214 Q219 L220 D221L213-E217 WeakPolarHBondContact O-CB 3.38Å; L213-E217 PolarHBondContact O-N 3.4Å; T214-E217 PolarHBondContact O-N 2.93Å; E217-Q219 VanDerWaalsContact C-N 3.33Å; E217-Q219 PolarHBondContact O-N 2.8Å; E217-L220 PolarHBondContact O-N 3.25Å; E217-L220 VanDerWaalsContact O-N 3.15Å; E217-D221 PolarHBondContact O-N 3.34Å
218E98.6Very high98.3Very high133 Ų13398.8 Ų98.862%0.62152%0.516SS*.Hα-helixtrans-59.2-41.1175.8-73.6-178.9179.300112.3T214 E222T214-E218 HydrophobicContact CG2-CG 4.5Å; T214-E218 WeakPolarHBondContact O-CG 3.46Å; T214-E218 PolarHBondContact O-N 2.62Å; E218-E222 PolarHBondContact O-N 3.47Å; E218-E222 VanDerWaalsContact O-N 3.08Å
219Q98.6Very high98.3Very high103 Ų10396.5 Ų96.548%0.48151%0.514SS..Hα-helixtrans-65.3-40.1175.1-73.4176.325.500112.4E215 E217 E222 L223E215-Q219 WeakPolarHBondContact O-CB 3.48Å; E215-Q219 VanDerWaalsContact O-CG 3.26Å; E215-Q219 WeakPolarHBondContact O-CG 3.42Å; E215-Q219 PolarHBondContact O-N 3.27Å; E215-Q219 PolarHBondContact OE1-NE2 2.76Å; E217-Q219 VanDerWaalsContact C-N 3.33Å; E217-Q219 PolarHBondContact O-N 2.8Å; Q219-E222 PolarHBondContact O-N 3.38Å; Q219-L223 WeakPolarHBondContact O-CG 3.43Å; Q219-L223 PolarHBondContact O-N 3.32Å
220L98.6Very high98.2Very high101 Ų10197.1 Ų97.153%0.52952%0.517SS..Hα-helixtrans-67.2-42.2178.2-177.459.4000111.3A216 E217 E222 L223 I224A216-L220 WeakPolarHBondContact O-CB 3.38Å; A216-L220 PolarHBondContact O-N 2.76Å; E217-L220 PolarHBondContact O-N 3.25Å; E217-L220 VanDerWaalsContact O-N 3.15Å; L220-E222 VanDerWaalsContact C-N 3.35Å; L220-E222 PolarHBondContact O-N 3.25Å; L220-L223 PolarHBondContact O-N 3.4Å; L220-I224 HydrophobicContact CD1-CD1 4.24Å; L220-I224 HydrophobicContact CD1-CG1 4.38Å; L220-I224 HydrophobicContact CG-CD1 3.88Å; L220-I224 HydrophobicContact CG-CG1 4.45Å; L220-I224 WeakPolarHBondContact O-CG1 3.31Å; L220-I224 PolarHBondContact O-N 3.13Å
221D98.6Very high98.1Very high99 Ų9997.5 Ų97.553%0.52952%0.516SS..Hα-helixtrans-62.2-38.4175.1-90.5-9000112.4E217 L223 I224 S225E217-D221 PolarHBondContact O-N 3.34Å; D221-L223 PolarHBondContact O-N 3.23Å; D221-I224 PolarHBondContact O-N 3.43Å; D221-S225 WeakPolarHBondContact O-CB 3.42Å; D221-S225 PolarHBondContact O-N 3.07Å
222E98.4Very high97.8Very high140 Ų140100.2 Ų100.265%0.65451%0.514SS*.Hα-helixtrans-60.7-45172.6-167.8-172.2163.500111.2E218 Q219 L220 S225 K226E218-E222 PolarHBondContact O-N 3.47Å; E218-E222 VanDerWaalsContact O-N 3.08Å; Q219-E222 PolarHBondContact O-N 3.38Å; L220-E222 VanDerWaalsContact C-N 3.35Å; L220-E222 PolarHBondContact O-N 3.25Å; E222-S225 PolarHBondContact O-N 3Å; E222-K226 VanDerWaalsContact O-CB 3.29Å; E222-K226 WeakPolarHBondContact O-CB 3.45Å; E222-K226 PolarHBondContact O-N 2.99Å
223L98.5Very high97.6Very high108 Ų108101.2 Ų101.257%0.56552%0.519SS*.Hα-helixtrans-66.1-42.4178.8-68.3174.5000112.4Q219 L220 D221 K226 C227Q219-L223 WeakPolarHBondContact O-CG 3.43Å; Q219-L223 PolarHBondContact O-N 3.32Å; L220-L223 PolarHBondContact O-N 3.4Å; D221-L223 PolarHBondContact O-N 3.23Å; L223-K226 PolarHBondContact O-N 3.29Å; L223-C227 VanDerWaalsContact O-CB 3.29Å; L223-C227 WeakPolarHBondContact O-CB 3.43Å; L223-C227 PolarHBondContact O-N 2.89Å
224I98.6Very high97.3Very high86 Ų86100.3 Ų100.344%0.44151%0.514SS..Hα-helixtrans-62.6-45175.3-70168.8000110.2L220 D221 C227 T228L220-I224 HydrophobicContact CD1-CD1 4.24Å; L220-I224 HydrophobicContact CD1-CG1 4.38Å; L220-I224 HydrophobicContact CG-CD1 3.88Å; L220-I224 HydrophobicContact CG-CG1 4.45Å; L220-I224 WeakPolarHBondContact O-CG1 3.31Å; L220-I224 PolarHBondContact O-N 3.13Å; D221-I224 PolarHBondContact O-N 3.43Å; I224-C227 PolarHBondContact O-N 3.25Å; I224-T228 VanDerWaalsContact O-CB 3.25Å; I224-T228 WeakPolarHBondContact O-CB 3.39Å; I224-T228 PolarHBondContact O-N 3.24Å; I224-T228 PolarHBondContact O-OG1 2.83Å
225S98.5Very high96.9Very high80 Ų80101.6 Ų101.656%0.55952%0.522SS*.Hα-helixtrans-60.3-47.7177.3-178.40000111.6D221 E222 T228 L229D221-S225 WeakPolarHBondContact O-CB 3.42Å; D221-S225 PolarHBondContact O-N 3.07Å; E222-S225 PolarHBondContact O-N 3Å; S225-T228 PolarHBondContact O-N 3.08Å; S225-L229 WeakPolarHBondContact O-CB 3.41Å; S225-L229 PolarHBondContact O-N 3.22Å
226K98.2Very high96.4Very high132 Ų132102.7 Ų102.757%0.57453%0.527SS*.Hα-helixtrans-62.2-45.2177-177.4179.5178-178.40112.5E222 L223 L229 Q230E222-K226 VanDerWaalsContact O-CB 3.29Å; E222-K226 WeakPolarHBondContact O-CB 3.45Å; E222-K226 PolarHBondContact O-N 2.99Å; L223-K226 PolarHBondContact O-N 3.29Å; K226-L229 PolarHBondContact O-N 3.42Å; K226-Q230 WeakPolarHBondContact O-CB 3.3Å; K226-Q230 PolarHBondContact O-N 3.36Å
227C98.3Very high96Very high70 Ų70105.1 Ų105.147%0.47353%0.53SS..Hα-helixtrans-63.8-46.7177.2-171.70000111.4L223 I224 L229 Q230 L231L223-C227 VanDerWaalsContact O-CB 3.29Å; L223-C227 WeakPolarHBondContact O-CB 3.43Å; L223-C227 PolarHBondContact O-N 2.89Å; I224-C227 PolarHBondContact O-N 3.25Å; C227-L229 VanDerWaalsContact C-N 3.33Å; C227-L229 PolarHBondContact O-N 3.05Å; C227-Q230 PolarHBondContact O-N 3.35Å; C227-Q230 VanDerWaalsContact O-N 3.15Å; C227-L231 WeakPolarHBondContact O-CG 3.42Å; C227-L231 PolarHBondContact O-N 2.99Å
228T97.8Very high95.4Very high53 Ų53103.7 Ų103.733%0.32553%0.531SS..Hα-helixtrans-58.4-43.3175.9-59.20000111.7I224 S225 L231 R232I224-T228 VanDerWaalsContact O-CB 3.25Å; I224-T228 WeakPolarHBondContact O-CB 3.39Å; I224-T228 PolarHBondContact O-N 3.24Å; I224-T228 PolarHBondContact O-OG1 2.83Å; S225-T228 PolarHBondContact O-N 3.08Å; T228-L231 PolarHBondContact O-N 3.37Å; T228-R232 WeakPolarHBondContact O-CG 3.33Å; T228-R232 PolarHBondContact O-N 3.24Å
229L96.4Very high94.8Very high98 Ų98104.4 Ų104.451%0.51354%0.535SS..Hα-helixtrans-63.4-43.8175.1179.761.6000111.7S225 K226 C227 R232 L233S225-L229 WeakPolarHBondContact O-CB 3.41Å; S225-L229 PolarHBondContact O-N 3.22Å; K226-L229 PolarHBondContact O-N 3.42Å; C227-L229 VanDerWaalsContact C-N 3.33Å; C227-L229 PolarHBondContact O-N 3.05Å; L229-R232 PolarHBondContact O-N 2.95Å; L229-L233 HydrophobicContact CD1-CD1 4.32Å; L229-L233 HydrophobicContact CD1-CG 4.29Å; L229-L233 HydrophobicContact CG-CD1 4.12Å; L229-L233 WeakPolarHBondContact O-CG 3.44Å; L229-L233 PolarHBondContact O-N 2.73Å
230Q96.4Very high94.3Very high118 Ų118102.2 Ų102.255%0.55153%0.526SS*.Hα-helixtrans-62.2-43.1177.3-176.5174.8-33.800111.8K226 C227 L233 L234K226-Q230 WeakPolarHBondContact O-CB 3.3Å; K226-Q230 PolarHBondContact O-N 3.36Å; C227-Q230 PolarHBondContact O-N 3.35Å; C227-Q230 VanDerWaalsContact O-N 3.15Å; Q230-L233 PolarHBondContact O-N 2.96Å; Q230-L234 HydrophobicContact CG-CD1 4.14Å; Q230-L234 WeakPolarHBondContact O-CB 3.5Å; Q230-L234 VanDerWaalsContact O-CG 3.28Å; Q230-L234 WeakPolarHBondContact O-CG 3.3Å; Q230-L234 PolarHBondContact O-N 2.8Å
231L95.1Very high93.7Very high100 Ų100102.8 Ų102.852%0.52453%0.53SS..Hα-helixtrans-62.4-41.5175-70.8172.9000112.2C227 T228 L234 T235C227-L231 WeakPolarHBondContact O-CG 3.42Å; C227-L231 PolarHBondContact O-N 2.99Å; T228-L231 PolarHBondContact O-N 3.37Å; L231-L234 PolarHBondContact O-N 2.9Å; L231-T235 WeakPolarHBondContact O-CB 3.2Å; L231-T235 WeakPolarHBondContact O-CG2 3.43Å; L231-T235 PolarHBondContact O-N 3.5Å; L231-T235 PolarHBondContact O-OG1 3.49Å
232R93.5Very high93.2Very high140 Ų140108 Ų10853%0.52854%0.542SS..Hα-helixtrans-61.1-51.2173.7-75.4-179.8-168.5161.75.6111.8T228 L229 L234 T235 E236T228-R232 WeakPolarHBondContact O-CG 3.33Å; T228-R232 PolarHBondContact O-N 3.24Å; L229-R232 PolarHBondContact O-N 2.95Å; R232-L234 VanDerWaalsContact C-N 3.27Å; R232-L234 PolarHBondContact O-N 3.46Å; R232-T235 PolarHBondContact O-N 3.46Å; R232-T235 VanDerWaalsContact O-N 3.08Å; R232-T235 PolarHBondContact O-OG1 2.87Å; R232-E236 WeakPolarHBondContact CB-OE1 3.2Å; R232-E236 VanDerWaalsContact O-CB 3.27Å; R232-E236 WeakPolarHBondContact O-CB 3.5Å; R232-E236 WeakPolarHBondContact O-CG 3.24Å; R232-E236 PolarHBondContact O-N 3.09Å
233L92.8Very high92.8Very high109 Ų109107.1 Ų107.157%0.57154%0.541SS*.Hα-helixtrans-57.6-40.6177.4-68.4172.3000111.9L229 Q230 T235 E237L229-L233 HydrophobicContact CD1-CD1 4.32Å; L229-L233 HydrophobicContact CD1-CG 4.29Å; L229-L233 HydrophobicContact CG-CD1 4.12Å; L229-L233 WeakPolarHBondContact O-CG 3.44Å; L229-L233 PolarHBondContact O-N 2.73Å; Q230-L233 PolarHBondContact O-N 2.96Å; L233-T235 PolarHBondContact O-N 3.12Å; L233-E237 VanDerWaalsContact O-CB 3.29Å; L233-E237 WeakPolarHBondContact O-CB 3.18Å; L233-E237 PolarHBondContact O-N 3.43Å
234L92Very high92.4Very high88 Ų88105.3 Ų105.346%0.46155%0.549SS..Hα-helixtrans-67-32.2177.1-73.6171.4000113.8Q230 L231 R232 N240Q230-L234 HydrophobicContact CG-CD1 4.14Å; Q230-L234 WeakPolarHBondContact O-CB 3.5Å; Q230-L234 VanDerWaalsContact O-CG 3.28Å; Q230-L234 WeakPolarHBondContact O-CG 3.3Å; Q230-L234 PolarHBondContact O-N 2.8Å; L231-L234 PolarHBondContact O-N 2.9Å; R232-L234 VanDerWaalsContact C-N 3.27Å; R232-L234 PolarHBondContact O-N 3.46Å; L234-N240 WeakPolarHBondContact O-CB 3.4Å; L234-N240 PolarHBondContact O-ND2 3.07Å; L234-N240 VanDerWaalsContact O-ND2 3.12Å
235T89.7Confident92Very high85 Ų85108.9 Ų108.952%0.52156%0.558SS.*Hα-helixtrans-96.6-31.2-173.8500000114.2L231 R232 L233 N241L231-T235 WeakPolarHBondContact O-CB 3.2Å; L231-T235 WeakPolarHBondContact O-CG2 3.43Å; L231-T235 PolarHBondContact O-N 3.5Å; L231-T235 PolarHBondContact O-OG1 3.49Å; R232-T235 PolarHBondContact O-N 3.46Å; R232-T235 VanDerWaalsContact O-N 3.08Å; R232-T235 PolarHBondContact O-OG1 2.87Å; L233-T235 PolarHBondContact O-N 3.12Å; T235-N241 PolarHBondContact O-ND2 2.81Å
236E89Confident91.6Very high136 Ų136110 Ų11064%0.63656%0.561SS**Hα-helixtrans-81.4-21.8178.5-65.8174.7-157.900112.4R232R232-E236 WeakPolarHBondContact CB-OE1 3.2Å; R232-E236 VanDerWaalsContact O-CB 3.27Å; R232-E236 WeakPolarHBondContact O-CB 3.5Å; R232-E236 WeakPolarHBondContact O-CG 3.24Å; R232-E236 PolarHBondContact O-N 3.09Å
237E90.6Very high91.3Very high103 Ų103110.2 Ų110.248%0.48156%0.558SS.*SBendtrans-64.3120.7176.7178.9121.3-106.300111.1L233 Q239 N240 N241L233-E237 VanDerWaalsContact O-CB 3.29Å; L233-E237 WeakPolarHBondContact O-CB 3.18Å; L233-E237 PolarHBondContact O-N 3.43Å; E237-Q239 HydrophobicContact CG-CB 4.39Å; E237-Q239 PolarHBondContact O-N 2.94Å; E237-N240 HydrophobicContact CB-CB 4.4Å; E237-N240 PolarHBondContact O-N 3.05Å; E237-N240 VanDerWaalsContact O-N 3.07Å; E237-N241 PolarHBondContact O-N 3.33Å
238P86.3Confident90.7Very high95 Ų95109.7 Ų109.762%0.61756%0.555SS**Hα-helixtrans-67.9-13.7-171.126.7-36.2000114.3R242P238-R242 WeakPolarHBondContact O-CD 3.46Å; P238-R242 WeakPolarHBondContact O-CG 3.39Å
239Q85.7Confident90.1Very high149 Ų149112.8 Ų112.870%0.69657%0.566SS**Hα-helixtrans-77.6-46.5171.9-59.8-16615.100111E237 R242E237-Q239 HydrophobicContact CG-CB 4.39Å; E237-Q239 PolarHBondContact O-N 2.94Å; Q239-R242 PolarHBondContact O-N 3.37Å
240N87.2Confident89.7Confident56 Ų56110.6 Ų110.630%0.29955%0.554SS.*Hα-helixtrans-70.1-38.1179.6-63.4-12.7000111.8L234 E237 R242 L243 G244L234-N240 WeakPolarHBondContact O-CB 3.4Å; L234-N240 PolarHBondContact O-ND2 3.07Å; L234-N240 VanDerWaalsContact O-ND2 3.12Å; E237-N240 HydrophobicContact CB-CB 4.4Å; E237-N240 PolarHBondContact O-N 3.05Å; E237-N240 VanDerWaalsContact O-N 3.07Å; N240-R242 PolarHBondContact O-N 3.08Å; N240-R242 VanDerWaalsContact O-N 3.15Å; N240-L243 CarbonylContact O-C 3.57Å; N240-L243 WeakPolarHBondContact O-CA 3.49Å; N240-L243 PolarHBondContact O-N 3.4Å; N240-G244 PolarHBondContact O-N 3.1Å
241N86.3Confident89.3Confident113 Ų113106.9 Ų106.960%0.60454%0.538SS*.Hα-helixtrans-55.3-34.5177-164.2-83.4000112.3T235 E237 L243T235-N241 PolarHBondContact O-ND2 2.81Å; E237-N241 PolarHBondContact O-N 3.33Å; N241-L243 VanDerWaalsContact C-N 3.3Å; N241-L243 PolarHBondContact O-N 3.09Å
242R87.7Confident88.6Confident208 Ų208105.1 Ų105.179%0.78552%0.524SS*.THydrogen-bonded Turntrans-76.4-13.6176.1-64.617670.4147.65.4114.3P238 Q239 N240P238-R242 WeakPolarHBondContact O-CD 3.46Å; P238-R242 WeakPolarHBondContact O-CG 3.39Å; Q239-R242 PolarHBondContact O-N 3.37Å; N240-R242 PolarHBondContact O-N 3.08Å; N240-R242 VanDerWaalsContact O-N 3.15Å
243L90.1Very high88.1Confident123 Ų123105.3 Ų105.364%0.64453%0.531SS*.THydrogen-bonded Turntrans-104.6-9.9178.7-61.2176.4000112.4N240 N241 Y245N240-L243 CarbonylContact O-C 3.57Å; N240-L243 WeakPolarHBondContact O-CA 3.49Å; N240-L243 PolarHBondContact O-N 3.4Å; N241-L243 VanDerWaalsContact C-N 3.3Å; N241-L243 PolarHBondContact O-N 3.09Å; L243-Y245 PolarHBondContact O-N 3.25Å
244G89.4Confident87.4Confident70 Ų70103.9 Ų103.972%0.72253%0.53SS*.  trans-73.664.9175.700000113.4N240N240-G244 PolarHBondContact O-N 3.1Å
245Y91Very high86.8Confident160 Ų160103.3 Ų103.363%0.62752%0.524SS*.  trans-139.5155.8173.969.2-90.1000111.6L243 R247L243-Y245 PolarHBondContact O-N 3.25Å; Y245-R247 HydrophobicContact CD2-CG 4.4Å; Y245-R247 HydrophobicContact CE2-CG 4.07Å
246V91.2Very high85.7Confident104 Ų104107.8 Ų107.863%0.6355%0.545SS*.  trans-117.6145.5170.7-78.20000109.4L251V246-L251 HydrophobicContact CG2-CD2 4.31Å; V246-L251 HydrophobicContact CG2-CG 4.47Å
247R90.1Very high84.7Confident137 Ų137103.9 Ų103.952%0.51753%0.533SS..  trans-90.9154.1179.2-51.9169.3-67.2179.32.7109.8Y245 Q249 D250 L251Y245-R247 HydrophobicContact CD2-CG 4.4Å; Y245-R247 HydrophobicContact CE2-CG 4.07Å; R247-Q249 PolarHBondContact O-N 2.78Å; R247-Q249 VanDerWaalsContact O-N 3.16Å; R247-D250 WeakPolarHBondContact CA-OD2 3.46Å; R247-D250 WeakPolarHBondContact CB-OD2 3.47Å; R247-D250 WeakPolarHBondContact CG-OD2 3.44Å; R247-D250 IonicContact CZ-OD1 2.93Å; R247-D250 VanDerWaalsContact CZ-OD1 3.31Å; R247-D250 IonicContact CZ-OD2 3.57Å; R247-D250 PolarHBondContact N-OD2 3.24Å; R247-D250 IonicContact NE-OD1 3.31Å; R247-D250 PolarHBondContact NE-OD1 3.43Å; R247-D250 VanDerWaalsContact NE-OD1 3.16Å; R247-D250 IonicContact NE-OD2 3.71Å; R247-D250 PolarHBondContact NE-OD2 2.94Å; R247-D250 IonicContact NH2-OD1 2.66Å; R247-D250 PolarHBondContact NH2-OD1 3.37Å; R247-D250 IonicContact NH2-OD2 2.79Å; R247-D250 WeakPolarHBondContact O-CB 3.49Å; R247-D250 PolarHBondContact O-N 3.46Å; R247-L251 PolarHBondContact O-N 3.29Å; R247-L251 VanDerWaalsContact O-N 3.14Å
248C85.6Confident83.6Confident59 Ų59104 Ų10440%0.39954%0.543SS..Hα-helixtrans-58.7-28.8174.7-57.30000112.9R252C248-R252 WeakPolarHBondContact O-CB 3.48Å; C248-R252 VanDerWaalsContact O-CG 3.26Å; C248-R252 WeakPolarHBondContact O-CG 3.41Å; C248-R252 PolarHBondContact O-N 2.74Å
249Q86.1Confident83Confident118 Ų118106.4 Ų106.455%0.55155%0.55SS**Hα-helixtrans-67.1-38.8173-174.1174.829.800112.4R247 R252 Q253R247-Q249 PolarHBondContact O-N 2.78Å; R247-Q249 VanDerWaalsContact O-N 3.16Å; Q249-R252 PolarHBondContact O-N 2.81Å; Q249-Q253 WeakPolarHBondContact O-CG 3.4Å; Q249-Q253 PolarHBondContact O-N 3.38Å
250D88.4Confident82.8Confident51 Ų51101.7 Ų101.727%0.27353%0.528SS..Hα-helixtrans-68.2-40.9179.7-49.2-40.2000109.8R247 Q253R247-D250 WeakPolarHBondContact CA-OD2 3.46Å; R247-D250 WeakPolarHBondContact CB-OD2 3.47Å; R247-D250 WeakPolarHBondContact CG-OD2 3.44Å; R247-D250 IonicContact CZ-OD1 2.93Å; R247-D250 VanDerWaalsContact CZ-OD1 3.31Å; R247-D250 IonicContact CZ-OD2 3.57Å; R247-D250 PolarHBondContact N-OD2 3.24Å; R247-D250 IonicContact NE-OD1 3.31Å; R247-D250 PolarHBondContact NE-OD1 3.43Å; R247-D250 VanDerWaalsContact NE-OD1 3.16Å; R247-D250 IonicContact NE-OD2 3.71Å; R247-D250 PolarHBondContact NE-OD2 2.94Å; R247-D250 IonicContact NH2-OD1 2.66Å; R247-D250 PolarHBondContact NH2-OD1 3.37Å; R247-D250 IonicContact NH2-OD2 2.79Å; R247-D250 WeakPolarHBondContact O-CB 3.49Å; R247-D250 PolarHBondContact O-N 3.46Å; D250-Q253 PolarHBondContact O-N 3.03Å
251L87.1Confident82.7Confident41 Ų41103.6 Ų103.622%0.21554%0.538CS..Hα-helixtrans-64.3-40.3173.2-64.9174.1000112.6V246 R247 Q253 S254 F255 V264V246-L251 HydrophobicContact CG2-CD2 4.31Å; V246-L251 HydrophobicContact CG2-CG 4.47Å; R247-L251 PolarHBondContact O-N 3.29Å; R247-L251 VanDerWaalsContact O-N 3.14Å; L251-Q253 PolarHBondContact O-N 3.3Å; L251-S254 PolarHBondContact O-N 2.87Å; L251-S254 PolarHBondContact O-OG 2.92Å; L251-F255 WeakPolarHBondContact O-CD2 3.15Å; L251-F255 WeakPolarHBondContact O-CE2 3.23Å; L251-V264 HydrophobicContact CD1-CG2 3.8Å
252R81.5Confident82.7Confident62 Ų6299.2 Ų99.223%0.23452%0.515CS..Hα-helixtrans-66.6-24.2177.5-78.4169.4169.7-85-31.6113.1C248 Q249 C298 P299 D301C248-R252 WeakPolarHBondContact O-CB 3.48Å; C248-R252 VanDerWaalsContact O-CG 3.26Å; C248-R252 WeakPolarHBondContact O-CG 3.41Å; C248-R252 PolarHBondContact O-N 2.74Å; Q249-R252 PolarHBondContact O-N 2.81Å; R252-C298 PolarHBondContact NH2-O 2.87Å; R252-P299 PolarHBondContact NE-O 3.19Å; R252-P299 VanDerWaalsContact NE-O 3.13Å; R252-P299 PolarHBondContact NH2-O 2.99Å; R252-P299 VanDerWaalsContact NH2-O 3.12Å; R252-D301 IonicContact CZ-OD2 2.9Å; R252-D301 IonicContact NE-OD2 3.2Å; R252-D301 IonicContact NH1-OD2 3.76Å; R252-D301 PolarHBondContact NH1-OD2 3.36Å
253Q82.1Confident82.8Confident144 Ų14493.8 Ų93.867%0.67350%0.5SS*.THydrogen-bonded Turntrans-79.8-14.6176.3-73.71752.900113.6Q249 D250 L251Q249-Q253 WeakPolarHBondContact O-CG 3.4Å; Q249-Q253 PolarHBondContact O-N 3.38Å; D250-Q253 PolarHBondContact O-N 3.03Å; L251-Q253 PolarHBondContact O-N 3.3Å
254S79Confident82.9Confident79 Ų7990.5 Ų90.555%0.55249%0.485SS*.THydrogen-bonded Turntrans-93.4-0.1178.959.10000114.8L251L251-S254 PolarHBondContact O-N 2.87Å; L251-S254 PolarHBondContact O-OG 2.92Å
255F78.9Confident83.1Confident76 Ų7690.5 Ų90.533%0.33347%0.471SS..  trans-121.8130.7178.2-58.3-69.6000110.2L251 S257 V262L251-F255 WeakPolarHBondContact O-CD2 3.15Å; L251-F255 WeakPolarHBondContact O-CE2 3.23Å; F255-S257 VanDerWaalsContact C-N 3.33Å; F255-S257 PolarHBondContact O-N 3.21Å; F255-V262 HydrophobicContact CD2-CG2 3.82Å; F255-V262 HydrophobicContact CE2-CG1 4.29Å; F255-V262 HydrophobicContact CE2-CG2 3.92Å
256D65.8Low83.3Confident179 Ų17990 Ų9096%0.95747%0.468SS*.SBendtrans-76.1-15.6-170.9-71.2-47.5000114.5
257S69Low83.5Confident55 Ų5587.1 Ų87.139%0.38546%0.455SS..  trans-108.3123-177.344.60000112.2F255 D259 Q260F255-S257 VanDerWaalsContact C-N 3.33Å; F255-S257 PolarHBondContact O-N 3.21Å; S257-D259 PolarHBondContact O-N 3.04Å; S257-Q260 PolarHBondContact O-N 3.45Å
258P67.8Low83.8Confident105 Ų10582 Ų8268%0.68244%0.439SS*.THydrogen-bonded Turntrans-70.2-18.7-178.729.5-35.8000113.6
259D73.8Confident84.1Confident146 Ų14683.5 Ų83.578%0.78145%0.448SS*.THydrogen-bonded Turntrans-95.18.4-176-55.9-31.2000112.8S257S257-D259 PolarHBondContact O-N 3.04Å
260Q80.9Confident84.5Confident49 Ų4985 Ų8523%0.22946%0.455CS..  trans-83.8127.3-179.7-166.9174.229.400112.5S26 S257 V262S26-Q260 PolarHBondContact OG-NE2 3.15Å; S257-Q260 PolarHBondContact O-N 3.45Å; Q260-V262 PolarHBondContact O-N 3.28Å
261L84.6Confident84.9Confident97 Ų9784.1 Ų84.151%0.50845%0.452SS..  trans-77.6101.4-179.9-168.170.3000112.1I35 L297I35-L261 HydrophobicContact CD1-CD2 4.24Å; L261-L297 HydrophobicContact CD1-CD1 3.7Å; L261-L297 HydrophobicContact CD1-CD2 4.14Å; L261-L297 HydrophobicContact CD1-CG 4.16Å; L261-L297 HydrophobicContact CD2-CD1 4.24Å; L261-L297 HydrophobicContact CG-CD1 3.84Å
262V87.3Confident85.2Confident21 Ų2188 Ų8813%0.12747%0.469CS..  trans-88116.5179.1-178.70000111.7F255 Q260 C298F255-V262 HydrophobicContact CD2-CG2 3.82Å; F255-V262 HydrophobicContact CE2-CG1 4.29Å; F255-V262 HydrophobicContact CE2-CG2 3.92Å; Q260-V262 PolarHBondContact O-N 3.28Å; V262-C298 HydrophobicContact CB-CB 4.08Å; V262-C298 HydrophobicContact CG1-CB 4.33Å; V262-C298 PolarHBondContact O-N 3.08Å
263M89.9Confident85.8Confident93 Ų9391 Ų9146%0.45849%0.487SS..EExtended strand (participates in β ladder)trans-104.7128.8170.7-65.4-169.7-64.800111I35 F296 L297I35-M263 HydrophobicContact CD1-CE 4.45Å; M263-F296 CarbonylContact C-O 3.57Å; M263-F296 WeakPolarHBondContact CA-O 3.42Å; M263-L297 HydrophobicContact CG-CD1 3.73Å
264V91.9Very high86.4Confident54 Ų5490.1 Ų90.133%0.32748%0.483SS..EExtended strand (participates in β ladder)trans-105.1117.1174.5-179.60000109.1L251 F296L251-V264 HydrophobicContact CD1-CG2 3.8Å; V264-F296 HydrophobicContact CB-CB 4.42Å; V264-F296 PolarHBondContact N-O 3.3Å; V264-F296 PolarHBondContact O-N 3.03Å
265V94Very high87Confident70 Ų7090.3 Ų90.342%0.42448%0.481SS..EExtended strand (participates in β ladder)trans-101.6123.8178.1-179.50000109.5L286 I293 V295V265-L286 HydrophobicContact CG1-CD1 3.76Å; V265-L286 HydrophobicContact CG2-CD1 4.31Å; V265-I293 HydrophobicContact CG1-CG2 3.78Å; V265-V295 HydrophobicContact CG2-CG1 4.35Å; V265-V295 HydrophobicContact CG2-CG2 4.3Å
266R93.7Very high87.6Confident150 Ų15089.4 Ų89.457%0.56648%0.482SS*.EExtended strand (participates in β ladder)trans-111.1110.5169.4-179.117972.4-175.14.9109D294 F296R266-D294 HydrophobicContact CB-CB 4.34Å; R266-D294 IonicContact CZ-OD2 2.68Å; R266-D294 PolarHBondContact N-O 3.1Å; R266-D294 IonicContact NE-OD2 3.16Å; R266-D294 PolarHBondContact NE-OD2 2.93Å; R266-D294 IonicContact NH2-OD2 3.31Å; R266-D294 PolarHBondContact NH2-OD2 2.91Å; R266-D294 PolarHBondContact O-N 2.78Å; R266-F296 HydrophobicContact CB-CE2 4.35Å
267A95.5Very high88.5Confident44 Ų4487.3 Ų87.336%0.36447%0.466SS..  trans-119151.917900000111T271 I293A267-T271 HydrophobicContact CB-CG2 3.81Å; A267-I293 HydrophobicContact CB-CG1 4.13Å; A267-I293 HydrophobicContact CB-CG2 4.15Å
268P95.9Very high89Confident29 Ų2987.1 Ų87.119%0.18846%0.464CS..  trans-69.9164172.531-35.8000111.3T271 S288 Q290 P292P268-T271 WeakPolarHBondContact CD-OG1 3.5Å; P268-T271 WeakPolarHBondContact O-CB 3.42Å; P268-T271 PolarHBondContact O-N 3.04Å; P268-T271 PolarHBondContact O-OG1 3.31Å; P268-S288 WeakPolarHBondContact CG-OG 3.4Å; P268-Q290 HydrophobicContact CB-CB 4.23Å; P268-Q290 HydrophobicContact CG-CB 4.36Å; P268-P292 WeakPolarHBondContact CD-O 3.31Å
269P93.4Very high89.5Confident91 Ų9188.7 Ų88.759%0.59148%0.477SS*.THydrogen-bonded Turntrans-52.6154.5173.7-25.835.5000113T271P269-T271 PolarHBondContact O-N 3.18Å
270E94Very high89.7Confident148 Ų14890.6 Ų90.669%0.69248%0.481SS*.THydrogen-bonded Turntrans6018.4-176.3-46-52.9131.900115.3Q272 Q290E270-Q272 PolarHBondContact O-N 3.3Å; E270-Q290 VanDerWaalsContact CG-NE2 3.26Å
271T95.8Very high89.8Confident34 Ų3489.3 Ų89.321%0.20948%0.481CS..  trans-69.9125.8170.6-64.50000110.3A267 P268 P269 I293A267-T271 HydrophobicContact CB-CG2 3.81Å; P268-T271 WeakPolarHBondContact CD-OG1 3.5Å; P268-T271 WeakPolarHBondContact O-CB 3.42Å; P268-T271 PolarHBondContact O-N 3.04Å; P268-T271 PolarHBondContact O-OG1 3.31Å; P269-T271 PolarHBondContact O-N 3.18Å; T271-I293 HydrophobicContact CG2-CD1 4Å; T271-I293 HydrophobicContact CG2-CG1 4.47Å
272Q95.1Very high90Very high122 Ų12290 Ų9057%0.5748%0.477SS*.EExtended strand (participates in β ladder)trans-83.6128.2176.9-63.6177.4-13.300109.8E270 L286 R287E270-Q272 PolarHBondContact O-N 3.3Å; Q272-L286 WeakPolarHBondContact O-CA 3.33Å; Q272-R287 HydrophobicContact CB-CB 4.43Å; Q272-R287 PolarHBondContact N-O 3.42Å; Q272-R287 PolarHBondContact O-N 3.4Å
273M93.9Very high90.1Very high126 Ų12693.8 Ų93.862%0.62149%0.494SS*.EExtended strand (participates in β ladder)trans-111.3129.6170.6177.4170.5165.800109V275 V284 S285 L286M273-V275 HydrophobicContact CE-CG2 3.7Å; M273-V284 HydrophobicContact CE-CG1 3.95Å; M273-V284 HydrophobicContact CG-CG1 4.29Å; M273-S285 WeakPolarHBondContact CA-O 3.45Å; M273-L286 HydrophobicContact CB-CD2 3.75Å; M273-L286 HydrophobicContact CG-CD2 3.74Å; M273-L286 HydrophobicContact SD-CD2 4.17Å
274Q93.3Very high90.2Very high125 Ų12593 Ų9358%0.58450%0.495SS*.EExtended strand (participates in β ladder)trans-126.6126.9173.8-177.5175.620.700108.8S285Q274-S285 PolarHBondContact N-O 3.39Å; Q274-S285 PolarHBondContact O-N 3.16Å
275V93.2Very high90.2Very high83 Ų8393 Ų9350%0.50350%0.497SS..EExtended strand (participates in β ladder)trans-104.3130.1170.3-173.20000107.6M273 V284M273-V275 HydrophobicContact CE-CG2 3.7Å; V275-V284 HydrophobicContact CG2-CG2 4.3Å
276T90.8Very high90.3Very high57 Ų5792.5 Ų92.535%0.3549%0.492SS..EExtended strand (participates in β ladder)trans-122.1138.3175-48.50000108P278 Q283T276-P278 WeakPolarHBondContact O-CD 3.38Å; T276-Q283 PolarHBondContact N-O 3.47Å; T276-Q283 PolarHBondContact O-N 3.31Å
277E84.4Confident90.3Very high134 Ų13493 Ų9363%0.62649%0.493SS*.  trans-107.378.6170.4-174174.4-155.200108.9Y282E277-Y282 HydrophobicContact CB-CD1 3.92Å; E277-Y282 HydrophobicContact CB-CE1 3.82Å; E277-Y282 HydrophobicContact CG-CD1 3.88Å; E277-Y282 HydrophobicContact CG-CE1 3.46Å; E277-Y282 VanDerWaalsContact CG-CE1 3.46Å; E277-Y282 VanDerWaalsContact OE1-CE1 3.24Å; E277-Y282 WeakPolarHBondContact OE1-CE1 3.43Å; E277-Y282 PolarHBondContact OE1-OH 3Å
278P80.6Confident90.3Very high52 Ų5292.3 Ų92.334%0.33849%0.486SS..  trans-68.9159.4167.932.8-35000109.6T276 E280 G281T276-P278 WeakPolarHBondContact O-CD 3.38Å; P278-E280 PolarHBondContact O-N 3.29Å; P278-G281 WeakPolarHBondContact CD-O 3.4Å; P278-G281 WeakPolarHBondContact CG-O 3.33Å; P278-G281 PolarHBondContact O-N 3.22Å
279S77.9Confident90.2Very high137 Ų13796.3 Ų96.396%0.95851%0.51SS*.THydrogen-bonded Turntrans-57.3-6.1179.8-36.70000115.8
280E78.1Confident90.1Very high187 Ų18797.6 Ų97.687%0.87451%0.508SS*.THydrogen-bonded Turntrans-112.96.6-175.6-60.3-179.6171.300112.5P278P278-E280 PolarHBondContact O-N 3.29Å
281G82.6Confident90.1Very high22 Ų2292.2 Ų92.223%0.22749%0.492CS..  trans116.1157.7174.100000114.5P278 Q283P278-G281 WeakPolarHBondContact CD-O 3.4Å; P278-G281 WeakPolarHBondContact CG-O 3.33Å; P278-G281 PolarHBondContact O-N 3.22Å; G281-Q283 PolarHBondContact O-N 2.77Å
282Y88.8Confident90.1Very high110 Ų11095.6 Ų95.643%0.43152%0.515SS..  trans-58134.4-172.3-61.8-75.6000114.2I27 E277I27-Y282 HydrophobicContact CG2-CD2 3.8Å; I27-Y282 HydrophobicContact CG2-CE2 4.13Å; E277-Y282 HydrophobicContact CB-CD1 3.92Å; E277-Y282 HydrophobicContact CB-CE1 3.82Å; E277-Y282 HydrophobicContact CG-CD1 3.88Å; E277-Y282 HydrophobicContact CG-CE1 3.46Å; E277-Y282 VanDerWaalsContact CG-CE1 3.46Å; E277-Y282 VanDerWaalsContact OE1-CE1 3.24Å; E277-Y282 WeakPolarHBondContact OE1-CE1 3.43Å; E277-Y282 PolarHBondContact OE1-OH 3Å
283Q89.6Confident90.1Very high101 Ų10192.1 Ų92.147%0.47250%0.5SS..EExtended strand (participates in β ladder)trans-121.4123.8174.6-173.5-178.310.800110.9T276 G281T276-Q283 PolarHBondContact N-O 3.47Å; T276-Q283 PolarHBondContact O-N 3.31Å; G281-Q283 PolarHBondContact O-N 2.77Å
284V91.7Very high90.2Very high78 Ų7888.9 Ų88.947%0.47349%0.485SS..EExtended strand (participates in β ladder)trans-102.3124.9171.3-174.90000109.7M273 V275 L286M273-V284 HydrophobicContact CE-CG1 3.95Å; M273-V284 HydrophobicContact CG-CG1 4.29Å; V275-V284 HydrophobicContact CG2-CG2 4.3Å; V284-L286 HydrophobicContact CG1-CD2 4.47Å; V284-L286 HydrophobicContact CG1-CG 4.41Å
285S92.5Very high90.2Very high54 Ų5485.9 Ų85.938%0.37848%0.475SS..EExtended strand (participates in β ladder)trans-114.3129.2177-176.50000109.9M273 Q274M273-S285 WeakPolarHBondContact CA-O 3.45Å; Q274-S285 PolarHBondContact N-O 3.39Å; Q274-S285 PolarHBondContact O-N 3.16Å
286L94.9Very high90.1Very high59 Ų5986.8 Ų86.831%0.30947%0.472SS..EExtended strand (participates in β ladder)trans-121.5127.2-179.2-63.2169.6000109.9V265 Q272 M273 V284 I293V265-L286 HydrophobicContact CG1-CD1 3.76Å; V265-L286 HydrophobicContact CG2-CD1 4.31Å; Q272-L286 WeakPolarHBondContact O-CA 3.33Å; M273-L286 HydrophobicContact CB-CD2 3.75Å; M273-L286 HydrophobicContact CG-CD2 3.74Å; M273-L286 HydrophobicContact SD-CD2 4.17Å; V284-L286 HydrophobicContact CG1-CD2 4.47Å; V284-L286 HydrophobicContact CG1-CG 4.41Å; L286-I293 HydrophobicContact CB-CD1 3.91Å; L286-I293 HydrophobicContact CD1-CG2 4.46Å
287R94.1Very high90.1Very high160 Ų16089.1 Ų89.160%0.60448%0.482SS*.EExtended strand (participates in β ladder)trans-132.9109.3-176.7-173.9-177.3-178.5-140.41.9111.4Q272Q272-R287 HydrophobicContact CB-CB 4.43Å; Q272-R287 PolarHBondContact N-O 3.42Å; Q272-R287 PolarHBondContact O-N 3.4Å
288S95.4Very high90.2Very high30 Ų3083.1 Ų83.121%0.2146%0.455CS..  trans-100.7146.3173.4166.10000111.1P268 Q290 G291P268-S288 WeakPolarHBondContact CG-OG 3.4Å; S288-Q290 PolarHBondContact OG-N 3.42Å; S288-G291 VanDerWaalsContact CB-O 3.31Å; S288-G291 WeakPolarHBondContact CB-O 3.42Å; S288-G291 PolarHBondContact OG-N 2.87Å; S288-G291 PolarHBondContact OG-O 3.21Å
289T93.3Very high90.1Very high113 Ų11384.2 Ų84.269%0.69346%0.462SS*.SBendtrans-113.1-10.2167.555.20000113
290Q92.3Very high89.8Confident118 Ų11882 Ų8255%0.55144%0.437SS*.SBendtrans-108.80.5-170.7-58-162.923.400114.3P268 E270 S288P268-Q290 HydrophobicContact CB-CB 4.23Å; P268-Q290 HydrophobicContact CG-CB 4.36Å; E270-Q290 VanDerWaalsContact CG-NE2 3.26Å; S288-Q290 PolarHBondContact OG-N 3.42Å
291G93.2Very high88.9Confident34 Ų3480.2 Ų80.235%0.35143%0.433SS..SBendtrans161.6177.4179.200000113.8S288S288-G291 VanDerWaalsContact CB-O 3.31Å; S288-G291 WeakPolarHBondContact CB-O 3.42Å; S288-G291 PolarHBondContact OG-N 2.87Å; S288-G291 PolarHBondContact OG-O 3.21Å
292P95.8Very high87.6Confident106 Ų10683.5 Ų83.569%0.68845%0.452SS*.  trans-65.1157.8172.530.6-35.5000111.3P268P268-P292 WeakPolarHBondContact CD-O 3.31Å
293I96.3Very high85.6Confident49 Ų4981.4 Ų81.425%0.25145%0.454SS..  trans-108.5126.1171.9-61.1160.7000106.8V265 A267 T271 L286 V295V265-I293 HydrophobicContact CG1-CG2 3.78Å; A267-I293 HydrophobicContact CB-CG1 4.13Å; A267-I293 HydrophobicContact CB-CG2 4.15Å; T271-I293 HydrophobicContact CG2-CD1 4Å; T271-I293 HydrophobicContact CG2-CG1 4.47Å; L286-I293 HydrophobicContact CB-CD1 3.91Å; L286-I293 HydrophobicContact CD1-CG2 4.46Å; I293-V295 HydrophobicContact CG2-CG2 4.32Å
294D95.1Very high83.6Confident57 Ų5780.8 Ų80.831%0.30548%0.475SS..EExtended strand (participates in β ladder)trans-96.8136175.5-52.7-64.7000109.7R266 F296R266-D294 HydrophobicContact CB-CB 4.34Å; R266-D294 IonicContact CZ-OD2 2.68Å; R266-D294 PolarHBondContact N-O 3.1Å; R266-D294 IonicContact NE-OD2 3.16Å; R266-D294 PolarHBondContact NE-OD2 2.93Å; R266-D294 IonicContact NH2-OD2 3.31Å; R266-D294 PolarHBondContact NH2-OD2 2.91Å; R266-D294 PolarHBondContact O-N 2.78Å; D294-F296 HydrophobicContact CB-CE2 3.59Å; D294-F296 HydrophobicContact CB-CZ 3.65Å
295V94.4Very high81.4Confident63 Ų6382.9 Ų82.938%0.38249%0.487SS..EExtended strand (participates in β ladder)trans-126.9127.9177-174.80000108.8V265 I293V265-V295 HydrophobicContact CG2-CG1 4.35Å; V265-V295 HydrophobicContact CG2-CG2 4.3Å; I293-V295 HydrophobicContact CG2-CG2 4.32Å
296F90.8Very high78.7Confident101 Ų10185.9 Ų85.944%0.44351%0.507SS..EExtended strand (participates in β ladder)trans-120.6141.8-178.3-52.7-83000110.2M263 V264 R266 D294M263-F296 CarbonylContact C-O 3.57Å; M263-F296 WeakPolarHBondContact CA-O 3.42Å; V264-F296 HydrophobicContact CB-CB 4.42Å; V264-F296 PolarHBondContact N-O 3.3Å; V264-F296 PolarHBondContact O-N 3.03Å; R266-F296 HydrophobicContact CB-CE2 4.35Å; D294-F296 HydrophobicContact CB-CE2 3.59Å; D294-F296 HydrophobicContact CB-CZ 3.65Å
297L90.6Very high76.1Confident106 Ų10687.6 Ų87.656%0.55552%0.524SS*.EExtended strand (participates in β ladder)trans-101.1128.2173.2-159.368.4000108.8L261 M263 P299L261-L297 HydrophobicContact CD1-CD1 3.7Å; L261-L297 HydrophobicContact CD1-CD2 4.14Å; L261-L297 HydrophobicContact CD1-CG 4.16Å; L261-L297 HydrophobicContact CD2-CD1 4.24Å; L261-L297 HydrophobicContact CG-CD1 3.84Å; M263-L297 HydrophobicContact CG-CD1 3.73Å; L297-P299 WeakPolarHBondContact O-CD 3.43Å
298C85.6Confident74Confident9 Ų986 Ų866%0.06153%0.534CS..  trans-74.5112.3176.9-75.80000110.1R252 V262R252-C298 PolarHBondContact NH2-O 2.87Å; V262-C298 HydrophobicContact CB-CB 4.08Å; V262-C298 HydrophobicContact CG1-CB 4.33Å; V262-C298 PolarHBondContact O-N 3.08Å
299P78.3Confident71.4Confident74 Ų7490.8 Ų90.848%0.48156%0.562SS.*  trans-63.7138.7-170.827.5-35.7000111.5R252 L297R252-P299 PolarHBondContact NE-O 3.19Å; R252-P299 VanDerWaalsContact NE-O 3.13Å; R252-P299 PolarHBondContact NH2-O 2.99Å; R252-P299 VanDerWaalsContact NH2-O 3.12Å; L297-P299 WeakPolarHBondContact O-CD 3.43Å
300E72.4Confident68.8Low92 Ų9294.2 Ų94.243%0.4357%0.572SS.*  trans-72.4136.5172.9-72.7175.6-163.200112.2S302 S303E300-S302 VanDerWaalsContact CB-OG 3.3Å; E300-S302 WeakPolarHBondContact CB-OG 3.27Å; E300-S302 PolarHBondContact O-N 3.48Å; E300-S302 PolarHBondContact OE2-OG 3.13Å; E300-S303 PolarHBondContact O-N 3.01Å
301D60.4Low66.2Low148 Ų14892.4 Ų92.479%0.79159%0.585SS**THydrogen-bonded Turntrans-61.2-4.7173.8-55.9-81.9000113.6R252R252-D301 IonicContact CZ-OD2 2.9Å; R252-D301 IonicContact NE-OD2 3.2Å; R252-D301 IonicContact NH1-OD2 3.76Å; R252-D301 PolarHBondContact NH1-OD2 3.36Å
302S54.4Low63.2Low91 Ų9194.4 Ų94.464%0.63661%0.605SS**THydrogen-bonded Turntrans-82-24.5177.968.40000114.3E300E300-S302 VanDerWaalsContact CB-OG 3.3Å; E300-S302 WeakPolarHBondContact CB-OG 3.27Å; E300-S302 PolarHBondContact O-N 3.48Å; E300-S302 PolarHBondContact OE2-OG 3.13Å
303S47.7Very low60.2Low67 Ų6794.7 Ų94.747%0.46961%0.61SS.*  trans-122.396-165.367.10000114.4E300 V305E300-S303 PolarHBondContact O-N 3.01Å; S303-V305 PolarHBondContact O-N 3.41Å
304G46.4Very low57.2Low88 Ų8899 Ų9991%0.90764%0.641SS**  trans-71.237173.700000115.3
305V44.8Very low54.2Low122 Ų122101.8 Ų101.874%0.73967%0.665SS**  trans-135.575.3-174.3-169.30000111.4S303S303-V305 PolarHBondContact O-N 3.41Å
306C37.2Very low51.1Low117 Ų117107.9 Ų107.979%0.79169%0.69SS**  trans-96.1102.9162.4-64.60000109.9
307S38.8Very low48.2Very low94 Ų94108.4 Ų108.466%0.65771%0.706SS**  trans-144.8110.7166.7-1700000109.8V309S307-V309 PolarHBondContact O-N 3.21Å; S307-V309 VanDerWaalsContact O-N 3.17Å
308P51.3Low45.1Very low126 Ų126110.6 Ų110.682%0.81872%0.718SS**  trans-77.4102.9179.630.2-32.1000110.1M310P308-M310 PolarHBondContact O-N 2.77Å; P308-M310 VanDerWaalsContact O-N 3.12Å
309V39.7Very low42.4Very low132 Ų132114.7 Ų114.780%0.875%0.747SS**  trans-75.398.3165.3172.20000108.4S307S307-V309 PolarHBondContact O-N 3.21Å; S307-V309 VanDerWaalsContact O-N 3.17Å
310M40.4Very low40.1Very low185 Ų185119.5 Ų119.591%0.91176%0.763SS**  trans-70135.6164.5-155.3174.4-150.500108.9P308P308-M310 PolarHBondContact O-N 2.77Å; P308-M310 VanDerWaalsContact O-N 3.12Å
311G36.1Very low37.9Very low79 Ų79123.7 Ų123.781%0.81478%0.782SS**  trans-65.5143.8-162.100000116
312G30.9Very low36.2Very low76 Ų76127.9 Ų127.978%0.78479%0.787SS**  trans-134.6123.8163.700000109.9
313S31.7Very low35.4Very low113 Ų113128.7 Ų128.779%0.7979%0.79SS**  trans-63.1150.5-175.9-540000113.2S315S313-S315 PolarHBondContact O-N 2.94Å; S313-S315 VanDerWaalsContact O-N 3.17Å
314P34.2Very low34.5Very low139 Ų139132.7 Ų132.790%0.90381%0.811SS**  trans-73.7110-178.929.7-34000111.4
315S31.5Very low33.6Very low115 Ų115133.6 Ų133.680%0.80480%0.804SS**  trans-104158.2164.558.40000110.9S313S313-S315 PolarHBondContact O-N 2.94Å; S313-S315 VanDerWaalsContact O-N 3.17Å
316Q30.4Very low33.2Very low192 Ų192133.4 Ų133.490%0.89781%0.805SS**  trans-70.5145.8-155.7-70.3167-24.900115.5
317S28.6Very low32.7Very low112 Ų112136.6 Ų136.678%0.78381%0.808SS**  trans-27.1134.1164.453.90000118.1
318N26.7Very low32Very low152 Ų152137.3 Ų137.381%0.81381%0.812SS**  -159146.3128.3-134.7-5.8000113.8
319S29.2Very low30.8Very low95 Ų95138.7 Ų138.766%0.66481%0.812SS**  trans60.4115.4164.6-46.10000118.6
320Q29.8Very low30.4Very low175 Ų175139.4 Ų139.482%0.81881%0.811SS**  51.1122.278-76-176.9-40.500112.8
321E26.6Very low29.8Very low179 Ų179140.1 Ų140.184%0.83681%0.809SS**  cis-155173.128.9-106.6161.1-16900114
322R24.1Very low29.4Very low237 Ų237142.8 Ų142.889%0.89481%0.81SS**  trans-128.2174.3168.9-113.3-163.3179.9-175.21.7107.2
323P38.4Very low29.3Very low107 Ų107147.6 Ų147.670%0.69582%0.817SS**  cis-135153.8-43.736.6-20.5000113
324V27.1Very low29.1Very low152 Ų152145.9 Ų145.992%0.92181%0.809SS**  trans-148.3132.5159.3-154.10000112.5
325S28.6Very low28.8Very low106 Ų106144.1 Ų144.174%0.74180%0.8SS**  trans-75.7165.1169.8-46.50000111.8
326P36.5Very low28.5Very low119 Ų119148.3 Ų148.377%0.77380%0.804SS**  -148.914495.936.3-19.1000117.2
327Q26.4Very low28.4Very low184 Ų184144.7 Ų144.786%0.8680%0.795SS**  trans34.3118.5135.2-58.4-178.1-2.600122
328C23.6Very low28.4Very low108 Ų108146 Ų14673%0.7380%0.798SS**  66.1123.2123-161.20000121
329L27.3Very low28.2Very low156 Ų156141.8 Ų141.882%0.81779%0.79SS**  trans-163.3109.5130.7-112.5156.7000112.5
330N29.8Very low28.1Very low147 Ų147143.5 Ų143.579%0.78680%0.801SS**  trans-68.7134.8166.2-72.9-17.8000110.4
331K28.6Very low28.2Very low199 Ų199141 Ų14187%0.86580%0.797SS**  trans-140.2112.2155.3-79.8-167177.3177.10111.7
332T28.2Very low28.3Very low135 Ų135138.6 Ų138.683%0.82880%0.797SS**  trans-98.2127.2163.4-53.50000108.6
333L28.4Very low28.6Very low178 Ų178131.3 Ų131.393%0.93279%0.788SS**  trans-158.1162140.6-139.2124.3000111.1
334A27.5Very low28.7Very low76 Ų76131.5 Ų131.563%0.62879%0.789SS**  trans-106.4168.2-155.200000115.9
335S27.3Very low28.9Very low103 Ų103131.8 Ų131.872%0.7279%0.785SS**  trans60111.5139.9-166.70000120.9
336F26.3Very low28.8Very low202 Ų202134.3 Ų134.389%0.88679%0.789SS**  trans-165151.5153.4-73.1-63.4000109.5
337V27Very low28.3Very low116 Ų116133.6 Ų133.670%0.70379%0.787SS**  cis-164.7135-34.8101.50000109.4
338V28.2Very low28.3Very low139 Ų139132.3 Ų132.384%0.84279%0.785SS**  trans63.2143.9164.5177.40000117.2
339G24.2Very low28.4Very low64 Ų64131.7 Ų131.766%0.6678%0.782SS**  cis129.5117.10.900000112
340C26.2Very low28.3Very low131 Ų131129.4 Ų129.489%0.88578%0.779SS**  trans-161.4134162.9-126.60000115.2
341V31.3Very low28.4Very low122 Ų122128.9 Ų128.974%0.73978%0.781SS**  trans-33.4150.9175.7-152.10000119.1A343V341-A343 HydrophobicContact CG1-CB 4.28Å
342P29.8Very low28.5Very low129 Ų129127.7 Ų127.784%0.83878%0.779SS**  trans-123.1136.5137.636.5-27.6000113.1
343A30.8Very low28.4Very low84 Ų84125.4 Ų125.469%0.69477%0.769SS**  trans-158.8165.417400000109.7V341V341-A343 HydrophobicContact CG1-CB 4.28Å
344P40.4Very low28.5Very low111 Ų111124.6 Ų124.672%0.72176%0.764SS**  -138.4167.4-83.238.1-20.7000116.3
345L31.1Very low28.8Very low158 Ų158129.1 Ų129.183%0.82778%0.777SS**  trans68.6172.5145.7-95.3165000122.2
346L26.3Very low28.7Very low159 Ų159128.3 Ų128.383%0.83279%0.785SS**  trans85.4116.8179.1-48.2-179000114.9
347S24.7Very low28.8Very low105 Ų105122.2 Ų122.273%0.73478%0.779SS**  cis89.7139.219.3-160.20000117.2
348L27.3Very low28.9Very low156 Ų156123.8 Ų123.882%0.81778%0.784SS**  trans75.7143.6175.7-132.461.5000115.2
349S24.7Very low29.4Very low96 Ų96125 Ų12567%0.67178%0.784SS**  cis-155.1140.38.5-6.30000108.7
350S26.7Very low30Very low108 Ų108131.7 Ų131.776%0.75580%0.796SS**  75.5102.485.4-49.80000117.7
351T31.2Very low30.4Very low135 Ų135130.8 Ų130.883%0.82879%0.791SS**  trans-179.1114.9138.940.20000106.9
352E29.9Very low30.6Very low174 Ų174130.2 Ų130.281%0.81379%0.792SS**  53.3128.573-65.7-80.3113.900112.6
353S27.3Very low30.9Very low88 Ų88132.4 Ų132.462%0.61580%0.796SS**  cis-171.1178.52.149.20000110.9
354L29.7Very low30.8Very low161 Ų161131.9 Ų131.984%0.84380%0.799SS**  trans77.3122.3179.1-54161.9000115
355L33.5Very low30.3Very low171 Ų171133.9 Ų133.990%0.89580%0.804SS**  cis-126.7149.322.4-65.6163.4000112
356G26.1Very low30.3Very low86 Ų86134.7 Ų134.789%0.88781%0.807SS**  trans-101161-177.500000115
357G28.7Very low30.6Very low74 Ų74131.5 Ų131.576%0.76380%0.798SS**  trans162.375.4176.100000112.9
358D29.8Very low31.1Very low149 Ų149135.3 Ų135.380%0.79780%0.804SS**  trans-70139.9179.9-74.3-55.2000113.5
359L37.7Very low31.3Very low163 Ų163137.5 Ų137.585%0.85381%0.807SS**  trans-129.41.1169.2-87.6171.4000114.3
360F36.4Very low31.7Very low205 Ų205140 Ų14090%0.89981%0.813SS**  trans-112.729.2-170.7-85-79.5000115.4S362F360-S362 VanDerWaalsContact C-N 3.3Å; F360-S362 PolarHBondContact O-N 2.63Å
361S34Very low31.9Very low113 Ų113142.8 Ų142.879%0.7982%0.818SS**THydrogen-bonded Turntrans-83.710.6178.2-480000115.3
362S35.4Very low32Very low109 Ų109140.8 Ų140.876%0.76281%0.81SS**THydrogen-bonded Turntrans-114.33.7-167.5-1640000116.7F360F360-S362 VanDerWaalsContact C-N 3.3Å; F360-S362 PolarHBondContact O-N 2.63Å
363L36.5Very low32.2Very low175 Ų175138.7 Ų138.792%0.91681%0.811SS**  trans-142.155.9177.5-146.272.9000113.3
364G29.1Very low32.6Very low73 Ų73142.8 Ų142.875%0.75383%0.825SS**  trans-92.1139.5158.600000110.7
365D30.2Very low32.6Very low154 Ų154140.6 Ų140.682%0.82482%0.823SS**  trans83.484.2160.6-151.226.6000119.1
366I32.1Very low32.8Very low175 Ų175137.9 Ų137.990%0.89782%0.819SS**  -138.6133.9124.145.2171.5000109.6
367S31.9Very low33.4Very low92 Ų92138.9 Ų138.964%0.64381%0.812SS**  trans-85.6147.5-17457.90000114
368H35.9Very low33.8Very low184 Ų184143.3 Ų143.385%0.85282%0.818SS**  trans33.8104.7150.5-91.2-89.6000118
369F30.4Very low34.2Very low202 Ų202144.3 Ų144.389%0.88682%0.823SS**  trans-131.7132.8148-94.5-83000111.4
370D32.6Very low34.4Very low149 Ų149145.1 Ų145.180%0.79783%0.827SS**  trans-89.8133.7-176.6-164.43.5000109.1
371L30.6Very low34.3Very low167 Ų167143.6 Ų143.687%0.87483%0.828SS**  trans-101.796.5-174.6-70.2179.8000111
372S34.1Very low34.2Very low92 Ų92141.6 Ų141.664%0.64383%0.826SS**  trans-115.7142.7158.8-71.50000109.4
373P35Very low34.1Very low130 Ų130145.6 Ų145.684%0.84483%0.833SS**PPolyproline II helixtrans-75.4129-171.530.2-34.4000111.2
374L34.2Very low33.9Very low174 Ų174141 Ų14191%0.91183%0.827SS**PPolyproline II helixtrans-101.5137.8174.3-69-178.1000111.9
375S31Very low34.1Very low115 Ų115145.5 Ų145.580%0.80483%0.833SS**PPolyproline II helixtrans-74.4145.6-173.3-173.70000113S377S375-S377 PolarHBondContact O-N 3.13Å
376S37.5Very low34.7Very low115 Ų115143.5 Ų143.580%0.80483%0.828SS**SBendtrans-70.889.7177.7-54.20000112.6
377S38.1Very low34.9Very low107 Ų107143 Ų14375%0.74883%0.826SS**  trans-174.180.9160.7-79.90000112.2S375S375-S377 PolarHBondContact O-N 3.13Å
378D36.5Very low35.1Very low166 Ų166144 Ų14489%0.88883%0.831SS**  trans-167.738.9165.1-111.4-16.6000116.8
379L39.2Very low35.3Very low171 Ų171142.6 Ų142.690%0.89583%0.829SS**  trans-132.444177.6-76.6-179.3000115.1
380L41.2Very low35.9Very low180 Ų180140.7 Ų140.794%0.94283%0.828SS**  trans-141.280.5168.9-72.9178.7000112.9
381N35Very low36.4Very low172 Ų172138.6 Ų138.692%0.9283%0.825SS**  trans-157.7110.3153.6-156.634.1000111.3
382G31.9Very low37Very low72 Ų72139.6 Ų139.674%0.74282%0.823SS**  trans168.250.3-175.300000117.9
383E34.1Very low37.8Very low193 Ų193141.6 Ų141.690%0.90283%0.825SS**  trans16.4112.5153.5-65.4-72.2105.900119.5
384G31.7Very low38.2Very low77 Ų77141.9 Ų141.979%0.79482%0.819SS**  trans168.956.4171.100000117.3
385L33.4Very low38.6Very low169 Ų169141.4 Ų141.489%0.88582%0.817SS**  trans-71.4175.3-179.2-52.2175.3000113.3
386P41.4Very low39.2Very low111 Ų111139.8 Ų139.872%0.72181%0.805SS**  cis-139.9138.6-0.535.5-15.4000116.8
387L36.2Very low39.4Very low164 Ų164139.2 Ų139.286%0.85980%0.799SS**SBendtrans-155.1152.6145.1-86.2-165.2000109.5
388P37.2Very low39.6Very low113 Ų113139 Ų13973%0.73480%0.795SS**  trans-76.1132-158.227.9-34.9000114.7D390P388-D390 PolarHBondContact O-N 3.27Å; P388-D390 VanDerWaalsContact O-N 3.15Å
389L40.8Very low40.1Very low156 Ų156141.8 Ų141.882%0.81780%0.795SS**  trans-72.794.4160.9-78.286.2000109.1
390D43.2Very low40.5Very low161 Ų161143.8 Ų143.886%0.86179%0.79SS**  trans-158.734.3165.5-105.6-23000112.2P388P388-D390 PolarHBondContact O-N 3.27Å; P388-D390 VanDerWaalsContact O-N 3.15Å
391S43.1Very low40.5Very low105 Ų105142.9 Ų142.973%0.73478%0.781SS**  trans-150.456.7177.4-144.60000114.1
392F42Very low40.7Very low189 Ų189142 Ų14283%0.82978%0.776SS**  trans-85.3110150.9-75.3-75.8000107.7N394F392-N394 PolarHBondContact O-N 2.94Å; F392-N394 VanDerWaalsContact O-N 3.15Å
393I50.8Low41.5Very low134 Ų134146.4 Ų146.469%0.68777%0.772SS**  trans-68.4110.4179.1-59.3171.6000108L395I393-L395 HydrophobicContact CG2-CD2 3.91Å; I393-L395 HydrophobicContact CG2-CG 4.49Å; I393-L395 PolarHBondContact O-N 3.48Å
394N44.7Very low42.2Very low136 Ų136145.9 Ų145.973%0.72777%0.768SS**  trans-71115.8168-80.3-83.9000108.2F392 S396F392-N394 PolarHBondContact O-N 2.94Å; F392-N394 VanDerWaalsContact O-N 3.15Å; N394-S396 PolarHBondContact O-N 3.48Å
395L41.8Very low43.2Very low164 Ų164150.5 Ų150.586%0.85977%0.767SS**  trans-85.624.3177.4-65.2174.9000112.9I393I393-L395 HydrophobicContact CG2-CD2 3.91Å; I393-L395 HydrophobicContact CG2-CG 4.49Å; I393-L395 PolarHBondContact O-N 3.48Å
396S44.3Very low44Very low80 Ų80145.2 Ų145.256%0.55975%0.754SS**SBendtrans-104.2128.5171.748.20000110N394N394-S396 PolarHBondContact O-N 3.48Å
397P40.9Very low44.7Very low103 Ų103145.5 Ų145.567%0.66975%0.749SS**PPolyproline II helixtrans-61.7138.1176.8-22.833.3000111.5Y399P397-Y399 PolarHBondContact O-N 2.86Å
398P43.1Very low45.8Very low103 Ų103143.8 Ų143.867%0.66974%0.736SS**PPolyproline II helixtrans-66.5123.117427.2-32.7000110.1R400P398-R400 PolarHBondContact O-N 3.17Å
399Y46.1Very low46.8Very low225 Ų225147.2 Ų147.288%0.88275%0.748SS**SBendtrans-60.7130.7176.8-107-98.5000111.3P397P397-Y399 PolarHBondContact O-N 2.86Å
400R48.2Very low47.5Very low212 Ų212146.8 Ų146.880%0.874%0.742SS**  trans79.696.3-177.4-55.1-179.3158.993.92.8115.1P398P398-R400 PolarHBondContact O-N 3.17Å
401H40Very low48.5Very low161 Ų161143 Ų14375%0.74572%0.719SS**  -156.9161.587.6-77.4-21.4000109.3Y403H401-Y403 WeakPolarHBondContact O-CD2 3.31Å; H401-Y403 PolarHBondContact O-N 2.79Å
402D40.3Very low49.6Very low153 Ų153139.8 Ų139.882%0.81870%0.702SS**  trans-69.1112.3-176.4-61-55.4000110.9H404D402-H404 VanDerWaalsContact C-N 3.3Å; D402-H404 PolarHBondContact O-N 2.77Å
403Y48.5Very low50.5Low166 Ų166136.3 Ų136.365%0.65169%0.691SS**  trans-75.377.5178.5-76-87.4000111.6H401 F405H401-Y403 WeakPolarHBondContact O-CD2 3.31Å; H401-Y403 PolarHBondContact O-N 2.79Å; Y403-F405 AromaticContact CD1-CE2 3.73Å; Y403-F405 HydrophobicContact CD1-CE2 3.73Å; Y403-F405 AromaticContact CD1-CZ 3.98Å; Y403-F405 HydrophobicContact CD1-CZ 3.98Å; Y403-F405 HydrophobicContact CG-CE2 4.17Å; Y403-F405 PolarHBondContact O-N 3.49Å; Y403-F405 VanDerWaalsContact O-N 3.09Å
404H49.3Very low50.9Low181 Ų181132.3 Ų132.384%0.83868%0.675SS**  trans-75.986.4165.3-86.5-76.1000110.6D402 G406D402-H404 VanDerWaalsContact C-N 3.3Å; D402-H404 PolarHBondContact O-N 2.77Å; H404-G406 PolarHBondContact O-N 2.67Å; H404-G406 VanDerWaalsContact O-N 3.08Å
405F51.8Low51.7Low174 Ų174132 Ų13276%0.76367%0.67SS**  trans-74.190.8165-73.4-79.8000110Y403Y403-F405 AromaticContact CD1-CE2 3.73Å; Y403-F405 HydrophobicContact CD1-CE2 3.73Å; Y403-F405 AromaticContact CD1-CZ 3.98Å; Y403-F405 HydrophobicContact CD1-CZ 3.98Å; Y403-F405 HydrophobicContact CG-CE2 4.17Å; Y403-F405 PolarHBondContact O-N 3.49Å; Y403-F405 VanDerWaalsContact O-N 3.09Å
406G49.8Very low52.7Low59 Ų59129.6 Ų129.661%0.60866%0.657SS**  trans-118.1118.9163.700000108.8H404 E408H404-G406 PolarHBondContact O-N 2.67Å; H404-G406 VanDerWaalsContact O-N 3.08Å; G406-E408 PolarHBondContact O-N 3.27Å
407L55.7Low53.5Low117 Ų117132.5 Ų132.561%0.61366%0.659SS**  trans-68.9126167.3-70162.7000107.9E411L407-E411 HydrophobicContact CD2-CB 4.12Å
408E59.9Low54.1Low127 Ų127135.1 Ų135.159%0.59367%0.668SS**  trans-71.8158.9168-66.6-161.1162.700110.1G406 H410 E411G406-E408 PolarHBondContact O-N 3.27Å; E408-H410 PolarHBondContact O-N 3.43Å; E408-H410 IonicContact OE2-CE1 3.75Å; E408-H410 PolarHBondContact OE2-CE1 3.1Å; E408-H410 VanDerWaalsContact OE2-CE1 3.31Å; E408-H410 IonicContact OE2-ND1 3.97Å; E408-E411 PolarHBondContact O-N 2.7Å
409D58.8Low54.4Low185 Ų185133 Ų13399%0.98965%0.654SS**THydrogen-bonded Turntrans-59.73.5-172.2-70.8-37.9000115.7
410H55.9Low54.7Low147 Ų147129.9 Ų129.968%0.68165%0.653SS**THydrogen-bonded Turntrans-128.1-5.1-179.467.5-69000114.6E408E408-H410 PolarHBondContact O-N 3.43Å; E408-H410 IonicContact OE2-CE1 3.75Å; E408-H410 PolarHBondContact OE2-CE1 3.1Å; E408-H410 VanDerWaalsContact OE2-CE1 3.31Å; E408-H410 IonicContact OE2-ND1 3.97Å
411E64.3Low55.2Low82 Ų82125.4 Ų125.438%0.38364%0.64SS.*  trans-96.1137.6177.6-69.2178.4167.700110.8L407 E408L407-E411 HydrophobicContact CD2-CB 4.12Å; E408-E411 PolarHBondContact O-N 2.7Å
412G65.3Low55.8Low37 Ų37125.8 Ų125.838%0.38164%0.642SS.*  trans-115.2166.3-178.600000112.2S414 E415G412-S414 PolarHBondContact O-N 3.05Å; G412-E415 PolarHBondContact O-N 3.39Å
413I61.2Low56.3Low117 Ų117125.7 Ų125.760%0.664%0.641SS**THydrogen-bonded Turntrans-55.9-11.8175.756.2170.3000114.8L416I413-L416 PolarHBondContact O-N 3.47Å
414S59Low56.4Low50 Ų50124.5 Ų124.535%0.3565%0.646SS.*THydrogen-bonded Turntrans-59.7-41.1177.1-38.50000113.3G412 L416 F417 D418 C419G412-S414 PolarHBondContact O-N 3.05Å; S414-L416 VanDerWaalsContact C-N 3.31Å; S414-L416 PolarHBondContact O-N 3.29Å; S414-F417 PolarHBondContact O-N 3.06Å; S414-D418 PolarHBondContact O-N 2.87Å; S414-C419 PolarHBondContact O-N 2.69Å
415E61.8Low56.3Low130 Ų130120 Ų12061%0.60764%0.635SS**THydrogen-bonded Turntrans-74.7-20.4-179.3-74.1-179.3135.500112.9G412 F417G412-E415 PolarHBondContact O-N 3.39Å; E415-F417 PolarHBondContact O-N 3.16Å
416L62.8Low56Low112 Ų112119.7 Ų119.759%0.58664%0.635SS**THydrogen-bonded Turntrans-72-13.6177-154.575.5000112.7I413 S414I413-L416 PolarHBondContact O-N 3.47Å; S414-L416 VanDerWaalsContact C-N 3.31Å; S414-L416 PolarHBondContact O-N 3.29Å
417F60.4Low55.8Low141 Ų141123.3 Ų123.362%0.61865%0.645SS**THydrogen-bonded Turntrans-135.16.3-173.2-64.8-73.6000114.5S414 E415 C419S414-F417 PolarHBondContact O-N 3.06Å; E415-F417 PolarHBondContact O-N 3.16Å; F417-C419 HydrophobicContact CB-CB 4.33Å; F417-C419 PolarHBondContact O-N 3.23Å; F417-C419 PolarHBondContact O-SG 2.94Å
418D55Low55.1Low159 Ų159129.4 Ų129.485%0.8568%0.677SS**THydrogen-bonded Turntrans46.944.7-172.2-76-33000112.9S414S414-D418 PolarHBondContact O-N 2.87Å
419C47.4Very low54.8Low57 Ų57129.5 Ų129.539%0.38568%0.681SS.*  trans-116.2108.5-173.5-74.90000113S414 F417 F421S414-C419 PolarHBondContact O-N 2.69Å; F417-C419 HydrophobicContact CB-CB 4.33Å; F417-C419 PolarHBondContact O-N 3.23Å; F417-C419 PolarHBondContact O-SG 2.94Å; C419-F421 HydrophobicContact CB-CD2 4.47Å; C419-F421 HydrophobicContact CB-CE2 3.88Å; C419-F421 HydrophobicContact CB-CZ 4.17Å; C419-F421 WeakPolarHBondContact O-CD2 3.29Å; C419-F421 PolarHBondContact O-N 2.79Å
420D54.4Low54.6Low160 Ų160126.6 Ų126.686%0.85667%0.665SS**  trans-76.1108.4173.3-71.1-35.4000111.5E422D420-E422 VanDerWaalsContact C-N 3.34Å; D420-E422 PolarHBondContact O-N 3.16Å
421F58.1Low54.6Low119 Ų119125.4 Ų125.452%0.52266%0.664SS.*  trans-86.19.1-179.2-71.6-81.8000114.8C419 D423 L424C419-F421 HydrophobicContact CB-CD2 4.47Å; C419-F421 HydrophobicContact CB-CE2 3.88Å; C419-F421 HydrophobicContact CB-CZ 4.17Å; C419-F421 WeakPolarHBondContact O-CD2 3.29Å; C419-F421 PolarHBondContact O-N 2.79Å; F421-D423 VanDerWaalsContact C-N 3.27Å; F421-D423 PolarHBondContact O-N 3.11Å; F421-L424 HydrophobicContact CD1-CD1 4.28Å; F421-L424 PolarHBondContact O-N 2.77Å
422E53.3Low54Low169 Ų169128 Ų12879%0.7968%0.681SS**G310 helixtrans-63.3-27.7-172.8-65.3-153.9133.700114.3D420 L424 S425D420-E422 VanDerWaalsContact C-N 3.34Å; D420-E422 PolarHBondContact O-N 3.16Å; E422-L424 PolarHBondContact O-N 2.68Å; E422-S425 PolarHBondContact O-N 3.19Å; E422-S425 PolarHBondContact O-OG 3.39Å
423D50.6Low53.3Low150 Ų150133.7 Ų133.780%0.80270%0.699SS**G310 helixtrans-74.2-9.5-173.2-129.311.9000114F421 S425F421-D423 VanDerWaalsContact C-N 3.27Å; F421-D423 PolarHBondContact O-N 3.11Å; D423-S425 VanDerWaalsContact C-N 3.29Å; D423-S425 PolarHBondContact O-N 3.21Å
424L49.1Very low52.8Low142 Ų142134.8 Ų134.874%0.74371%0.706SS**G310 helixtrans-80.5-3.9176.5-88.8158000114.3F421 E422 H426F421-L424 HydrophobicContact CD1-CD1 4.28Å; F421-L424 PolarHBondContact O-N 2.77Å; E422-L424 PolarHBondContact O-N 2.68Å; L424-H426 VanDerWaalsContact C-N 3.32Å; L424-H426 PolarHBondContact O-N 3.48Å
425S47.2Very low52.3Low87 Ų87140.9 Ų140.961%0.60873%0.731SS**G310 helixtrans-78.8-9.9179.461.40000114.6E422 D423E422-S425 PolarHBondContact O-N 3.19Å; E422-S425 PolarHBondContact O-OG 3.39Å; D423-S425 VanDerWaalsContact C-N 3.29Å; D423-S425 PolarHBondContact O-N 3.21Å
426H46.5Very low51.6Low167 Ų167141.7 Ų141.777%0.77374%0.741SS**G310 helixtrans-105.427.2-171.3-93-62.3000116.1L424L424-H426 VanDerWaalsContact C-N 3.32Å; L424-H426 PolarHBondContact O-N 3.48Å
427V45.1Very low50.6Low135 Ų135144.2 Ų144.282%0.81875%0.754SS**  trans-13491.4164.9-170.10000111.5
428L40.9Very low49.8Very low244 Ų244144.5 Ų144.5100%1.27777%0.766SS**  trans-129.20164-91.7173.1000110

Retrieved 428 of 428 residues in 179.8 ms (Link to these results)