A0A3Q0KF74_SCHMA Loading...

Putative far upstream (Fuse) binding protein

AlphaFold DB (A0A3Q0KF62), UniProt , Accession A0A3Q0KF74, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 529 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
1M47.2Very low69.7Low246 Ų246107.2 Ų107.2100%1.21265%0.648SS**  027.90-71.4-106-108.300112.8
2A55.6Low70.7Confident87 Ų87109 Ų10972%0.71964%0.644SS**  trans-118.810.2-172.700000114.6
3G57.6Low71.3Confident67 Ų67115 Ų11569%0.69165%0.649SS**SBendtrans-90.2-9.2-174.300000115.7
4N66.8Low71.6Confident132 Ų132110.6 Ų110.671%0.70663%0.634SS**SBendtrans-101-20.7-171.1-1129.2000114.6Y7 A8N4-Y7 PolarHBondContact O-N 2.92Å; N4-A8 PolarHBondContact O-N 3.45Å; N4-A8 VanDerWaalsContact O-N 3.12Å
5E77.1Confident71.9Confident151 Ų151113 Ų11371%0.70663%0.634SS**Hα-helixtrans-71.3-35.1-177.7-75174.88900112.6Y7 A8 S9E5-Y7 VanDerWaalsContact C-N 3.34Å; E5-Y7 PolarHBondContact O-N 2.8Å; E5-A8 PolarHBondContact O-N 2.88Å; E5-S9 WeakPolarHBondContact O-CB 3.12Å; E5-S9 PolarHBondContact O-N 3.38Å
6A74.3Confident72.3Confident77 Ų77114 Ų11464%0.63663%0.632SS**Hα-helixtrans-65.9-36.6176.600000112.4A10A6-A10 WeakPolarHBondContact O-CB 3.18Å; A6-A10 PolarHBondContact O-N 2.74Å; A6-A10 VanDerWaalsContact O-N 3.09Å
7Y76.6Confident72Confident161 Ų161113.2 Ų113.263%0.63163%0.626SS**Hα-helixtrans-72.5-41.9177.3-172.7-103000111.8N4 E5 S9 A10 I11N4-Y7 PolarHBondContact O-N 2.92Å; E5-Y7 VanDerWaalsContact C-N 3.34Å; E5-Y7 PolarHBondContact O-N 2.8Å; Y7-S9 PolarHBondContact O-N 2.73Å; Y7-A10 PolarHBondContact O-N 3.49Å; Y7-I11 HydrophobicContact CD1-CD1 3.94Å; Y7-I11 HydrophobicContact CE1-CD1 3.34Å; Y7-I11 HydrophobicContact CE1-CG1 4.3Å; Y7-I11 HydrophobicContact CE2-CD1 4.48Å; Y7-I11 PolarHBondContact O-N 2.94Å; Y7-I11 VanDerWaalsContact O-N 3.12Å
8A77.6Confident71.6Confident57 Ų57113 Ų11347%0.47163%0.628SS.*Hα-helixtrans-60.5-44.5174.200000111.8N4 E5 A10 I11 E12N4-A8 PolarHBondContact O-N 3.45Å; N4-A8 VanDerWaalsContact O-N 3.12Å; E5-A8 PolarHBondContact O-N 2.88Å; A8-A10 PolarHBondContact O-N 3.15Å; A8-I11 PolarHBondContact O-N 2.79Å; A8-E12 PolarHBondContact O-N 2.91Å; A8-E12 VanDerWaalsContact O-N 3.13Å
9S77.9Confident71.1Confident76 Ų76110.6 Ų110.653%0.53162%0.619SS.*Hα-helixtrans-66.1-35.5178-166.70000113.1E5 Y7 E12 R13E5-S9 WeakPolarHBondContact O-CB 3.12Å; E5-S9 PolarHBondContact O-N 3.38Å; Y7-S9 PolarHBondContact O-N 2.73Å; S9-E12 PolarHBondContact O-N 3.02Å; S9-R13 PolarHBondContact O-N 3.08Å; S9-R13 VanDerWaalsContact O-N 3.1Å
10A74.6Confident70.6Confident58 Ų58113.9 Ų113.948%0.47963%0.627SS.*Hα-helixtrans-67.4-41.3176.900000112.7A6 Y7 A8 E12 A14A6-A10 WeakPolarHBondContact O-CB 3.18Å; A6-A10 PolarHBondContact O-N 2.74Å; A6-A10 VanDerWaalsContact O-N 3.09Å; Y7-A10 PolarHBondContact O-N 3.49Å; A8-A10 PolarHBondContact O-N 3.15Å; A10-E12 VanDerWaalsContact C-N 3.34Å; A10-A14 PolarHBondContact O-N 2.76Å; A10-A14 VanDerWaalsContact O-N 3.07Å
11I81.5Confident69.9Low67 Ų67117.2 Ų117.234%0.34464%0.635SS.*Hα-helixtrans-65.3-39.1175.5-70.7-178000111Y7 A8 A14 K15Y7-I11 HydrophobicContact CD1-CD1 3.94Å; Y7-I11 HydrophobicContact CE1-CD1 3.34Å; Y7-I11 HydrophobicContact CE1-CG1 4.3Å; Y7-I11 HydrophobicContact CE2-CD1 4.48Å; Y7-I11 PolarHBondContact O-N 2.94Å; Y7-I11 VanDerWaalsContact O-N 3.12Å; A8-I11 PolarHBondContact O-N 2.79Å; I11-A14 PolarHBondContact O-N 2.84Å; I11-K15 HydrophobicContact CG2-CD 4.42Å; I11-K15 WeakPolarHBondContact O-CG 3.46Å; I11-K15 PolarHBondContact O-N 3.44Å
12E81.6Confident70.2Confident129 Ų129110.2 Ų110.260%0.60361%0.61SS**Hα-helixtrans-69.2-37.2-178.8-154.1148.8103.700112.4A8 S9 A10 K15 Q16A8-E12 PolarHBondContact O-N 2.91Å; A8-E12 VanDerWaalsContact O-N 3.13Å; S9-E12 PolarHBondContact O-N 3.02Å; A10-E12 VanDerWaalsContact C-N 3.34Å; E12-K15 PolarHBondContact O-N 2.93Å; E12-Q16 PolarHBondContact O-N 3.18Å; E12-Q16 VanDerWaalsContact O-N 3.1Å
13R78.4Confident70Confident187 Ų187113.1 Ų113.171%0.70661%0.611SS**Hα-helixtrans-63.4-41.3168.8-99.3-170-179.9-177.22.6112.5S9 K15 Q16 I17S9-R13 PolarHBondContact O-N 3.08Å; S9-R13 VanDerWaalsContact O-N 3.1Å; R13-K15 VanDerWaalsContact C-N 3.32Å; R13-K15 PolarHBondContact O-N 2.83Å; R13-Q16 PolarHBondContact O-N 3.39Å; R13-I17 WeakPolarHBondContact O-CG1 3.26Å; R13-I17 PolarHBondContact O-N 2.79Å; R13-I17 VanDerWaalsContact O-N 3.1Å
14A75Confident69.4Low54 Ų54115.6 Ų115.645%0.44662%0.617SS.*Hα-helixtrans-62.4-39.5177.300000111.7A10 I11 I17 V18A10-A14 PolarHBondContact O-N 2.76Å; A10-A14 VanDerWaalsContact O-N 3.07Å; I11-A14 PolarHBondContact O-N 2.84Å; A14-I17 PolarHBondContact O-N 3.06Å; A14-V18 PolarHBondContact O-N 2.57Å
15K76.6Confident68.5Low146 Ų146117.2 Ų117.264%0.63563%0.626SS**Hα-helixtrans-63.6-40.5173.8-73.4178178.1178.50112.7I11 E12 R13 I17 V18 S19I11-K15 HydrophobicContact CG2-CD 4.42Å; I11-K15 WeakPolarHBondContact O-CG 3.46Å; I11-K15 PolarHBondContact O-N 3.44Å; E12-K15 PolarHBondContact O-N 2.93Å; R13-K15 VanDerWaalsContact C-N 3.32Å; R13-K15 PolarHBondContact O-N 2.83Å; K15-I17 PolarHBondContact O-N 3.02Å; K15-V18 PolarHBondContact O-N 2.8Å; K15-S19 WeakPolarHBondContact O-CB 3.38Å; K15-S19 PolarHBondContact O-N 3.38Å
16Q78.1Confident66.9Low129 Ų129118.1 Ų118.160%0.60364%0.636SS**Hα-helixtrans-66.1-35.1176.7-76.1-174.117.100113.1E12 R13 S19 K20E12-Q16 PolarHBondContact O-N 3.18Å; E12-Q16 VanDerWaalsContact O-N 3.1Å; R13-Q16 PolarHBondContact O-N 3.39Å; Q16-S19 PolarHBondContact O-N 3.3Å; Q16-K20 WeakPolarHBondContact O-CB 3.38Å; Q16-K20 PolarHBondContact O-N 2.77Å
17I67.1Low65.3Low101 Ų101117.7 Ų117.752%0.51864%0.639SS.*Hα-helixtrans-67.8-44177.9-65.6165.6000110.1R13 A14 K15 S19 K20 F21R13-I17 WeakPolarHBondContact O-CG1 3.26Å; R13-I17 PolarHBondContact O-N 2.79Å; R13-I17 VanDerWaalsContact O-N 3.1Å; A14-I17 PolarHBondContact O-N 3.06Å; K15-I17 PolarHBondContact O-N 3.02Å; I17-S19 VanDerWaalsContact C-N 3.32Å; I17-S19 PolarHBondContact O-N 3.46Å; I17-K20 PolarHBondContact O-N 3.18Å; I17-F21 HydrophobicContact CG2-CD2 4.03Å; I17-F21 HydrophobicContact CG2-CE2 4.01Å; I17-F21 VanDerWaalsContact O-CD2 3.29Å; I17-F21 WeakPolarHBondContact O-CD2 3.26Å; I17-F21 PolarHBondContact O-N 2.75Å
18V65.2Low63.7Low109 Ų109115.2 Ų115.266%0.66165%0.645SS**Hα-helixtrans-65-36.5175.7177.50000111.7A14 K15A14-V18 PolarHBondContact O-N 2.57Å; K15-V18 PolarHBondContact O-N 2.8Å
19S61.3Low62.1Low67 Ų67118 Ų11847%0.46966%0.657SS.*Hα-helixtrans-72.4-28.4177-157.40000113.3K15 Q16 I17K15-S19 WeakPolarHBondContact O-CB 3.38Å; K15-S19 PolarHBondContact O-N 3.38Å; Q16-S19 PolarHBondContact O-N 3.3Å; I17-S19 VanDerWaalsContact C-N 3.32Å; I17-S19 PolarHBondContact O-N 3.46Å
20K61Low60.6Low176 Ų176120 Ų12077%0.76567%0.665SS**Hα-helixtrans-78-23175.9-102.3-175.2173.4175.50114.1Q16 I17Q16-K20 WeakPolarHBondContact O-CB 3.38Å; Q16-K20 PolarHBondContact O-N 2.77Å; I17-K20 PolarHBondContact O-N 3.18Å
21F57.3Low59.2Low185 Ų185124.8 Ų124.881%0.81168%0.683SS**SBendtrans-87.7-3.9173.8-80.8-76.3000113.6I17I17-F21 HydrophobicContact CG2-CD2 4.03Å; I17-F21 HydrophobicContact CG2-CE2 4.01Å; I17-F21 VanDerWaalsContact O-CD2 3.29Å; I17-F21 WeakPolarHBondContact O-CD2 3.26Å; I17-F21 PolarHBondContact O-N 2.75Å
22S52.3Low57.2Low98 Ų98125.6 Ų125.669%0.68571%0.708SS**SBendtrans-107.211.5-178.6-1690000114.5
23M51.3Low55.2Low149 Ų149122.8 Ų122.873%0.73471%0.714SS**SBendtrans-142.569.8-176-76.7171.815800111.3
24S45.4Very low53.7Low118 Ų118122.1 Ų122.183%0.82572%0.722SS**  trans-170.492.6165.2-70.20000109.1
25D47.5Very low52.3Low167 Ų167123.9 Ų123.989%0.89374%0.737SS**  trans179.9107.9137.9-150.6-119.2000109.1
26D44.8Very low50.8Low169 Ų169119.7 Ų119.790%0.90474%0.735SS**  trans-140.1127.1170.5-157.8-71.5000109.1
27G40.7Very low49.6Very low68 Ų68122.1 Ų122.170%0.70175%0.749SS**  trans94.6123.917000000115.4
28S43Very low48.4Very low109 Ų109126.4 Ų126.476%0.76276%0.764SS**  cis-176148.116.7-178.90000109.8
29T44.1Very low47.6Very low117 Ų117132.1 Ų132.172%0.71877%0.773SS**  trans77.7120.7154.4-450000116.5
30T46.3Very low46.7Very low116 Ų116134.7 Ų134.771%0.71279%0.788SS**  cis-171.4149.213.123.10000111.4
31N44.3Very low45.9Very low160 Ų160131.1 Ų131.186%0.85679%0.792SS**  trans82.196.2147.4-79.4-47.8000123.3
32G40.4Very low45.1Very low84 Ų84130.9 Ų130.987%0.86679%0.793SS**  88.2121.7126.600000118.3
33G39.6Very low44.6Very low70 Ų70134.6 Ų134.672%0.72280%0.8SS**  cis173.8151.90.200000111.8
34I46.4Very low44.2Very low172 Ų172135.7 Ų135.788%0.88280%0.803SS**  trans90.496.5146.5-53.5172.9000120.3
35A46.3Very low44.1Very low92 Ų92136.8 Ų136.876%0.7680%0.8SS**  63135.9128.900000121.4
36G44.7Very low43.6Very low58 Ų58135.5 Ų135.560%0.59879%0.793SS**  cis157146.40.100000112.6
37M52.4Low43.4Very low179 Ų179134.9 Ų134.988%0.88279%0.789SS**  trans71.8144.4152.9-50.599-178.900119.4
38K42.4Very low43.1Very low191 Ų191140.4 Ų140.483%0.8380%0.795SS**  cis-177.5119.7-18.4179.8171.9-178.5-179.10106.2
39R47.8Very low42.8Very low230 Ų230138 Ų13887%0.86878%0.781SS**  trans12.5171.3140.9-72.3-170.1-151.3-157.94.9121.7
40P43.2Very low42.4Very low120 Ų120138.7 Ų138.778%0.77979%0.786SS**  cis-141.3-175.3-40.640.3-21.5000112.9
41A43.2Very low42.2Very low101 Ų101138.2 Ų138.284%0.83578%0.782SS**  trans-78.8162.3-179.900000115.4
42Q41.4Very low41.8Very low181 Ų181137.6 Ų137.685%0.84678%0.775SS**  trans-137.6133.2154.7-170.8171.6-23.100110.1
43E40.9Very low41.7Very low175 Ų175142 Ų14282%0.81877%0.77SS**  trans-65154.2176.4-65.7152.4108.200112.5
44E43.8Very low41.8Very low173 Ų173149.8 Ų149.881%0.80878%0.777SS**  -168.7122.5128.3-105.9-171.6123.400113.3
45N42.4Very low41.8Very low141 Ų141145.6 Ų145.675%0.75476%0.762SS**  81.7137.3129-133.8-17.6000122.6
46N37.7Very low41.9Very low140 Ų140148.4 Ų148.475%0.74976%0.763SS**  trans-85178.5-168-75.1-66.1000114.1
47N39.8Very low41.8Very low156 Ų156150.9 Ų150.983%0.83477%0.766SS**  trans84.6144.4161.9-79.19.5000115.6
48F35.4Very low41.8Very low184 Ų184150.6 Ų150.681%0.80777%0.765SS**  cis176.2147.9-1.2163.3-105000104.9
49A37Very low41.8Very low59 Ų59149 Ų14949%0.48877%0.765SS.*  trans57115.816000000119.2
50T35.2Very low42Very low131 Ų131147.5 Ų147.580%0.80477%0.765SS**  67.7127.581.9-51.10000113.9
51T41.9Very low42.1Very low105 Ų105148.3 Ų148.364%0.64477%0.768SS**  trans99.999154.9-55.70000118.8
52E35.3Very low41.8Very low148 Ų148148.6 Ų148.669%0.69277%0.77SS**  62.4142.7125.8-63.4-171.279.200123.5
53K39.8Very low41.9Very low176 Ų176144.4 Ų144.477%0.76577%0.766SS**  trans91.594.2149.3-75.2158.1-174.8173.80120
54R41.9Very low42Very low233 Ų233141.1 Ų141.188%0.87977%0.769SS**  39.2161.3110-103.7-166.3155.6-143.1-0.7119.4
55P45.2Very low42.1Very low85 Ų85138.1 Ų138.155%0.55277%0.773SS**  -140.7-159.4-51.231.1-6.5000112.6
56L47.8Very low42.4Very low151 Ų151140.2 Ų140.279%0.79178%0.779SS**  trans88.2131.7161.5-51.4178.7000114.2
57V44.4Very low42.8Very low109 Ų109138.2 Ų138.266%0.66178%0.781SS**  cis-163.5145.522.2-1060000105.1
58M52.3Low43.2Very low174 Ų174135.9 Ų135.986%0.85778%0.784SS**  -177123.195.8-102.495.2-177.300109.9
59D41.8Very low43.9Very low157 Ų157131.8 Ų131.884%0.8478%0.784SS**  trans-56135.9160-75.8-85.1000112.6
60K51.1Low44.7Very low198 Ų198139.9 Ų139.986%0.86180%0.802SS**  trans-175.7137135.6-102.3169.1-172.3-173.10111.2
61V46.2Very low45.5Very low138 Ų138141.5 Ų141.584%0.83680%0.804SS**  trans90.464.4165.3-156.80000116.9
62A37.1Very low45.8Very low107 Ų107144.3 Ų144.388%0.88482%0.815SS**  trans-104.496.314800000108.5
63A44.2Very low46.3Very low92 Ų92146.1 Ų146.176%0.7682%0.823SS**  trans-170.571.8169.100000110.7
64A42.1Very low46.5Very low107 Ų107147.3 Ų147.388%0.88483%0.829SS**  trans-156.419.7172.400000115.9
65A46.2Very low46.7Very low109 Ų109144.7 Ų144.790%0.90183%0.831SS**SBendtrans-112.813.9-168.900000117.2
66E48.6Very low46.2Very low186 Ų186144.4 Ų144.487%0.86984%0.843SS**SBendtrans-129.28.8-172.1-143.9-174.2112.200116.7
67A46.6Very low45.8Very low97 Ų97140.7 Ų140.780%0.80284%0.842SS**SBendtrans-101.3-3.6-169.900000116.6
68A47.3Very low45.7Very low108 Ų108141.7 Ų141.789%0.89385%0.854SS**SBendtrans-101.30.8-17000000116.2
69A50.2Low45.3Very low97 Ų97142.1 Ų142.180%0.80285%0.853SS**SBendtrans-110.412.7-168.800000116.3
70R53.3Low45.5Very low230 Ų230139.1 Ų139.187%0.86884%0.843SS**  trans-123.816.5-169.5-70.4-159.1169.3-141.1-1.2118.2
71I52.6Low45Very low164 Ų164135.5 Ų135.584%0.84184%0.837SS**SBendtrans-103.7-5-171.9-65.5177000115.4
72N48.6Very low44.9Very low164 Ų164134 Ų13488%0.87783%0.833SS**SBendtrans-114.730.6-174.2-151.664.3000116.6
73Q46Very low45.1Very low186 Ų186135.7 Ų135.787%0.86983%0.833SS**SBendtrans-135.961.8179.2-158.7-171.179.700112.5
74K44.4Very low45.2Very low201 Ų201139.2 Ų139.287%0.87484%0.837SS**  trans-173.683.8159.2-127.6178.8177.3-164.80111.9
75L44.6Very low45.8Very low179 Ų179139.3 Ų139.394%0.93783%0.829SS**  trans-173120.5152.1-102.3141.3000110.7
76G35.9Very low45.9Very low78 Ų78139.7 Ų139.780%0.80482%0.822SS**  trans42.8115.1156.800000118.3
77G38.2Very low45.4Very low73 Ų73136.7 Ų136.775%0.75382%0.817SS**  cis89117.745.300000109.8
78S42.9Very low45.2Very low131 Ų131137.2 Ų137.292%0.91682%0.815SS**  trans102.6106.3167.7-29.40000117.7
79Q43.3Very low44.9Very low182 Ų182139.5 Ų139.585%0.8581%0.812SS**  trans-57.9-177157-95.2-167.468.600113.3
80P46.1Very low44.7Very low95 Ų95140.6 Ų140.662%0.61781%0.805SS**  cis-140170.1-7.122.53.4000116.6
81T40.7Very low44.1Very low121 Ų121137 Ų13774%0.74280%0.802SS**  trans57.8132.2139.660.40000124.2
82S43.6Very low43.9Very low106 Ų106134.5 Ų134.574%0.74180%0.8SS**  trans89.2143.3146.15.80000120.1
83T41.4Very low44.3Very low144 Ų144132.3 Ų132.388%0.88379%0.792SS**  trans100.5132.1158.45.50000119.1
84L46.9Very low44.8Very low165 Ų165126.1 Ų126.186%0.86478%0.778SS**  trans-64.8174.9-170.9-81.5158.7000114.8
85P55.8Low45.6Very low109 Ų109121.6 Ų121.671%0.70877%0.772SS**  trans-84.8176.5-148.838.9-36.3000114.1
86P47.3Very low47.4Very low117 Ų117122.2 Ų122.276%0.7676%0.762SS**  -148.9165.1108.435-15.9000116.6
87T38.8Very low49.8Very low124 Ų124123 Ų12376%0.76175%0.751SS**  trans-30.7153.1160.5-40000117.7
88S41.9Very low52.4Low107 Ų107122 Ų12275%0.74873%0.729SS**  trans7797.1149.9-58.20000118.7
89N41.4Very low54.8Low156 Ų156119.6 Ų119.683%0.83471%0.71SS**  trans175.2146.3142.5-106.7-12.8000108
90N45.8Very low57Low121 Ų121112.9 Ų112.965%0.64768%0.681SS**  cis-165.2112.9-9.1-165.7-2.4000103.2S92N90-S92 PolarHBondContact O-N 3.35Å
91N40.3Very low59.1Low153 Ų153114.7 Ų114.782%0.81868%0.681SS**  trans28.987.2135.1-150.718.1000117.1
92S49.3Very low61.4Low113 Ų113110.7 Ų110.779%0.7966%0.657SS**  trans-167.728160-68.30000113.7N90N90-S92 PolarHBondContact O-N 3.35Å
93V55.3Low63.5Low118 Ų118108.1 Ų108.172%0.71564%0.642SS**  trans-107.615.4-171.6-163.80000112.7
94G56.2Low65.7Low56 Ų56101.3 Ų101.358%0.57760%0.6SS**SBendtrans-90.4-6.7-172.300000116.9
95S62.7Low67.6Low106 Ų10695.4 Ų95.474%0.74157%0.572SS**SBendtrans-139.76.9-171.1-1570000115.2V97S95-V97 PolarHBondContact O-N 2.96Å
96R82.7Confident69Low192 Ų19293.1 Ų93.173%0.72555%0.554SS**  trans-78.7115.7175-172.8175.3175.1-164.6-1.4109.3V98 P149R96-V98 HydrophobicContact CG-CG2 4.21Å; R96-V98 PolarHBondContact O-N 3.25Å; R96-P149 WeakPolarHBondContact O-CD 3.49Å
97V86.3Confident70.8Confident95 Ų9595 Ų9558%0.57655%0.545SS*.  trans-67.1121.9165.4-177.60000108S95 T146 G147S95-V97 PolarHBondContact O-N 2.96Å; V97-T146 HydrophobicContact CG1-CG2 3.65Å; V97-G147 CarbonylContact C-O 3.35Å; V97-G147 WeakPolarHBondContact CA-O 3.43Å
98V91.7Very high73.1Confident50 Ų5090.6 Ų90.630%0.30352%0.515SS..EExtended strand (participates in β ladder)trans-114.6154176.7-1760000107.7R96 T146 G147 I152R96-V98 HydrophobicContact CG-CG2 4.21Å; R96-V98 PolarHBondContact O-N 3.25Å; V98-T146 WeakPolarHBondContact O-CA 3.29Å; V98-G147 PolarHBondContact N-O 3.48Å; V98-G147 PolarHBondContact O-N 2.9Å; V98-I152 HydrophobicContact CB-CD1 4.06Å; V98-I152 VanDerWaalsContact O-CD1 3.31Å; V98-I152 WeakPolarHBondContact O-CD1 3.4Å
99T92.6Very high75.4Confident82 Ų8285.6 Ų85.650%0.50348%0.48SS..EExtended strand (participates in β ladder)trans-117.1129.1169.1-61.20000108.2T144 L145 T146T99-T144 HydrophobicContact CG2-CG2 3.34Å; T99-L145 CarbonylContact C-O 3.58Å; T99-L145 VanDerWaalsContact CA-O 3.29Å; T99-L145 WeakPolarHBondContact CA-O 3.4Å; T99-T146 WeakPolarHBondContact CG2-OG1 3.12Å; T99-T146 PolarHBondContact OG1-OG1 3.11Å; T99-T146 VanDerWaalsContact OG1-OG1 3.06Å
100T91.2Very high77.6Confident40 Ų4080.8 Ų80.825%0.24547%0.467CS..EExtended strand (participates in β ladder)trans-129.6141.1179.6-53.50000109.9L145 K156T100-L145 PolarHBondContact N-O 2.93Å; T100-L145 PolarHBondContact O-N 3.43Å; T100-K156 VanDerWaalsContact CG2-NZ 3.29Å
101E90.3Very high79.5Confident133 Ų13379.5 Ų79.562%0.62146%0.46SS*.EExtended strand (participates in β ladder)trans-104136.3177.8-65.5-179.7104.800110.1T142 V143 T144E101-T142 HydrophobicContact CB-CG2 3.74Å; E101-T142 HydrophobicContact CG-CG2 4.08Å; E101-V143 CarbonylContact C-O 3.19Å; E101-V143 WeakPolarHBondContact CA-O 3.32Å; E101-T144 HydrophobicContact CG-CG2 4.4Å
102T87.5Confident81.8Confident38 Ų3872.3 Ų72.323%0.23342%0.422CS..EExtended strand (participates in β ladder)trans-129.5134.7177-50.10000109.1V143 K156T102-V143 PolarHBondContact N-O 3.42Å; T102-V143 PolarHBondContact O-N 2.96Å; T102-K156 WeakPolarHBondContact OG1-CE 3.39Å
103A88.8Confident83.8Confident52 Ų5269.5 Ų69.543%0.4340%0.397SS..EExtended strand (participates in β ladder)trans-86135176.700000111.1E140A103-E140 HydrophobicContact CB-CB 4.27Å
104I87.2Confident85.3Confident0 Ų065 Ų650%037%0.374CS..EExtended strand (participates in β ladder)trans-125.3129.8174.6-57.1-179.4000109D106 V109 V112 E140 R141 V143 I159 I163I104-D106 PolarHBondContact O-N 3.48Å; I104-V109 HydrophobicContact CB-CG2 4.37Å; I104-V109 HydrophobicContact CG2-CG2 4.02Å; I104-V112 HydrophobicContact CD1-CG1 4.41Å; I104-V112 HydrophobicContact CD1-CG2 4.32Å; I104-E140 CarbonylContact O-C 3.25Å; I104-E140 WeakPolarHBondContact O-CA 3.44Å; I104-R141 PolarHBondContact N-O 3.5Å; I104-R141 PolarHBondContact O-N 3.27Å; I104-V143 HydrophobicContact CB-CG2 4.42Å; I104-V143 HydrophobicContact CD1-CB 4.21Å; I104-V143 HydrophobicContact CD1-CG2 3.3Å; I104-V143 HydrophobicContact CG1-CG2 3.76Å; I104-I159 HydrophobicContact CD1-CD1 4.42Å; I104-I159 HydrophobicContact CD1-CG2 3.35Å; I104-I159 HydrophobicContact CG1-CG2 3.95Å; I104-I163 HydrophobicContact CB-CD1 4.33Å; I104-I163 HydrophobicContact CD1-CD1 4.38Å; I104-I163 HydrophobicContact CG1-CD1 4.03Å; I104-I163 HydrophobicContact CG2-CD1 3.71Å; I104-I163 HydrophobicContact CG2-CG1 4.12Å
105P86.6Confident86.7Confident42 Ų4271.7 Ų71.727%0.27339%0.388SS..EExtended strand (participates in β ladder)trans-58.4136.3174-2331.9000112R107 Y108P105-R107 HydrophobicContact CB-CG 4.22Å; P105-R107 PolarHBondContact O-N 3.27Å; P105-Y108 HydrophobicContact CB-CD2 3.72Å; P105-Y108 HydrophobicContact CB-CE2 4.06Å; P105-Y108 HydrophobicContact CG-CD2 3.83Å; P105-Y108 HydrophobicContact CG-CE2 3.99Å; P105-Y108 PolarHBondContact O-N 2.79Å
106D84.9Confident87.9Confident61 Ų6171.1 Ų71.133%0.32640%0.398SS..Hα-helixtrans-51.4-36.4-175.1-175.978.5000112.8I104 Y108 V109 P139 R141I104-D106 PolarHBondContact O-N 3.48Å; D106-Y108 PolarHBondContact O-N 3.09Å; D106-Y108 VanDerWaalsContact O-N 3.08Å; D106-V109 PolarHBondContact O-N 2.86Å; D106-V109 VanDerWaalsContact O-N 3.15Å; D106-P139 PolarHBondContact N-O 2.87Å; D106-R141 IonicContact OD1-CZ 3.12Å; D106-R141 IonicContact OD1-NE 2.73Å; D106-R141 PolarHBondContact OD1-NE 3.04Å; D106-R141 IonicContact OD1-NH2 2.74Å; D106-R141 PolarHBondContact OD1-NH2 3.42Å
107R86.4Confident88.2Confident155 Ų15562.6 Ų62.659%0.58537%0.37SS*.Hα-helixtrans-57.1-25.9178.374.9176.9-59.5-129.81114.8P105P105-R107 HydrophobicContact CB-CG 4.22Å; P105-R107 PolarHBondContact O-N 3.27Å
108Y87Confident88.4Confident32 Ų3264.9 Ų64.913%0.12538%0.375CS..Hα-helixtrans-103.4-13.7-177.1-55.4-61.3000112.9P105 D106 G110 L111 V112 I163 A166P105-Y108 HydrophobicContact CB-CD2 3.72Å; P105-Y108 HydrophobicContact CB-CE2 4.06Å; P105-Y108 HydrophobicContact CG-CD2 3.83Å; P105-Y108 HydrophobicContact CG-CE2 3.99Å; P105-Y108 PolarHBondContact O-N 2.79Å; D106-Y108 PolarHBondContact O-N 3.09Å; D106-Y108 VanDerWaalsContact O-N 3.08Å; Y108-G110 VanDerWaalsContact C-N 3.29Å; Y108-G110 PolarHBondContact O-N 3.01Å; Y108-L111 WeakPolarHBondContact O-CB 3.31Å; Y108-L111 PolarHBondContact O-N 3.45Å; Y108-V112 WeakPolarHBondContact O-CG2 3.45Å; Y108-V112 PolarHBondContact O-N 2.95Å; Y108-I163 HydrophobicContact CD2-CB 4.47Å; Y108-I163 HydrophobicContact CD2-CG1 4.36Å; Y108-I163 HydrophobicContact CD2-CG2 3.64Å; Y108-I163 HydrophobicContact CE2-CG2 3.69Å; Y108-I163 HydrophobicContact CG-CG1 4.32Å; Y108-I163 HydrophobicContact CG-CG2 4.1Å; Y108-A166 HydrophobicContact CD1-CB 3.46Å; Y108-A166 VanDerWaalsContact CD1-CB 3.46Å; Y108-A166 HydrophobicContact CE1-CB 3.75Å
109V88.6Confident88.4Confident2 Ų265.5 Ų65.51%0.01237%0.374CS..Hα-helixtrans-58.5-42.4-177.2173.10000111.3I104 D106 L111 V112 I113 I133 R141I104-V109 HydrophobicContact CB-CG2 4.37Å; I104-V109 HydrophobicContact CG2-CG2 4.02Å; D106-V109 PolarHBondContact O-N 2.86Å; D106-V109 VanDerWaalsContact O-N 3.15Å; V109-L111 PolarHBondContact O-N 3.32Å; V109-V112 PolarHBondContact O-N 2.93Å; V109-I113 HydrophobicContact CG1-CD1 3.66Å; V109-I113 HydrophobicContact CG1-CG1 4.29Å; V109-I113 VanDerWaalsContact O-CG1 3.29Å; V109-I113 WeakPolarHBondContact O-CG1 3.39Å; V109-I113 PolarHBondContact O-N 3.48Å; V109-I133 HydrophobicContact CG1-CD1 4.42Å; V109-I133 HydrophobicContact CG1-CG2 3.9Å; V109-R141 HydrophobicContact CG2-CB 4Å; V109-R141 HydrophobicContact CG2-CG 4.13Å
110G87.6Confident88.4Confident55 Ų5562.7 Ų62.757%0.56736%0.356SS*.Hα-helixtrans-62-31.5176.900000113.6Y108 G114Y108-G110 VanDerWaalsContact C-N 3.29Å; Y108-G110 PolarHBondContact O-N 3.01Å; G110-G114 PolarHBondContact O-N 2.79Å
111L87Confident88.4Confident95 Ų9564.3 Ų64.350%0.49737%0.366SS..Hα-helixtrans-77.8-36.1176.6-69.6161.9000111.7Y108 V109 G114 I162 A166Y108-L111 WeakPolarHBondContact O-CB 3.31Å; Y108-L111 PolarHBondContact O-N 3.45Å; V109-L111 PolarHBondContact O-N 3.32Å; L111-G114 PolarHBondContact O-N 2.87Å; L111-I162 HydrophobicContact CB-CG2 4.33Å; L111-A166 HydrophobicContact CD1-CB 3.39Å
112V89.1Confident88.5Confident1 Ų162.3 Ų62.31%0.00636%0.357CS..Hα-helixtrans-67-37.3173.7176.80000111.4I104 Y108 V109 I120 I133 I159 I162 I163I104-V112 HydrophobicContact CD1-CG1 4.41Å; I104-V112 HydrophobicContact CD1-CG2 4.32Å; Y108-V112 WeakPolarHBondContact O-CG2 3.45Å; Y108-V112 PolarHBondContact O-N 2.95Å; V109-V112 PolarHBondContact O-N 2.93Å; V112-I120 PolarHBondContact O-N 3.38Å; V112-I133 HydrophobicContact CG1-CD1 4.28Å; V112-I159 HydrophobicContact CG1-CG1 4.37Å; V112-I162 HydrophobicContact CB-CG2 4.49Å; V112-I162 HydrophobicContact CG2-CB 4.28Å; V112-I162 HydrophobicContact CG2-CG2 3.75Å; V112-I163 HydrophobicContact CG2-CG1 4.42Å
113I89.6Confident88.8Confident55 Ų5560.5 Ų60.528%0.28235%0.345SS..Hα-helixtrans-71.1-43175.1-64.7169000111V109 G117 Q119 I120 I133V109-I113 HydrophobicContact CG1-CD1 3.66Å; V109-I113 HydrophobicContact CG1-CG1 4.29Å; V109-I113 VanDerWaalsContact O-CG1 3.29Å; V109-I113 WeakPolarHBondContact O-CG1 3.39Å; V109-I113 PolarHBondContact O-N 3.48Å; I113-G117 CarbonylContact O-C 3.47Å; I113-G117 VanDerWaalsContact O-C 3.25Å; I113-G117 VanDerWaalsContact O-CA 3.24Å; I113-G117 WeakPolarHBondContact O-CA 3.27Å; I113-Q119 WeakPolarHBondContact O-CB 3.42Å; I113-Q119 PolarHBondContact O-N 3.33Å; I113-I120 HydrophobicContact CB-CG2 4.49Å; I113-I120 HydrophobicContact CG2-CG2 4.11Å; I113-I120 PolarHBondContact O-N 2.85Å; I113-I120 VanDerWaalsContact O-N 3.09Å; I113-I133 HydrophobicContact CD1-CD1 4.2Å; I113-I133 HydrophobicContact CG1-CD1 3.66Å
114G87.5Confident88.9Confident22 Ų2261.2 Ų61.223%0.22734%0.34CS..  trans75.8170.1-173.700000113G110 L111 G116 G117G110-G114 PolarHBondContact O-N 2.79Å; L111-G114 PolarHBondContact O-N 2.87Å; G114-G116 PolarHBondContact O-N 2.97Å; G114-G117 PolarHBondContact O-N 2.72Å
115K86.4Confident89.2Confident198 Ų19865.9 Ų65.986%0.86137%0.365SS*.G310 helixtrans-65.5122178.4-62.7177.5-176.7178.60108.8G117 E118K115-G117 PolarHBondContact O-N 3.3Å; K115-E118 PolarHBondContact O-N 3.18Å
116G87.1Confident89.5Confident93 Ų9368 Ų6896%0.95937%0.374SS*.G310 helixtrans68.812.9-178.800000115.4G114 E118G114-G116 PolarHBondContact O-N 2.97Å; G116-E118 VanDerWaalsContact C-N 3.29Å
117G88.3Confident89.9Confident14 Ų1465.3 Ų65.314%0.14436%0.36CS..G310 helixtrans806.3-176.400000114.4I113 G114 K115 Q119 I120 T121I113-G117 CarbonylContact O-C 3.47Å; I113-G117 VanDerWaalsContact O-C 3.25Å; I113-G117 VanDerWaalsContact O-CA 3.24Å; I113-G117 WeakPolarHBondContact O-CA 3.27Å; G114-G117 PolarHBondContact O-N 2.72Å; K115-G117 PolarHBondContact O-N 3.3Å; G117-Q119 VanDerWaalsContact C-N 3.3Å; G117-Q119 PolarHBondContact O-N 3.35Å; G117-I120 WeakPolarHBondContact O-CG2 3.41Å; G117-I120 PolarHBondContact O-N 3.11Å; G117-T121 WeakPolarHBondContact O-CB 3.47Å; G117-T121 PolarHBondContact O-N 2.8Å; G117-T121 PolarHBondContact O-OG1 3.21Å
118E90.8Very high90.1Very high143 Ų14364.3 Ų64.367%0.66836%0.362SS*.Hα-helixtrans-58.9-40.3-176.7-170.3179.914600112.5K115 G116 T121 Q122K115-E118 PolarHBondContact O-N 3.18Å; G116-E118 VanDerWaalsContact C-N 3.29Å; E118-T121 PolarHBondContact O-N 3.5Å; E118-Q122 WeakPolarHBondContact O-CB 3.35Å; E118-Q122 PolarHBondContact O-N 3.3Å
119Q91.8Very high90.3Very high63 Ų6363 Ų6329%0.29436%0.357SS..Hα-helixtrans-71.5-42.1-177.2-170.267.182.800112I113 G117 T121 Q122 L123 I162I113-Q119 WeakPolarHBondContact O-CB 3.42Å; I113-Q119 PolarHBondContact O-N 3.33Å; G117-Q119 VanDerWaalsContact C-N 3.3Å; G117-Q119 PolarHBondContact O-N 3.35Å; Q119-T121 VanDerWaalsContact C-N 3.34Å; Q119-Q122 VanDerWaalsContact NE2-OE1 3.16Å; Q119-Q122 PolarHBondContact O-N 3Å; Q119-L123 VanDerWaalsContact O-CB 3.27Å; Q119-L123 WeakPolarHBondContact O-CB 3.47Å; Q119-L123 PolarHBondContact O-N 2.91Å; Q119-I162 HydrophobicContact CG-CD1 4.13Å
120I91.8Very high90.5Very high23 Ų2369.2 Ų69.212%0.11838%0.384CS..Hα-helixtrans-68.3-36.1175-173.9174.5000111.1V112 I113 G117 L123 Q124 V131 I133V112-I120 PolarHBondContact O-N 3.38Å; I113-I120 HydrophobicContact CB-CG2 4.49Å; I113-I120 HydrophobicContact CG2-CG2 4.11Å; I113-I120 PolarHBondContact O-N 2.85Å; I113-I120 VanDerWaalsContact O-N 3.09Å; G117-I120 WeakPolarHBondContact O-CG2 3.41Å; G117-I120 PolarHBondContact O-N 3.11Å; I120-L123 PolarHBondContact O-N 3.21Å; I120-Q124 VanDerWaalsContact O-CG 3.32Å; I120-Q124 WeakPolarHBondContact O-CG 3.23Å; I120-Q124 PolarHBondContact O-N 2.97Å; I120-V131 HydrophobicContact CD1-CG1 4.29Å; I120-V131 HydrophobicContact CG1-CG1 4.43Å; I120-I133 HydrophobicContact CD1-CD1 3.76Å; I120-I133 HydrophobicContact CD1-CG1 4.02Å
121T93Very high90.8Very high74 Ų7466.9 Ų66.945%0.45436%0.359SS..Hα-helixtrans-63.5-45.1173.8-63.30000111G117 E118 Q119 L123 Q124 N125G117-T121 WeakPolarHBondContact O-CB 3.47Å; G117-T121 PolarHBondContact O-N 2.8Å; G117-T121 PolarHBondContact O-OG1 3.21Å; E118-T121 PolarHBondContact O-N 3.5Å; Q119-T121 VanDerWaalsContact C-N 3.34Å; T121-L123 VanDerWaalsContact C-N 3.35Å; T121-L123 PolarHBondContact O-N 3.3Å; T121-Q124 PolarHBondContact O-N 2.87Å; T121-N125 VanDerWaalsContact O-CG 3.26Å; T121-N125 PolarHBondContact O-N 2.9Å; T121-N125 PolarHBondContact O-ND2 3.49Å
122Q92.3Very high91Very high91 Ų9168 Ų6843%0.42536%0.361SS..Hα-helixtrans-61.1-44.1173.9-175.5175.823.100111.6E118 Q119 Q124 N125 D126E118-Q122 WeakPolarHBondContact O-CB 3.35Å; E118-Q122 PolarHBondContact O-N 3.3Å; Q119-Q122 VanDerWaalsContact NE2-OE1 3.16Å; Q119-Q122 PolarHBondContact O-N 3Å; Q122-Q124 VanDerWaalsContact C-N 3.31Å; Q122-Q124 PolarHBondContact O-N 3.24Å; Q122-N125 PolarHBondContact O-N 3.11Å; Q122-N125 VanDerWaalsContact O-N 3.09Å; Q122-D126 PolarHBondContact O-N 2.86Å
123L92.2Very high91Very high0 Ų069.4 Ų69.40%037%0.368CS..Hα-helixtrans-60.6-40.5178.7-171.8142.3000112Q119 I120 T121 T127 V131 A155 M158 I159 I162Q119-L123 VanDerWaalsContact O-CB 3.27Å; Q119-L123 WeakPolarHBondContact O-CB 3.47Å; Q119-L123 PolarHBondContact O-N 2.91Å; I120-L123 PolarHBondContact O-N 3.21Å; T121-L123 VanDerWaalsContact C-N 3.35Å; T121-L123 PolarHBondContact O-N 3.3Å; L123-T127 WeakPolarHBondContact O-CB 3.35Å; L123-T127 WeakPolarHBondContact O-CG2 3.49Å; L123-T127 PolarHBondContact O-N 2.99Å; L123-T127 VanDerWaalsContact O-N 3.13Å; L123-T127 PolarHBondContact O-OG1 2.97Å; L123-V131 HydrophobicContact CD2-CB 4.3Å; L123-V131 HydrophobicContact CD2-CG1 4.34Å; L123-V131 HydrophobicContact CD2-CG2 3.5Å; L123-A155 HydrophobicContact CD2-CB 4.46Å; L123-M158 HydrophobicContact CB-SD 3.94Å; L123-M158 HydrophobicContact CD1-CB 4.06Å; L123-M158 HydrophobicContact CD1-CG 3.72Å; L123-M158 HydrophobicContact CD1-SD 3.76Å; L123-M158 HydrophobicContact CG-CB 4.49Å; L123-M158 HydrophobicContact CG-CG 4.19Å; L123-M158 HydrophobicContact CG-SD 3.6Å; L123-I159 HydrophobicContact CD1-CG1 3.71Å; L123-I159 HydrophobicContact CD2-CD1 4.49Å; L123-I159 HydrophobicContact CD2-CG1 4.34Å; L123-I162 HydrophobicContact CD1-CD1 3.77Å
124Q92.1Very high90.8Very high66 Ų6668.8 Ų68.831%0.30837%0.369SS..Hα-helixtrans-65.8-39.9173.6-71.1179.944.300112.1I120 T121 Q122 Q128 C129 V131I120-Q124 VanDerWaalsContact O-CG 3.32Å; I120-Q124 WeakPolarHBondContact O-CG 3.23Å; I120-Q124 PolarHBondContact O-N 2.97Å; T121-Q124 PolarHBondContact O-N 2.87Å; Q122-Q124 VanDerWaalsContact C-N 3.31Å; Q122-Q124 PolarHBondContact O-N 3.24Å; Q124-Q128 VanDerWaalsContact O-CA 3.26Å; Q124-Q128 WeakPolarHBondContact O-CA 3.48Å; Q124-Q128 PolarHBondContact O-N 3.4Å; Q124-C129 WeakPolarHBondContact CG-O 3.39Å; Q124-V131 HydrophobicContact CG-CB 3.89Å; Q124-V131 HydrophobicContact CG-CG2 3.95Å; Q124-V131 PolarHBondContact NE2-O 2.84Å
125N93.8Very high90.5Very high99 Ų9976.7 Ų76.753%0.52940%0.4SS..Hα-helixtrans-67.5-44.5178.6-70.4-18.5000112.3T121 Q122 Q128T121-N125 VanDerWaalsContact O-CG 3.26Å; T121-N125 PolarHBondContact O-N 2.9Å; T121-N125 PolarHBondContact O-ND2 3.49Å; Q122-N125 PolarHBondContact O-N 3.11Å; Q122-N125 VanDerWaalsContact O-N 3.09Å; N125-Q128 PolarHBondContact O-NE2 3.27Å
126D93.1Very high89.8Confident87 Ų8771.1 Ų71.147%0.46539%0.39SS..Hα-helixtrans-72.5-36.3-176.6-71.8-3.5000112Q122 M158Q122-D126 PolarHBondContact O-N 2.86Å; D126-M158 HydrophobicContact CB-CE 3.74Å
127T92.4Very high88.7Confident4 Ų468 Ų683%0.02536%0.359CS..Hα-helixtrans-90.2-15.4-177.865.10000112.7L123 C129 Q151 H154 A155 M158L123-T127 WeakPolarHBondContact O-CB 3.35Å; L123-T127 WeakPolarHBondContact O-CG2 3.49Å; L123-T127 PolarHBondContact O-N 2.99Å; L123-T127 VanDerWaalsContact O-N 3.13Å; L123-T127 PolarHBondContact O-OG1 2.97Å; T127-C129 PolarHBondContact O-N 3.13Å; T127-C129 VanDerWaalsContact O-N 3.12Å; T127-C129 WeakPolarHBondContact OG1-CB 3.39Å; T127-C129 PolarHBondContact OG1-N 3Å; T127-Q151 VanDerWaalsContact O-CB 3.29Å; T127-Q151 WeakPolarHBondContact O-CB 3.11Å; T127-Q151 VanDerWaalsContact O-CG 3.25Å; T127-Q151 WeakPolarHBondContact O-CG 3.36Å; T127-H154 HydrophobicContact CG2-CB 4.44Å; T127-A155 VanDerWaalsContact CG2-CA 3.46Å; T127-A155 HydrophobicContact CG2-CB 3.76Å; T127-M158 HydrophobicContact CG2-CE 4.23Å; T127-M158 HydrophobicContact CG2-SD 4.41Å
128Q91.5Very high87.9Confident134 Ų13473.1 Ų73.163%0.62639%0.387SS*.  trans52.227-169.2-60.8-74.2-72.100112.1Q124 N125 Q151Q124-Q128 VanDerWaalsContact O-CA 3.26Å; Q124-Q128 WeakPolarHBondContact O-CA 3.48Å; Q124-Q128 PolarHBondContact O-N 3.4Å; N125-Q128 PolarHBondContact O-NE2 3.27Å; Q128-Q151 HydrophobicContact CB-CG 4.39Å; Q128-Q151 PolarHBondContact O-NE2 3.25Å; Q128-Q151 PolarHBondContact O-OE1 2.88Å
129C90.9Very high87.3Confident3 Ų371.4 Ų71.42%0.0239%0.389CS..  trans-107.8138.8179.7-175.80000109.9Q124 T127 V131 T146 Q151 A155Q124-C129 WeakPolarHBondContact CG-O 3.39Å; T127-C129 PolarHBondContact O-N 3.13Å; T127-C129 VanDerWaalsContact O-N 3.12Å; T127-C129 WeakPolarHBondContact OG1-CB 3.39Å; T127-C129 PolarHBondContact OG1-N 3Å; C129-V131 PolarHBondContact O-N 3.42Å; C129-T146 PolarHBondContact SG-O 2.96Å; C129-Q151 HydrophobicContact CB-CB 4.25Å; C129-A155 HydrophobicContact CB-CB 4.02Å
130K93Very high87Confident133 Ų13373.8 Ų73.858%0.57840%0.4SS*.EExtended strand (participates in β ladder)trans-79.4116.1172-176.1176.6-176.4-176.70109.2L145 T146K130-L145 WeakPolarHBondContact O-CA 3.27Å; K130-T146 PolarHBondContact N-O 3.42Å; K130-T146 PolarHBondContact O-N 3.21Å
131V92.5Very high86.8Confident7 Ų775.8 Ų75.84%0.04241%0.406CS..EExtended strand (participates in β ladder)trans-110.8117.9-176.9-177.20000110.1I120 L123 Q124 C129 V143 L145I120-V131 HydrophobicContact CD1-CG1 4.29Å; I120-V131 HydrophobicContact CG1-CG1 4.43Å; L123-V131 HydrophobicContact CD2-CB 4.3Å; L123-V131 HydrophobicContact CD2-CG1 4.34Å; L123-V131 HydrophobicContact CD2-CG2 3.5Å; Q124-V131 HydrophobicContact CG-CB 3.89Å; Q124-V131 HydrophobicContact CG-CG2 3.95Å; Q124-V131 PolarHBondContact NE2-O 2.84Å; C129-V131 PolarHBondContact O-N 3.42Å; V131-V143 HydrophobicContact CG1-CG1 3.52Å; V131-L145 HydrophobicContact CB-CD2 4.01Å; V131-L145 HydrophobicContact CG1-CD2 3.76Å; V131-L145 HydrophobicContact CG2-CD2 3.45Å; V131-L145 VanDerWaalsContact CG2-CD2 3.45Å
132Q91.3Very high86.6Confident119 Ų11974.7 Ų74.756%0.55640%0.399SS*.EExtended strand (participates in β ladder)trans-121.7119179.1-176170.5-6.700110.2V143 T144Q132-V143 CarbonylContact O-C 3.21Å; Q132-V143 WeakPolarHBondContact O-CA 3.44Å; Q132-T144 PolarHBondContact N-O 3.46Å; Q132-T144 PolarHBondContact O-N 3.24Å
133I89.6Confident86.6Confident29 Ų2970.3 Ų70.315%0.14938%0.379CS..EExtended strand (participates in β ladder)trans-97.4124.3179.8-54.9-178.9000108.7V109 V112 I113 I120 R141 V143V109-I133 HydrophobicContact CG1-CD1 4.42Å; V109-I133 HydrophobicContact CG1-CG2 3.9Å; V112-I133 HydrophobicContact CG1-CD1 4.28Å; I113-I133 HydrophobicContact CD1-CD1 4.2Å; I113-I133 HydrophobicContact CG1-CD1 3.66Å; I120-I133 HydrophobicContact CD1-CD1 3.76Å; I120-I133 HydrophobicContact CD1-CG1 4.02Å; I133-R141 HydrophobicContact CG2-CB 4.44Å; I133-V143 HydrophobicContact CB-CG2 4.32Å; I133-V143 HydrophobicContact CD1-CG2 4.47Å; I133-V143 HydrophobicContact CG1-CG1 4.16Å; I133-V143 HydrophobicContact CG1-CG2 3.82Å; I133-V143 HydrophobicContact CG2-CG2 4.17Å
134S86.3Confident86.6Confident42 Ų4271.7 Ų71.729%0.29439%0.387SS..  trans-66.3133.6175.7-600000110.4A136 R141 T142S134-A136 VanDerWaalsContact C-N 3.25Å; S134-A136 PolarHBondContact O-N 3.38Å; S134-R141 VanDerWaalsContact O-CD 3.26Å; S134-R141 WeakPolarHBondContact O-CD 3.29Å; S134-T142 VanDerWaalsContact CB-O 3.26Å; S134-T142 WeakPolarHBondContact CB-O 3.4Å; S134-T142 PolarHBondContact N-O 3.35Å; S134-T142 PolarHBondContact OG-O 2.77Å
135Q80.3Confident86.7Confident189 Ų18968.5 Ų68.588%0.88337%0.372SS*.SBendtrans-74.8-17.8176-66.8-171.8-7.200112.8
136A72.3Confident86.7Confident80 Ų8065.8 Ų65.866%0.66136%0.359SS*.  trans-103.2133.517700000110.3S134S134-A136 VanDerWaalsContact C-N 3.25Å; S134-A136 PolarHBondContact O-N 3.38Å
137G63.5Low86.6Confident28 Ų2861.9 Ų61.929%0.28934%0.339SS..  trans144.397.1177.100000112.7E140 R141G137-E140 CarbonylContact C-O 3.57Å; G137-E140 WeakPolarHBondContact CA-O 3.45Å; G137-E140 CarbonylContact O-C 3.36Å; G137-R141 WeakPolarHBondContact O-CG 3.31Å
138T71.9Confident86.6Confident122 Ų12262.8 Ų62.875%0.74835%0.345SS*.SBendtrans-125.6126.7169.352.20000107.4
139P79Confident86.6Confident107 Ų10759 Ų5970%0.69533%0.332SS*.SBendcis-84.6-8.810.732.1-34.7000116.1D106D106-P139 PolarHBondContact N-O 2.87Å
140E85.3Confident86.6Confident112 Ų11265.6 Ų65.652%0.52336%0.362SS..EExtended strand (participates in β ladder)trans-122.4130.8-176.7-60.4-179122.200111.1A103 I104 G137A103-E140 HydrophobicContact CB-CB 4.27Å; I104-E140 CarbonylContact O-C 3.25Å; I104-E140 WeakPolarHBondContact O-CA 3.44Å; G137-E140 CarbonylContact C-O 3.57Å; G137-E140 WeakPolarHBondContact CA-O 3.45Å; G137-E140 CarbonylContact O-C 3.36Å
141R86.8Confident86.6Confident65 Ų6561.9 Ų61.925%0.24535%0.347CS..EExtended strand (participates in β ladder)trans-95.9133.8172.2-66.1-165.8-159.7-174.5-1.7110.4I104 D106 V109 I133 S134 G137I104-R141 PolarHBondContact N-O 3.5Å; I104-R141 PolarHBondContact O-N 3.27Å; D106-R141 IonicContact OD1-CZ 3.12Å; D106-R141 IonicContact OD1-NE 2.73Å; D106-R141 PolarHBondContact OD1-NE 3.04Å; D106-R141 IonicContact OD1-NH2 2.74Å; D106-R141 PolarHBondContact OD1-NH2 3.42Å; V109-R141 HydrophobicContact CG2-CB 4Å; V109-R141 HydrophobicContact CG2-CG 4.13Å; I133-R141 HydrophobicContact CG2-CB 4.44Å; S134-R141 VanDerWaalsContact O-CD 3.26Å; S134-R141 WeakPolarHBondContact O-CD 3.29Å; G137-R141 WeakPolarHBondContact O-CG 3.31Å
142T89.3Confident86.7Confident51 Ų5161.9 Ų61.931%0.31335%0.347SS..EExtended strand (participates in β ladder)trans-80.7126.1176.5-52.10000110.9E101 S134E101-T142 HydrophobicContact CB-CG2 3.74Å; E101-T142 HydrophobicContact CG-CG2 4.08Å; S134-T142 VanDerWaalsContact CB-O 3.26Å; S134-T142 WeakPolarHBondContact CB-O 3.4Å; S134-T142 PolarHBondContact N-O 3.35Å; S134-T142 PolarHBondContact OG-O 2.77Å
143V91.1Very high86.7Confident0 Ų061.2 Ų61.20%035%0.347CS..EExtended strand (participates in β ladder)trans-105.4116.8173.2-177.30000109.7E101 T102 I104 V131 Q132 I133 L145 I159E101-V143 CarbonylContact C-O 3.19Å; E101-V143 WeakPolarHBondContact CA-O 3.32Å; T102-V143 PolarHBondContact N-O 3.42Å; T102-V143 PolarHBondContact O-N 2.96Å; I104-V143 HydrophobicContact CB-CG2 4.42Å; I104-V143 HydrophobicContact CD1-CB 4.21Å; I104-V143 HydrophobicContact CD1-CG2 3.3Å; I104-V143 HydrophobicContact CG1-CG2 3.76Å; V131-V143 HydrophobicContact CG1-CG1 3.52Å; Q132-V143 CarbonylContact O-C 3.21Å; Q132-V143 WeakPolarHBondContact O-CA 3.44Å; I133-V143 HydrophobicContact CB-CG2 4.32Å; I133-V143 HydrophobicContact CD1-CG2 4.47Å; I133-V143 HydrophobicContact CG1-CG1 4.16Å; I133-V143 HydrophobicContact CG1-CG2 3.82Å; I133-V143 HydrophobicContact CG2-CG2 4.17Å; V143-L145 HydrophobicContact CG1-CD2 3.94Å; V143-L145 HydrophobicContact CG1-CG 4.36Å; V143-I159 HydrophobicContact CG1-CD1 4.21Å
144T93.5Very high86.9Confident28 Ų2863.7 Ų63.717%0.17236%0.358CS..EExtended strand (participates in β ladder)trans-90119.7176.7-47.60000109.2T99 E101 Q132T99-T144 HydrophobicContact CG2-CG2 3.34Å; E101-T144 HydrophobicContact CG-CG2 4.4Å; Q132-T144 PolarHBondContact N-O 3.46Å; Q132-T144 PolarHBondContact O-N 3.24Å
145L93.4Very high87.3Confident0 Ų061.7 Ų61.70%034%0.344CS..EExtended strand (participates in β ladder)trans-110.9118.1-179.4-59.6174.4000109.1T99 T100 K130 V131 V143 I152 A155 K156 I159T99-L145 CarbonylContact C-O 3.58Å; T99-L145 VanDerWaalsContact CA-O 3.29Å; T99-L145 WeakPolarHBondContact CA-O 3.4Å; T100-L145 PolarHBondContact N-O 2.93Å; T100-L145 PolarHBondContact O-N 3.43Å; K130-L145 WeakPolarHBondContact O-CA 3.27Å; V131-L145 HydrophobicContact CB-CD2 4.01Å; V131-L145 HydrophobicContact CG1-CD2 3.76Å; V131-L145 HydrophobicContact CG2-CD2 3.45Å; V131-L145 VanDerWaalsContact CG2-CD2 3.45Å; V143-L145 HydrophobicContact CG1-CD2 3.94Å; V143-L145 HydrophobicContact CG1-CG 4.36Å; L145-I152 HydrophobicContact CB-CG1 4.35Å; L145-I152 HydrophobicContact CB-CG2 4.07Å; L145-I152 HydrophobicContact CD1-CG2 4.09Å; L145-A155 HydrophobicContact CD1-CB 4.36Å; L145-A155 HydrophobicContact CD2-CB 4.13Å; L145-K156 HydrophobicContact CD1-CG 3.54Å; L145-I159 HydrophobicContact CD2-CD1 4.02Å
146T93.2Very high87.8Confident42 Ų4256.3 Ų56.326%0.25832%0.318SS..EExtended strand (participates in β ladder)trans-117123.5178.4-570000110V97 V98 T99 C129 K130V97-T146 HydrophobicContact CG1-CG2 3.65Å; V98-T146 WeakPolarHBondContact O-CA 3.29Å; T99-T146 WeakPolarHBondContact CG2-OG1 3.12Å; T99-T146 PolarHBondContact OG1-OG1 3.11Å; T99-T146 VanDerWaalsContact OG1-OG1 3.06Å; C129-T146 PolarHBondContact SG-O 2.96Å; K130-T146 PolarHBondContact N-O 3.42Å; K130-T146 PolarHBondContact O-N 3.21Å
147G91.9Very high88.8Confident5 Ų558.4 Ų58.45%0.05231%0.314CS..EExtended strand (participates in β ladder)trans174.8-170.4-178.200000112.5V97 V98V97-G147 CarbonylContact C-O 3.35Å; V97-G147 WeakPolarHBondContact CA-O 3.43Å; V98-G147 PolarHBondContact N-O 3.48Å; V98-G147 PolarHBondContact O-N 2.9Å
148T93.4Very high90.1Very high23 Ų2358.8 Ų58.814%0.14131%0.309CS..  trans-67153.8166.470.50000109.5Q150 Q151 I152T148-Q150 PolarHBondContact O-N 2.99Å; T148-Q150 VanDerWaalsContact O-N 3.11Å; T148-Q151 WeakPolarHBondContact O-CB 3.27Å; T148-Q151 PolarHBondContact O-N 3.11Å; T148-Q151 WeakPolarHBondContact OG1-CG 3.46Å; T148-Q151 PolarHBondContact OG1-N 3.35Å; T148-Q151 PolarHBondContact OG1-OE1 3.31Å; T148-I152 WeakPolarHBondContact O-CG1 3.22Å; T148-I152 PolarHBondContact O-N 2.85Å
149P90.5Very high91.1Very high55 Ų5553.1 Ų53.136%0.35727%0.274SS..Hα-helixtrans-55-31.9178.920-33000113.1R96 D153R96-P149 WeakPolarHBondContact O-CD 3.49Å; P149-D153 WeakPolarHBondContact O-CB 3.22Å; P149-D153 PolarHBondContact O-N 2.83Å; P149-D153 VanDerWaalsContact O-N 3.09Å
150Q91.5Very high91.6Very high140 Ų14049.7 Ų49.765%0.65426%0.258SS*.Hα-helixtrans-69.1-41.4175.3-67.9159.7-37.800112.4T148 H154T148-Q150 PolarHBondContact O-N 2.99Å; T148-Q150 VanDerWaalsContact O-N 3.11Å; Q150-H154 PolarHBondContact O-N 2.82Å; Q150-H154 VanDerWaalsContact O-N 3.13Å
151Q93.3Very high91.8Very high56 Ų5648.2 Ų48.226%0.26225%0.253SS..Hα-helixtrans-67.3-41.1176.9-70169.3-25.800111.8T127 Q128 C129 T148 H154 A155T127-Q151 VanDerWaalsContact O-CB 3.29Å; T127-Q151 WeakPolarHBondContact O-CB 3.11Å; T127-Q151 VanDerWaalsContact O-CG 3.25Å; T127-Q151 WeakPolarHBondContact O-CG 3.36Å; Q128-Q151 HydrophobicContact CB-CG 4.39Å; Q128-Q151 PolarHBondContact O-NE2 3.25Å; Q128-Q151 PolarHBondContact O-OE1 2.88Å; C129-Q151 HydrophobicContact CB-CB 4.25Å; T148-Q151 WeakPolarHBondContact O-CB 3.27Å; T148-Q151 PolarHBondContact O-N 3.11Å; T148-Q151 WeakPolarHBondContact OG1-CG 3.46Å; T148-Q151 PolarHBondContact OG1-N 3.35Å; T148-Q151 PolarHBondContact OG1-OE1 3.31Å; Q151-H154 PolarHBondContact O-N 3.33Å; Q151-A155 WeakPolarHBondContact O-CB 3.45Å; Q151-A155 PolarHBondContact O-N 2.98Å
152I93.4Very high91.8Very high6 Ų645.9 Ų45.93%0.03125%0.246CC..Hα-helixtrans-64.9-42.9178-65.4171.2000110.6V98 L145 T148 H154 A155 K156V98-I152 HydrophobicContact CB-CD1 4.06Å; V98-I152 VanDerWaalsContact O-CD1 3.31Å; V98-I152 WeakPolarHBondContact O-CD1 3.4Å; L145-I152 HydrophobicContact CB-CG1 4.35Å; L145-I152 HydrophobicContact CB-CG2 4.07Å; L145-I152 HydrophobicContact CD1-CG2 4.09Å; T148-I152 WeakPolarHBondContact O-CG1 3.22Å; T148-I152 PolarHBondContact O-N 2.85Å; I152-H154 VanDerWaalsContact C-N 3.34Å; I152-A155 PolarHBondContact O-N 2.8Å; I152-K156 HydrophobicContact CG2-CD 4.29Å; I152-K156 HydrophobicContact CG2-CG 4.42Å; I152-K156 WeakPolarHBondContact O-CG 3.29Å; I152-K156 PolarHBondContact O-N 2.93Å
153D92.6Very high91.7Very high106 Ų10645.1 Ų45.157%0.56724%0.239SC*.Hα-helixtrans-61.5-44.3177.6-165.7-108.9000111.4P149 A155 K156 Q157P149-D153 WeakPolarHBondContact O-CB 3.22Å; P149-D153 PolarHBondContact O-N 2.83Å; P149-D153 VanDerWaalsContact O-N 3.09Å; D153-A155 PolarHBondContact O-N 2.88Å; D153-K156 PolarHBondContact O-N 2.84Å; D153-Q157 PolarHBondContact O-N 3.13Å
154H93.3Very high91.4Very high80 Ų8050.5 Ų50.537%0.3726%0.264SS..Hα-helixtrans-61.6-41.9174.8-167.5-143.9000112.2T127 Q150 Q151 I152 Q157 M158T127-H154 HydrophobicContact CG2-CB 4.44Å; Q150-H154 PolarHBondContact O-N 2.82Å; Q150-H154 VanDerWaalsContact O-N 3.13Å; Q151-H154 PolarHBondContact O-N 3.33Å; I152-H154 VanDerWaalsContact C-N 3.34Å; H154-Q157 PolarHBondContact O-N 2.58Å; H154-M158 PolarHBondContact O-N 2.76Å
155A93.5Very high90.8Very high0 Ų056.9 Ų56.90%029%0.285CS..Hα-helixtrans-65.3-40.1175.500000112.8L123 T127 C129 L145 Q151 I152 D153 M158 I159L123-A155 HydrophobicContact CD2-CB 4.46Å; T127-A155 VanDerWaalsContact CG2-CA 3.46Å; T127-A155 HydrophobicContact CG2-CB 3.76Å; C129-A155 HydrophobicContact CB-CB 4.02Å; L145-A155 HydrophobicContact CD1-CB 4.36Å; L145-A155 HydrophobicContact CD2-CB 4.13Å; Q151-A155 WeakPolarHBondContact O-CB 3.45Å; Q151-A155 PolarHBondContact O-N 2.98Å; I152-A155 PolarHBondContact O-N 2.8Å; D153-A155 PolarHBondContact O-N 2.88Å; A155-M158 PolarHBondContact O-N 2.83Å; A155-I159 WeakPolarHBondContact O-CB 3.48Å; A155-I159 VanDerWaalsContact O-CG1 3.22Å; A155-I159 WeakPolarHBondContact O-CG1 3.17Å; A155-I159 PolarHBondContact O-N 2.76Å
156K92.1Very high89.8Confident77 Ų7757.3 Ų57.334%0.33529%0.289SS..Hα-helixtrans-62.2-43.2174.6-76.3-179.9174.9-171.40111.8T100 T102 L145 I152 D153 I159 G160T100-K156 VanDerWaalsContact CG2-NZ 3.29Å; T102-K156 WeakPolarHBondContact OG1-CE 3.39Å; L145-K156 HydrophobicContact CD1-CG 3.54Å; I152-K156 HydrophobicContact CG2-CD 4.29Å; I152-K156 HydrophobicContact CG2-CG 4.42Å; I152-K156 WeakPolarHBondContact O-CG 3.29Å; I152-K156 PolarHBondContact O-N 2.93Å; D153-K156 PolarHBondContact O-N 2.84Å; K156-I159 PolarHBondContact O-N 3.02Å; K156-G160 PolarHBondContact O-N 3.29Å
157Q92.5Very high88.6Confident123 Ų12357.1 Ų57.158%0.57530%0.295SS*.Hα-helixtrans-63.2-47.4177.7-174.9168.861.600111.2D153 H154 I159 G160 D161D153-Q157 PolarHBondContact O-N 3.13Å; H154-Q157 PolarHBondContact O-N 2.58Å; Q157-I159 PolarHBondContact O-N 2.77Å; Q157-G160 CarbonylContact O-C 3.58Å; Q157-G160 WeakPolarHBondContact O-CA 3.4Å; Q157-G160 PolarHBondContact O-N 3.46Å; Q157-G160 VanDerWaalsContact O-N 3.11Å; Q157-D161 PolarHBondContact O-N 3.27Å
158M91.4Very high87.2Confident37 Ų3764.2 Ų64.218%0.18233%0.325CS..Hα-helixtrans-63.1-40.3178.8-170.1178-68.300112.5L123 D126 T127 H154 A155 D161 I162L123-M158 HydrophobicContact CB-SD 3.94Å; L123-M158 HydrophobicContact CD1-CB 4.06Å; L123-M158 HydrophobicContact CD1-CG 3.72Å; L123-M158 HydrophobicContact CD1-SD 3.76Å; L123-M158 HydrophobicContact CG-CB 4.49Å; L123-M158 HydrophobicContact CG-CG 4.19Å; L123-M158 HydrophobicContact CG-SD 3.6Å; D126-M158 HydrophobicContact CB-CE 3.74Å; T127-M158 HydrophobicContact CG2-CE 4.23Å; T127-M158 HydrophobicContact CG2-SD 4.41Å; H154-M158 PolarHBondContact O-N 2.76Å; A155-M158 PolarHBondContact O-N 2.83Å; M158-D161 PolarHBondContact O-N 2.82Å; M158-I162 HydrophobicContact CG-CD1 4.41Å; M158-I162 VanDerWaalsContact O-CG1 3.27Å; M158-I162 WeakPolarHBondContact O-CG1 3.34Å; M158-I162 PolarHBondContact O-N 2.99Å
159I91.7Very high85.4Confident3 Ų368 Ų682%0.01534%0.344CS..Hα-helixtrans-61.6-45.3172.5-72.3171.6000110.5I104 V112 L123 V143 L145 A155 K156 Q157 D161 I162 I163I104-I159 HydrophobicContact CD1-CD1 4.42Å; I104-I159 HydrophobicContact CD1-CG2 3.35Å; I104-I159 HydrophobicContact CG1-CG2 3.95Å; V112-I159 HydrophobicContact CG1-CG1 4.37Å; L123-I159 HydrophobicContact CD1-CG1 3.71Å; L123-I159 HydrophobicContact CD2-CD1 4.49Å; L123-I159 HydrophobicContact CD2-CG1 4.34Å; V143-I159 HydrophobicContact CG1-CD1 4.21Å; L145-I159 HydrophobicContact CD2-CD1 4.02Å; A155-I159 WeakPolarHBondContact O-CB 3.48Å; A155-I159 VanDerWaalsContact O-CG1 3.22Å; A155-I159 WeakPolarHBondContact O-CG1 3.17Å; A155-I159 PolarHBondContact O-N 2.76Å; K156-I159 PolarHBondContact O-N 3.02Å; Q157-I159 PolarHBondContact O-N 2.77Å; I159-D161 VanDerWaalsContact C-N 3.35Å; I159-D161 PolarHBondContact O-N 2.93Å; I159-I162 PolarHBondContact O-N 2.87Å; I159-I163 HydrophobicContact CG2-CD1 3.68Å; I159-I163 HydrophobicContact CG2-CG1 4.45Å; I159-I163 VanDerWaalsContact O-CG1 3.27Å; I159-I163 WeakPolarHBondContact O-CG1 3.35Å; I159-I163 PolarHBondContact O-N 3.24Å
160G89.6Confident83.4Confident35 Ų3567.9 Ų67.936%0.36135%0.352SS..Hα-helixtrans-58.9-43.8176.600000112.5K156 Q157 I162 I163 E164K156-G160 PolarHBondContact O-N 3.29Å; Q157-G160 CarbonylContact O-C 3.58Å; Q157-G160 WeakPolarHBondContact O-CA 3.4Å; Q157-G160 PolarHBondContact O-N 3.46Å; Q157-G160 VanDerWaalsContact O-N 3.11Å; G160-I162 PolarHBondContact O-N 3.35Å; G160-I163 PolarHBondContact O-N 2.9Å; G160-E164 WeakPolarHBondContact O-CB 3.29Å; G160-E164 PolarHBondContact O-N 3.44Å
161D89Confident81.3Confident80 Ų8065.7 Ų65.743%0.42835%0.349SS..Hα-helixtrans-62.2-41.6175.3-87.4-47.6000112.3Q157 M158 I159 I163 E164 R165Q157-D161 PolarHBondContact O-N 3.27Å; M158-D161 PolarHBondContact O-N 2.82Å; I159-D161 VanDerWaalsContact C-N 3.35Å; I159-D161 PolarHBondContact O-N 2.93Å; D161-I163 VanDerWaalsContact C-N 3.35Å; D161-E164 PolarHBondContact O-N 2.82Å; D161-R165 WeakPolarHBondContact O-CB 3.08Å; D161-R165 PolarHBondContact O-N 3.33Å
162I87.5Confident78.9Confident17 Ų1768.7 Ų68.79%0.08737%0.373CS..Hα-helixtrans-64.1-43.5176.3-66.1162.5000110.2L111 V112 Q119 L123 M158 I159 G160 A166L111-I162 HydrophobicContact CB-CG2 4.33Å; V112-I162 HydrophobicContact CB-CG2 4.49Å; V112-I162 HydrophobicContact CG2-CB 4.28Å; V112-I162 HydrophobicContact CG2-CG2 3.75Å; Q119-I162 HydrophobicContact CG-CD1 4.13Å; L123-I162 HydrophobicContact CD1-CD1 3.77Å; M158-I162 HydrophobicContact CG-CD1 4.41Å; M158-I162 VanDerWaalsContact O-CG1 3.27Å; M158-I162 WeakPolarHBondContact O-CG1 3.34Å; M158-I162 PolarHBondContact O-N 2.99Å; I159-I162 PolarHBondContact O-N 2.87Å; G160-I162 PolarHBondContact O-N 3.35Å; I162-A166 WeakPolarHBondContact O-CB 3.5Å; I162-A166 PolarHBondContact O-N 2.88Å
163I87Confident76.3Confident35 Ų3574 Ų7418%0.17941%0.406CS..Hα-helixtrans-65.5-43.7178-67.4164.9000110.9I104 Y108 V112 I159 G160 D161 A166 G167I104-I163 HydrophobicContact CB-CD1 4.33Å; I104-I163 HydrophobicContact CD1-CD1 4.38Å; I104-I163 HydrophobicContact CG1-CD1 4.03Å; I104-I163 HydrophobicContact CG2-CD1 3.71Å; I104-I163 HydrophobicContact CG2-CG1 4.12Å; Y108-I163 HydrophobicContact CD2-CB 4.47Å; Y108-I163 HydrophobicContact CD2-CG1 4.36Å; Y108-I163 HydrophobicContact CD2-CG2 3.64Å; Y108-I163 HydrophobicContact CE2-CG2 3.69Å; Y108-I163 HydrophobicContact CG-CG1 4.32Å; Y108-I163 HydrophobicContact CG-CG2 4.1Å; V112-I163 HydrophobicContact CG2-CG1 4.42Å; I159-I163 HydrophobicContact CG2-CD1 3.68Å; I159-I163 HydrophobicContact CG2-CG1 4.45Å; I159-I163 VanDerWaalsContact O-CG1 3.27Å; I159-I163 WeakPolarHBondContact O-CG1 3.35Å; I159-I163 PolarHBondContact O-N 3.24Å; G160-I163 PolarHBondContact O-N 2.9Å; D161-I163 VanDerWaalsContact C-N 3.35Å; I163-A166 PolarHBondContact O-N 3.14Å; I163-G167 PolarHBondContact O-N 3.38Å
164E85.7Confident74.5Confident113 Ų11375.3 Ų75.353%0.52842%0.418SS..Hα-helixtrans-67.6-45179.6-169.4-179.4116.300111.1G160 D161 A166 G167 K168G160-E164 WeakPolarHBondContact O-CB 3.29Å; G160-E164 PolarHBondContact O-N 3.44Å; D161-E164 PolarHBondContact O-N 2.82Å; E164-A166 VanDerWaalsContact C-N 3.26Å; E164-A166 PolarHBondContact O-N 3.17Å; E164-G167 PolarHBondContact O-N 2.85Å; E164-K168 HydrophobicContact CG-CD 4.25Å; E164-K168 WeakPolarHBondContact O-CG 3.44Å; E164-K168 PolarHBondContact O-N 3.24Å; E164-K168 IonicContact OE1-NZ 2.72Å; E164-K168 PolarHBondContact OE1-NZ 3.01Å
165R81Confident72.1Confident162 Ų16277.9 Ų77.961%0.61144%0.442SS*.Hα-helixtrans-59.7-40.4174.6-172178.3-67146.52.7110.7D161 K168 N169D161-R165 WeakPolarHBondContact O-CB 3.08Å; D161-R165 PolarHBondContact O-N 3.33Å; R165-K168 PolarHBondContact O-N 3.26Å; R165-N169 VanDerWaalsContact O-CB 3.29Å; R165-N169 WeakPolarHBondContact O-CB 3.47Å; R165-N169 PolarHBondContact O-N 3.48Å
166A71.7Confident70Confident9 Ų981.3 Ų81.37%0.07447%0.47CS..Hα-helixtrans-71-35.4175.900000113.7Y108 L111 I162 I163 E164 K168 G170Y108-A166 HydrophobicContact CD1-CB 3.46Å; Y108-A166 VanDerWaalsContact CD1-CB 3.46Å; Y108-A166 HydrophobicContact CE1-CB 3.75Å; L111-A166 HydrophobicContact CD1-CB 3.39Å; I162-A166 WeakPolarHBondContact O-CB 3.5Å; I162-A166 PolarHBondContact O-N 2.88Å; I163-A166 PolarHBondContact O-N 3.14Å; E164-A166 VanDerWaalsContact C-N 3.26Å; E164-A166 PolarHBondContact O-N 3.17Å; A166-K168 VanDerWaalsContact C-N 3.26Å; A166-K168 PolarHBondContact O-N 2.95Å; A166-G170 PolarHBondContact O-N 3.11Å
167G67.3Low67.9Low38 Ų3884 Ų8439%0.39248%0.479SS..Hα-helixtrans-63.7-35175.100000111.8I163 E164I163-G167 PolarHBondContact O-N 3.38Å; E164-G167 PolarHBondContact O-N 2.85Å
168K63.1Low65.5Low153 Ų15385.3 Ų85.367%0.66549%0.49SS*.Hα-helixtrans-86.3-32.6177.8-66.5173.2176.7170.10113.4E164 R165 A166E164-K168 HydrophobicContact CG-CD 4.25Å; E164-K168 WeakPolarHBondContact O-CG 3.44Å; E164-K168 PolarHBondContact O-N 3.24Å; E164-K168 IonicContact OE1-NZ 2.72Å; E164-K168 PolarHBondContact OE1-NZ 3.01Å; R165-K168 PolarHBondContact O-N 3.26Å; A166-K168 VanDerWaalsContact C-N 3.26Å; A166-K168 PolarHBondContact O-N 2.95Å
169N55.7Low63.4Low104 Ų10486.1 Ų86.156%0.55650%0.5SS*.  trans-107.636.8-177.2-78-6.8000115R165 T171R165-N169 VanDerWaalsContact O-CB 3.29Å; R165-N169 WeakPolarHBondContact O-CB 3.47Å; R165-N169 PolarHBondContact O-N 3.48Å; N169-T171 PolarHBondContact O-N 3.22Å
170G47.8Very low61.5Low51 Ų5193.7 Ų93.753%0.52655%0.546SS..  trans-64.629.5-173.400000119.2A166A166-G170 PolarHBondContact O-N 3.11Å
171T47.5Very low60Low95 Ų9593.6 Ų93.658%0.58355%0.545SS*.SBendtrans-139.3117.4160.141.60000111.1N169 T173N169-T171 PolarHBondContact O-N 3.22Å; T171-T173 PolarHBondContact O-N 3.09Å
172P42.8Very low59Low119 Ų11994.7 Ų94.777%0.77356%0.559SS**  trans-83.5108179.332.5-28.5000109.4
173T40.1Very low58.7Low118 Ų118100.1 Ų100.172%0.72459%0.587SS**SBendtrans168.9127.614842.70000107.1T171T171-T173 PolarHBondContact O-N 3.09Å
174T54Low58.6Low133 Ų133100.8 Ų100.882%0.81659%0.593SS**SBendtrans97.9135.1174.367.80000116.5A176T174-A176 PolarHBondContact O-N 3.34Å
175P43.8Very low58.7Low133 Ų13398.8 Ų98.886%0.86459%0.589SS**  trans-63.8119.6-171.625.7-33000110.5Y177P175-Y177 PolarHBondContact O-N 2.87Å
176A49.4Very low59.1Low73 Ų7393.3 Ų93.360%0.60357%0.571SS**  trans-74.9112.5-179.100000110.6T174 N178T174-A176 PolarHBondContact O-N 3.34Å; A176-N178 PolarHBondContact O-N 3.35Å
177Y47.7Very low59.9Low132 Ų13299.1 Ų99.152%0.51860%0.596SS.*  trans-59.5121.9153.3146-105.2000108.5P175 S179 R241P175-Y177 PolarHBondContact O-N 2.87Å; Y177-S179 VanDerWaalsContact CZ-CB 3.45Å; Y177-S179 PolarHBondContact O-N 3.5Å; Y177-S179 VanDerWaalsContact O-N 3.16Å; Y177-S179 WeakPolarHBondContact OH-CB 3.37Å; Y177-S179 PolarHBondContact OH-OG 3.42Å; Y177-S179 VanDerWaalsContact OH-OG 3.11Å; Y177-R241 PolarHBondContact OH-NH2 2.95Å
178N41.3Very low60.8Low152 Ų15298.4 Ų98.481%0.81358%0.583SS**  trans-56.9111.2171.4-93.113000109.7A176A176-N178 PolarHBondContact O-N 3.35Å
179S48.3Very low61.9Low54 Ų5497 Ų9738%0.37858%0.581SS.*  trans-148.1106.9164-156.60000112.4Y177 G181Y177-S179 VanDerWaalsContact CZ-CB 3.45Å; Y177-S179 PolarHBondContact O-N 3.5Å; Y177-S179 VanDerWaalsContact O-N 3.16Å; Y177-S179 WeakPolarHBondContact OH-CB 3.37Å; Y177-S179 PolarHBondContact OH-OG 3.42Å; Y177-S179 VanDerWaalsContact OH-OG 3.11Å; S179-G181 PolarHBondContact O-N 2.94Å
180T51.6Low63.3Low161 Ų16192.1 Ų92.199%0.98855%0.554SS**  trans-75.648.6175.7-44.60000110.9
181G58.1Low65Low33 Ų3391.5 Ų91.534%0.3454%0.541SS..SBendtrans-125.2142.4-178.500000111.4S179 I183S179-G181 PolarHBondContact O-N 2.94Å; G181-I183 PolarHBondContact O-N 3.36Å
182S68.7Low66.6Low104 Ų10487.8 Ų87.873%0.72752%0.521SS*.  trans-49.6110.4179.7-57.30000111.4T184 P239S182-T184 PolarHBondContact O-N 3.37Å; S182-P239 WeakPolarHBondContact O-CD 3.24Å
183I80.5Confident68.4Low130 Ų13089 Ų8967%0.66752%0.521SS*.  trans-71.2111.9175.8-59.1172.1000107.5G181 G237G181-I183 PolarHBondContact O-N 3.36Å; I183-G237 CarbonylContact C-O 3.59Å
184T85.1Confident70.5Confident49 Ų4984.7 Ų84.730%0.30149%0.492SS..EExtended strand (participates in β ladder)trans-92.3140.8170.354.20000109.8S182 S236 G237 P239S182-T184 PolarHBondContact O-N 3.37Å; T184-S236 WeakPolarHBondContact O-CA 3.28Å; T184-G237 PolarHBondContact N-O 3.2Å; T184-G237 PolarHBondContact O-N 3.12Å; T184-G237 VanDerWaalsContact O-O 3.08Å; T184-G237 PolarHBondContact OG1-O 2.89Å; T184-G237 VanDerWaalsContact OG1-O 3.11Å; T184-P239 HydrophobicContact CG2-CB 4Å; T184-P239 HydrophobicContact CG2-CG 4.36Å; T184-P239 VanDerWaalsContact OG1-CA 3.27Å; T184-P239 WeakPolarHBondContact OG1-CA 3.46Å
185T88.2Confident72Confident72 Ų7278.5 Ų78.544%0.44246%0.455SS..EExtended strand (participates in β ladder)trans-118.5123.2173.3-58.90000108.2R234 I235T185-R234 HydrophobicContact CG2-CG 3.27Å; T185-I235 CarbonylContact C-O 3.56Å; T185-I235 WeakPolarHBondContact CA-O 3.47Å
186I88Confident74Confident46 Ų4674.3 Ų74.324%0.23644%0.435CS..EExtended strand (participates in β ladder)trans-113.9152.2173.765.1172.3000109.4R234 I235 V242 R246I186-R234 CarbonylContact O-C 3.5Å; I186-R234 WeakPolarHBondContact O-CA 3.49Å; I186-I235 HydrophobicContact CD1-CB 4.29Å; I186-I235 HydrophobicContact CD1-CD1 4.39Å; I186-I235 HydrophobicContact CG1-CB 3.85Å; I186-I235 PolarHBondContact N-O 3.32Å; I186-I235 PolarHBondContact O-N 3.25Å; I186-V242 HydrophobicContact CB-CG1 4.22Å; I186-V242 HydrophobicContact CD1-CG1 3.3Å; I186-V242 HydrophobicContact CG1-CG1 3.37Å; I186-V242 HydrophobicContact CG2-CG1 3.9Å; I186-R246 HydrophobicContact CD1-CB 3.73Å; I186-R246 HydrophobicContact CD1-CG 4.01Å
187E89.1Confident75.8Confident132 Ų13273.2 Ų73.262%0.61742%0.419SS*.EExtended strand (participates in β ladder)trans-118.9130.4173.9-64.7-175.3159.100108.4L233 R234E187-L233 WeakPolarHBondContact CA-O 3.45Å; E187-R234 HydrophobicContact CG-CB 4.34Å; E187-R234 HydrophobicContact CG-CG 4.02Å
188M86.1Confident77.7Confident22 Ų2267 Ų6711%0.10840%0.395CS..EExtended strand (participates in β ladder)trans-125.5144.4174.268.1-178.8-65.200110.4V190 L233 I235 R246 V249 I253M188-V190 HydrophobicContact CG-CG2 4.32Å; M188-L233 HydrophobicContact CG-CB 3.96Å; M188-L233 HydrophobicContact CG-CD2 4.2Å; M188-L233 HydrophobicContact CG-CG 4.45Å; M188-L233 PolarHBondContact N-O 2.77Å; M188-L233 PolarHBondContact O-N 3.05Å; M188-L233 HydrophobicContact SD-CD2 4.11Å; M188-I235 HydrophobicContact SD-CD1 3.81Å; M188-R246 HydrophobicContact CE-CG 4.45Å; M188-R246 HydrophobicContact SD-CG 3.98Å; M188-V249 HydrophobicContact CE-CB 4.16Å; M188-V249 HydrophobicContact CE-CG1 3.67Å; M188-V249 HydrophobicContact SD-CB 3.97Å; M188-V249 HydrophobicContact SD-CG1 3.7Å; M188-I253 HydrophobicContact CE-CD1 3.95Å
189M85.6Confident79.9Confident125 Ų12561.9 Ų61.962%0.61637%0.367SS*.EExtended strand (participates in β ladder)trans-86.1123.1178.8-60.6-146.594.400109.9D230M189-D230 HydrophobicContact CB-CB 4.13Å; M189-D230 HydrophobicContact CE-CB 3.93Å; M189-D230 HydrophobicContact SD-CB 4.32Å
190V85.6Confident81.6Confident0 Ų059.8 Ų59.80%035%0.354CS..EExtended strand (participates in β ladder)trans-113.7120.1178.9-177.90000108.7M188 G192 A195 V198 K231 L233 V249 I253M188-V190 HydrophobicContact CG-CG2 4.32Å; V190-G192 PolarHBondContact O-N 3.43Å; V190-A195 HydrophobicContact CG1-CB 4.16Å; V190-V198 HydrophobicContact CG1-CG2 3.97Å; V190-K231 PolarHBondContact N-O 3.09Å; V190-K231 PolarHBondContact O-N 3.42Å; V190-L233 HydrophobicContact CG2-CB 3.64Å; V190-L233 HydrophobicContact CG2-CD2 4.13Å; V190-V249 HydrophobicContact CG2-CG1 4.48Å; V190-I253 HydrophobicContact CB-CD1 4.13Å; V190-I253 HydrophobicContact CG1-CD1 3.74Å; V190-I253 HydrophobicContact CG1-CG1 4.06Å; V190-I253 HydrophobicContact CG2-CD1 3.74Å
191P84.1Confident83.1Confident39 Ų3956.2 Ų56.225%0.25332%0.324SS..EExtended strand (participates in β ladder)trans-52.6133.4179-28.135.1000111.8L193 K194 A195 D230 I253P191-L193 PolarHBondContact O-N 3.13Å; P191-L193 VanDerWaalsContact O-N 3.13Å; P191-K194 HydrophobicContact CB-CB 4.3Å; P191-K194 HydrophobicContact CB-CD 4.29Å; P191-K194 HydrophobicContact CB-CG 4.34Å; P191-K194 HydrophobicContact CG-CD 4.22Å; P191-K194 CarbonylContact O-C 3.55Å; P191-K194 WeakPolarHBondContact O-CA 3.42Å; P191-K194 PolarHBondContact O-N 3.44Å; P191-A195 PolarHBondContact O-N 3.45Å; P191-D230 VanDerWaalsContact CA-OD1 3.23Å; P191-D230 WeakPolarHBondContact CA-OD1 3.42Å; P191-I253 HydrophobicContact CG-CG2 4.41Å
192G80.3Confident84.3Confident16 Ų1661.4 Ų61.417%0.16535%0.345CS..Hα-helixtrans-54.3-37.3-174.500000113.5V190 K194 A195 E229V190-G192 PolarHBondContact O-N 3.43Å; G192-K194 VanDerWaalsContact C-N 3.28Å; G192-K194 PolarHBondContact O-N 3.38Å; G192-A195 PolarHBondContact O-N 2.63Å; G192-E229 WeakPolarHBondContact CA-O 3.18Å; G192-E229 PolarHBondContact N-O 2.86Å
193L80.4Confident85.1Confident146 Ų14657.4 Ų57.476%0.76432%0.319SS*.Hα-helixtrans-65.6-27.7175.3-61.8174.9000113.4P191P191-L193 PolarHBondContact O-N 3.13Å; P191-L193 VanDerWaalsContact O-N 3.13Å
194K84.8Confident85.5Confident26 Ų2656.6 Ų56.611%0.11331%0.313CS..Hα-helixtrans-100.6-13.1-179.6-62.8-179.6178.6177.40113.4P191 G192 G196 L197 V198 I253 D257P191-K194 HydrophobicContact CB-CB 4.3Å; P191-K194 HydrophobicContact CB-CD 4.29Å; P191-K194 HydrophobicContact CB-CG 4.34Å; P191-K194 HydrophobicContact CG-CD 4.22Å; P191-K194 CarbonylContact O-C 3.55Å; P191-K194 WeakPolarHBondContact O-CA 3.42Å; P191-K194 PolarHBondContact O-N 3.44Å; G192-K194 VanDerWaalsContact C-N 3.28Å; G192-K194 PolarHBondContact O-N 3.38Å; K194-G196 PolarHBondContact O-N 2.99Å; K194-L197 HydrophobicContact CB-CD1 4.28Å; K194-L197 HydrophobicContact CG-CD1 4.29Å; K194-L197 VanDerWaalsContact O-CB 3.29Å; K194-L197 WeakPolarHBondContact O-CB 3.25Å; K194-L197 PolarHBondContact O-N 3.25Å; K194-V198 PolarHBondContact O-N 2.94Å; K194-I253 HydrophobicContact CD-CB 4.44Å; K194-I253 HydrophobicContact CD-CG2 3.64Å; K194-I253 VanDerWaalsContact CD-O 3.27Å; K194-I253 WeakPolarHBondContact CD-O 3.45Å; K194-I253 VanDerWaalsContact CE-O 3.28Å; K194-I253 WeakPolarHBondContact CE-O 3.45Å; K194-I253 PolarHBondContact NZ-O 3.29Å; K194-D257 VanDerWaalsContact CE-CG 3.49Å; K194-D257 WeakPolarHBondContact CE-OD1 3.48Å; K194-D257 IonicContact NZ-OD1 2.76Å; K194-D257 PolarHBondContact NZ-OD1 3.15Å; K194-D257 IonicContact NZ-OD2 2.58Å; K194-D257 PolarHBondContact NZ-OD2 2.93Å
195A86.3Confident85.7Confident4 Ų456.2 Ų56.23%0.03331%0.31CS..Hα-helixtrans-56.3-38.4175.500000111.3V190 P191 G192 L197 V198 I199 L219 K231V190-A195 HydrophobicContact CG1-CB 4.16Å; P191-A195 PolarHBondContact O-N 3.45Å; G192-A195 PolarHBondContact O-N 2.63Å; A195-L197 PolarHBondContact O-N 3.27Å; A195-V198 PolarHBondContact O-N 3.25Å; A195-V198 VanDerWaalsContact O-N 3.15Å; A195-I199 VanDerWaalsContact O-CG1 3.22Å; A195-I199 WeakPolarHBondContact O-CG1 3.41Å; A195-I199 PolarHBondContact O-N 3.18Å; A195-L219 HydrophobicContact CB-CD2 4.07Å; A195-K231 HydrophobicContact CB-CD 4.28Å
196G85.9Confident85.8Confident45 Ų4553.6 Ų53.646%0.46429%0.294SS..Hα-helixtrans-60.4-29.7174.800000114.1K194 G200K194-G196 PolarHBondContact O-N 2.99Å; G196-G200 WeakPolarHBondContact O-CA 3.46Å; G196-G200 PolarHBondContact O-N 2.95Å
197L85.7Confident85.9Confident49 Ų4958 Ų5826%0.25731%0.311SS..Hα-helixtrans-74.4-36.8176-61.6167.3000112K194 A195 R256K194-L197 HydrophobicContact CB-CD1 4.28Å; K194-L197 HydrophobicContact CG-CD1 4.29Å; K194-L197 VanDerWaalsContact O-CB 3.29Å; K194-L197 WeakPolarHBondContact O-CB 3.25Å; K194-L197 PolarHBondContact O-N 3.25Å; A195-L197 PolarHBondContact O-N 3.27Å; L197-R256 HydrophobicContact CD1-CB 3.69Å; L197-R256 HydrophobicContact CD1-CG 4.1Å
198V88Confident86Confident3 Ų356 Ų562%0.01831%0.305CS..Hα-helixtrans-71.7-40.4176.9-179.80000110.7V190 K194 A195 I206 L233 V249 I253V190-V198 HydrophobicContact CG1-CG2 3.97Å; K194-V198 PolarHBondContact O-N 2.94Å; A195-V198 PolarHBondContact O-N 3.25Å; A195-V198 VanDerWaalsContact O-N 3.15Å; V198-I206 WeakPolarHBondContact O-CB 3.5Å; V198-I206 PolarHBondContact O-N 3.32Å; V198-I206 VanDerWaalsContact O-N 3.15Å; V198-L233 HydrophobicContact CG1-CD2 4.18Å; V198-V249 HydrophobicContact CG1-CG1 3.97Å; V198-V249 HydrophobicContact CG1-CG2 4.26Å; V198-V249 HydrophobicContact CG2-CG1 4.04Å; V198-I253 HydrophobicContact CG2-CD1 4.36Å; V198-I253 HydrophobicContact CG2-CG1 3.86Å
199I86.7Confident86.3Confident44 Ų4455.5 Ų55.523%0.22630%0.302CS..Hα-helixtrans-70-49.1177.5-59.4165.8000110.7A195 G203 T205 I206 L219A195-I199 VanDerWaalsContact O-CG1 3.22Å; A195-I199 WeakPolarHBondContact O-CG1 3.41Å; A195-I199 PolarHBondContact O-N 3.18Å; I199-G203 CarbonylContact O-C 3.56Å; I199-G203 WeakPolarHBondContact O-CA 3.5Å; I199-T205 PolarHBondContact O-N 3.38Å; I199-I206 HydrophobicContact CG2-CG2 4.18Å; I199-I206 PolarHBondContact O-N 3.3Å; I199-I206 VanDerWaalsContact O-N 3.12Å; I199-L219 HydrophobicContact CD1-CD2 3.39Å; I199-L219 HydrophobicContact CG1-CD2 4Å
200G85.6Confident86.5Confident9 Ų952 Ų529%0.09328%0.284CS..  trans81.2155.9-166.100000113G196 N202 G203 Y265G196-G200 WeakPolarHBondContact O-CA 3.46Å; G196-G200 PolarHBondContact O-N 2.95Å; G200-N202 PolarHBondContact O-N 3.4Å; G200-G203 PolarHBondContact O-N 3.12Å; G200-Y265 WeakPolarHBondContact CA-OH 3.09Å
201K81.9Confident86.7Confident86 Ų8658.9 Ų58.937%0.37432%0.317SS..THydrogen-bonded Turntrans-35.9-43.5175.3-78.8172.6-171.2173.70114.7M263 Y265K201-M263 HydrophobicContact CD-SD 4.02Å; K201-M263 WeakPolarHBondContact CE-SD 3.41Å; K201-M263 HydrophobicContact CG-CE 3.68Å; K201-M263 HydrophobicContact CG-SD 3.58Å; K201-M263 VanDerWaalsContact CG-SD 3.58Å; K201-M263 PolarHBondContact NZ-O 3.27Å; K201-Y265 HydrophobicContact CB-CD2 4.31Å; K201-Y265 HydrophobicContact CB-CE1 4.2Å; K201-Y265 HydrophobicContact CB-CE2 3.52Å; K201-Y265 VanDerWaalsContact CB-CZ 3.46Å; K201-Y265 HydrophobicContact CD-CD1 4.12Å; K201-Y265 HydrophobicContact CD-CD2 3.13Å; K201-Y265 HydrophobicContact CD-CE1 4.25Å; K201-Y265 HydrophobicContact CD-CE2 3.28Å; K201-Y265 HydrophobicContact CD-CG 3.58Å; K201-Y265 HydrophobicContact CG-CD2 3.59Å; K201-Y265 HydrophobicContact CG-CE1 4.49Å; K201-Y265 HydrophobicContact CG-CE2 3.14Å; K201-Y265 HydrophobicContact CG-CG 4.41Å; K201-Y265 VanDerWaalsContact N-CZ 3.34Å; K201-Y265 PolarHBondContact N-OH 2.92Å
202N83.9Confident87Confident143 Ų14362.6 Ų62.677%0.76533%0.331SS*.THydrogen-bonded Turntrans-122.620.5-177.1-64.6-40.3000113.3G200 E204G200-N202 PolarHBondContact O-N 3.4Å; N202-E204 PolarHBondContact O-N 3.04Å
203G85.1Confident87.4Confident19 Ų1962 Ų6220%0.19632%0.324CS..SBendtrans69.79.9-168.200000113.4I199 G200 I206 K207I199-G203 CarbonylContact O-C 3.56Å; I199-G203 WeakPolarHBondContact O-CA 3.5Å; G200-G203 PolarHBondContact O-N 3.12Å; G203-I206 VanDerWaalsContact O-CG2 3.23Å; G203-I206 WeakPolarHBondContact O-CG2 3.22Å; G203-K207 WeakPolarHBondContact O-CB 3.27Å; G203-K207 PolarHBondContact O-N 3.44Å
204E88.2Confident87.8Confident113 Ų11356.8 Ų56.853%0.52831%0.305SS..Hα-helixtrans-64.6-41.3-177.1-175.1-179.8-178.400111.7N202 K207 N208N202-E204 PolarHBondContact O-N 3.04Å; E204-K207 PolarHBondContact O-N 3.26Å; E204-N208 WeakPolarHBondContact O-CB 3.32Å; E204-N208 PolarHBondContact O-N 3.34Å
205T89.5Confident88.2Confident41 Ų4156 Ų5625%0.25230%0.302SS..Hα-helixtrans-68.4-48.3-178.6-53.10000111I199 K207 N208 L209 L252I199-T205 PolarHBondContact O-N 3.38Å; T205-K207 VanDerWaalsContact C-N 3.29Å; T205-K207 PolarHBondContact O-N 3.15Å; T205-N208 PolarHBondContact O-N 2.85Å; T205-L209 HydrophobicContact CG2-CD1 4.16Å; T205-L209 WeakPolarHBondContact O-CB 3.32Å; T205-L209 VanDerWaalsContact O-CG 3.29Å; T205-L209 WeakPolarHBondContact O-CG 3.29Å; T205-L209 PolarHBondContact O-N 2.83Å; T205-L252 HydrophobicContact CG2-CD1 4.31Å
206I90.6Very high88.4Confident17 Ų1760 Ų609%0.08732%0.319CS..Hα-helixtrans-65.8-33.6176.3-167174.8000111.5V198 I199 G203 Q210 M217 L233V198-I206 WeakPolarHBondContact O-CB 3.5Å; V198-I206 PolarHBondContact O-N 3.32Å; V198-I206 VanDerWaalsContact O-N 3.15Å; I199-I206 HydrophobicContact CG2-CG2 4.18Å; I199-I206 PolarHBondContact O-N 3.3Å; I199-I206 VanDerWaalsContact O-N 3.12Å; G203-I206 VanDerWaalsContact O-CG2 3.23Å; G203-I206 WeakPolarHBondContact O-CG2 3.22Å; I206-Q210 WeakPolarHBondContact O-CB 3.47Å; I206-Q210 WeakPolarHBondContact O-CG 3.26Å; I206-Q210 PolarHBondContact O-N 3.16Å; I206-Q210 PolarHBondContact O-NE2 3.47Å; I206-M217 HydrophobicContact CD1-CB 4.05Å; I206-M217 HydrophobicContact CG1-CB 3.93Å; I206-M217 HydrophobicContact CG1-SD 4.17Å; I206-L233 HydrophobicContact CD1-CD1 4.13Å
207K91Very high88.6Confident138 Ų13858.1 Ų58.160%0.630%0.298SS*.Hα-helixtrans-67.3-44.7175.5-173.7-179.1177.3-169.90111.3G203 E204 T205 Q210 E211G203-K207 WeakPolarHBondContact O-CB 3.27Å; G203-K207 PolarHBondContact O-N 3.44Å; E204-K207 PolarHBondContact O-N 3.26Å; T205-K207 VanDerWaalsContact C-N 3.29Å; T205-K207 PolarHBondContact O-N 3.15Å; K207-Q210 WeakPolarHBondContact O-CB 3.16Å; K207-Q210 PolarHBondContact O-N 2.97Å; K207-E211 WeakPolarHBondContact O-CB 3.28Å; K207-E211 PolarHBondContact O-N 3.02Å
208N91.5Very high88.8Confident91 Ų9158.6 Ų58.649%0.48730%0.303SS..Hα-helixtrans-63.2-43.3176.3-170.954.8000111.4E204 T205 Q210 E211 E212E204-N208 WeakPolarHBondContact O-CB 3.32Å; E204-N208 PolarHBondContact O-N 3.34Å; T205-N208 PolarHBondContact O-N 2.85Å; N208-Q210 VanDerWaalsContact C-N 3.28Å; N208-Q210 PolarHBondContact O-N 3.1Å; N208-E211 PolarHBondContact O-N 3.3Å; N208-E212 WeakPolarHBondContact O-CB 3.2Å; N208-E212 PolarHBondContact O-N 3.01Å
209L90.7Very high88.7Confident11 Ų1159.7 Ų59.76%0.05831%0.308CS..Hα-helixtrans-61-36.9175.5-74.5165.6000112.7T205 N213 M217 A248 V249 L252T205-L209 HydrophobicContact CG2-CD1 4.16Å; T205-L209 WeakPolarHBondContact O-CB 3.32Å; T205-L209 VanDerWaalsContact O-CG 3.29Å; T205-L209 WeakPolarHBondContact O-CG 3.29Å; T205-L209 PolarHBondContact O-N 2.83Å; L209-N213 WeakPolarHBondContact O-CB 3.25Å; L209-N213 PolarHBondContact O-N 2.93Å; L209-N213 PolarHBondContact O-ND2 3.31Å; L209-M217 HydrophobicContact CB-CE 3.78Å; L209-M217 HydrophobicContact CB-SD 3.78Å; L209-A248 HydrophobicContact CD2-CB 3.91Å; L209-V249 HydrophobicContact CD1-CG2 4.23Å; L209-L252 HydrophobicContact CD1-CD1 3.59Å; L209-L252 HydrophobicContact CD2-CD1 4.2Å; L209-L252 HydrophobicContact CG-CD1 4.39Å
210Q90.9Very high88.5Confident51 Ų5160.4 Ų60.424%0.23831%0.312CS..Hα-helixtrans-67.1-47.3174.6-77.2175.29100112I206 K207 N208 G214 V215 M217I206-Q210 WeakPolarHBondContact O-CB 3.47Å; I206-Q210 WeakPolarHBondContact O-CG 3.26Å; I206-Q210 PolarHBondContact O-N 3.16Å; I206-Q210 PolarHBondContact O-NE2 3.47Å; K207-Q210 WeakPolarHBondContact O-CB 3.16Å; K207-Q210 PolarHBondContact O-N 2.97Å; N208-Q210 VanDerWaalsContact C-N 3.28Å; N208-Q210 PolarHBondContact O-N 3.1Å; Q210-G214 WeakPolarHBondContact O-CA 2.99Å; Q210-G214 PolarHBondContact O-N 3.43Å; Q210-V215 CarbonylContact C-O 3.58Å; Q210-V215 VanDerWaalsContact CA-O 3.23Å; Q210-V215 WeakPolarHBondContact CA-O 3.27Å; Q210-V215 WeakPolarHBondContact CB-O 3.47Å; Q210-V215 VanDerWaalsContact CG-O 3.31Å; Q210-V215 WeakPolarHBondContact CG-O 3.37Å; Q210-V215 PolarHBondContact O-N 2.97Å; Q210-M217 HydrophobicContact CG-CB 3.49Å; Q210-M217 VanDerWaalsContact CG-CB 3.49Å; Q210-M217 HydrophobicContact CG-CG 3.49Å; Q210-M217 VanDerWaalsContact CG-CG 3.49Å; Q210-M217 HydrophobicContact CG-SD 3.89Å; Q210-M217 PolarHBondContact OE1-O 3.33Å
211E89.9Confident87.7Confident145 Ų14564.4 Ų64.468%0.67833%0.328SS*.Hα-helixtrans-66.8-47-179.1-174.7169.3-177.900112.1K207 N208 N213 G214K207-E211 WeakPolarHBondContact O-CB 3.28Å; K207-E211 PolarHBondContact O-N 3.02Å; N208-E211 PolarHBondContact O-N 3.3Å; E211-N213 VanDerWaalsContact C-N 3.35Å; E211-N213 PolarHBondContact O-N 3.02Å; E211-G214 PolarHBondContact O-N 3.48Å
212E89.3Confident86.7Confident117 Ų11768.7 Ų68.755%0.54735%0.35SS..Hα-helixtrans-61.8-40.9-179.1-173.8-170.2154.400112.3N208N208-E212 WeakPolarHBondContact O-CB 3.2Å; N208-E212 PolarHBondContact O-N 3.01Å
213N89.6Confident85.5Confident5 Ų564 Ų643%0.02733%0.328CS..Hα-helixtrans-91.9-14.2-178-64.1-78000112.6L209 E211 V215 R241 A245L209-N213 WeakPolarHBondContact O-CB 3.25Å; L209-N213 PolarHBondContact O-N 2.93Å; L209-N213 PolarHBondContact O-ND2 3.31Å; E211-N213 VanDerWaalsContact C-N 3.35Å; E211-N213 PolarHBondContact O-N 3.02Å; N213-V215 VanDerWaalsContact C-N 3.34Å; N213-V215 HydrophobicContact CB-CG1 4.17Å; N213-V215 HydrophobicContact CB-CG2 3.98Å; N213-R241 WeakPolarHBondContact O-CB 3.37Å; N213-R241 VanDerWaalsContact O-CD 3.26Å; N213-R241 WeakPolarHBondContact O-CD 3.44Å; N213-R241 WeakPolarHBondContact O-CG 3.27Å; N213-R241 PolarHBondContact O-NH1 3.03Å; N213-A245 HydrophobicContact CB-CB 3.93Å
214G88.3Confident84.4Confident35 Ų3570.3 Ų70.336%0.36136%0.357SS..THydrogen-bonded Turntrans6538.7-172.300000112.2Q210 E211Q210-G214 WeakPolarHBondContact O-CA 2.99Å; Q210-G214 PolarHBondContact O-N 3.43Å; E211-G214 PolarHBondContact O-N 3.48Å
215V93Very high82.9Confident9 Ų969.9 Ų69.96%0.05536%0.358CS..  trans-121.6154.1178.8-57.30000110Q210 N213 M217 I235 S236 R241 V242 A245Q210-V215 CarbonylContact C-O 3.58Å; Q210-V215 VanDerWaalsContact CA-O 3.23Å; Q210-V215 WeakPolarHBondContact CA-O 3.27Å; Q210-V215 WeakPolarHBondContact CB-O 3.47Å; Q210-V215 VanDerWaalsContact CG-O 3.31Å; Q210-V215 WeakPolarHBondContact CG-O 3.37Å; Q210-V215 PolarHBondContact O-N 2.97Å; N213-V215 VanDerWaalsContact C-N 3.34Å; N213-V215 HydrophobicContact CB-CG1 4.17Å; N213-V215 HydrophobicContact CB-CG2 3.98Å; V215-M217 HydrophobicContact CG2-CE 3.4Å; V215-M217 HydrophobicContact CG2-CG 3.96Å; V215-I235 HydrophobicContact CB-CG2 4.06Å; V215-I235 HydrophobicContact CG2-CG2 3.86Å; V215-S236 CarbonylContact C-O 3.58Å; V215-S236 WeakPolarHBondContact CA-O 3.35Å; V215-R241 HydrophobicContact CG1-CB 3.67Å; V215-V242 HydrophobicContact CG1-CG2 4.03Å; V215-A245 HydrophobicContact CG1-CB 4.2Å; V215-A245 HydrophobicContact CG2-CB 3.63Å
216K92Very high81.4Confident88 Ų8873.6 Ų73.638%0.38338%0.383SS..EExtended strand (participates in β ladder)trans-97.2119172.1172.9175.4-173.6171.50109.4V218 I235 S236K216-V218 HydrophobicContact CG-CG2 4.24Å; K216-I235 CarbonylContact O-C 3.53Å; K216-S236 WeakPolarHBondContact CB-OG 3.26Å; K216-S236 PolarHBondContact N-O 3.14Å; K216-S236 PolarHBondContact O-N 3.12Å; K216-S236 PolarHBondContact O-OG 3.48Å
217M89.5Confident80.1Confident6 Ų674.1 Ų74.13%0.0339%0.388CS..EExtended strand (participates in β ladder)trans-112126.9179.7-59.9177.2-178.600109.6I206 L209 Q210 V215 L233 R234 I235 A245 V249I206-M217 HydrophobicContact CD1-CB 4.05Å; I206-M217 HydrophobicContact CG1-CB 3.93Å; I206-M217 HydrophobicContact CG1-SD 4.17Å; L209-M217 HydrophobicContact CB-CE 3.78Å; L209-M217 HydrophobicContact CB-SD 3.78Å; Q210-M217 HydrophobicContact CG-CB 3.49Å; Q210-M217 VanDerWaalsContact CG-CB 3.49Å; Q210-M217 HydrophobicContact CG-CG 3.49Å; Q210-M217 VanDerWaalsContact CG-CG 3.49Å; Q210-M217 HydrophobicContact CG-SD 3.89Å; Q210-M217 PolarHBondContact OE1-O 3.33Å; V215-M217 HydrophobicContact CG2-CE 3.4Å; V215-M217 HydrophobicContact CG2-CG 3.96Å; M217-L233 HydrophobicContact CB-CD1 4.38Å; M217-R234 CarbonylContact C-O 3.52Å; M217-R234 WeakPolarHBondContact CA-O 3.16Å; M217-I235 HydrophobicContact CE-CG2 4.47Å; M217-I235 HydrophobicContact CG-CG1 4.21Å; M217-I235 HydrophobicContact CG-CG2 4.18Å; M217-A245 HydrophobicContact CE-CB 3.49Å; M217-A245 VanDerWaalsContact CE-CB 3.49Å; M217-V249 HydrophobicContact CE-CG2 4.41Å; M217-V249 HydrophobicContact SD-CG2 4.42Å
218V89.8Confident78.9Confident60 Ų6072.5 Ų72.536%0.36439%0.391SS..EExtended strand (participates in β ladder)trans-130.9115.9178.3-176.90000108.5K216 I220 R234K216-V218 HydrophobicContact CG-CG2 4.24Å; V218-I220 PolarHBondContact O-N 3.33Å; V218-R234 PolarHBondContact N-O 3.34Å; V218-R234 PolarHBondContact O-N 3.24Å
219L85.9Confident77.9Confident25 Ų2573.2 Ų73.213%0.13139%0.391CS..EExtended strand (participates in β ladder)trans-79.3114.6170.8-172.173.6000108.5A195 I199 Q221 K231 L233A195-L219 HydrophobicContact CB-CD2 4.07Å; I199-L219 HydrophobicContact CD1-CD2 3.39Å; I199-L219 HydrophobicContact CG1-CD2 4Å; L219-Q221 HydrophobicContact CD2-CG 4.28Å; L219-Q221 HydrophobicContact CG-CG 4.46Å; L219-Q221 PolarHBondContact O-N 3.36Å; L219-K231 HydrophobicContact CD1-CB 3.87Å; L219-K231 HydrophobicContact CD2-CD 4.33Å; L219-K231 HydrophobicContact CG-CB 4.35Å; L219-L233 HydrophobicContact CB-CD1 4.08Å; L219-L233 HydrophobicContact CD1-CB 4Å; L219-L233 HydrophobicContact CD1-CD1 4.11Å
220I82.9Confident77.5Confident59 Ų5976.7 Ų76.730%0.30341%0.41SS..  trans-79.2104.5177.4-60171.5000107.1V218 Q222 P232 R234V218-I220 PolarHBondContact O-N 3.33Å; I220-Q222 HydrophobicContact CG2-CG 4.45Å; I220-P232 HydrophobicContact CB-CG 4.06Å; I220-P232 HydrophobicContact CG2-CG 4.38Å; I220-P232 PolarHBondContact N-O 3.2Å; I220-R234 HydrophobicContact CD1-CB 4.26Å
221Q68.9Low77.2Confident93 Ų9375.3 Ų75.344%0.43540%0.403SS..  trans-90.9105.1172-60.6-177.411.500108.1L219 S223L219-Q221 HydrophobicContact CD2-CG 4.28Å; L219-Q221 HydrophobicContact CG-CG 4.46Å; L219-Q221 PolarHBondContact O-N 3.36Å; Q221-S223 PolarHBondContact O-N 3.26Å
222Q61.1Low77Confident177 Ų17769.6 Ų69.683%0.82738%0.379SS*.SBendtrans-70.6-18.2170.3-70.2-178.9-62.600111.7I220I220-Q222 HydrophobicContact CG2-CG 4.45Å
223S58.5Low77.1Confident43 Ų4364 Ų6430%0.30135%0.353SS..  trans-149.5146.2170.571.60000110.9Q221 N225Q221-S223 PolarHBondContact O-N 3.26Å; S223-N225 PolarHBondContact O-N 2.97Å
224N60.4Low77.2Confident152 Ų15268.4 Ų68.481%0.81337%0.369SS*.SBendtrans-768.2175.9-163.525.6000112.5
225N58.2Low77.3Confident104 Ų10466.8 Ų66.856%0.55635%0.352SS*.SBendtrans-89141.9-178.1-147.827.8000109.4S223 T227 K231S223-N225 PolarHBondContact O-N 2.97Å; N225-T227 HydrophobicContact CB-CG2 4.39Å; N225-T227 PolarHBondContact O-N 2.91Å; N225-T227 PolarHBondContact O-OG1 3.37Å; N225-K231 PolarHBondContact O-NZ 3.02Å; N225-K231 VanDerWaalsContact O-NZ 3.11Å
226P57.9Low77.2Confident119 Ų11966.9 Ų66.977%0.77335%0.353SS*.  trans-73.275168.930.6-34.2000109
227T63.2Low77.1Confident29 Ų2963.2 Ų63.218%0.17834%0.34CS..  trans-79.3143.3168.6380000109.4N225 E229N225-T227 HydrophobicContact CB-CG2 4.39Å; N225-T227 PolarHBondContact O-N 2.91Å; N225-T227 PolarHBondContact O-OG1 3.37Å; T227-E229 WeakPolarHBondContact CB-OE1 3.23Å; T227-E229 WeakPolarHBondContact CG2-OE1 3.35Å; T227-E229 PolarHBondContact O-N 3.3Å; T227-E229 VanDerWaalsContact OG1-CD 3.26Å; T227-E229 VanDerWaalsContact OG1-CG 3.31Å; T227-E229 WeakPolarHBondContact OG1-CG 3.31Å; T227-E229 PolarHBondContact OG1-OE1 3.4Å
228P65Low77.1Confident104 Ų10466.2 Ų66.268%0.67535%0.354SS*.SBendtrans-69.9-2.2174.129.9-35.1000112.9
229E71.6Confident77Confident105 Ų10566.6 Ų66.649%0.49136%0.358SS..SBendtrans-69.2152.5-179.672.7-159.2155.400112.5G192 T227 K231G192-E229 WeakPolarHBondContact CA-O 3.18Å; G192-E229 PolarHBondContact N-O 2.86Å; T227-E229 WeakPolarHBondContact CB-OE1 3.23Å; T227-E229 WeakPolarHBondContact CG2-OE1 3.35Å; T227-E229 PolarHBondContact O-N 3.3Å; T227-E229 VanDerWaalsContact OG1-CD 3.26Å; T227-E229 VanDerWaalsContact OG1-CG 3.31Å; T227-E229 WeakPolarHBondContact OG1-CG 3.31Å; T227-E229 PolarHBondContact OG1-OE1 3.4Å; E229-K231 PolarHBondContact O-N 3.02Å
230D82.2Confident77.2Confident84 Ų8468.9 Ų68.945%0.44938%0.381SS..EExtended strand (participates in β ladder)trans-65126.1177.6-68.6-50.8000111M189 P191M189-D230 HydrophobicContact CB-CB 4.13Å; M189-D230 HydrophobicContact CE-CB 3.93Å; M189-D230 HydrophobicContact SD-CB 4.32Å; P191-D230 VanDerWaalsContact CA-OD1 3.23Å; P191-D230 WeakPolarHBondContact CA-OD1 3.42Å
231K83.7Confident77.6Confident23 Ų2370.1 Ų70.110%0.138%0.381CS..EExtended strand (participates in β ladder)trans-96.8124.3177.2-61.7-165.5178-155.40109.8V190 A195 L219 N225 E229 L233V190-K231 PolarHBondContact N-O 3.09Å; V190-K231 PolarHBondContact O-N 3.42Å; A195-K231 HydrophobicContact CB-CD 4.28Å; L219-K231 HydrophobicContact CD1-CB 3.87Å; L219-K231 HydrophobicContact CD2-CD 4.33Å; L219-K231 HydrophobicContact CG-CB 4.35Å; N225-K231 PolarHBondContact O-NZ 3.02Å; N225-K231 VanDerWaalsContact O-NZ 3.11Å; E229-K231 PolarHBondContact O-N 3.02Å; K231-L233 PolarHBondContact O-N 2.85Å
232P87.2Confident78.7Confident24 Ų2465.8 Ų65.816%0.15636%0.361CS..EExtended strand (participates in β ladder)trans-69.9121.3177.716.5-17.9000111.2I220I220-P232 HydrophobicContact CB-CG 4.06Å; I220-P232 HydrophobicContact CG2-CG 4.38Å; I220-P232 PolarHBondContact N-O 3.2Å
233L90.4Very high80.2Confident1 Ų161.5 Ų61.51%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-99.2117.8171179.970.4000109.4E187 M188 V190 V198 I206 M217 L219 K231 I235 V249E187-L233 WeakPolarHBondContact CA-O 3.45Å; M188-L233 HydrophobicContact CG-CB 3.96Å; M188-L233 HydrophobicContact CG-CD2 4.2Å; M188-L233 HydrophobicContact CG-CG 4.45Å; M188-L233 PolarHBondContact N-O 2.77Å; M188-L233 PolarHBondContact O-N 3.05Å; M188-L233 HydrophobicContact SD-CD2 4.11Å; V190-L233 HydrophobicContact CG2-CB 3.64Å; V190-L233 HydrophobicContact CG2-CD2 4.13Å; V198-L233 HydrophobicContact CG1-CD2 4.18Å; I206-L233 HydrophobicContact CD1-CD1 4.13Å; M217-L233 HydrophobicContact CB-CD1 4.38Å; L219-L233 HydrophobicContact CB-CD1 4.08Å; L219-L233 HydrophobicContact CD1-CB 4Å; L219-L233 HydrophobicContact CD1-CD1 4.11Å; K231-L233 PolarHBondContact O-N 2.85Å; L233-I235 HydrophobicContact CD2-CD1 4.21Å; L233-I235 HydrophobicContact CD2-CG1 4.24Å; L233-I235 HydrophobicContact CG-CG1 4.19Å; L233-V249 HydrophobicContact CD2-CB 4.43Å; L233-V249 HydrophobicContact CD2-CG1 3.74Å; L233-V249 HydrophobicContact CD2-CG2 4.01Å
234R90.9Very high81.7Confident97 Ų9765.5 Ų65.537%0.36635%0.353SS..EExtended strand (participates in β ladder)trans-95.8119.1177.9-166.6175.999.2178.86.9110.5T185 I186 E187 M217 V218 I220T185-R234 HydrophobicContact CG2-CG 3.27Å; I186-R234 CarbonylContact O-C 3.5Å; I186-R234 WeakPolarHBondContact O-CA 3.49Å; E187-R234 HydrophobicContact CG-CB 4.34Å; E187-R234 HydrophobicContact CG-CG 4.02Å; M217-R234 CarbonylContact C-O 3.52Å; M217-R234 WeakPolarHBondContact CA-O 3.16Å; V218-R234 PolarHBondContact N-O 3.34Å; V218-R234 PolarHBondContact O-N 3.24Å; I220-R234 HydrophobicContact CD1-CB 4.26Å
235I91.9Very high83.3Confident0 Ų058.2 Ų58.20%031%0.314CS..EExtended strand (participates in β ladder)trans-111.7121.2178.7-49.9178.2000107.9T185 I186 M188 V215 K216 M217 L233 V242 A245 R246 V249T185-I235 CarbonylContact C-O 3.56Å; T185-I235 WeakPolarHBondContact CA-O 3.47Å; I186-I235 HydrophobicContact CD1-CB 4.29Å; I186-I235 HydrophobicContact CD1-CD1 4.39Å; I186-I235 HydrophobicContact CG1-CB 3.85Å; I186-I235 PolarHBondContact N-O 3.32Å; I186-I235 PolarHBondContact O-N 3.25Å; M188-I235 HydrophobicContact SD-CD1 3.81Å; V215-I235 HydrophobicContact CB-CG2 4.06Å; V215-I235 HydrophobicContact CG2-CG2 3.86Å; K216-I235 CarbonylContact O-C 3.53Å; M217-I235 HydrophobicContact CE-CG2 4.47Å; M217-I235 HydrophobicContact CG-CG1 4.21Å; M217-I235 HydrophobicContact CG-CG2 4.18Å; L233-I235 HydrophobicContact CD2-CD1 4.21Å; L233-I235 HydrophobicContact CD2-CG1 4.24Å; L233-I235 HydrophobicContact CG-CG1 4.19Å; I235-V242 HydrophobicContact CB-CG1 4.41Å; I235-V242 HydrophobicContact CG2-CG1 4.12Å; I235-V242 HydrophobicContact CG2-CG2 4.33Å; I235-A245 HydrophobicContact CG2-CB 4.07Å; I235-R246 HydrophobicContact CD1-CB 4.2Å; I235-V249 HydrophobicContact CD1-CG2 4.49Å
236S90.3Very high84.9Confident12 Ų1258.1 Ų58.18%0.08431%0.306CS..EExtended strand (participates in β ladder)trans-124.1133.4-176.750.40000111T184 V215 K216T184-S236 WeakPolarHBondContact O-CA 3.28Å; V215-S236 CarbonylContact C-O 3.58Å; V215-S236 WeakPolarHBondContact CA-O 3.35Å; K216-S236 WeakPolarHBondContact CB-OG 3.26Å; K216-S236 PolarHBondContact N-O 3.14Å; K216-S236 PolarHBondContact O-N 3.12Å; K216-S236 PolarHBondContact O-OG 3.48Å
237G89.4Confident86.5Confident11 Ų1157.1 Ų57.111%0.11329%0.291CS..EExtended strand (participates in β ladder)trans162.3-165.3-177.500000112.3I183 T184 V242I183-G237 CarbonylContact C-O 3.59Å; T184-G237 PolarHBondContact N-O 3.2Å; T184-G237 PolarHBondContact O-N 3.12Å; T184-G237 VanDerWaalsContact O-O 3.08Å; T184-G237 PolarHBondContact OG1-O 2.89Å; T184-G237 VanDerWaalsContact OG1-O 3.11Å; G237-V242 VanDerWaalsContact CA-CG2 3.48Å; G237-V242 VanDerWaalsContact N-CG2 3.28Å; G237-V242 WeakPolarHBondContact O-CG2 3.34Å
238E90.1Very high87.8Confident68 Ų6857.3 Ų57.332%0.31830%0.295SS..  trans-63.5137.8174.5-169.9179.6-18000110.9A240 R241 V242E238-A240 VanDerWaalsContact C-N 3.29Å; E238-A240 PolarHBondContact O-N 3.15Å; E238-R241 HydrophobicContact CB-CB 4.23Å; E238-R241 HydrophobicContact CB-CG 4.09Å; E238-R241 WeakPolarHBondContact O-CB 3.38Å; E238-R241 PolarHBondContact O-N 2.91Å; E238-R241 WeakPolarHBondContact OE2-CD 2.99Å; E238-R241 IonicContact OE2-CZ 3.92Å; E238-R241 IonicContact OE2-NE 3.38Å; E238-R241 PolarHBondContact OE2-NE 3.38Å; E238-V242 WeakPolarHBondContact O-CB 3.5Å; E238-V242 VanDerWaalsContact O-CG2 3.28Å; E238-V242 WeakPolarHBondContact O-CG2 3.23Å; E238-V242 PolarHBondContact O-N 2.87Å
239P88.4Confident89Confident69 Ų6952.3 Ų52.345%0.44826%0.263SS..Hα-helixtrans-54.8-40.1-173.318.6-32.9000114.2S182 T184 R241 E243S182-P239 WeakPolarHBondContact O-CD 3.24Å; T184-P239 HydrophobicContact CG2-CB 4Å; T184-P239 HydrophobicContact CG2-CG 4.36Å; T184-P239 VanDerWaalsContact OG1-CA 3.27Å; T184-P239 WeakPolarHBondContact OG1-CA 3.46Å; P239-R241 PolarHBondContact O-N 3.41Å; P239-E243 PolarHBondContact O-N 3.32Å; P239-E243 VanDerWaalsContact O-N 3.14Å
240A88.8Confident89.8Confident73 Ų7350.1 Ų50.160%0.60326%0.255SS*.Hα-helixtrans-65.9-37.7177.300000112.6E238 K244E238-A240 VanDerWaalsContact C-N 3.29Å; E238-A240 PolarHBondContact O-N 3.15Å; A240-K244 PolarHBondContact O-N 3.25Å
241R91.7Very high90Very high84 Ų8449.7 Ų49.732%0.31726%0.255SS..Hα-helixtrans-76.4-39.2179.1-64.9175.4-178-100.52.1111.8Y177 N213 V215 E238 P239 K244 A245Y177-R241 PolarHBondContact OH-NH2 2.95Å; N213-R241 WeakPolarHBondContact O-CB 3.37Å; N213-R241 VanDerWaalsContact O-CD 3.26Å; N213-R241 WeakPolarHBondContact O-CD 3.44Å; N213-R241 WeakPolarHBondContact O-CG 3.27Å; N213-R241 PolarHBondContact O-NH1 3.03Å; V215-R241 HydrophobicContact CG1-CB 3.67Å; E238-R241 HydrophobicContact CB-CB 4.23Å; E238-R241 HydrophobicContact CB-CG 4.09Å; E238-R241 WeakPolarHBondContact O-CB 3.38Å; E238-R241 PolarHBondContact O-N 2.91Å; E238-R241 WeakPolarHBondContact OE2-CD 2.99Å; E238-R241 IonicContact OE2-CZ 3.92Å; E238-R241 IonicContact OE2-NE 3.38Å; E238-R241 PolarHBondContact OE2-NE 3.38Å; P239-R241 PolarHBondContact O-N 3.41Å; R241-K244 PolarHBondContact O-N 3.12Å; R241-A245 VanDerWaalsContact O-CB 3.25Å; R241-A245 WeakPolarHBondContact O-CB 3.15Å; R241-A245 PolarHBondContact O-N 3.23Å
242V92.1Very high90.1Very high2 Ų250.8 Ų50.81%0.01226%0.261CS..Hα-helixtrans-62.5-43.2179.1167.90000111I186 V215 I235 G237 E238 A245 R246I186-V242 HydrophobicContact CB-CG1 4.22Å; I186-V242 HydrophobicContact CD1-CG1 3.3Å; I186-V242 HydrophobicContact CG1-CG1 3.37Å; I186-V242 HydrophobicContact CG2-CG1 3.9Å; V215-V242 HydrophobicContact CG1-CG2 4.03Å; I235-V242 HydrophobicContact CB-CG1 4.41Å; I235-V242 HydrophobicContact CG2-CG1 4.12Å; I235-V242 HydrophobicContact CG2-CG2 4.33Å; G237-V242 VanDerWaalsContact CA-CG2 3.48Å; G237-V242 VanDerWaalsContact N-CG2 3.28Å; G237-V242 WeakPolarHBondContact O-CG2 3.34Å; E238-V242 WeakPolarHBondContact O-CB 3.5Å; E238-V242 VanDerWaalsContact O-CG2 3.28Å; E238-V242 WeakPolarHBondContact O-CG2 3.23Å; E238-V242 PolarHBondContact O-N 2.87Å; V242-A245 PolarHBondContact O-N 2.92Å; V242-R246 WeakPolarHBondContact O-CB 3.12Å; V242-R246 PolarHBondContact O-N 3.35Å
243E91.5Very high90Very high88 Ų8850.1 Ų50.141%0.41126%0.257SS..Hα-helixtrans-68.5-39.2176.6-168.559.5-155.400111.9P239 A245 R246 Q247P239-E243 PolarHBondContact O-N 3.32Å; P239-E243 VanDerWaalsContact O-N 3.14Å; E243-A245 PolarHBondContact O-N 2.93Å; E243-R246 WeakPolarHBondContact O-CB 3.15Å; E243-R246 PolarHBondContact O-N 3.25Å; E243-R246 IonicContact OE1-CZ 3.75Å; E243-R246 IonicContact OE1-NE 3.9Å; E243-R246 IonicContact OE1-NH1 3.35Å; E243-R246 PolarHBondContact OE1-NH1 3.4Å; E243-R246 WeakPolarHBondContact OE2-CD 3.39Å; E243-R246 IonicContact OE2-NH1 3.3Å; E243-R246 PolarHBondContact OE2-NH1 3.48Å; E243-Q247 PolarHBondContact O-N 3.08Å
244K92Very high89.6Confident126 Ų12654.7 Ų54.755%0.54828%0.281SS..Hα-helixtrans-60.6-46.2174-171.4-175.8177.4-167.30111.7A240 R241 Q247 A248A240-K244 PolarHBondContact O-N 3.25Å; R241-K244 PolarHBondContact O-N 3.12Å; K244-Q247 PolarHBondContact O-N 3.3Å; K244-A248 PolarHBondContact O-N 2.98Å
245A92Very high88.5Confident0 Ų054.5 Ų54.50%030%0.295CS..Hα-helixtrans-61.1-44.1176.400000112.8N213 V215 M217 I235 R241 V242 E243 Q247 A248 V249N213-A245 HydrophobicContact CB-CB 3.93Å; V215-A245 HydrophobicContact CG1-CB 4.2Å; V215-A245 HydrophobicContact CG2-CB 3.63Å; M217-A245 HydrophobicContact CE-CB 3.49Å; M217-A245 VanDerWaalsContact CE-CB 3.49Å; I235-A245 HydrophobicContact CG2-CB 4.07Å; R241-A245 VanDerWaalsContact O-CB 3.25Å; R241-A245 WeakPolarHBondContact O-CB 3.15Å; R241-A245 PolarHBondContact O-N 3.23Å; V242-A245 PolarHBondContact O-N 2.92Å; E243-A245 PolarHBondContact O-N 2.93Å; A245-Q247 VanDerWaalsContact C-N 3.32Å; A245-Q247 PolarHBondContact O-N 3.4Å; A245-A248 PolarHBondContact O-N 3.19Å; A245-V249 WeakPolarHBondContact O-CG2 3.44Å; A245-V249 PolarHBondContact O-N 2.64Å
246R92.3Very high86.8Confident102 Ų10260.3 Ų60.339%0.38532%0.317SS..Hα-helixtrans-57.6-45.5173.9178.9-163.6159.8178-1.9111.4I186 M188 I235 V242 E243 V249 L250I186-R246 HydrophobicContact CD1-CB 3.73Å; I186-R246 HydrophobicContact CD1-CG 4.01Å; M188-R246 HydrophobicContact CE-CG 4.45Å; M188-R246 HydrophobicContact SD-CG 3.98Å; I235-R246 HydrophobicContact CD1-CB 4.2Å; V242-R246 WeakPolarHBondContact O-CB 3.12Å; V242-R246 PolarHBondContact O-N 3.35Å; E243-R246 WeakPolarHBondContact O-CB 3.15Å; E243-R246 PolarHBondContact O-N 3.25Å; E243-R246 IonicContact OE1-CZ 3.75Å; E243-R246 IonicContact OE1-NE 3.9Å; E243-R246 IonicContact OE1-NH1 3.35Å; E243-R246 PolarHBondContact OE1-NH1 3.4Å; E243-R246 WeakPolarHBondContact OE2-CD 3.39Å; E243-R246 IonicContact OE2-NH1 3.3Å; E243-R246 PolarHBondContact OE2-NH1 3.48Å; R246-V249 PolarHBondContact O-N 2.8Å; R246-L250 WeakPolarHBondContact O-CB 3.18Å; R246-L250 PolarHBondContact O-N 3.35Å
247Q92Very high85.1Confident98 Ų9864.5 Ų64.546%0.45834%0.338SS..Hα-helixtrans-65.1-39.9179.6-167.963.415.200111.7E243 K244 A245 V249 L250 V251E243-Q247 PolarHBondContact O-N 3.08Å; K244-Q247 PolarHBondContact O-N 3.3Å; A245-Q247 VanDerWaalsContact C-N 3.32Å; A245-Q247 PolarHBondContact O-N 3.4Å; Q247-V249 VanDerWaalsContact C-N 3.34Å; Q247-V249 PolarHBondContact O-N 3.25Å; Q247-L250 PolarHBondContact O-N 3.21Å; Q247-V251 WeakPolarHBondContact O-CG2 3.29Å; Q247-V251 PolarHBondContact O-N 2.94Å
248A90Very high83Confident32 Ų3275.1 Ų75.126%0.26437%0.374SS..Hα-helixtrans-60.7-43.1174.400000112L209 K244 A245 V251 L252L209-A248 HydrophobicContact CD2-CB 3.91Å; K244-A248 PolarHBondContact O-N 2.98Å; A245-A248 PolarHBondContact O-N 3.19Å; A248-V251 PolarHBondContact O-N 2.83Å; A248-L252 WeakPolarHBondContact O-CG 3.46Å; A248-L252 PolarHBondContact O-N 2.85Å; A248-L252 VanDerWaalsContact O-N 3.1Å
249V90.3Very high80.5Confident0 Ų078.3 Ų78.30%040%0.401CS..Hα-helixtrans-64.5-42.2174.6174.60000111.3M188 V190 V198 L209 M217 L233 I235 A245 R246 Q247 V251 L252 I253M188-V249 HydrophobicContact CE-CB 4.16Å; M188-V249 HydrophobicContact CE-CG1 3.67Å; M188-V249 HydrophobicContact SD-CB 3.97Å; M188-V249 HydrophobicContact SD-CG1 3.7Å; V190-V249 HydrophobicContact CG2-CG1 4.48Å; V198-V249 HydrophobicContact CG1-CG1 3.97Å; V198-V249 HydrophobicContact CG1-CG2 4.26Å; V198-V249 HydrophobicContact CG2-CG1 4.04Å; L209-V249 HydrophobicContact CD1-CG2 4.23Å; M217-V249 HydrophobicContact CE-CG2 4.41Å; M217-V249 HydrophobicContact SD-CG2 4.42Å; L233-V249 HydrophobicContact CD2-CB 4.43Å; L233-V249 HydrophobicContact CD2-CG1 3.74Å; L233-V249 HydrophobicContact CD2-CG2 4.01Å; I235-V249 HydrophobicContact CD1-CG2 4.49Å; A245-V249 WeakPolarHBondContact O-CG2 3.44Å; A245-V249 PolarHBondContact O-N 2.64Å; R246-V249 PolarHBondContact O-N 2.8Å; Q247-V249 VanDerWaalsContact C-N 3.34Å; Q247-V249 PolarHBondContact O-N 3.25Å; V249-V251 VanDerWaalsContact C-N 3.31Å; V249-V251 PolarHBondContact O-N 3.3Å; V249-L252 WeakPolarHBondContact O-CB 3.35Å; V249-L252 PolarHBondContact O-N 3.19Å; V249-L252 VanDerWaalsContact O-N 3.12Å; V249-I253 HydrophobicContact CG1-CD1 3.66Å; V249-I253 HydrophobicContact CG1-CG1 4.29Å; V249-I253 VanDerWaalsContact O-CG1 3.27Å; V249-I253 WeakPolarHBondContact O-CG1 3.4Å; V249-I253 PolarHBondContact O-N 3.36Å
250L88.7Confident77.9Confident59 Ų5978.5 Ų78.531%0.30942%0.416SS..Hα-helixtrans-61.3-39.8178.6-170.175000111.9R246 Q247 I253 N254R246-L250 WeakPolarHBondContact O-CB 3.18Å; R246-L250 PolarHBondContact O-N 3.35Å; Q247-L250 PolarHBondContact O-N 3.21Å; L250-I253 PolarHBondContact O-N 2.99Å; L250-N254 WeakPolarHBondContact O-CB 3.43Å; L250-N254 PolarHBondContact O-N 3.22Å; L250-N254 PolarHBondContact O-ND2 2.95Å
251V86.4Confident75.3Confident75 Ų7578.8 Ų78.846%0.45543%0.426SS..Hα-helixtrans-63.9-43.9173.7172.80000110.4Q247 A248 V249 I253 N254 S255Q247-V251 WeakPolarHBondContact O-CG2 3.29Å; Q247-V251 PolarHBondContact O-N 2.94Å; A248-V251 PolarHBondContact O-N 2.83Å; V249-V251 VanDerWaalsContact C-N 3.31Å; V249-V251 PolarHBondContact O-N 3.3Å; V251-I253 VanDerWaalsContact C-N 3.27Å; V251-I253 PolarHBondContact O-N 3.03Å; V251-N254 PolarHBondContact O-N 3.35Å; V251-S255 WeakPolarHBondContact O-CB 3.18Å; V251-S255 PolarHBondContact O-N 3.43Å; V251-S255 PolarHBondContact O-OG 3.38Å
252L85.4Confident73Confident45 Ų4580.5 Ų80.524%0.23645%0.451CS..Hα-helixtrans-62.6-33.4176.9-73.9167.5000113.5T205 L209 A248 V249T205-L252 HydrophobicContact CG2-CD1 4.31Å; L209-L252 HydrophobicContact CD1-CD1 3.59Å; L209-L252 HydrophobicContact CD2-CD1 4.2Å; L209-L252 HydrophobicContact CG-CD1 4.39Å; A248-L252 WeakPolarHBondContact O-CG 3.46Å; A248-L252 PolarHBondContact O-N 2.85Å; A248-L252 VanDerWaalsContact O-N 3.1Å; V249-L252 WeakPolarHBondContact O-CB 3.35Å; V249-L252 PolarHBondContact O-N 3.19Å; V249-L252 VanDerWaalsContact O-N 3.12Å
253I85.2Confident70.5Confident11 Ų1186.6 Ų86.66%0.05648%0.481CS..Hα-helixtrans-74-42.9177.4-66.6166.9000110.9M188 V190 P191 K194 V198 V249 L250 V251M188-I253 HydrophobicContact CE-CD1 3.95Å; V190-I253 HydrophobicContact CB-CD1 4.13Å; V190-I253 HydrophobicContact CG1-CD1 3.74Å; V190-I253 HydrophobicContact CG1-CG1 4.06Å; V190-I253 HydrophobicContact CG2-CD1 3.74Å; P191-I253 HydrophobicContact CG-CG2 4.41Å; K194-I253 HydrophobicContact CD-CB 4.44Å; K194-I253 HydrophobicContact CD-CG2 3.64Å; K194-I253 VanDerWaalsContact CD-O 3.27Å; K194-I253 WeakPolarHBondContact CD-O 3.45Å; K194-I253 VanDerWaalsContact CE-O 3.28Å; K194-I253 WeakPolarHBondContact CE-O 3.45Å; K194-I253 PolarHBondContact NZ-O 3.29Å; V198-I253 HydrophobicContact CG2-CD1 4.36Å; V198-I253 HydrophobicContact CG2-CG1 3.86Å; V249-I253 HydrophobicContact CG1-CD1 3.66Å; V249-I253 HydrophobicContact CG1-CG1 4.29Å; V249-I253 VanDerWaalsContact O-CG1 3.27Å; V249-I253 WeakPolarHBondContact O-CG1 3.4Å; V249-I253 PolarHBondContact O-N 3.36Å; L250-I253 PolarHBondContact O-N 2.99Å; V251-I253 VanDerWaalsContact C-N 3.27Å; V251-I253 PolarHBondContact O-N 3.03Å
254N82.2Confident68.1Low96 Ų9688.3 Ų88.351%0.51349%0.488SS..Hα-helixtrans-79.6-36-177.7-75.3-59.5000113.2L250 V251 R256L250-N254 WeakPolarHBondContact O-CB 3.43Å; L250-N254 PolarHBondContact O-N 3.22Å; L250-N254 PolarHBondContact O-ND2 2.95Å; V251-N254 PolarHBondContact O-N 3.35Å; N254-R256 PolarHBondContact O-N 2.94Å
255S68.2Low65.5Low94 Ų9486.1 Ų86.166%0.65748%0.477SS*.THydrogen-bonded Turntrans-72.93.8-174-61.90000114.2V251V251-S255 WeakPolarHBondContact O-CB 3.18Å; V251-S255 PolarHBondContact O-N 3.43Å; V251-S255 PolarHBondContact O-OG 3.38Å
256R56.9Low62.8Low122 Ų12288.2 Ų88.246%0.4650%0.499SS..THydrogen-bonded Turntrans-135.218.6-171.1-119.3158.1172-1750.2115.9L197 N254 R258L197-R256 HydrophobicContact CD1-CB 3.69Å; L197-R256 HydrophobicContact CD1-CG 4.1Å; N254-R256 PolarHBondContact O-N 2.94Å; R256-R258 PolarHBondContact O-N 3.21Å
257D53.2Low60.3Low99 Ų9990.8 Ų90.853%0.52951%0.51SS..  trans-63.519.5171.8-86.2-63.4000115.7K194 P259K194-D257 VanDerWaalsContact CE-CG 3.49Å; K194-D257 WeakPolarHBondContact CE-OD1 3.48Å; K194-D257 IonicContact NZ-OD1 2.76Å; K194-D257 PolarHBondContact NZ-OD1 3.15Å; K194-D257 IonicContact NZ-OD2 2.58Å; K194-D257 PolarHBondContact NZ-OD2 2.93Å; D257-P259 WeakPolarHBondContact O-CD 2.8Å
258R45.6Very low57.7Low234 Ų23494.6 Ų94.688%0.88353%0.534SS*.  trans-83.8109.4169.1-75.5-172-168.8-117.42.8109.2R256 G260R256-R258 PolarHBondContact O-N 3.21Å; R258-G260 PolarHBondContact O-N 2.94Å
259P37.2Very low55.7Low135 Ų13595.1 Ų95.188%0.87754%0.543SS*.SBendtrans-72.8111.4-179.930.2-31.9000109.3D257D257-P259 WeakPolarHBondContact O-CD 2.8Å
260G33.4Very low54.2Low73 Ų7397.4 Ų97.475%0.75355%0.553SS**  trans162.922.5175.200000116.4R258 S262R258-G260 PolarHBondContact O-N 2.94Å; G260-S262 PolarHBondContact O-N 2.95Å
261G36Very low53.4Low80 Ų8099.7 Ų99.783%0.82556%0.562SS**  trans-75.180.4-163.700000116.6M263G261-M263 PolarHBondContact O-N 3Å
262S41.7Very low53.1Low120 Ų120100.1 Ų100.184%0.83957%0.565SS**  trans-72.595.5152.5-169.80000109.6G260 H264G260-S262 PolarHBondContact O-N 2.95Å; S262-H264 PolarHBondContact O-N 3.18Å
263M40.3Very low53.1Low130 Ų130100 Ų10064%0.6457%0.568SS**  trans-5.461.6162.1-84.7-78.5-151.500120.5K201 G261K201-M263 HydrophobicContact CD-SD 4.02Å; K201-M263 WeakPolarHBondContact CE-SD 3.41Å; K201-M263 HydrophobicContact CG-CE 3.68Å; K201-M263 HydrophobicContact CG-SD 3.58Å; K201-M263 VanDerWaalsContact CG-SD 3.58Å; K201-M263 PolarHBondContact NZ-O 3.27Å; G261-M263 PolarHBondContact O-N 3Å
264H40.6Very low53.1Low123 Ų123105.8 Ų105.857%0.56960%0.595SS**  trans-86.6122.9157.1-161.573.4000110.4S262S262-H264 PolarHBondContact O-N 3.18Å
265Y37.8Very low53.4Low80 Ų80103.2 Ų103.231%0.31458%0.578SS.*  trans-92.8128.5170.7-113.1-131.6000107.8G200 K201G200-Y265 WeakPolarHBondContact CA-OH 3.09Å; K201-Y265 HydrophobicContact CB-CD2 4.31Å; K201-Y265 HydrophobicContact CB-CE1 4.2Å; K201-Y265 HydrophobicContact CB-CE2 3.52Å; K201-Y265 VanDerWaalsContact CB-CZ 3.46Å; K201-Y265 HydrophobicContact CD-CD1 4.12Å; K201-Y265 HydrophobicContact CD-CD2 3.13Å; K201-Y265 HydrophobicContact CD-CE1 4.25Å; K201-Y265 HydrophobicContact CD-CE2 3.28Å; K201-Y265 HydrophobicContact CD-CG 3.58Å; K201-Y265 HydrophobicContact CG-CD2 3.59Å; K201-Y265 HydrophobicContact CG-CE1 4.49Å; K201-Y265 HydrophobicContact CG-CE2 3.14Å; K201-Y265 HydrophobicContact CG-CG 4.41Å; K201-Y265 VanDerWaalsContact N-CZ 3.34Å; K201-Y265 PolarHBondContact N-OH 2.92Å
266G35.6Very low54.3Low45 Ų45101.4 Ų101.446%0.46457%0.569SS.*SBendtrans116120.3171.700000113.4
267Y38.8Very low55.7Low155 Ų15595.6 Ų95.661%0.60855%0.547SS*.  trans5290.7156.5-82.9-99.2000119.1G269 Q270Y267-G269 VanDerWaalsContact C-N 3.35Å; Y267-G269 PolarHBondContact O-N 3.33Å; Y267-Q270 VanDerWaalsContact CB-CD 3.44Å; Y267-Q270 VanDerWaalsContact CB-OE1 3.24Å; Y267-Q270 HydrophobicContact CD1-CG 3.52Å; Y267-Q270 HydrophobicContact CD2-CG 4.48Å; Y267-Q270 HydrophobicContact CE1-CG 4.41Å; Y267-Q270 HydrophobicContact CG-CB 4.42Å; Y267-Q270 HydrophobicContact CG-CG 3.55Å; Y267-Q270 VanDerWaalsContact CG-OE1 3.26Å; Y267-Q270 PolarHBondContact O-N 3.39Å
268D38Very low57.2Low178 Ų17893.1 Ų93.195%0.95254%0.537SS*.THydrogen-bonded Turntrans-70.292.9159.3-158.9-106.9000108.1
269G48.3Very low59Low44 Ų4483.3 Ų83.345%0.45451%0.506SS..THydrogen-bonded Turntrans142.8-15.7-172.100000114.2Y267 E271 N324Y267-G269 VanDerWaalsContact C-N 3.35Å; Y267-G269 PolarHBondContact O-N 3.33Å; G269-E271 PolarHBondContact O-N 3.37Å; G269-N324 PolarHBondContact O-OD1 2.95Å
270Q59Low61.3Low47 Ų4785.3 Ų85.322%0.2250%0.503CS..  trans-85.9102.3178.3-75.9-170.8-33.800111.5Y267 G323Y267-Q270 VanDerWaalsContact CB-CD 3.44Å; Y267-Q270 VanDerWaalsContact CB-OE1 3.24Å; Y267-Q270 HydrophobicContact CD1-CG 3.52Å; Y267-Q270 HydrophobicContact CD2-CG 4.48Å; Y267-Q270 HydrophobicContact CE1-CG 4.41Å; Y267-Q270 HydrophobicContact CG-CB 4.42Å; Y267-Q270 HydrophobicContact CG-CG 3.55Å; Y267-Q270 VanDerWaalsContact CG-OE1 3.26Å; Y267-Q270 PolarHBondContact O-N 3.39Å; Q270-G323 CarbonylContact C-O 3.59Å; Q270-G323 WeakPolarHBondContact CA-O 3.19Å; Q270-G323 VanDerWaalsContact CG-C 3.44Å
271E71.7Confident63.8Low107 Ų10786.4 Ų86.450%0.549%0.487SS..EExtended strand (participates in β ladder)trans-59.1148.5163.8-74.8175.19300108.9G269 R322 G323 R325 I328G269-E271 PolarHBondContact O-N 3.37Å; E271-R322 WeakPolarHBondContact O-CA 3.16Å; E271-G323 PolarHBondContact N-O 3.42Å; E271-G323 PolarHBondContact O-N 2.95Å; E271-R325 WeakPolarHBondContact OE2-CB 3.41Å; E271-I328 VanDerWaalsContact C-CD1 3.48Å; E271-I328 HydrophobicContact CB-CD1 3.36Å; E271-I328 WeakPolarHBondContact O-CD1 3.25Å
272T79.8Confident66.2Low85 Ų8582.6 Ų82.652%0.52145%0.448SS..EExtended strand (participates in β ladder)trans-111.7120.7169.3-57.20000107.2V321 R322T272-V321 CarbonylContact C-O 3.46Å; T272-V321 WeakPolarHBondContact CA-O 3.43Å; T272-R322 HydrophobicContact CG2-CG 3.8Å; T272-R322 WeakPolarHBondContact OG1-CG 3.14Å
273S84.8Confident68.3Low43 Ų4379.1 Ų79.130%0.30143%0.431SS..EExtended strand (participates in β ladder)trans-119140.9177.3-168.20000110V321S273-V321 PolarHBondContact N-O 2.97Å; S273-V321 PolarHBondContact O-N 3.47Å
274Q86.7Confident70.5Confident132 Ų13277.7 Ų77.762%0.61743%0.425SS*.EExtended strand (participates in β ladder)trans-100.9127178.1-59.8-170.242.700109.2I318 F319 N320Q274-I318 HydrophobicContact CB-CG2 3.93Å; Q274-I318 HydrophobicContact CG-CG2 4.36Å; Q274-F319 WeakPolarHBondContact CA-O 3.39Å; Q274-N320 WeakPolarHBondContact CG-OD1 3.45Å
275Y87.4Confident72.9Confident41 Ų4171.9 Ų71.916%0.16140%0.398CS..EExtended strand (participates in β ladder)trans-119.7115.6177.2-169.4-105.3000110.5V277 F319 I332 I335 S336Y275-V277 HydrophobicContact CD1-CG2 3.5Å; Y275-V277 VanDerWaalsContact CD1-CG2 3.5Å; Y275-V277 HydrophobicContact CE1-CG2 3.54Å; Y275-F319 PolarHBondContact N-O 3.22Å; Y275-F319 PolarHBondContact O-N 3.4Å; Y275-I332 HydrophobicContact CD2-CG1 4.36Å; Y275-I332 HydrophobicContact CD2-CG2 3.65Å; Y275-I332 HydrophobicContact CE2-CG2 3.66Å; Y275-I332 HydrophobicContact CG-CG1 4.45Å; Y275-I332 HydrophobicContact CG-CG2 4.29Å; Y275-I335 HydrophobicContact CD1-CB 4.25Å; Y275-I335 HydrophobicContact CD1-CG2 3.53Å; Y275-I335 HydrophobicContact CE1-CB 4.31Å; Y275-I335 HydrophobicContact CE1-CG2 3.61Å; Y275-S336 WeakPolarHBondContact OH-CB 3.18Å
276A87.6Confident75.2Confident56 Ų5669.7 Ų69.746%0.46339%0.392SS..EExtended strand (participates in β ladder)trans-86124.6178.400000110.6
277V85.9Confident77.7Confident0 Ų068.6 Ų68.60%038%0.381CS..EExtended strand (participates in β ladder)trans-120.2137.8176-178.20000108.2Y275 A279 K281 A282 V285 I316 K317 F319 I335 A339 I341Y275-V277 HydrophobicContact CD1-CG2 3.5Å; Y275-V277 VanDerWaalsContact CD1-CG2 3.5Å; Y275-V277 HydrophobicContact CE1-CG2 3.54Å; V277-A279 PolarHBondContact O-N 2.98Å; V277-K281 HydrophobicContact CG1-CB 4.03Å; V277-A282 HydrophobicContact CG1-CB 4.28Å; V277-V285 HydrophobicContact CG1-CG2 4.29Å; V277-I316 CarbonylContact O-C 3.6Å; V277-K317 PolarHBondContact N-O 2.87Å; V277-K317 PolarHBondContact O-N 3.41Å; V277-F319 HydrophobicContact CB-CD2 4.06Å; V277-F319 HydrophobicContact CB-CE2 3.71Å; V277-F319 HydrophobicContact CG1-CE2 4.45Å; V277-F319 HydrophobicContact CG2-CD2 3.6Å; V277-F319 HydrophobicContact CG2-CE2 3.63Å; V277-I335 HydrophobicContact CG2-CG2 3.64Å; V277-A339 HydrophobicContact CG1-CB 3.72Å; V277-I341 HydrophobicContact CG1-CD1 4.21Å
278P85.9Confident80Confident48 Ų4871 Ų7131%0.31239%0.394SS..EExtended strand (participates in β ladder)trans-53.1136.2172.5-25.435.3000111.3E280 K281 A282 S315 I341P278-E280 PolarHBondContact O-N 3.38Å; P278-E280 VanDerWaalsContact O-N 3.12Å; P278-K281 HydrophobicContact CB-CG 4.41Å; P278-K281 CarbonylContact O-C 3.58Å; P278-K281 PolarHBondContact O-N 3.33Å; P278-A282 PolarHBondContact O-N 3.03Å; P278-S315 CarbonylContact C-O 3.59Å; P278-S315 WeakPolarHBondContact CA-O 3.39Å; P278-I341 HydrophobicContact CG-CD1 4.49Å
279A83.5Confident82.2Confident28 Ų2866.2 Ų66.223%0.23139%0.387CS..Hα-helixtrans-56.6-33.7-175.300000112.5V277 K281 P314 S315 K317V277-A279 PolarHBondContact O-N 2.98Å; A279-K281 VanDerWaalsContact C-N 3.3Å; A279-K281 PolarHBondContact O-N 3.35Å; A279-P314 WeakPolarHBondContact CB-O 3.27Å; A279-S315 PolarHBondContact N-O 3.15Å; A279-K317 HydrophobicContact CB-CG 4.14Å
280E85.4Confident84.1Confident177 Ų17764.7 Ų64.783%0.82737%0.371SS*.Hα-helixtrans-63.7-30.9175.3-61.417885.900113.3P278P278-E280 PolarHBondContact O-N 3.38Å; P278-E280 VanDerWaalsContact O-N 3.12Å
281K84.9Confident85.6Confident96 Ų9669.7 Ų69.742%0.41739%0.394SS..Hα-helixtrans-98.6-20.8-179.2-59.4-60.3-173-179.10112.9V277 P278 A279 G283 L284 V285 A339V277-K281 HydrophobicContact CG1-CB 4.03Å; P278-K281 HydrophobicContact CB-CG 4.41Å; P278-K281 CarbonylContact O-C 3.58Å; P278-K281 PolarHBondContact O-N 3.33Å; A279-K281 VanDerWaalsContact C-N 3.3Å; A279-K281 PolarHBondContact O-N 3.35Å; K281-G283 PolarHBondContact O-N 2.74Å; K281-L284 HydrophobicContact CD-CD1 4.08Å; K281-L284 WeakPolarHBondContact O-CB 3.48Å; K281-L284 PolarHBondContact O-N 2.93Å; K281-V285 PolarHBondContact O-N 2.83Å; K281-A339 HydrophobicContact CB-CB 4.09Å; K281-A339 WeakPolarHBondContact CD-O 3.45Å; K281-A339 WeakPolarHBondContact CG-O 3.42Å
282A86.2Confident86.5Confident0 Ų065.4 Ų65.40%038%0.377CS..Hα-helixtrans-58.6-32.4178.100000112.6V277 P278 L284 V285 I286 K317 F319V277-A282 HydrophobicContact CG1-CB 4.28Å; P278-A282 PolarHBondContact O-N 3.03Å; A282-L284 VanDerWaalsContact C-N 3.29Å; A282-L284 PolarHBondContact O-N 3.3Å; A282-V285 PolarHBondContact O-N 2.71Å; A282-I286 WeakPolarHBondContact O-CD1 3.47Å; A282-I286 VanDerWaalsContact O-CG1 3.25Å; A282-I286 WeakPolarHBondContact O-CG1 3.2Å; A282-I286 PolarHBondContact O-N 3.35Å; A282-I286 VanDerWaalsContact O-N 3.08Å; A282-K317 HydrophobicContact CB-CB 3.96Å; A282-K317 HydrophobicContact CB-CD 3.7Å; A282-K317 HydrophobicContact CB-CG 4.13Å; A282-F319 HydrophobicContact CB-CE2 3.94Å; A282-F319 HydrophobicContact CB-CZ 3.92Å
283G86.5Confident87Confident46 Ų4662.4 Ų62.447%0.47436%0.357SS..Hα-helixtrans-61.2-34.4174.100000113.7K281 G287K281-G283 PolarHBondContact O-N 2.74Å; G283-G287 PolarHBondContact O-N 3.12Å
284L87.3Confident87.3Confident101 Ų10167.2 Ų67.253%0.52937%0.373SS..Hα-helixtrans-71.3-37.3176.7-64.3170.9000111.8K281 A282K281-L284 HydrophobicContact CD-CD1 4.08Å; K281-L284 WeakPolarHBondContact O-CB 3.48Å; K281-L284 PolarHBondContact O-N 2.93Å; A282-L284 VanDerWaalsContact C-N 3.29Å; A282-L284 PolarHBondContact O-N 3.3Å
285V89.2Confident87.5Confident0 Ų064.6 Ų64.60%036%0.36CS..Hα-helixtrans-64.2-44175.9178.60000110.9V277 K281 A282 S292 I293 I296 F319 I335 R338 A339V277-V285 HydrophobicContact CG1-CG2 4.29Å; K281-V285 PolarHBondContact O-N 2.83Å; A282-V285 PolarHBondContact O-N 2.71Å; V285-S292 CarbonylContact O-C 3.54Å; V285-S292 WeakPolarHBondContact O-CB 3.37Å; V285-S292 PolarHBondContact O-OG 2.9Å; V285-I293 PolarHBondContact O-N 3.23Å; V285-I296 HydrophobicContact CG1-CD1 3.88Å; V285-F319 HydrophobicContact CB-CZ 4.27Å; V285-F319 HydrophobicContact CG1-CE1 4.1Å; V285-F319 HydrophobicContact CG1-CZ 4.15Å; V285-I335 HydrophobicContact CG1-CB 4.25Å; V285-I335 HydrophobicContact CG1-CG1 3.99Å; V285-I335 HydrophobicContact CG1-CG2 3.77Å; V285-I335 HydrophobicContact CG2-CG2 3.99Å; V285-R338 HydrophobicContact CG2-CB 4.29Å; V285-A339 HydrophobicContact CG2-CB 3.78Å
286I87.4Confident87.7Confident34 Ų3463 Ų6317%0.17435%0.354CS..Hα-helixtrans-70.1-42.1-179.6-61.4161.8000110.7A282 G290 S292 I293 I306 F319A282-I286 WeakPolarHBondContact O-CD1 3.47Å; A282-I286 VanDerWaalsContact O-CG1 3.25Å; A282-I286 WeakPolarHBondContact O-CG1 3.2Å; A282-I286 PolarHBondContact O-N 3.35Å; A282-I286 VanDerWaalsContact O-N 3.08Å; I286-G290 CarbonylContact O-C 3.58Å; I286-G290 VanDerWaalsContact O-C 3.25Å; I286-G290 WeakPolarHBondContact O-CA 3.42Å; I286-S292 WeakPolarHBondContact O-CB 3.5Å; I286-S292 PolarHBondContact O-N 2.84Å; I286-S292 VanDerWaalsContact O-N 3.15Å; I286-I293 HydrophobicContact CG2-CG2 4.12Å; I286-I293 PolarHBondContact O-N 3.04Å; I286-I293 VanDerWaalsContact O-N 3.11Å; I286-I306 HydrophobicContact CD1-CD1 3.41Å; I286-I306 VanDerWaalsContact CD1-CD1 3.41Å; I286-I306 HydrophobicContact CD1-CG1 4.34Å; I286-I306 HydrophobicContact CG1-CD1 3.88Å; I286-F319 HydrophobicContact CD1-CZ 4.42Å; I286-F319 HydrophobicContact CG1-CE1 4.1Å; I286-F319 HydrophobicContact CG1-CZ 4.22Å
287G86.9Confident87.8Confident23 Ų2362 Ų6224%0.23734%0.343CS..  trans74.7168.9-175.300000113G283 G289 G290G283-G287 PolarHBondContact O-N 3.12Å; G287-G289 PolarHBondContact O-N 3.33Å; G287-G290 PolarHBondContact O-N 2.88Å
288K87.2Confident88.1Confident205 Ų20570.9 Ų70.989%0.89138%0.377SS*.G310 helixtrans-62.1121.3176.5-60.6177.5-176.7179.80108.7G290 E291K288-G290 PolarHBondContact O-N 2.96Å; K288-E291 PolarHBondContact O-N 3.46Å
289G85.3Confident88.4Confident77 Ų7772 Ų7279%0.79438%0.383SS*.G310 helixtrans69.513.3-179.500000115.8G287 E291G287-G289 PolarHBondContact O-N 3.33Å; G289-E291 VanDerWaalsContact C-N 3.3Å; G289-E291 PolarHBondContact O-N 3.49Å
290G87.7Confident88.7Confident12 Ų1271.1 Ų71.112%0.12438%0.375CS..G310 helixtrans76.713.8-177.700000114.2I286 G287 K288 S292 I293 K294I286-G290 CarbonylContact O-C 3.58Å; I286-G290 VanDerWaalsContact O-C 3.25Å; I286-G290 WeakPolarHBondContact O-CA 3.42Å; G287-G290 PolarHBondContact O-N 2.88Å; K288-G290 PolarHBondContact O-N 2.96Å; G290-S292 VanDerWaalsContact C-N 3.34Å; G290-S292 PolarHBondContact O-N 3.29Å; G290-I293 WeakPolarHBondContact O-CG2 3.5Å; G290-K294 WeakPolarHBondContact O-CB 3.35Å; G290-K294 WeakPolarHBondContact O-CD 3.3Å; G290-K294 WeakPolarHBondContact O-CG 3.4Å; G290-K294 PolarHBondContact O-N 3.33Å
291E89.8Confident88.7Confident152 Ų15264.8 Ų64.871%0.7136%0.357SS*.Hα-helixtrans-63-40.2-179.3-169.7177.6114.500112.2K288 G289 K294 E295K288-E291 PolarHBondContact O-N 3.46Å; G289-E291 VanDerWaalsContact C-N 3.3Å; G289-E291 PolarHBondContact O-N 3.49Å; E291-K294 PolarHBondContact O-N 2.97Å; E291-E295 WeakPolarHBondContact O-CB 3.29Å; E291-E295 PolarHBondContact O-N 3.18Å
292S91.2Very high88.9Confident18 Ų1860.3 Ų60.313%0.12634%0.338CS..Hα-helixtrans-70-42.7-178.9-176.10000111.7V285 I286 G290 K294 E295 I296V285-S292 CarbonylContact O-C 3.54Å; V285-S292 WeakPolarHBondContact O-CB 3.37Å; V285-S292 PolarHBondContact O-OG 2.9Å; I286-S292 WeakPolarHBondContact O-CB 3.5Å; I286-S292 PolarHBondContact O-N 2.84Å; I286-S292 VanDerWaalsContact O-N 3.15Å; G290-S292 VanDerWaalsContact C-N 3.34Å; G290-S292 PolarHBondContact O-N 3.29Å; S292-K294 VanDerWaalsContact C-N 3.34Å; S292-K294 PolarHBondContact O-N 3.22Å; S292-E295 PolarHBondContact O-N 3.45Å; S292-I296 VanDerWaalsContact O-CG1 3.27Å; S292-I296 WeakPolarHBondContact O-CG1 3.25Å; S292-I296 PolarHBondContact O-N 3.02Å
293I90.8Very high89Confident21 Ų2164.6 Ų64.611%0.10836%0.358CS..Hα-helixtrans-66.7-36174.8-173.9167.8000112V285 I286 G290 E295 I296 C297 V304 I306 F319V285-I293 PolarHBondContact O-N 3.23Å; I286-I293 HydrophobicContact CG2-CG2 4.12Å; I286-I293 PolarHBondContact O-N 3.04Å; I286-I293 VanDerWaalsContact O-N 3.11Å; G290-I293 WeakPolarHBondContact O-CG2 3.5Å; I293-E295 VanDerWaalsContact C-N 3.33Å; I293-I296 PolarHBondContact O-N 3.48Å; I293-C297 PolarHBondContact O-N 3.2Å; I293-C297 PolarHBondContact O-SG 3.49Å; I293-V304 HydrophobicContact CD1-CB 4.38Å; I293-V304 HydrophobicContact CD1-CG1 4.07Å; I293-V304 HydrophobicContact CG1-CB 4.25Å; I293-V304 HydrophobicContact CG1-CG1 4.29Å; I293-I306 HydrophobicContact CD1-CG1 4.45Å; I293-F319 HydrophobicContact CD1-CD1 4.42Å; I293-F319 HydrophobicContact CD1-CE1 4.28Å
294K91Very high89.1Confident145 Ų14562.9 Ų62.963%0.6334%0.338SS*.Hα-helixtrans-62.5-42.1173.2-76.3170.5-177.8173.50111.3G290 E291 S292 C297 R298G290-K294 WeakPolarHBondContact O-CB 3.35Å; G290-K294 WeakPolarHBondContact O-CD 3.3Å; G290-K294 WeakPolarHBondContact O-CG 3.4Å; G290-K294 PolarHBondContact O-N 3.33Å; E291-K294 PolarHBondContact O-N 2.97Å; S292-K294 VanDerWaalsContact C-N 3.34Å; S292-K294 PolarHBondContact O-N 3.22Å; K294-C297 PolarHBondContact O-N 3.16Å; K294-R298 WeakPolarHBondContact O-CB 3.49Å; K294-R298 PolarHBondContact O-N 3.46Å
295E91.3Very high89.1Confident76 Ų7660.8 Ų60.836%0.35533%0.326SS..Hα-helixtrans-64.7-42.7175.7-175.361.5-170.800111.9E291 S292 I293 C297 R298 V299E291-E295 WeakPolarHBondContact O-CB 3.29Å; E291-E295 PolarHBondContact O-N 3.18Å; S292-E295 PolarHBondContact O-N 3.45Å; I293-E295 VanDerWaalsContact C-N 3.33Å; E295-C297 VanDerWaalsContact C-N 3.29Å; E295-C297 PolarHBondContact O-N 3.39Å; E295-R298 PolarHBondContact O-N 2.99Å; E295-R298 VanDerWaalsContact O-N 3.14Å; E295-R298 IonicContact OE1-CZ 2.85Å; E295-R298 IonicContact OE1-NE 3.9Å; E295-R298 IonicContact OE1-NH2 2.8Å; E295-R298 PolarHBondContact OE1-NH2 3.08Å; E295-R298 IonicContact OE2-CZ 3.58Å; E295-R298 IonicContact OE2-NE 3.6Å; E295-R298 PolarHBondContact OE2-NE 3.48Å; E295-R298 IonicContact OE2-NH2 2.74Å; E295-R298 PolarHBondContact OE2-NH2 2.96Å; E295-V299 HydrophobicContact CG-CG2 4.16Å; E295-V299 WeakPolarHBondContact O-CB 3.41Å; E295-V299 WeakPolarHBondContact O-CG2 3.39Å; E295-V299 PolarHBondContact O-N 2.68Å; E295-V299 WeakPolarHBondContact OE1-CG2 3.49Å
296I91.3Very high88.9Confident7 Ų763.8 Ų63.84%0.03634%0.341CS..Hα-helixtrans-57-45.4173.7-68.8167.3000110V285 S292 I293 S300 V304 A331 M334 I335V285-I296 HydrophobicContact CG1-CD1 3.88Å; S292-I296 VanDerWaalsContact O-CG1 3.27Å; S292-I296 WeakPolarHBondContact O-CG1 3.25Å; S292-I296 PolarHBondContact O-N 3.02Å; I293-I296 PolarHBondContact O-N 3.48Å; I296-S300 VanDerWaalsContact O-CB 3.23Å; I296-S300 WeakPolarHBondContact O-CB 3.36Å; I296-S300 PolarHBondContact O-N 3.37Å; I296-S300 PolarHBondContact O-OG 2.93Å; I296-V304 HydrophobicContact CG2-CG2 3.92Å; I296-A331 HydrophobicContact CG2-CB 4.35Å; I296-M334 HydrophobicContact CB-CE 4.36Å; I296-M334 HydrophobicContact CG1-CB 4.09Å; I296-M334 HydrophobicContact CG2-CB 4.37Å; I296-M334 HydrophobicContact CG2-CE 4.04Å; I296-M334 VanDerWaalsContact O-CE 3.27Å; I296-M334 WeakPolarHBondContact O-CE 3.18Å; I296-I335 HydrophobicContact CD1-CG1 4.09Å; I296-I335 HydrophobicContact CG2-CG1 4.12Å
297C89.3Confident88.5Confident35 Ų3563 Ų6324%0.23634%0.339CS..Hα-helixtrans-64.4-40.8177.1-61.70000112.2I293 K294 E295 G301 A302 V304I293-C297 PolarHBondContact O-N 3.2Å; I293-C297 PolarHBondContact O-SG 3.49Å; K294-C297 PolarHBondContact O-N 3.16Å; E295-C297 VanDerWaalsContact C-N 3.29Å; E295-C297 PolarHBondContact O-N 3.39Å; C297-G301 PolarHBondContact O-N 2.8Å; C297-G301 VanDerWaalsContact O-N 3.15Å; C297-A302 VanDerWaalsContact CA-O 3.23Å; C297-A302 WeakPolarHBondContact CA-O 3.5Å; C297-A302 WeakPolarHBondContact CB-O 3.23Å; C297-V304 PolarHBondContact SG-N 2.92Å; C297-V304 VanDerWaalsContact SG-N 3.37Å
298R91.9Very high87.6Confident188 Ų18870.7 Ų70.771%0.70937%0.366SS*.Hα-helixtrans-65.3-43.7179.7-173.217775.6127.43.1112.5K294 E295K294-R298 WeakPolarHBondContact O-CB 3.49Å; K294-R298 PolarHBondContact O-N 3.46Å; E295-R298 PolarHBondContact O-N 2.99Å; E295-R298 VanDerWaalsContact O-N 3.14Å; E295-R298 IonicContact OE1-CZ 2.85Å; E295-R298 IonicContact OE1-NE 3.9Å; E295-R298 IonicContact OE1-NH2 2.8Å; E295-R298 PolarHBondContact OE1-NH2 3.08Å; E295-R298 IonicContact OE2-CZ 3.58Å; E295-R298 IonicContact OE2-NE 3.6Å; E295-R298 PolarHBondContact OE2-NE 3.48Å; E295-R298 IonicContact OE2-NH2 2.74Å; E295-R298 PolarHBondContact OE2-NH2 2.96Å
299V92.9Very high86.5Confident71 Ų7168.2 Ų68.243%0.4336%0.357SS..Hα-helixtrans-83.1-37.8-175.1174.50000112E295 M334E295-V299 HydrophobicContact CG-CG2 4.16Å; E295-V299 WeakPolarHBondContact O-CB 3.41Å; E295-V299 WeakPolarHBondContact O-CG2 3.39Å; E295-V299 PolarHBondContact O-N 2.68Å; E295-V299 WeakPolarHBondContact OE1-CG2 3.49Å; V299-M334 HydrophobicContact CB-CE 3.9Å; V299-M334 HydrophobicContact CB-SD 3.94Å; V299-M334 HydrophobicContact CG1-CE 3.97Å; V299-M334 HydrophobicContact CG1-SD 3.7Å
300S89.6Confident85.2Confident9 Ų970 Ų706%0.06336%0.355CS..Hα-helixtrans-76.4-25.1179.259.90000113.3I296 A302 E327 M334I296-S300 VanDerWaalsContact O-CB 3.23Å; I296-S300 WeakPolarHBondContact O-CB 3.36Å; I296-S300 PolarHBondContact O-N 3.37Å; I296-S300 PolarHBondContact O-OG 2.93Å; S300-A302 PolarHBondContact O-N 3.25Å; S300-A302 PolarHBondContact OG-N 2.83Å; S300-A302 PolarHBondContact OG-O 3.02Å; S300-E327 WeakPolarHBondContact O-CA 3.47Å; S300-E327 VanDerWaalsContact O-CB 3.31Å; S300-E327 WeakPolarHBondContact O-CB 3.2Å; S300-E327 WeakPolarHBondContact O-CG 3.49Å; S300-M334 VanDerWaalsContact CB-CE 3.44Å
301G86.1Confident83.8Confident44 Ų4471.2 Ų71.245%0.45436%0.36SS..  trans72.5-7.3-165.200000113.5C297C297-G301 PolarHBondContact O-N 2.8Å; C297-G301 VanDerWaalsContact O-N 3.15Å
302A87.7Confident82.6Confident2 Ų268.6 Ų68.62%0.01736%0.356CS..SBendtrans-86.1148175.700000111.1C297 S300 V321 R322 E327 A331C297-A302 VanDerWaalsContact CA-O 3.23Å; C297-A302 WeakPolarHBondContact CA-O 3.5Å; C297-A302 WeakPolarHBondContact CB-O 3.23Å; S300-A302 PolarHBondContact O-N 3.25Å; S300-A302 PolarHBondContact OG-N 2.83Å; S300-A302 PolarHBondContact OG-O 3.02Å; A302-V321 HydrophobicContact CB-CG1 3.88Å; A302-R322 CarbonylContact C-O 3.54Å; A302-R322 WeakPolarHBondContact CA-O 2.93Å; A302-R322 WeakPolarHBondContact CB-O 3.35Å; A302-E327 HydrophobicContact CB-CB 3.95Å; A302-A331 HydrophobicContact CB-CB 3.82Å
303H88.5Confident81.4Confident91 Ų9171.7 Ų71.742%0.42137%0.371SS..EExtended strand (participates in β ladder)trans-88.9110.8171.7-177.686.4000110.3E305 R322H303-E305 IonicContact NE2-OE2 2.88Å; H303-R322 HydrophobicContact CB-CB 4.28Å; H303-R322 PolarHBondContact CD2-NH2 3.46Å; H303-R322 PolarHBondContact N-O 3.45Å; H303-R322 PolarHBondContact NE2-NH2 3.12Å; H303-R322 PolarHBondContact O-N 3.23Å
304V89.2Confident80.6Confident9 Ų976.2 Ų76.26%0.05540%0.402CS..EExtended strand (participates in β ladder)trans-102.6121.6178.9-172.80000109.9I293 I296 C297 F319 N320 V321 A331 I335I293-V304 HydrophobicContact CD1-CB 4.38Å; I293-V304 HydrophobicContact CD1-CG1 4.07Å; I293-V304 HydrophobicContact CG1-CB 4.25Å; I293-V304 HydrophobicContact CG1-CG1 4.29Å; I296-V304 HydrophobicContact CG2-CG2 3.92Å; C297-V304 PolarHBondContact SG-N 2.92Å; C297-V304 VanDerWaalsContact SG-N 3.37Å; V304-F319 HydrophobicContact CG1-CB 4.21Å; V304-F319 HydrophobicContact CG1-CD1 3.95Å; V304-N320 WeakPolarHBondContact CA-O 3.48Å; V304-V321 HydrophobicContact CG1-CG2 4.31Å; V304-V321 HydrophobicContact CG2-CG1 4.25Å; V304-V321 HydrophobicContact CG2-CG2 4.32Å; V304-A331 HydrophobicContact CG2-CB 4.03Å; V304-I335 HydrophobicContact CG1-CD1 3.84Å; V304-I335 HydrophobicContact CG2-CD1 4.26Å
305E87.5Confident80Confident58 Ų5873.3 Ų73.327%0.27140%0.4SS..EExtended strand (participates in β ladder)trans-123.9145.6177.2-168.8-178.8155.700110.2H303 F319 N320 R322H303-E305 IonicContact NE2-OE2 2.88Å; E305-F319 CarbonylContact O-C 3.5Å; E305-F319 WeakPolarHBondContact O-CA 3.4Å; E305-N320 PolarHBondContact N-O 3.01Å; E305-N320 PolarHBondContact O-N 3.05Å; E305-R322 IonicContact OE2-CZ 3.16Å; E305-R322 IonicContact OE2-NH2 3.91Å; E305-R322 PolarHBondContact OE2-NH2 3.09Å
306I85.2Confident79.7Confident63 Ų6372.2 Ų72.232%0.32340%0.396SS..EExtended strand (participates in β ladder)trans-80.5125.8171.6-56.6161.9000107.7I286 I293 K308 F319I286-I306 HydrophobicContact CD1-CD1 3.41Å; I286-I306 VanDerWaalsContact CD1-CD1 3.41Å; I286-I306 HydrophobicContact CD1-CG1 4.34Å; I286-I306 HydrophobicContact CG1-CD1 3.88Å; I293-I306 HydrophobicContact CD1-CG1 4.45Å; I306-K308 PolarHBondContact O-N 2.84Å; I306-F319 HydrophobicContact CD1-CE1 4.5Å; I306-F319 HydrophobicContact CG1-CD1 4.02Å; I306-F319 HydrophobicContact CG1-CE1 3.71Å; I306-F319 HydrophobicContact CG1-CZ 4.44Å
307S79.2Confident79.4Confident17 Ų1775.9 Ų75.912%0.11941%0.412CS..  trans-56.2123174.5-670000110.1I318 N320S307-I318 WeakPolarHBondContact CB-O 3.32Å; S307-I318 PolarHBondContact N-O 3.44Å; S307-I318 WeakPolarHBondContact OG-CG2 3.36Å; S307-I318 PolarHBondContact OG-O 2.8Å; S307-N320 VanDerWaalsContact OG-CG 3.23Å; S307-N320 PolarHBondContact OG-ND2 3.31Å; S307-N320 PolarHBondContact OG-OD1 3.34Å
308K68Low79.3Confident185 Ų18575.8 Ų75.880%0.80441%0.409SS*.  trans-78.3-9.1172.7-61.8177.3-172.4171.90112.4I306I306-K308 PolarHBondContact O-N 2.84Å
309E63.1Low79.1Confident153 Ų15366.8 Ų66.872%0.71538%0.375SS*.SBendtrans-70.8125173.6-165.4161.5-171.100108.5P311E309-P311 WeakPolarHBondContact O-CD 3.44Å; E309-P311 VanDerWaalsContact O-N 3.08Å
310P57.5Low79Confident114 Ų11465 Ų6574%0.7436%0.363SS*.  trans-58.9115.8177.623.9-31.5000107.8
311P59.6Low79Confident38 Ų3864.6 Ų64.625%0.24736%0.36CS..  trans-60.3144.4175.7-17.330.7000108.5E309 D313 I316 I318E309-P311 WeakPolarHBondContact O-CD 3.44Å; E309-P311 VanDerWaalsContact O-N 3.08Å; P311-D313 PolarHBondContact O-N 2.73Å; P311-D313 VanDerWaalsContact O-N 3.13Å; P311-I316 HydrophobicContact CB-CG1 4.14Å; P311-I316 WeakPolarHBondContact CG-O 3.31Å; P311-I318 HydrophobicContact CB-CD1 4.5Å
312P63.8Low79Confident96 Ų9665.5 Ų65.562%0.62335%0.35SS*.SBendtrans-56.3-29.3175.321.6-31.3000111.5
313D66.3Low79Confident83 Ų8365.4 Ų65.444%0.44435%0.349SS..SBendtrans-110.1120.7176.7-66.7-77.2000112P311 S315 I316P311-D313 PolarHBondContact O-N 2.73Å; P311-D313 VanDerWaalsContact O-N 3.13Å; D313-S315 PolarHBondContact O-N 3.49Å; D313-S315 VanDerWaalsContact O-N 3.08Å; D313-I316 HydrophobicContact CB-CD1 4.03Å; D313-I316 HydrophobicContact CB-CG1 3.92Å; D313-I316 PolarHBondContact O-N 2.98Å
314P73.3Confident78.8Confident116 Ų11664 Ų6475%0.75334%0.344SS*.THydrogen-bonded Turntrans-65-14.4175.627.6-34.7000113.1A279 I316A279-P314 WeakPolarHBondContact CB-O 3.27Å; P314-I316 VanDerWaalsContact C-N 3.33Å
315S78.8Confident78.6Confident85 Ų8571.4 Ų71.459%0.59437%0.372SS*.THydrogen-bonded Turntrans-80.1-10.1179.7-570000113.7P278 A279 D313P278-S315 CarbonylContact C-O 3.59Å; P278-S315 WeakPolarHBondContact CA-O 3.39Å; A279-S315 PolarHBondContact N-O 3.15Å; D313-S315 PolarHBondContact O-N 3.49Å; D313-S315 VanDerWaalsContact O-N 3.08Å
316I84.4Confident78.7Confident52 Ų5276.4 Ų76.427%0.26740%0.395SS..EExtended strand (participates in β ladder)trans-125.1148178.467-174.7000110.9V277 P311 D313 P314V277-I316 CarbonylContact O-C 3.6Å; P311-I316 HydrophobicContact CB-CG1 4.14Å; P311-I316 WeakPolarHBondContact CG-O 3.31Å; D313-I316 HydrophobicContact CB-CD1 4.03Å; D313-I316 HydrophobicContact CB-CG1 3.92Å; D313-I316 PolarHBondContact O-N 2.98Å; P314-I316 VanDerWaalsContact C-N 3.33Å
317K85.8Confident79Confident84 Ų8475.4 Ų75.437%0.36539%0.389SS..EExtended strand (participates in β ladder)trans-120.2129.7169.7-68.7-166.2-176.3-167.80109V277 A279 A282 F319V277-K317 PolarHBondContact N-O 2.87Å; V277-K317 PolarHBondContact O-N 3.41Å; A279-K317 HydrophobicContact CB-CG 4.14Å; A282-K317 HydrophobicContact CB-CB 3.96Å; A282-K317 HydrophobicContact CB-CD 3.7Å; A282-K317 HydrophobicContact CB-CG 4.13Å; K317-F319 HydrophobicContact CB-CE2 4.24Å
318I86.7Confident79.5Confident33 Ų3375.1 Ų75.117%0.16939%0.386CS..EExtended strand (participates in β ladder)trans-92.1129.3179.8-57.3173.9000108.5Q274 S307 P311Q274-I318 HydrophobicContact CB-CG2 3.93Å; Q274-I318 HydrophobicContact CG-CG2 4.36Å; S307-I318 WeakPolarHBondContact CB-O 3.32Å; S307-I318 PolarHBondContact N-O 3.44Å; S307-I318 WeakPolarHBondContact OG-CG2 3.36Å; S307-I318 PolarHBondContact OG-O 2.8Å; P311-I318 HydrophobicContact CB-CD1 4.5Å
319F88.7Confident80.5Confident0 Ų071.4 Ų71.40%037%0.371CS..EExtended strand (participates in β ladder)trans-105.9120.8172.3-68-96.6000108.8Q274 Y275 V277 A282 V285 I286 I293 V304 E305 I306 K317Q274-F319 WeakPolarHBondContact CA-O 3.39Å; Y275-F319 PolarHBondContact N-O 3.22Å; Y275-F319 PolarHBondContact O-N 3.4Å; V277-F319 HydrophobicContact CB-CD2 4.06Å; V277-F319 HydrophobicContact CB-CE2 3.71Å; V277-F319 HydrophobicContact CG1-CE2 4.45Å; V277-F319 HydrophobicContact CG2-CD2 3.6Å; V277-F319 HydrophobicContact CG2-CE2 3.63Å; A282-F319 HydrophobicContact CB-CE2 3.94Å; A282-F319 HydrophobicContact CB-CZ 3.92Å; V285-F319 HydrophobicContact CB-CZ 4.27Å; V285-F319 HydrophobicContact CG1-CE1 4.1Å; V285-F319 HydrophobicContact CG1-CZ 4.15Å; I286-F319 HydrophobicContact CD1-CZ 4.42Å; I286-F319 HydrophobicContact CG1-CE1 4.1Å; I286-F319 HydrophobicContact CG1-CZ 4.22Å; I293-F319 HydrophobicContact CD1-CD1 4.42Å; I293-F319 HydrophobicContact CD1-CE1 4.28Å; V304-F319 HydrophobicContact CG1-CB 4.21Å; V304-F319 HydrophobicContact CG1-CD1 3.95Å; E305-F319 CarbonylContact O-C 3.5Å; E305-F319 WeakPolarHBondContact O-CA 3.4Å; I306-F319 HydrophobicContact CD1-CE1 4.5Å; I306-F319 HydrophobicContact CG1-CD1 4.02Å; I306-F319 HydrophobicContact CG1-CE1 3.71Å; I306-F319 HydrophobicContact CG1-CZ 4.44Å; K317-F319 HydrophobicContact CB-CE2 4.24Å
320N89.7Confident82Confident33 Ų3366.9 Ų66.918%0.17635%0.35CS..EExtended strand (participates in β ladder)trans-83.9112.3170.3-70-34.6000109Q274 V304 E305 S307Q274-N320 WeakPolarHBondContact CG-OD1 3.45Å; V304-N320 WeakPolarHBondContact CA-O 3.48Å; E305-N320 PolarHBondContact N-O 3.01Å; E305-N320 PolarHBondContact O-N 3.05Å; S307-N320 VanDerWaalsContact OG-CG 3.23Å; S307-N320 PolarHBondContact OG-ND2 3.31Å; S307-N320 PolarHBondContact OG-OD1 3.34Å
321V89.9Confident83.6Confident0 Ų061.4 Ų61.40%032%0.315CS..EExtended strand (participates in β ladder)trans-103.1114.5177.6-1740000108.1T272 S273 A302 V304 I328 A331 I332 I335T272-V321 CarbonylContact C-O 3.46Å; T272-V321 WeakPolarHBondContact CA-O 3.43Å; S273-V321 PolarHBondContact N-O 2.97Å; S273-V321 PolarHBondContact O-N 3.47Å; A302-V321 HydrophobicContact CB-CG1 3.88Å; V304-V321 HydrophobicContact CG1-CG2 4.31Å; V304-V321 HydrophobicContact CG2-CG1 4.25Å; V304-V321 HydrophobicContact CG2-CG2 4.32Å; V321-I328 HydrophobicContact CB-CG2 4.32Å; V321-I328 HydrophobicContact CG1-CB 4.17Å; V321-I328 HydrophobicContact CG1-CG1 4.12Å; V321-I328 HydrophobicContact CG1-CG2 3.96Å; V321-A331 HydrophobicContact CG1-CB 3.62Å; V321-I332 HydrophobicContact CG2-CG1 4.3Å; V321-I335 HydrophobicContact CG2-CD1 3.93Å
322R87.1Confident85.1Confident64 Ų6460.8 Ų60.824%0.24231%0.309CS..EExtended strand (participates in β ladder)trans-109.2122.2177.8-68.9-167-78.6-114.7-7.9109.8E271 T272 A302 H303 E305E271-R322 WeakPolarHBondContact O-CA 3.16Å; T272-R322 HydrophobicContact CG2-CG 3.8Å; T272-R322 WeakPolarHBondContact OG1-CG 3.14Å; A302-R322 CarbonylContact C-O 3.54Å; A302-R322 WeakPolarHBondContact CA-O 2.93Å; A302-R322 WeakPolarHBondContact CB-O 3.35Å; H303-R322 HydrophobicContact CB-CB 4.28Å; H303-R322 PolarHBondContact CD2-NH2 3.46Å; H303-R322 PolarHBondContact N-O 3.45Å; H303-R322 PolarHBondContact NE2-NH2 3.12Å; H303-R322 PolarHBondContact O-N 3.23Å; E305-R322 IonicContact OE2-CZ 3.16Å; E305-R322 IonicContact OE2-NH2 3.91Å; E305-R322 PolarHBondContact OE2-NH2 3.09Å
323G86.2Confident86.4Confident0 Ų063 Ų630%031%0.305CS..EExtended strand (participates in β ladder)trans-177.9164.8-170.600000112.4Q270 E271 E327 I328Q270-G323 CarbonylContact C-O 3.59Å; Q270-G323 WeakPolarHBondContact CA-O 3.19Å; Q270-G323 VanDerWaalsContact CG-C 3.44Å; E271-G323 PolarHBondContact N-O 3.42Å; E271-G323 PolarHBondContact O-N 2.95Å; G323-E327 WeakPolarHBondContact CA-OE2 3.24Å; G323-I328 VanDerWaalsContact O-CD1 3.25Å; G323-I328 WeakPolarHBondContact O-CD1 3.3Å; G323-I328 WeakPolarHBondContact O-CG1 3.13Å
324N85.9Confident87.6Confident61 Ų6160.5 Ų60.533%0.32629%0.291SS..  trans-57.5153.1161.6-65.7-43.8000108.1G269 Q326 E327 I328G269-N324 PolarHBondContact O-OD1 2.95Å; N324-Q326 PolarHBondContact O-N 3.46Å; N324-E327 HydrophobicContact CB-CB 4.39Å; N324-E327 HydrophobicContact CB-CG 3.95Å; N324-E327 WeakPolarHBondContact CB-OE2 3.22Å; N324-E327 PolarHBondContact N-OE2 3.36Å; N324-E327 VanDerWaalsContact ND2-CD 3.3Å; N324-E327 PolarHBondContact ND2-OE1 3.13Å; N324-E327 PolarHBondContact ND2-OE2 3.2Å; N324-E327 WeakPolarHBondContact O-CA 3.43Å; N324-E327 WeakPolarHBondContact O-CB 3.45Å; N324-E327 PolarHBondContact O-N 3.1Å; N324-I328 WeakPolarHBondContact O-CG1 3.42Å; N324-I328 PolarHBondContact O-N 3.44Å
325R85Confident88.5Confident165 Ų16555 Ų5562%0.62326%0.255SS*.Hα-helixtrans-43.5-47.3-179.9-166.5171.1167173.90.4114E271 I328 E329E271-R325 WeakPolarHBondContact OE2-CB 3.41Å; R325-I328 PolarHBondContact O-N 3.07Å; R325-E329 VanDerWaalsContact O-CG 3.32Å; R325-E329 WeakPolarHBondContact O-CG 3.47Å; R325-E329 PolarHBondContact O-N 3.18Å
326Q88.8Confident88.9Confident162 Ų16251.3 Ų51.376%0.75723%0.229SC*.Hα-helixtrans-65.6-38.9178.7-65.2-177.4-5.600113N324 Q330N324-Q326 PolarHBondContact O-N 3.46Å; Q326-Q330 VanDerWaalsContact O-CB 3.27Å; Q326-Q330 WeakPolarHBondContact O-CB 3.39Å; Q326-Q330 PolarHBondContact O-N 2.99Å
327E90.7Very high89.1Confident43 Ų4355.7 Ų55.720%0.20125%0.249CC..Hα-helixtrans-68.1-41.2177.7-61.6168.6173.200110.5S300 A302 G323 N324 Q330 A331S300-E327 WeakPolarHBondContact O-CA 3.47Å; S300-E327 VanDerWaalsContact O-CB 3.31Å; S300-E327 WeakPolarHBondContact O-CB 3.2Å; S300-E327 WeakPolarHBondContact O-CG 3.49Å; A302-E327 HydrophobicContact CB-CB 3.95Å; G323-E327 WeakPolarHBondContact CA-OE2 3.24Å; N324-E327 HydrophobicContact CB-CB 4.39Å; N324-E327 HydrophobicContact CB-CG 3.95Å; N324-E327 WeakPolarHBondContact CB-OE2 3.22Å; N324-E327 PolarHBondContact N-OE2 3.36Å; N324-E327 VanDerWaalsContact ND2-CD 3.3Å; N324-E327 PolarHBondContact ND2-OE1 3.13Å; N324-E327 PolarHBondContact ND2-OE2 3.2Å; N324-E327 WeakPolarHBondContact O-CA 3.43Å; N324-E327 WeakPolarHBondContact O-CB 3.45Å; N324-E327 PolarHBondContact O-N 3.1Å; E327-Q330 PolarHBondContact O-N 3.45Å; E327-A331 WeakPolarHBondContact O-CB 3.43Å; E327-A331 PolarHBondContact O-N 3.39Å
328I90.1Very high89Confident10 Ų1059 Ų595%0.05126%0.259CS..Hα-helixtrans-63-50.3175.5-63.1177.5000110.7E271 V321 G323 N324 R325 Q330 A331 I332E271-I328 VanDerWaalsContact C-CD1 3.48Å; E271-I328 HydrophobicContact CB-CD1 3.36Å; E271-I328 WeakPolarHBondContact O-CD1 3.25Å; V321-I328 HydrophobicContact CB-CG2 4.32Å; V321-I328 HydrophobicContact CG1-CB 4.17Å; V321-I328 HydrophobicContact CG1-CG1 4.12Å; V321-I328 HydrophobicContact CG1-CG2 3.96Å; G323-I328 VanDerWaalsContact O-CD1 3.25Å; G323-I328 WeakPolarHBondContact O-CD1 3.3Å; G323-I328 WeakPolarHBondContact O-CG1 3.13Å; N324-I328 WeakPolarHBondContact O-CG1 3.42Å; N324-I328 PolarHBondContact O-N 3.44Å; R325-I328 PolarHBondContact O-N 3.07Å; I328-Q330 PolarHBondContact O-N 3.24Å; I328-A331 PolarHBondContact O-N 3.3Å; I328-I332 HydrophobicContact CG2-CD1 3.58Å; I328-I332 HydrophobicContact CG2-CG1 4.17Å; I328-I332 WeakPolarHBondContact O-CB 3.5Å; I328-I332 VanDerWaalsContact O-CG1 3.31Å; I328-I332 WeakPolarHBondContact O-CG1 3.36Å; I328-I332 PolarHBondContact O-N 2.96Å
329E90.3Very high88.7Confident108 Ų10857.4 Ų57.451%0.50525%0.251SS..Hα-helixtrans-58.6-40.4179.2-73.8174.4132.100110.9R325 R333R325-E329 VanDerWaalsContact O-CG 3.32Å; R325-E329 WeakPolarHBondContact O-CG 3.47Å; R325-E329 PolarHBondContact O-N 3.18Å; E329-R333 WeakPolarHBondContact O-CB 3.12Å; E329-R333 PolarHBondContact O-N 3.08Å
330Q92.6Very high87.9Confident57 Ų5760.2 Ų60.227%0.26628%0.28SS..Hα-helixtrans-65-44.8175.4-177.165.40.500112.6Q326 E327 I328 R333 M334Q326-Q330 VanDerWaalsContact O-CB 3.27Å; Q326-Q330 WeakPolarHBondContact O-CB 3.39Å; Q326-Q330 PolarHBondContact O-N 2.99Å; E327-Q330 PolarHBondContact O-N 3.45Å; I328-Q330 PolarHBondContact O-N 3.24Å; Q330-R333 PolarHBondContact O-N 3.38Å; Q330-R333 VanDerWaalsContact OE1-CZ 3.22Å; Q330-M334 HydrophobicContact CG-CE 4.27Å; Q330-M334 WeakPolarHBondContact O-CG 3.47Å; Q330-M334 PolarHBondContact O-N 2.61Å; Q330-M334 VanDerWaalsContact O-N 3.08Å
331A92.3Very high86.6Confident0 Ų061 Ų610%028%0.283CS..Hα-helixtrans-64-46.5177.100000111.9I296 A302 V304 V321 E327 I328 R333 M334 I335I296-A331 HydrophobicContact CG2-CB 4.35Å; A302-A331 HydrophobicContact CB-CB 3.82Å; V304-A331 HydrophobicContact CG2-CB 4.03Å; V321-A331 HydrophobicContact CG1-CB 3.62Å; E327-A331 WeakPolarHBondContact O-CB 3.43Å; E327-A331 PolarHBondContact O-N 3.39Å; I328-A331 PolarHBondContact O-N 3.3Å; A331-R333 VanDerWaalsContact C-N 3.3Å; A331-R333 PolarHBondContact O-N 3.34Å; A331-M334 PolarHBondContact O-N 2.91Å; A331-I335 WeakPolarHBondContact O-CD1 3.4Å; A331-I335 WeakPolarHBondContact O-CG1 3.36Å; A331-I335 PolarHBondContact O-N 3.43Å
332I91.5Very high84.8Confident25 Ų2565.8 Ų65.813%0.12831%0.314CS..Hα-helixtrans-58.9-43.1176.8-70.1174.4000110.4Y275 V321 I328 M334 I335 S336Y275-I332 HydrophobicContact CD2-CG1 4.36Å; Y275-I332 HydrophobicContact CD2-CG2 3.65Å; Y275-I332 HydrophobicContact CE2-CG2 3.66Å; Y275-I332 HydrophobicContact CG-CG1 4.45Å; Y275-I332 HydrophobicContact CG-CG2 4.29Å; V321-I332 HydrophobicContact CG2-CG1 4.3Å; I328-I332 HydrophobicContact CG2-CD1 3.58Å; I328-I332 HydrophobicContact CG2-CG1 4.17Å; I328-I332 WeakPolarHBondContact O-CB 3.5Å; I328-I332 VanDerWaalsContact O-CG1 3.31Å; I328-I332 WeakPolarHBondContact O-CG1 3.36Å; I328-I332 PolarHBondContact O-N 2.96Å; I332-M334 PolarHBondContact O-N 3.22Å; I332-I335 PolarHBondContact O-N 2.87Å; I332-S336 WeakPolarHBondContact O-CB 3.46Å; I332-S336 PolarHBondContact O-N 3.11Å; I332-S336 PolarHBondContact O-OG 2.84Å
333R91.2Very high82.9Confident142 Ų14268.8 Ų68.854%0.53633%0.333SS..Hα-helixtrans-58.7-48.9176-172.7172.468.8176.74.4111.6E329 Q330 A331 I335 S336 E337E329-R333 WeakPolarHBondContact O-CB 3.12Å; E329-R333 PolarHBondContact O-N 3.08Å; Q330-R333 PolarHBondContact O-N 3.38Å; Q330-R333 VanDerWaalsContact OE1-CZ 3.22Å; A331-R333 VanDerWaalsContact C-N 3.3Å; A331-R333 PolarHBondContact O-N 3.34Å; R333-I335 PolarHBondContact O-N 2.96Å; R333-S336 PolarHBondContact O-N 3.38Å; R333-S336 PolarHBondContact O-OG 3.1Å; R333-E337 WeakPolarHBondContact O-CB 3.45Å; R333-E337 PolarHBondContact O-N 2.81Å
334M91.1Very high80.9Confident31 Ų3174.7 Ų74.715%0.15337%0.369CS..Hα-helixtrans-64.6-38177.7-69.7-167.1-72.500112.8I296 V299 S300 Q330 A331 I332 E337 R338I296-M334 HydrophobicContact CB-CE 4.36Å; I296-M334 HydrophobicContact CG1-CB 4.09Å; I296-M334 HydrophobicContact CG2-CB 4.37Å; I296-M334 HydrophobicContact CG2-CE 4.04Å; I296-M334 VanDerWaalsContact O-CE 3.27Å; I296-M334 WeakPolarHBondContact O-CE 3.18Å; V299-M334 HydrophobicContact CB-CE 3.9Å; V299-M334 HydrophobicContact CB-SD 3.94Å; V299-M334 HydrophobicContact CG1-CE 3.97Å; V299-M334 HydrophobicContact CG1-SD 3.7Å; S300-M334 VanDerWaalsContact CB-CE 3.44Å; Q330-M334 HydrophobicContact CG-CE 4.27Å; Q330-M334 WeakPolarHBondContact O-CG 3.47Å; Q330-M334 PolarHBondContact O-N 2.61Å; Q330-M334 VanDerWaalsContact O-N 3.08Å; A331-M334 PolarHBondContact O-N 2.91Å; I332-M334 PolarHBondContact O-N 3.22Å; M334-E337 PolarHBondContact O-N 3.39Å; M334-R338 WeakPolarHBondContact O-CB 3.47Å; M334-R338 PolarHBondContact O-N 2.82Å
335I91.2Very high78.8Confident0 Ų081.4 Ų81.40%039%0.39CS..Hα-helixtrans-63.6-44.8175.3-66162.7000110.3Y275 V277 V285 I296 V304 V321 A331 I332 R333 R338 A339Y275-I335 HydrophobicContact CD1-CB 4.25Å; Y275-I335 HydrophobicContact CD1-CG2 3.53Å; Y275-I335 HydrophobicContact CE1-CB 4.31Å; Y275-I335 HydrophobicContact CE1-CG2 3.61Å; V277-I335 HydrophobicContact CG2-CG2 3.64Å; V285-I335 HydrophobicContact CG1-CB 4.25Å; V285-I335 HydrophobicContact CG1-CG1 3.99Å; V285-I335 HydrophobicContact CG1-CG2 3.77Å; V285-I335 HydrophobicContact CG2-CG2 3.99Å; I296-I335 HydrophobicContact CD1-CG1 4.09Å; I296-I335 HydrophobicContact CG2-CG1 4.12Å; V304-I335 HydrophobicContact CG1-CD1 3.84Å; V304-I335 HydrophobicContact CG2-CD1 4.26Å; V321-I335 HydrophobicContact CG2-CD1 3.93Å; A331-I335 WeakPolarHBondContact O-CD1 3.4Å; A331-I335 WeakPolarHBondContact O-CG1 3.36Å; A331-I335 PolarHBondContact O-N 3.43Å; I332-I335 PolarHBondContact O-N 2.87Å; R333-I335 PolarHBondContact O-N 2.96Å; I335-R338 PolarHBondContact O-N 3.38Å; I335-A339 WeakPolarHBondContact O-CB 3.31Å; I335-A339 PolarHBondContact O-N 2.92Å
336S87.3Confident76.5Confident7 Ų780.1 Ų80.15%0.04940%0.403CS..Hα-helixtrans-62.3-42.6178.573.80000112.3Y275 I332 R333 A339 G340 I341Y275-S336 WeakPolarHBondContact OH-CB 3.18Å; I332-S336 WeakPolarHBondContact O-CB 3.46Å; I332-S336 PolarHBondContact O-N 3.11Å; I332-S336 PolarHBondContact O-OG 2.84Å; R333-S336 PolarHBondContact O-N 3.38Å; R333-S336 PolarHBondContact O-OG 3.1Å; S336-A339 PolarHBondContact O-N 3.13Å; S336-G340 PolarHBondContact O-N 2.84Å; S336-G340 VanDerWaalsContact O-N 3.1Å; S336-I341 PolarHBondContact O-N 3.43Å
337E88.7Confident74.2Confident145 Ų14574.9 Ų74.968%0.67839%0.387SS*.Hα-helixtrans-64.4-43.5177.7-172.5177.6164.900111.2R333 M334 G340R333-E337 WeakPolarHBondContact O-CB 3.45Å; R333-E337 PolarHBondContact O-N 2.81Å; M334-E337 PolarHBondContact O-N 3.39Å; E337-G340 PolarHBondContact O-N 2.85Å; E337-G340 VanDerWaalsContact O-N 3.17Å
338R84Confident71.8Confident152 Ų15278.5 Ų78.557%0.57441%0.412SS*.Hα-helixtrans-73.6-31179.1-142.170.2173.1163.6-1.5113.5V285 M334 I335 G340V285-R338 HydrophobicContact CG2-CB 4.29Å; M334-R338 WeakPolarHBondContact O-CB 3.47Å; M334-R338 PolarHBondContact O-N 2.82Å; I335-R338 PolarHBondContact O-N 3.38Å; R338-G340 PolarHBondContact O-N 3.23Å
339A81.6Confident69.3Low1 Ų184.6 Ų84.61%0.00845%0.45CS..Hα-helixtrans-73-13.5171.800000112.4V277 K281 V285 I335 S336 I341V277-A339 HydrophobicContact CG1-CB 3.72Å; K281-A339 HydrophobicContact CB-CB 4.09Å; K281-A339 WeakPolarHBondContact CD-O 3.45Å; K281-A339 WeakPolarHBondContact CG-O 3.42Å; V285-A339 HydrophobicContact CG2-CB 3.78Å; I335-A339 WeakPolarHBondContact O-CB 3.31Å; I335-A339 PolarHBondContact O-N 2.92Å; S336-A339 PolarHBondContact O-N 3.13Å; A339-I341 HydrophobicContact CB-CD1 3.6Å; A339-I341 HydrophobicContact CB-CG1 3.68Å; A339-I341 PolarHBondContact O-N 3.13Å
340G71.7Confident66.8Low58 Ų5885.7 Ų85.760%0.59846%0.464SS*.THydrogen-bonded Turntrans64.826.7-174.500000112.5S336 E337 R338 P342S336-G340 PolarHBondContact O-N 2.84Å; S336-G340 VanDerWaalsContact O-N 3.1Å; E337-G340 PolarHBondContact O-N 2.85Å; E337-G340 VanDerWaalsContact O-N 3.17Å; R338-G340 PolarHBondContact O-N 3.23Å; G340-P342 WeakPolarHBondContact O-CD 3.49Å
341I61.5Low63.9Low50 Ų5086.9 Ų86.926%0.25649%0.492SS..  trans-89.7114177-55.1167.1000106.4V277 P278 S336 A339 M343V277-I341 HydrophobicContact CG1-CD1 4.21Å; P278-I341 HydrophobicContact CG-CD1 4.49Å; S336-I341 PolarHBondContact O-N 3.43Å; A339-I341 HydrophobicContact CB-CD1 3.6Å; A339-I341 HydrophobicContact CB-CG1 3.68Å; A339-I341 PolarHBondContact O-N 3.13Å; I341-M343 PolarHBondContact O-N 3.48Å
342P52.5Low61.2Low100 Ų10091.5 Ų91.565%0.64953%0.53SS*.  trans-61.7124.3173.425.3-31.4000108.7G340 T344G340-P342 WeakPolarHBondContact O-CD 3.49Å; P342-T344 VanDerWaalsContact C-N 3.29Å; P342-T344 PolarHBondContact O-N 2.8Å
343M46.2Very low59.3Low127 Ų12796.6 Ų96.663%0.62656%0.562SS**  trans-6389.4174.9-163.4101.6-176.500108.9I341 R345I341-M343 PolarHBondContact O-N 3.48Å; M343-R345 VanDerWaalsContact C-N 3.31Å; M343-R345 PolarHBondContact O-N 2.73Å
344T44.4Very low56.9Low125 Ų12596 Ų9677%0.76758%0.577SS**  trans-71.693.4167.857.10000106.9P342P342-T344 VanDerWaalsContact C-N 3.29Å; P342-T344 PolarHBondContact O-N 2.8Å
345R43.3Very low54.5Low201 Ų20197.6 Ų97.676%0.75860%0.602SS**  trans-50.4133.7162.4-88.2169.159.5-179.7-2107.9M343 A347M343-R345 VanDerWaalsContact C-N 3.31Å; M343-R345 PolarHBondContact O-N 2.73Å; R345-A347 HydrophobicContact CB-CB 4.19Å; R345-A347 PolarHBondContact O-N 2.85Å
346P36.4Very low52.1Low139 Ų139102.7 Ų102.790%0.90363%0.634SS**  trans-69.789.9157.529.2-27.1000106.2
347A39.9Very low49.6Very low51 Ų51114 Ų11442%0.42168%0.676SS.*  trans-134.796170.900000107R345R345-A347 HydrophobicContact CB-CB 4.19Å; R345-A347 PolarHBondContact O-N 2.85Å
348T39.1Very low47.1Very low119 Ų119110.7 Ų110.773%0.7368%0.681SS**  trans47102.3133.3-38.30000116.2T350T348-T350 PolarHBondContact O-N 2.85Å; T348-T350 PolarHBondContact O-OG1 3.38Å
349T37.6Very low45Very low139 Ų139110.9 Ų110.985%0.85369%0.688SS**  trans11.490.1136.7-54.80000114.3
350T38Very low42.9Very low130 Ų130120.9 Ų120.980%0.79873%0.727SS**  trans-147.978.8153.215.90000106.6T348 A352T348-T350 PolarHBondContact O-N 2.85Å; T348-T350 PolarHBondContact O-OG1 3.38Å; T350-A352 PolarHBondContact O-N 3.37Å; T350-A352 VanDerWaalsContact O-N 3.13Å
351G32.7Very low41.3Very low83 Ų83121.4 Ų121.486%0.85673%0.733SS**  trans-60.5110.3162.500000108.2
352A36.4Very low40.5Very low96 Ų96130.3 Ų130.379%0.79377%0.765SS**  trans-128.770.6168.400000107.3T350T350-A352 PolarHBondContact O-N 3.37Å; T350-A352 VanDerWaalsContact O-N 3.13Å
353V50.2Low40.2Very low133 Ų133131 Ų13181%0.80677%0.769SS**  trans-76.6130.9157-73.40000107.3G355V353-G355 PolarHBondContact O-N 3.14Å
354P41.9Very low40Very low128 Ų128132.6 Ų132.683%0.83178%0.775SS**  trans-74.3114172.11.714.4000108.1
355G40.3Very low39.8Very low66 Ų66130.7 Ų130.768%0.6877%0.772SS**  trans-67.4164.3167.100000111.7V353V353-G355 PolarHBondContact O-N 3.14Å
356P40.2Very low39.7Very low106 Ų106127.7 Ų127.769%0.68877%0.771SS**  -130.4170.397.921.1-2.3000112
357W35.5Very low39.8Very low246 Ų246126 Ų12693%0.93276%0.76SS**  trans102.4107.5169-47.9105.3000117.8
358G36.2Very low39.6Very low75 Ų75135.2 Ų135.277%0.77378%0.784SS**  trans88.999.2150.700000115.7
359Q39.9Very low39.8Very low155 Ų155135.9 Ų135.972%0.72479%0.788SS**  cis80.9119.347.7-149.7-176.6-5.700114.1
360Y37.5Very low39.6Very low211 Ų211138.7 Ų138.783%0.82779%0.794SS**  trans75.5129176-59.9-79.8000116.2
361G37Very low39.7Very low70 Ų70137.3 Ų137.372%0.72280%0.795SS**  cis-169.1167.211.900000111.6
362Y45.6Very low40.1Very low237 Ų237139.8 Ų139.893%0.92979%0.789SS**  trans-73.6172.8-158.1-102.7-111000117.7
363P45.4Very low39.9Very low113 Ų113141.4 Ų141.473%0.73479%0.793SS**  trans-105175.1-157.942-33.9000114.7
364H42.6Very low39.4Very low162 Ų162139 Ų13975%0.7579%0.787SS**  trans-136.2125.6160.2-172.3-58.6000109.7D366H364-D366 IonicContact CE1-OD2 3.13Å; H364-D366 PolarHBondContact CE1-OD2 3.38Å; H364-D366 IonicContact ND1-OD2 3.5Å; H364-D366 PolarHBondContact ND1-OD2 2.95Å
365A39.4Very low39.2Very low85 Ų85140.9 Ų140.970%0.70279%0.785SS**  trans-96.1145.6179.500000110.8
366D42.7Very low39Very low138 Ų138144.1 Ų144.174%0.73880%0.797SS**  trans-145.4150.3155.8-83.3-55.9000110.4H364H364-D366 IonicContact CE1-OD2 3.13Å; H364-D366 PolarHBondContact CE1-OD2 3.38Å; H364-D366 IonicContact ND1-OD2 3.5Å; H364-D366 PolarHBondContact ND1-OD2 2.95Å
367P37.6Very low38.7Very low102 Ų102142.6 Ų142.666%0.66279%0.793SS**  trans-121.8101.9-137.632.5-15.3000112.5
368W36.9Very low38.6Very low246 Ų246138.1 Ų138.193%0.93279%0.793SS**  trans-151.63.8169.8-95.2101.4000117.9
369T41.8Very low38.5Very low132 Ų132139.5 Ų139.581%0.8180%0.797SS**  trans-147.385-168.240.60000112.8
370M33.2Very low38.3Very low199 Ų199136.6 Ų136.698%0.9880%0.8SS**  trans177.889.3153.4-104.5170.5157.100112.1
371A40.4Very low38.3Very low100 Ų100130.9 Ų130.983%0.82680%0.796SS**  trans-15847.8157.900000110.9
372N41.6Very low38.8Very low135 Ų135131.6 Ų131.672%0.72280%0.795SS**  trans-11445.6160.8-150.7-8.4000110.2A374N372-A374 VanDerWaalsContact C-N 3.26Å; N372-A374 PolarHBondContact O-N 3.29Å
373C33Very low39.2Very low130 Ų130126.3 Ų126.388%0.87878%0.78SS**  trans-86.866.7166.8-176.40000107.8
374A38.1Very low39.8Very low82 Ų82123.8 Ų123.868%0.67876%0.763SS**SBendtrans-167.736.817500000113.9N372N372-A374 VanDerWaalsContact C-N 3.26Å; N372-A374 PolarHBondContact O-N 3.29Å
375Q38.4Very low40.5Very low168 Ų168120 Ų12079%0.78576%0.761SS**  trans-15442.4171.3-132.6135.331.400114.6
376S35.7Very low41.5Very low135 Ų135119.3 Ų119.394%0.94475%0.749SS**  trans-99.868.4166.5-60.50000109.3
377A34.7Very low42.3Very low74 Ų74116.3 Ų116.361%0.61274%0.736SS**SBendtrans-152.4111.5170.800000109.7
378V33.6Very low43.5Very low152 Ų152119.2 Ų119.292%0.92173%0.734SS**  trans56.477.8152.7-590000117.8
379A34.2Very low44.4Very low103 Ų103109.4 Ų109.485%0.85170%0.7SS**  trans-134.1133.3161.300000110.7
380A35.1Very low45.4Very low95 Ų95108.7 Ų108.779%0.78570%0.698SS**  trans-55.7162.8-169.200000115.2A382A380-A382 PolarHBondContact O-N 3.34Å
381A37.4Very low46.7Very low91 Ų91108.7 Ų108.775%0.75269%0.688SS**  trans-61.661.9177.700000114.4
382A47.1Very low47.9Very low84 Ų84108 Ų10869%0.69468%0.675SS**PPolyproline II helixtrans-79.7134.217000000109.8A380A380-A382 PolarHBondContact O-N 3.34Å
383M55.4Low49Very low127 Ų127103.5 Ų103.563%0.62666%0.659SS**PPolyproline II helixtrans-59147.7174.5-68.9-163.5153.400111.2Y404M383-Y404 HydrophobicContact CE-CD2 4.16Å
384P58.1Low50.1Low59 Ų59103.3 Ų103.338%0.38365%0.646SS.*PPolyproline II helixtrans-59140.3172.825.7-33.3000110E403P384-E403 HydrophobicContact CG-CG 4.34Å
385A56.3Low51.3Low84 Ų84101.1 Ų101.169%0.69462%0.624SS**PPolyproline II helixtrans-57.6144.1178.300000111T387A385-T387 PolarHBondContact O-N 2.93Å
386P59.6Low52.8Low69 Ų6994.5 Ų94.545%0.44860%0.595SS.*PPolyproline II helixtrans-60.4130179.724.1-32.4000110.6P395 Y397P386-P395 HydrophobicContact CB-CB 4.08Å; P386-Y397 HydrophobicContact CB-CD1 4.01Å; P386-Y397 HydrophobicContact CB-CE1 3.8Å; P386-Y397 HydrophobicContact CG-CE1 4.24Å
387T60.8Low54.7Low76 Ų7693.8 Ų93.847%0.46657%0.572SS.*EExtended strand (participates in β ladder)trans-75.9147.2169.452.90000108.8A385 D396A385-T387 PolarHBondContact O-N 2.93Å; T387-D396 CarbonylContact O-C 3.6Å; T387-D396 VanDerWaalsContact O-CA 3.29Å; T387-D396 WeakPolarHBondContact O-CA 3.38Å; T387-D396 VanDerWaalsContact O-CB 3.25Å; T387-D396 WeakPolarHBondContact O-CB 3.27Å; T387-D396 PolarHBondContact O-N 3.08Å; T387-D396 PolarHBondContact OG1-O 2.6Å
388Y62.6Low56.7Low162 Ų16291.7 Ų91.764%0.63555%0.553SS**EExtended strand (participates in β ladder)trans-92.1131.6177.9-121.1-117.6000109.9P390 G393 P395Y388-P390 WeakPolarHBondContact O-CD 3.39Å; Y388-G393 WeakPolarHBondContact CE1-O 3.45Å; Y388-G393 VanDerWaalsContact CZ-O 3.27Å; Y388-G393 PolarHBondContact OH-O 2.86Å; Y388-P395 HydrophobicContact CD2-CB 4.44Å; Y388-P395 HydrophobicContact CE2-CB 4.25Å
389N56.1Low58.7Low40 Ų4086.2 Ų86.221%0.21452%0.523CS..PPolyproline II helixtrans-70.5119.8175.5-179.7-7.6000109.2Y391 T392 G393 Q394 D396N389-Y391 PolarHBondContact O-N 2.89Å; N389-Y391 VanDerWaalsContact O-N 3.08Å; N389-Y391 WeakPolarHBondContact OD1-CD2 3.23Å; N389-Y391 PolarHBondContact OD1-N 3.14Å; N389-Y391 VanDerWaalsContact OD1-N 3.11Å; N389-T392 WeakPolarHBondContact CB-OG1 3.15Å; N389-T392 PolarHBondContact ND2-OG1 3.34Å; N389-T392 PolarHBondContact O-N 2.92Å; N389-G393 PolarHBondContact O-N 3.18Å; N389-Q394 PolarHBondContact N-O 3.21Å; N389-D396 HydrophobicContact CB-CB 4.07Å
390P62.8Low60.6Low118 Ų11882.1 Ų82.177%0.76649%0.49SS*.THydrogen-bonded Turntrans-64.2-15-17625.7-34.8000114.2Y388Y388-P390 WeakPolarHBondContact O-CD 3.39Å
391Y60.5Low62.3Low198 Ų19883 Ų8378%0.77647%0.473SS*.THydrogen-bonded Turntrans-95.8-29.5-178.5-61.3-77.2000114.3N389N389-Y391 PolarHBondContact O-N 2.89Å; N389-Y391 VanDerWaalsContact O-N 3.08Å; N389-Y391 WeakPolarHBondContact OD1-CD2 3.23Å; N389-Y391 PolarHBondContact OD1-N 3.14Å; N389-Y391 VanDerWaalsContact OD1-N 3.11Å
392T64.3Low64.3Low87 Ų8778.8 Ų78.853%0.53444%0.437SS..THydrogen-bonded Turntrans-113.1-13.8-174.754.70000113.2N389 Q394N389-T392 WeakPolarHBondContact CB-OG1 3.15Å; N389-T392 PolarHBondContact ND2-OG1 3.34Å; N389-T392 PolarHBondContact O-N 2.92Å; T392-Q394 PolarHBondContact O-N 3.27Å; T392-Q394 VanDerWaalsContact O-N 3.16Å; T392-Q394 PolarHBondContact OG1-N 2.84Å
393G65.3Low65.7Low39 Ų3977.7 Ų77.740%0.40242%0.418SS..  trans57.825.2-171.600000112.1Y388 N389Y388-G393 WeakPolarHBondContact CE1-O 3.45Å; Y388-G393 VanDerWaalsContact CZ-O 3.27Å; Y388-G393 PolarHBondContact OH-O 2.86Å; N389-G393 PolarHBondContact O-N 3.18Å
394Q55.4Low66.8Low127 Ų12775.8 Ų75.859%0.59341%0.405SS*.SBendtrans-102.2146.6174.8-74-85.4-3600108.8N389 T392 D396N389-Q394 PolarHBondContact N-O 3.21Å; T392-Q394 PolarHBondContact O-N 3.27Å; T392-Q394 VanDerWaalsContact O-N 3.16Å; T392-Q394 PolarHBondContact OG1-N 2.84Å; Q394-D396 PolarHBondContact O-N 3.42Å; Q394-D396 VanDerWaalsContact O-N 3.08Å
395P64Low67.8Low35 Ų3574.7 Ų74.723%0.22739%0.393CS..EExtended strand (participates in β ladder)trans-59.2115.5171.323.9-31.2000109.8P386 Y388 Y397P386-P395 HydrophobicContact CB-CB 4.08Å; Y388-P395 HydrophobicContact CD2-CB 4.44Å; Y388-P395 HydrophobicContact CE2-CB 4.25Å; P395-Y397 HydrophobicContact CB-CD2 4.47Å; P395-Y397 HydrophobicContact CB-CE1 4.36Å; P395-Y397 HydrophobicContact CB-CE2 3.77Å; P395-Y397 HydrophobicContact CG-CE2 3.68Å; P395-Y397 VanDerWaalsContact O-CD2 3.3Å; P395-Y397 WeakPolarHBondContact O-CD2 3.37Å; P395-Y397 WeakPolarHBondContact O-CE2 3.42Å; P395-Y397 PolarHBondContact O-N 3.4Å
396D69.6Low69Low30 Ų3076.1 Ų76.116%0.1638%0.38CS..EExtended strand (participates in β ladder)trans-8399.8173.5-163.3-43.8000109T387 N389 Q394 S398T387-D396 CarbonylContact O-C 3.6Å; T387-D396 VanDerWaalsContact O-CA 3.29Å; T387-D396 WeakPolarHBondContact O-CA 3.38Å; T387-D396 VanDerWaalsContact O-CB 3.25Å; T387-D396 WeakPolarHBondContact O-CB 3.27Å; T387-D396 PolarHBondContact O-N 3.08Å; T387-D396 PolarHBondContact OG1-O 2.6Å; N389-D396 HydrophobicContact CB-CB 4.07Å; Q394-D396 PolarHBondContact O-N 3.42Å; Q394-D396 VanDerWaalsContact O-N 3.08Å; D396-S398 WeakPolarHBondContact OD1-CA 3.42Å; D396-S398 WeakPolarHBondContact OD1-CB 3.29Å; D396-S398 PolarHBondContact OD1-N 2.74Å; D396-S398 PolarHBondContact OD1-OG 2.74Å
397Y76.1Confident70.1Confident119 Ų11980.9 Ų80.947%0.46739%0.39SS..  trans-82-0.8175-59.7-77.3000112.7P386 P395 A399 A400 W401P386-Y397 HydrophobicContact CB-CD1 4.01Å; P386-Y397 HydrophobicContact CB-CE1 3.8Å; P386-Y397 HydrophobicContact CG-CE1 4.24Å; P395-Y397 HydrophobicContact CB-CD2 4.47Å; P395-Y397 HydrophobicContact CB-CE1 4.36Å; P395-Y397 HydrophobicContact CB-CE2 3.77Å; P395-Y397 HydrophobicContact CG-CE2 3.68Å; P395-Y397 VanDerWaalsContact O-CD2 3.3Å; P395-Y397 WeakPolarHBondContact O-CD2 3.37Å; P395-Y397 WeakPolarHBondContact O-CE2 3.42Å; P395-Y397 PolarHBondContact O-N 3.4Å; Y397-A399 PolarHBondContact O-N 2.93Å; Y397-A400 PolarHBondContact O-N 2.84Å; Y397-W401 PolarHBondContact O-N 2.88Å
398S76.3Confident70.9Confident30 Ų3082.7 Ų82.721%0.2139%0.393CS..Hα-helixtrans-60.1-35.5-175.2-46.40000111.4D396 A402 I417D396-S398 WeakPolarHBondContact OD1-CA 3.42Å; D396-S398 WeakPolarHBondContact OD1-CB 3.29Å; D396-S398 PolarHBondContact OD1-N 2.74Å; D396-S398 PolarHBondContact OD1-OG 2.74Å; S398-A402 WeakPolarHBondContact O-CB 3.31Å; S398-A402 PolarHBondContact O-N 2.98Å; S398-I417 VanDerWaalsContact O-CG2 3.24Å; S398-I417 WeakPolarHBondContact O-CG2 3.43Å
399A75.1Confident71.3Confident37 Ų3776.3 Ų76.331%0.30638%0.376SS..Hα-helixtrans-66.7-42.817400000112.7Y397 A402 E403Y397-A399 PolarHBondContact O-N 2.93Å; A399-A402 PolarHBondContact O-N 3.45Å; A399-E403 WeakPolarHBondContact O-CG 3.25Å; A399-E403 PolarHBondContact O-N 3.25Å
400A74.8Confident72.2Confident17 Ų1778.6 Ų78.614%0.1439%0.386CS..Hα-helixtrans-66.6-39.8177.500000111.6Y397 E403 Y404Y397-A400 PolarHBondContact O-N 2.84Å; A400-E403 PolarHBondContact O-N 3.1Å; A400-Y404 WeakPolarHBondContact O-CB 3.44Å; A400-Y404 PolarHBondContact O-N 3.1Å
401W71.2Confident73Confident115 Ų11578.4 Ų78.444%0.43638%0.375SS..Hα-helixtrans-66.9-43.3173.6-71.1121000111.8Y397 E403 Y404 Y405 I417Y397-W401 PolarHBondContact O-N 2.88Å; W401-E403 VanDerWaalsContact C-N 3.29Å; W401-E403 PolarHBondContact O-N 3.49Å; W401-Y404 HydrophobicContact CE3-CD1 4.29Å; W401-Y404 HydrophobicContact CE3-CG 4.48Å; W401-Y404 HydrophobicContact CZ3-CD1 4.42Å; W401-Y404 WeakPolarHBondContact O-CB 3.36Å; W401-Y404 PolarHBondContact O-N 3.43Å; W401-Y404 VanDerWaalsContact O-N 3.1Å; W401-Y405 HydrophobicContact CB-CD2 4.46Å; W401-Y405 HydrophobicContact CB-CE2 4.46Å; W401-Y405 HydrophobicContact CE3-CE2 4.46Å; W401-Y405 WeakPolarHBondContact O-CD2 3.16Å; W401-Y405 PolarHBondContact O-N 3.41Å; W401-I417 HydrophobicContact CB-CD1 4.13Å; W401-I417 HydrophobicContact CB-CG2 4.32Å
402A79.9Confident73.9Confident1 Ų177.3 Ų77.31%0.00838%0.377CS..Hα-helixtrans-59.9-40.7175.600000111.4S398 A399 R406 A414 I417 L418S398-A402 WeakPolarHBondContact O-CB 3.31Å; S398-A402 PolarHBondContact O-N 2.98Å; A399-A402 PolarHBondContact O-N 3.45Å; A402-R406 WeakPolarHBondContact O-CB 3.17Å; A402-R406 PolarHBondContact O-N 3.09Å; A402-A414 HydrophobicContact CB-CB 4.25Å; A402-A414 VanDerWaalsContact O-CB 3.22Å; A402-A414 WeakPolarHBondContact O-CB 3.36Å; A402-I417 HydrophobicContact CB-CG2 4.45Å; A402-L418 HydrophobicContact CB-CD1 3.93Å; A402-L418 HydrophobicContact CB-CD2 4.25Å; A402-L418 HydrophobicContact CB-CG 3.71Å
403E76.2Confident74.6Confident61 Ų6175.4 Ų75.429%0.28537%0.367SS..Hα-helixtrans-64.2-41.3172.2-79.1-112.7107.700112.7P384 A399 A400 W401 R406 R407P384-E403 HydrophobicContact CG-CG 4.34Å; A399-E403 WeakPolarHBondContact O-CG 3.25Å; A399-E403 PolarHBondContact O-N 3.25Å; A400-E403 PolarHBondContact O-N 3.1Å; W401-E403 VanDerWaalsContact C-N 3.29Å; W401-E403 PolarHBondContact O-N 3.49Å; E403-R406 PolarHBondContact O-N 3.15Å; E403-R406 IonicContact OE1-NH1 2.74Å; E403-R406 PolarHBondContact OE1-NH1 2.92Å; E403-R407 WeakPolarHBondContact O-CB 3.44Å; E403-R407 WeakPolarHBondContact O-CG 3.46Å; E403-R407 PolarHBondContact O-N 3.27Å
404Y78.3Confident75.2Confident88 Ų8873.8 Ų73.835%0.34535%0.35SS..Hα-helixtrans-60.5-50.8175.4176.2-94.9000111.3M383 A400 W401 R406 R407 Q408M383-Y404 HydrophobicContact CE-CD2 4.16Å; A400-Y404 WeakPolarHBondContact O-CB 3.44Å; A400-Y404 PolarHBondContact O-N 3.1Å; W401-Y404 HydrophobicContact CE3-CD1 4.29Å; W401-Y404 HydrophobicContact CE3-CG 4.48Å; W401-Y404 HydrophobicContact CZ3-CD1 4.42Å; W401-Y404 WeakPolarHBondContact O-CB 3.36Å; W401-Y404 PolarHBondContact O-N 3.43Å; W401-Y404 VanDerWaalsContact O-N 3.1Å; Y404-R406 VanDerWaalsContact C-N 3.31Å; Y404-R406 PolarHBondContact O-N 3.37Å; Y404-R407 WeakPolarHBondContact O-CB 3.25Å; Y404-R407 PolarHBondContact O-N 3.49Å; Y404-R407 VanDerWaalsContact O-N 3.13Å; Y404-Q408 HydrophobicContact CD1-CG 4.22Å; Y404-Q408 HydrophobicContact CE1-CG 3.82Å; Y404-Q408 HydrophobicContact CE2-CG 4.22Å; Y404-Q408 VanDerWaalsContact O-CG 3.3Å; Y404-Q408 WeakPolarHBondContact O-CG 3.44Å; Y404-Q408 PolarHBondContact O-N 3.26Å; Y404-Q408 PolarHBondContact OH-NE2 3.38Å
405Y79Confident76.5Confident35 Ų3572.7 Ų72.714%0.13735%0.348CS..Hα-helixtrans-66-34.6177.9-75.3-68000112.2W401 R407 Q408 G409 M410 C413 I417W401-Y405 HydrophobicContact CB-CD2 4.46Å; W401-Y405 HydrophobicContact CB-CE2 4.46Å; W401-Y405 HydrophobicContact CE3-CE2 4.46Å; W401-Y405 WeakPolarHBondContact O-CD2 3.16Å; W401-Y405 PolarHBondContact O-N 3.41Å; Y405-R407 VanDerWaalsContact C-N 3.34Å; Y405-Q408 CarbonylContact O-C 3.25Å; Y405-Q408 PolarHBondContact O-N 2.9Å; Y405-G409 PolarHBondContact O-N 3.22Å; Y405-G409 VanDerWaalsContact O-N 3.13Å; Y405-M410 HydrophobicContact CD1-CB 3.91Å; Y405-M410 HydrophobicContact CD1-CE 3.9Å; Y405-M410 HydrophobicContact CD1-SD 3.87Å; Y405-M410 HydrophobicContact CE1-CE 3.79Å; Y405-M410 HydrophobicContact CE1-SD 4.11Å; Y405-M410 CarbonylContact O-C 3.58Å; Y405-M410 PolarHBondContact O-N 3.18Å; Y405-C413 HydrophobicContact CD1-CB 3.95Å; Y405-C413 HydrophobicContact CE1-CB 4.37Å; Y405-C413 HydrophobicContact CG-CB 4.03Å; Y405-I417 HydrophobicContact CD2-CD1 3.25Å; Y405-I417 HydrophobicContact CE2-CD1 3.27Å; Y405-I417 HydrophobicContact CG-CD1 4.37Å
406R81.7Confident77.3Confident114 Ų11473.6 Ų73.643%0.4336%0.358SS..Hα-helixtrans-64.3-37.6172.4-163.3-170.9-60.4160.7-3.7111.6A402 E403 Y404 G409 A414A402-R406 WeakPolarHBondContact O-CB 3.17Å; A402-R406 PolarHBondContact O-N 3.09Å; E403-R406 PolarHBondContact O-N 3.15Å; E403-R406 IonicContact OE1-NH1 2.74Å; E403-R406 PolarHBondContact OE1-NH1 2.92Å; Y404-R406 VanDerWaalsContact C-N 3.31Å; Y404-R406 PolarHBondContact O-N 3.37Å; R406-G409 PolarHBondContact O-N 2.88Å; R406-A414 HydrophobicContact CB-CB 4.32Å
407R82.5Confident77.4Confident170 Ų17073.7 Ų73.764%0.64236%0.359SS*.Hα-helixtrans-70-31.9172.9-77.9-173.9-165.3-136.54.4113.1E403 Y404 Y405 G409E403-R407 WeakPolarHBondContact O-CB 3.44Å; E403-R407 WeakPolarHBondContact O-CG 3.46Å; E403-R407 PolarHBondContact O-N 3.27Å; Y404-R407 WeakPolarHBondContact O-CB 3.25Å; Y404-R407 PolarHBondContact O-N 3.49Å; Y404-R407 VanDerWaalsContact O-N 3.13Å; Y405-R407 VanDerWaalsContact C-N 3.34Å; R407-G409 PolarHBondContact O-N 2.9Å
408Q76.7Confident77.3Confident114 Ų11470.4 Ų70.453%0.53335%0.349SS..THydrogen-bonded Turntrans-82.82.5176.9-64.8-68.2-6.600113.1Y404 Y405 M410Y404-Q408 HydrophobicContact CD1-CG 4.22Å; Y404-Q408 HydrophobicContact CE1-CG 3.82Å; Y404-Q408 HydrophobicContact CE2-CG 4.22Å; Y404-Q408 VanDerWaalsContact O-CG 3.3Å; Y404-Q408 WeakPolarHBondContact O-CG 3.44Å; Y404-Q408 PolarHBondContact O-N 3.26Å; Y404-Q408 PolarHBondContact OH-NE2 3.38Å; Y405-Q408 CarbonylContact O-C 3.25Å; Y405-Q408 PolarHBondContact O-N 2.9Å; Q408-M410 PolarHBondContact O-N 3.49Å
409G72.7Confident77.5Confident28 Ų2876.5 Ų76.529%0.28937%0.367SS..THydrogen-bonded Turntrans76.13.3-178.600000115Y405 R406 R407 H411Y405-G409 PolarHBondContact O-N 3.22Å; Y405-G409 VanDerWaalsContact O-N 3.13Å; R406-G409 PolarHBondContact O-N 2.88Å; R407-G409 PolarHBondContact O-N 2.9Å; G409-H411 VanDerWaalsContact C-N 3.28Å; G409-H411 PolarHBondContact O-CD2 3.06Å; G409-H411 PolarHBondContact O-N 3.33Å; G409-H411 VanDerWaalsContact O-N 3.1Å
410M74Confident77.2Confident87 Ų8781.6 Ų81.643%0.42938%0.384SS..  trans-8764.7175.9-71.2168.171.400110.4Y405 Q408 E412 C413 A414Y405-M410 HydrophobicContact CD1-CB 3.91Å; Y405-M410 HydrophobicContact CD1-CE 3.9Å; Y405-M410 HydrophobicContact CD1-SD 3.87Å; Y405-M410 HydrophobicContact CE1-CE 3.79Å; Y405-M410 HydrophobicContact CE1-SD 4.11Å; Y405-M410 CarbonylContact O-C 3.58Å; Y405-M410 PolarHBondContact O-N 3.18Å; Q408-M410 PolarHBondContact O-N 3.49Å; M410-E412 VanDerWaalsContact C-N 3.28Å; M410-E412 PolarHBondContact O-N 3.48Å; M410-C413 HydrophobicContact CB-CB 4.09Å; M410-C413 HydrophobicContact CE-CB 4.16Å; M410-C413 WeakPolarHBondContact CE-SG 3.19Å; M410-C413 PolarHBondContact O-N 2.99Å; M410-A414 PolarHBondContact O-N 2.84Å
411H79.8Confident76.7Confident115 Ų11582.8 Ų82.853%0.53240%0.395SS..Hα-helixtrans-59.6-36.9-178.7-66.3-85.3000112.7G409 C413 A414 D415G409-H411 VanDerWaalsContact C-N 3.28Å; G409-H411 PolarHBondContact O-CD2 3.06Å; G409-H411 PolarHBondContact O-N 3.33Å; G409-H411 VanDerWaalsContact O-N 3.1Å; H411-C413 PolarHBondContact O-N 3.41Å; H411-A414 WeakPolarHBondContact O-CB 3.49Å; H411-A414 PolarHBondContact O-N 3Å; H411-D415 WeakPolarHBondContact O-CB 3.2Å; H411-D415 PolarHBondContact O-N 3.28Å
412E79.5Confident76.4Confident174 Ų17484.9 Ų84.981%0.81341%0.409SS*.Hα-helixtrans-64.4-39.7176.9-68.9-168.8107.800112.4M410 D415 A416M410-E412 VanDerWaalsContact C-N 3.28Å; M410-E412 PolarHBondContact O-N 3.48Å; E412-D415 PolarHBondContact O-N 3.46Å; E412-A416 VanDerWaalsContact O-CB 3.25Å; E412-A416 WeakPolarHBondContact O-CB 3.27Å; E412-A416 PolarHBondContact O-N 3.19Å
413C78.1Confident75.1Confident48 Ų4890.3 Ų90.332%0.32444%0.435SS..Hα-helixtrans-69.8-38.3175.5-60.10000111.3Y405 M410 H411 D415 A416 I417Y405-C413 HydrophobicContact CD1-CB 3.95Å; Y405-C413 HydrophobicContact CE1-CB 4.37Å; Y405-C413 HydrophobicContact CG-CB 4.03Å; M410-C413 HydrophobicContact CB-CB 4.09Å; M410-C413 HydrophobicContact CE-CB 4.16Å; M410-C413 WeakPolarHBondContact CE-SG 3.19Å; M410-C413 PolarHBondContact O-N 2.99Å; H411-C413 PolarHBondContact O-N 3.41Å; C413-D415 VanDerWaalsContact C-N 3.34Å; C413-A416 PolarHBondContact O-N 3.44Å; C413-I417 WeakPolarHBondContact O-CB 3.2Å; C413-I417 WeakPolarHBondContact O-CD1 3.37Å; C413-I417 WeakPolarHBondContact O-CG1 3.49Å; C413-I417 PolarHBondContact O-N 3.34Å
414A78.7Confident73.9Confident4 Ų491.9 Ų91.93%0.03345%0.45CS..Hα-helixtrans-61.5-42.9173.900000112A402 R406 M410 H411 I417 L418A402-A414 HydrophobicContact CB-CB 4.25Å; A402-A414 VanDerWaalsContact O-CB 3.22Å; A402-A414 WeakPolarHBondContact O-CB 3.36Å; R406-A414 HydrophobicContact CB-CB 4.32Å; M410-A414 PolarHBondContact O-N 2.84Å; H411-A414 WeakPolarHBondContact O-CB 3.49Å; H411-A414 PolarHBondContact O-N 3Å; A414-I417 PolarHBondContact O-N 3.1Å; A414-L418 PolarHBondContact O-N 3.35Å
415D82.1Confident72.2Confident105 Ų10593.1 Ų93.156%0.56147%0.472SS*.Hα-helixtrans-70.2-42178.5-158.4-90.8000111.2H411 E412 C413 I417 L418 R419H411-D415 WeakPolarHBondContact O-CB 3.2Å; H411-D415 PolarHBondContact O-N 3.28Å; E412-D415 PolarHBondContact O-N 3.46Å; C413-D415 VanDerWaalsContact C-N 3.34Å; D415-I417 VanDerWaalsContact C-N 3.29Å; D415-I417 PolarHBondContact O-N 2.85Å; D415-L418 PolarHBondContact O-N 3.49Å; D415-R419 VanDerWaalsContact O-CB 3.27Å; D415-R419 WeakPolarHBondContact O-CB 3.22Å; D415-R419 PolarHBondContact O-N 3.41Å
416A80.4Confident70.3Confident54 Ų5498.4 Ų98.445%0.44651%0.507SS..Hα-helixtrans-58.6-40.7174.400000112.1E412 C413 R419 Q420E412-A416 VanDerWaalsContact O-CB 3.25Å; E412-A416 WeakPolarHBondContact O-CB 3.27Å; E412-A416 PolarHBondContact O-N 3.19Å; C413-A416 PolarHBondContact O-N 3.44Å; A416-R419 PolarHBondContact O-N 3.5Å; A416-Q420 VanDerWaalsContact O-CB 3.31Å; A416-Q420 WeakPolarHBondContact O-CB 3.46Å; A416-Q420 PolarHBondContact O-N 2.84Å
417I71.6Confident67.9Low32 Ų3296.9 Ų96.916%0.16452%0.519CS..Hα-helixtrans-66.7-43.4176.7-71.8164.5000111S398 W401 A402 Y405 C413 A414 D415 R419 Q420 A421S398-I417 VanDerWaalsContact O-CG2 3.24Å; S398-I417 WeakPolarHBondContact O-CG2 3.43Å; W401-I417 HydrophobicContact CB-CD1 4.13Å; W401-I417 HydrophobicContact CB-CG2 4.32Å; A402-I417 HydrophobicContact CB-CG2 4.45Å; Y405-I417 HydrophobicContact CD2-CD1 3.25Å; Y405-I417 HydrophobicContact CE2-CD1 3.27Å; Y405-I417 HydrophobicContact CG-CD1 4.37Å; C413-I417 WeakPolarHBondContact O-CB 3.2Å; C413-I417 WeakPolarHBondContact O-CD1 3.37Å; C413-I417 WeakPolarHBondContact O-CG1 3.49Å; C413-I417 PolarHBondContact O-N 3.34Å; A414-I417 PolarHBondContact O-N 3.1Å; D415-I417 VanDerWaalsContact C-N 3.29Å; D415-I417 PolarHBondContact O-N 2.85Å; I417-R419 VanDerWaalsContact C-N 3.35Å; I417-Q420 PolarHBondContact O-N 2.88Å; I417-A421 WeakPolarHBondContact O-CB 3.27Å; I417-A421 PolarHBondContact O-N 3.39Å
418L74.9Confident65.4Low50 Ų5093.5 Ų93.526%0.26253%0.528SS..Hα-helixtrans-65.9-39175.3-78.5167.7000112A402 A414 D415 Q420 A421 Q422A402-L418 HydrophobicContact CB-CD1 3.93Å; A402-L418 HydrophobicContact CB-CD2 4.25Å; A402-L418 HydrophobicContact CB-CG 3.71Å; A414-L418 PolarHBondContact O-N 3.35Å; D415-L418 PolarHBondContact O-N 3.49Å; L418-Q420 VanDerWaalsContact C-N 3.31Å; L418-Q420 PolarHBondContact O-N 3.11Å; L418-A421 PolarHBondContact O-N 3.49Å; L418-Q422 WeakPolarHBondContact O-CB 3.39Å; L418-Q422 WeakPolarHBondContact O-CG 3.46Å; L418-Q422 PolarHBondContact O-N 3.44Å
419R80.2Confident63.3Low158 Ų15894.8 Ų94.860%0.59654%0.543SS*.Hα-helixtrans-66-37.4177.6-155.7-17395.8145.35.9111.2D415 A416 I417 Q423D415-R419 VanDerWaalsContact O-CB 3.27Å; D415-R419 WeakPolarHBondContact O-CB 3.22Å; D415-R419 PolarHBondContact O-N 3.41Å; A416-R419 PolarHBondContact O-N 3.5Å; I417-R419 VanDerWaalsContact C-N 3.35Å; R419-Q423 WeakPolarHBondContact O-CG 3.4Å; R419-Q423 PolarHBondContact O-N 3.48Å; R419-Q423 VanDerWaalsContact O-N 3.17Å
420Q68.3Low61.4Low143 Ų143103 Ų10367%0.66857%0.573SS**Hα-helixtrans-71.1-36.7174.7-165.7170.628.500111.6A416 I417 L418 Q422 Q423A416-Q420 VanDerWaalsContact O-CB 3.31Å; A416-Q420 WeakPolarHBondContact O-CB 3.46Å; A416-Q420 PolarHBondContact O-N 2.84Å; I417-Q420 PolarHBondContact O-N 2.88Å; L418-Q420 VanDerWaalsContact C-N 3.31Å; L418-Q420 PolarHBondContact O-N 3.11Å; Q420-Q422 VanDerWaalsContact C-N 3.32Å; Q420-Q422 PolarHBondContact O-N 3.15Å; Q420-Q423 PolarHBondContact O-N 3.02Å
421A65.8Low59.4Low43 Ų43107.2 Ų107.236%0.35559%0.592SS.*Hα-helixtrans-69.5-28.317500000113.2I417 L418I417-A421 WeakPolarHBondContact O-CB 3.27Å; I417-A421 PolarHBondContact O-N 3.39Å; L418-A421 PolarHBondContact O-N 3.49Å
422Q63.3Low57.3Low158 Ų158108.5 Ų108.574%0.73861%0.608SS**Hα-helixtrans-86.7-11.7175.9-74.617913.300113.9L418 Q420 P424L418-Q422 WeakPolarHBondContact O-CB 3.39Å; L418-Q422 WeakPolarHBondContact O-CG 3.46Å; L418-Q422 PolarHBondContact O-N 3.44Å; Q420-Q422 VanDerWaalsContact C-N 3.32Å; Q420-Q422 PolarHBondContact O-N 3.15Å; Q422-P424 VanDerWaalsContact O-CD 3.22Å; Q422-P424 WeakPolarHBondContact O-CD 3.47Å
423Q54.2Low55Low116 Ų116104.7 Ų104.754%0.54261%0.606SS.*SBendtrans-80.8115.4174.7-84-171.6-600110.3R419 Q420 S425R419-Q423 WeakPolarHBondContact O-CG 3.4Å; R419-Q423 PolarHBondContact O-N 3.48Å; R419-Q423 VanDerWaalsContact O-N 3.17Å; Q420-Q423 PolarHBondContact O-N 3.02Å; Q423-S425 PolarHBondContact O-N 3.27Å; Q423-S425 VanDerWaalsContact O-N 3.15Å
424P50.5Low53.1Low93 Ų93108 Ų10860%0.60463%0.627SS**  trans-62.7120.716725.9-30.6000107.8Q422 V426Q422-P424 VanDerWaalsContact O-CD 3.22Å; Q422-P424 WeakPolarHBondContact O-CD 3.47Å; P424-V426 VanDerWaalsContact C-N 3.31Å; P424-V426 PolarHBondContact O-N 3.2Å
425S42.9Very low51.2Low115 Ų115114.5 Ų114.580%0.80467%0.666SS**  trans-59.491.5173.7380000110.1Q423 A427Q423-S425 PolarHBondContact O-N 3.27Å; Q423-S425 VanDerWaalsContact O-N 3.15Å; S425-A427 PolarHBondContact O-N 3.25Å; S425-A427 VanDerWaalsContact O-N 3.09Å
426V38.2Very low49.3Very low145 Ų145114.8 Ų114.888%0.87967%0.674SS**  trans-80.961165-700000109.2P424P424-V426 VanDerWaalsContact C-N 3.31Å; P424-V426 PolarHBondContact O-N 3.2Å
427A31.9Very low47.2Very low83 Ų83119.3 Ų119.369%0.68670%0.696SS**  trans-147123.1169.700000108.6S425S425-A427 PolarHBondContact O-N 3.25Å; S425-A427 VanDerWaalsContact O-N 3.09Å
428A30.4Very low45.5Very low99 Ų99120.6 Ų120.682%0.81872%0.718SS**SBendtrans84.665.4172.600000118.5
429V32.7Very low43.8Very low140 Ų140126.2 Ų126.285%0.84874%0.742SS**  trans-152.695.5136178.30000108.6
430Q31.2Very low41.9Very low200 Ų200124.5 Ų124.594%0.93575%0.749SS**  trans-146.681.9150.9-114173.84.200107.8
431Q32.4Very low40.3Very low176 Ų176125.9 Ų125.982%0.82276%0.755SS**  trans-82125.1156.6-70.6174.9-3.600107
432T36.1Very low38.9Very low143 Ų143128.3 Ų128.388%0.87778%0.775SS**  trans173122.1134.632.20000108.6
433A30.2Very low37.6Very low93 Ų93124.7 Ų124.777%0.76977%0.773SS**  trans-64.7165.6175.900000111.4
434P39.3Very low36.9Very low117 Ų117127.7 Ų127.776%0.7679%0.787SS**  -150.6141.778.434.8-13.5000117.2
435V39.6Very low36.3Very low141 Ų141128.9 Ų128.986%0.85580%0.797SS**  trans48.4149.6145.9-700000124.1
436P40.3Very low36Very low112 Ų112127.2 Ų127.273%0.72780%0.798SS**  trans-117.7168.1-145.641.1-28.4000115.1
437T37.2Very low36.3Very low148 Ų148127 Ų12791%0.90880%0.797SS**  trans-156.4121.4152.9-360000113.2
438G35.8Very low36.9Very low60 Ų60128.7 Ų128.762%0.61980%0.802SS**  trans80.2136.3160.100000115.8
439H38.9Very low37.2Very low168 Ų168128.8 Ų128.878%0.77880%0.802SS**  cis176.2139.715.944.3-66.9000107.2
440V40.8Very low37.3Very low122 Ų122127 Ų12774%0.73980%0.802SS**  trans55.2138.6157.3-78.20000120.4
441Q34.1Very low37.4Very low171 Ų171122 Ų12280%0.79980%0.795SS**  cis-176.4138.64.4171.4163-7.600110.4
442A36Very low37.8Very low94 Ų94118.9 Ų118.978%0.77779%0.79SS**  trans45.4137.7149.900000120.8
443A37Very low37.7Very low82 Ų82117.1 Ų117.168%0.67878%0.784SS**  cis-167146.433.600000113.3
444Q39.3Very low37.9Very low179 Ų179121.8 Ų121.884%0.83679%0.789SS**  trans57.6109.8140.7-63.1168.322.500119.6
445S37.9Very low37.5Very low119 Ų119122.8 Ų122.883%0.83279%0.793SS**  80112.555.675.70000115.7
446G37.8Very low37.2Very low80 Ų80122 Ų12283%0.82579%0.791SS**  trans165.4105.716400000113.1
447T44Very low36.8Very low140 Ų140122.5 Ų122.586%0.85979%0.792SS**  trans-101.6-168.1-17854.10000111.2
448P44.4Very low36.6Very low119 Ų119124.2 Ų124.277%0.77379%0.789SS**  -118.7174.3-112.428.8-4.7000113.7
449A36.2Very low36.4Very low100 Ų100125.8 Ų125.883%0.82680%0.796SS**  trans165.9148141.500000113.7
450A36.1Very low35.9Very low103 Ų103127 Ų12785%0.85180%0.803SS**  trans87.1127.9154.300000120.1
451A32.2Very low35.9Very low95 Ų95126.8 Ų126.879%0.78580%0.804SS**  trans-58.3-174.9174.500000113.6
452P39.9Very low35.9Very low110 Ų110125 Ų12571%0.71481%0.805SS**  cis-142-176.19.538.9-16.2000115.8
453S34.7Very low35.8Very low107 Ų107124.7 Ų124.775%0.74880%0.802SS**  trans18.1114.7146.5-50.80000119.1
454Q33.8Very low35.7Very low190 Ų190127.8 Ų127.889%0.88881%0.813SS**  179.2140.3125.6-98.4-179.914.200111.2
455V31Very low35.6Very low139 Ų139123 Ų12384%0.84281%0.811SS**  trans-55.9142.9166.5-83.20000111.9
456P34.4Very low35.6Very low125 Ų125126.6 Ų126.681%0.81282%0.815SS**  trans-131.1140.3137.825.7-8.4000113.7
457V32.3Very low35.8Very low121 Ų121133.5 Ų133.573%0.73382%0.817SS**  trans-69163.6165.31560000110.6
458Q31.3Very low36.5Very low184 Ų184131.5 Ų131.586%0.8680%0.801SS**  trans79.9114.1163.9-82.1159.6-9.700118.5
459A33.4Very low37.1Very low93 Ų93133.5 Ų133.577%0.76979%0.794SS**  170.5130.2101.500000109.8P461A459-P461 WeakPolarHBondContact O-CD 3.41Å
460Q26.8Very low38.9Very low195 Ų195131.6 Ų131.691%0.91178%0.779SS**PPolyproline II helixtrans-84.3125.1174.3-175.3178.8-10.400109.2
461P40.6Very low40.1Very low117 Ų117133.6 Ų133.676%0.7677%0.771SS**PPolyproline II helixtrans-101133.1166219.4000111A459A459-P461 WeakPolarHBondContact O-CD 3.41Å
462T35.9Very low41.9Very low134 Ų134134.2 Ų134.282%0.82275%0.753SS**PPolyproline II helixtrans-52.3140.4170.939.30000115.1
463A32.8Very low43.6Very low86 Ų86133.3 Ų133.371%0.71174%0.739SS**SBendtrans50.7127144.100000120.6
464T35.1Very low45.5Very low148 Ų148135.1 Ų135.191%0.90874%0.736SS**  trans73.3112155.955.80000118.9
465G37.1Very low47.4Very low77 Ų77132.4 Ų132.479%0.79472%0.717SS**SBendtrans107.9120.2150.900000115.3
466Q38Very low49.7Very low196 Ų196128.8 Ų128.892%0.91669%0.691SS**  trans73.184156.4-133.2163.2-600115.7D468Q466-D468 PolarHBondContact O-N 3.01Å
467Y40.8Very low51.7Low225 Ų225128.8 Ų128.888%0.88268%0.681SS**  trans-64121.6162.5-76.4-86.7000109.2Y469Y467-Y469 PolarHBondContact O-N 2.85Å
468D59Low53.8Low98 Ų98129.3 Ų129.352%0.52467%0.669SS.*  trans-66.497170.6-171.564.1000108.9Q466 A470 Q471 W472Q466-D468 PolarHBondContact O-N 3.01Å; D468-A470 PolarHBondContact O-N 3.45Å; D468-Q471 HydrophobicContact CB-CB 4.2Å; D468-Q471 PolarHBondContact O-N 3.46Å; D468-Q471 WeakPolarHBondContact OD2-CB 3.22Å; D468-Q471 PolarHBondContact OD2-N 2.71Å; D468-W472 PolarHBondContact O-N 2.99Å
469Y58.7Low56.1Low160 Ų160125 Ų12563%0.62765%0.649SS**Hα-helixtrans-60-26.8-177-147.7-93.5000111.5Y467 Q473Y467-Y469 PolarHBondContact O-N 2.85Å; Y469-Q473 HydrophobicContact CD1-CG 4.39Å; Y469-Q473 WeakPolarHBondContact O-CG 3.37Å; Y469-Q473 PolarHBondContact O-N 3Å
470A72.2Confident58Low60 Ų60123.2 Ų123.250%0.49663%0.634SS.*Hα-helixtrans-69.9-45.9177.200000112.3D468 W472 Q473 Q474D468-A470 PolarHBondContact O-N 3.45Å; A470-W472 VanDerWaalsContact C-N 3.32Å; A470-W472 PolarHBondContact O-N 3.28Å; A470-Q473 PolarHBondContact O-N 3.48Å; A470-Q474 PolarHBondContact O-N 3.28Å
471Q62.6Low60.4Low146 Ų146120.1 Ų120.168%0.68261%0.614SS**Hα-helixtrans-64.8-37.2176.8-161.6177.585.200111.7D468 Q474 W475D468-Q471 HydrophobicContact CB-CB 4.2Å; D468-Q471 PolarHBondContact O-N 3.46Å; D468-Q471 WeakPolarHBondContact OD2-CB 3.22Å; D468-Q471 PolarHBondContact OD2-N 2.71Å; Q471-Q474 PolarHBondContact O-N 2.99Å; Q471-W475 WeakPolarHBondContact O-CB 3.39Å; Q471-W475 PolarHBondContact O-N 3.48Å
472W69.3Low62.1Low107 Ų107118.5 Ų118.541%0.40560%0.597SS.*Hα-helixtrans-65.7-41.5174.1-174.588000112.6D468 A470 Q474 W475 Q476D468-W472 PolarHBondContact O-N 2.99Å; A470-W472 VanDerWaalsContact C-N 3.32Å; A470-W472 PolarHBondContact O-N 3.28Å; W472-Q474 VanDerWaalsContact C-N 3.34Å; W472-Q474 PolarHBondContact O-N 3.13Å; W472-W475 PolarHBondContact O-N 2.75Å; W472-Q476 HydrophobicContact CD2-CG 4.36Å; W472-Q476 HydrophobicContact CE3-CG 4.3Å; W472-Q476 VanDerWaalsContact CH2-CD 3.47Å; W472-Q476 HydrophobicContact CH2-CG 4.3Å; W472-Q476 HydrophobicContact CZ2-CG 4.28Å; W472-Q476 HydrophobicContact CZ3-CG 4.26Å; W472-Q476 PolarHBondContact O-N 3.21Å
473Q75.9Confident63.7Low92 Ų92114.6 Ų114.643%0.4358%0.578SS.*Hα-helixtrans-62.2-40.3172.7-83.2-164.823.600112.4Y469 A470 W475 Q476 Q477Y469-Q473 HydrophobicContact CD1-CG 4.39Å; Y469-Q473 WeakPolarHBondContact O-CG 3.37Å; Y469-Q473 PolarHBondContact O-N 3Å; A470-Q473 PolarHBondContact O-N 3.48Å; Q473-W475 VanDerWaalsContact C-N 3.33Å; Q473-Q476 PolarHBondContact O-N 3.08Å; Q473-Q477 WeakPolarHBondContact O-CG 3.47Å; Q473-Q477 PolarHBondContact O-N 2.8Å; Q473-Q477 PolarHBondContact O-NE2 3.22Å
474Q73.8Confident65.8Low145 Ų145117.3 Ų117.368%0.67857%0.57SS**Hα-helixtrans-65.2-39.6178-129.7-176.584.200111.4A470 Q471 W472 Q477 W478A470-Q474 PolarHBondContact O-N 3.28Å; Q471-Q474 PolarHBondContact O-N 2.99Å; W472-Q474 VanDerWaalsContact C-N 3.34Å; W472-Q474 PolarHBondContact O-N 3.13Å; Q474-Q477 PolarHBondContact O-N 3.17Å; Q474-W478 WeakPolarHBondContact O-CB 3.43Å; Q474-W478 PolarHBondContact O-N 2.75Å
475W74.3Confident67.7Low132 Ų132114.5 Ų114.550%0.555%0.547SS..Hα-helixtrans-66.4-39.5175.4-176.186.4000112.5Q471 W472 Q473 W478 Q479Q471-W475 WeakPolarHBondContact O-CB 3.39Å; Q471-W475 PolarHBondContact O-N 3.48Å; W472-W475 PolarHBondContact O-N 2.75Å; Q473-W475 VanDerWaalsContact C-N 3.33Å; W475-W478 PolarHBondContact O-N 3.38Å; W475-Q479 HydrophobicContact CD2-CG 4.41Å; W475-Q479 HydrophobicContact CE3-CG 4.42Å; W475-Q479 HydrophobicContact CH2-CG 4.41Å; W475-Q479 HydrophobicContact CZ2-CG 4.35Å; W475-Q479 HydrophobicContact CZ3-CG 4.4Å; W475-Q479 PolarHBondContact O-N 2.85Å
476Q78.7Confident69.4Low63 Ų63117.8 Ų117.829%0.29454%0.541SS..Hα-helixtrans-62.4-44.9172-83.3-153.7-600112.5W472 Q473 W478 Q479 A480W472-Q476 HydrophobicContact CD2-CG 4.36Å; W472-Q476 HydrophobicContact CE3-CG 4.3Å; W472-Q476 VanDerWaalsContact CH2-CD 3.47Å; W472-Q476 HydrophobicContact CH2-CG 4.3Å; W472-Q476 HydrophobicContact CZ2-CG 4.28Å; W472-Q476 HydrophobicContact CZ3-CG 4.26Å; W472-Q476 PolarHBondContact O-N 3.21Å; Q473-Q476 PolarHBondContact O-N 3.08Å; Q476-W478 VanDerWaalsContact C-N 3.26Å; Q476-W478 PolarHBondContact O-N 3.21Å; Q476-Q479 PolarHBondContact O-N 3.39Å; Q476-A480 PolarHBondContact O-N 3.27Å
477Q78.1Confident70.8Confident126 Ų126116 Ų11659%0.58953%0.533SS*.Hα-helixtrans-60.6-38.6176.3-74178.478.700111.6Q473 Q474 A480 W481Q473-Q477 WeakPolarHBondContact O-CG 3.47Å; Q473-Q477 PolarHBondContact O-N 2.8Å; Q473-Q477 PolarHBondContact O-NE2 3.22Å; Q474-Q477 PolarHBondContact O-N 3.17Å; Q477-A480 PolarHBondContact O-N 3.08Å; Q477-W481 WeakPolarHBondContact O-CB 3.42Å; Q477-W481 PolarHBondContact O-N 2.91Å
478W76.4Confident71.8Confident132 Ų132111.1 Ų111.150%0.552%0.518SS..Hα-helixtrans-66.3-39.8175.4-176.386.6000112.8Q474 W475 Q476 W481 Q482Q474-W478 WeakPolarHBondContact O-CB 3.43Å; Q474-W478 PolarHBondContact O-N 2.75Å; W475-W478 PolarHBondContact O-N 3.38Å; Q476-W478 VanDerWaalsContact C-N 3.26Å; Q476-W478 PolarHBondContact O-N 3.21Å; W478-W481 PolarHBondContact O-N 2.99Å; W478-Q482 HydrophobicContact CD2-CG 4.5Å; W478-Q482 HydrophobicContact CE3-CG 4.5Å; W478-Q482 HydrophobicContact CH2-CG 4.39Å; W478-Q482 HydrophobicContact CZ2-CG 4.35Å; W478-Q482 HydrophobicContact CZ3-CG 4.43Å; W478-Q482 PolarHBondContact O-N 3.39Å
479Q78.4Confident71.6Confident93 Ų93112.2 Ų112.244%0.43553%0.528SS..Hα-helixtrans-63.8-42.7172.6-75.7-155.8-12.400112.5W475 Q476 W481 Q482 A483W475-Q479 HydrophobicContact CD2-CG 4.41Å; W475-Q479 HydrophobicContact CE3-CG 4.42Å; W475-Q479 HydrophobicContact CH2-CG 4.41Å; W475-Q479 HydrophobicContact CZ2-CG 4.35Å; W475-Q479 HydrophobicContact CZ3-CG 4.4Å; W475-Q479 PolarHBondContact O-N 2.85Å; Q476-Q479 PolarHBondContact O-N 3.39Å; Q479-W481 VanDerWaalsContact C-N 3.29Å; Q479-W481 PolarHBondContact O-N 3.42Å; Q479-Q482 PolarHBondContact O-N 3.21Å; Q479-A483 PolarHBondContact O-N 3.04Å
480A73.1Confident70.9Confident55 Ų55107.5 Ų107.546%0.45553%0.528SS..Hα-helixtrans-61.3-39.7176.100000111.5Q476 Q477 A483 W484Q476-A480 PolarHBondContact O-N 3.27Å; Q477-A480 PolarHBondContact O-N 3.08Å; A480-A483 PolarHBondContact O-N 2.87Å; A480-W484 WeakPolarHBondContact O-CB 3.44Å; A480-W484 PolarHBondContact O-N 2.96Å
481W77.1Confident69.4Low131 Ų131108.4 Ų108.450%0.49654%0.536SS..Hα-helixtrans-64.2-39.6174.9-177.384.3000112.7Q477 W478 Q479 W484 Q485Q477-W481 WeakPolarHBondContact O-CB 3.42Å; Q477-W481 PolarHBondContact O-N 2.91Å; W478-W481 PolarHBondContact O-N 2.99Å; Q479-W481 VanDerWaalsContact C-N 3.29Å; Q479-W481 PolarHBondContact O-N 3.42Å; W481-W484 PolarHBondContact O-N 2.87Å; W481-Q485 HydrophobicContact CZ2-CG 4.48Å; W481-Q485 PolarHBondContact O-N 3.44Å
482Q76.6Confident68.4Low82 Ų82107.9 Ų107.938%0.38355%0.545SS..Hα-helixtrans-64.8-42.3173.4-75.9-148.7-5.800112.9W478 Q479 W484 Q485 Q486W478-Q482 HydrophobicContact CD2-CG 4.5Å; W478-Q482 HydrophobicContact CE3-CG 4.5Å; W478-Q482 HydrophobicContact CH2-CG 4.39Å; W478-Q482 HydrophobicContact CZ2-CG 4.35Å; W478-Q482 HydrophobicContact CZ3-CG 4.43Å; W478-Q482 PolarHBondContact O-N 3.39Å; Q479-Q482 PolarHBondContact O-N 3.21Å; Q482-W484 VanDerWaalsContact C-N 3.3Å; Q482-W484 PolarHBondContact O-N 3.38Å; Q482-Q485 PolarHBondContact O-N 3.17Å; Q482-Q486 PolarHBondContact O-N 3.1Å; Q482-Q486 VanDerWaalsContact O-N 3.08Å
483A70.3Confident67Low52 Ų52106.3 Ų106.343%0.4356%0.563SS.*Hα-helixtrans-64.2-38.1176.900000111.6Q479 A480 Q486 Q487Q479-A483 PolarHBondContact O-N 3.04Å; A480-A483 PolarHBondContact O-N 2.87Å; A483-Q486 PolarHBondContact O-N 3.13Å; A483-Q487 PolarHBondContact O-N 3.12Å
484W76.2Confident65.5Low144 Ų144110 Ų11055%0.54558%0.58SS.*Hα-helixtrans-66.5-38.5174.9-176.182.2000112.5A480 W481 Q482 Q487 Q488A480-W484 WeakPolarHBondContact O-CB 3.44Å; A480-W484 PolarHBondContact O-N 2.96Å; W481-W484 PolarHBondContact O-N 2.87Å; Q482-W484 VanDerWaalsContact C-N 3.3Å; Q482-W484 PolarHBondContact O-N 3.38Å; W484-Q487 PolarHBondContact O-N 2.88Å; W484-Q488 PolarHBondContact O-N 2.8Å
485Q74.5Confident64.1Low89 Ų89109.2 Ų109.242%0.41659%0.587SS.*Hα-helixtrans-61.3-43.9172-83.6-162.5-5.400112.4W481 Q482 Q487 Q488 T489W481-Q485 HydrophobicContact CZ2-CG 4.48Å; W481-Q485 PolarHBondContact O-N 3.44Å; Q482-Q485 PolarHBondContact O-N 3.17Å; Q485-Q487 VanDerWaalsContact C-N 3.26Å; Q485-Q487 PolarHBondContact O-N 3.29Å; Q485-Q488 PolarHBondContact O-N 3.03Å; Q485-Q488 VanDerWaalsContact O-N 3.12Å; Q485-T489 PolarHBondContact O-N 3.5Å; Q485-T489 VanDerWaalsContact O-N 3.14Å; Q485-T489 PolarHBondContact O-OG1 3.42Å
486Q72.7Confident62.4Low145 Ų145106.6 Ų106.668%0.67860%0.601SS**Hα-helixtrans-60.4-34.9177.5-91.6-171.373.200112.8Q482 A483 T489 G490Q482-Q486 PolarHBondContact O-N 3.1Å; Q482-Q486 VanDerWaalsContact O-N 3.08Å; A483-Q486 PolarHBondContact O-N 3.13Å; Q486-T489 PolarHBondContact O-OG1 3Å; Q486-G490 PolarHBondContact O-N 2.8Å
487Q67.5Low60.7Low160 Ų160108.1 Ų108.175%0.74863%0.625SS**Hα-helixtrans-71.3-30176-78.7-178.61900113.3A483 W484 Q485A483-Q487 PolarHBondContact O-N 3.12Å; W484-Q487 PolarHBondContact O-N 2.88Å; Q485-Q487 VanDerWaalsContact C-N 3.26Å; Q485-Q487 PolarHBondContact O-N 3.29Å
488Q62.7Low58.8Low122 Ų122106 Ų10657%0.5764%0.636SS**Hα-helixtrans-78.5-27.8177-72.5-144.270.500113.6W484 Q485 G490W484-Q488 PolarHBondContact O-N 2.8Å; Q485-Q488 PolarHBondContact O-N 3.03Å; Q485-Q488 VanDerWaalsContact O-N 3.12Å; Q488-G490 VanDerWaalsContact C-N 3.32Å
489T55.6Low57.3Low120 Ų120104.3 Ų104.374%0.73665%0.65SS**SBendtrans-85.7-2.2177.954.10000114Q485 Q486Q485-T489 PolarHBondContact O-N 3.5Å; Q485-T489 VanDerWaalsContact O-N 3.14Å; Q485-T489 PolarHBondContact O-OG1 3.42Å; Q486-T489 PolarHBondContact O-OG1 3Å
490G42.3Very low56Low61 Ų61105.6 Ų105.663%0.62967%0.667SS**  trans-109.348.1-179.200000113.8Q486 Q488Q486-G490 PolarHBondContact O-N 2.8Å; Q488-G490 VanDerWaalsContact C-N 3.32Å
491A40.7Very low54.7Low80 Ų80109.2 Ų109.266%0.66169%0.686SS**  trans-91.1141.1172.700000111.4G493A491-G493 PolarHBondContact O-N 3.4Å; A491-G493 VanDerWaalsContact O-N 3.15Å
492P42.5Very low53.1Low134 Ų134106.3 Ų106.387%0.8770%0.696SS**  trans-72.4107.1-179.428.5-32000111.1Q494P492-Q494 PolarHBondContact O-N 3.13Å
493G39.8Very low51.4Low75 Ų75111.1 Ų111.177%0.77372%0.719SS**  trans-77.6100.6174.300000112.9A491A491-G493 PolarHBondContact O-N 3.4Å; A491-G493 VanDerWaalsContact O-N 3.15Å
494Q43.7Very low50Low170 Ų170114.1 Ų114.179%0.79473%0.732SS**  trans54.8129.2142-73.2-174.2-1800122P492P492-Q494 PolarHBondContact O-N 3.13Å
495P45.6Very low48.8Very low128 Ų128115.8 Ų115.883%0.83175%0.748SS**SBendtrans-80.3128.4146.131.6-25.9000111.1
496G38.7Very low47.6Very low76 Ų76117.3 Ų117.378%0.78477%0.766SS**  trans41.798.8148.800000119.3G498G496-G498 PolarHBondContact O-N 3.27Å
497A41.8Very low46.1Very low96 Ų96113.6 Ų113.679%0.79377%0.766SS**PPolyproline II helixtrans-65.2120.3164.700000111.5
498G38.5Very low45.1Very low81 Ų81111.4 Ų111.484%0.83576%0.764SS**PPolyproline II helixtrans-70.5124.9161.500000110.2G496G496-G498 PolarHBondContact O-N 3.27Å
499A45.9Very low44.2Very low96 Ų96113.6 Ų113.679%0.79377%0.774SS**PPolyproline II helixtrans-81.3155.3177.800000112
500P51.1Low43.4Very low121 Ų121112.6 Ų112.679%0.78677%0.772SS**PPolyproline II helixtrans-82.5168.8-167.935.5-35.5000113.2
501P45.6Very low43.5Very low131 Ų131116.8 Ų116.885%0.85178%0.778SS**PPolyproline II helixtrans-84.7149.7-17434.8-32.3000111.8
502G42.2Very low43.3Very low69 Ų69121.3 Ų121.371%0.71179%0.785SS**  trans131109.2149.700000116.4
503Q42.3Very low43.1Very low183 Ų183120.7 Ų120.786%0.85578%0.783SS**  trans98.3111.4145.2-60.4-166.583.100119.8
504T40.5Very low43.1Very low115 Ų115121.6 Ų121.671%0.70678%0.783SS**  trans70.5100.8137.457.50000117.6
505M50.8Low43.2Very low179 Ų179119 Ų11988%0.88278%0.781SS**  110.6152.673.7-86.5-91.9-103.400109.9
506P48.8Very low43Very low122 Ų122118.6 Ų118.679%0.79278%0.782SS**  -125.7173.3-125.741.7-29.6000115.8
507G42.6Very low43.3Very low66 Ų66124 Ų12468%0.6879%0.789SS**  trans131.6146.9159.600000113
508T46.6Very low44.3Very low115 Ų115124.9 Ų124.971%0.70679%0.786SS**  cis-172.8132.9-1.9-67.40000104.9
509Q41.9Very low44.7Very low168 Ų168127.1 Ų127.179%0.78579%0.786SS**  trans56.6117.1149.8-65-18073.500122.8
510S39.5Very low44.7Very low98 Ų98127.2 Ų127.269%0.68579%0.787SS**  73.1145.4113.7-48.50000122.3
511I44.5Very low45Very low149 Ų149127.6 Ų127.676%0.76479%0.789SS**  trans10396.4153.5-50.4178.4000116.8
512Q37.4Very low44.9Very low175 Ų175124.6 Ų124.682%0.81878%0.782SS**  52.1140.5111.4-123.9162.514.700121.4
513C36.7Very low45.2Very low121 Ų121130.3 Ų130.382%0.81879%0.79SS**  trans99.2114.9158.4-58.70000117.9
514A40.8Very low45.6Very low94 Ų94126.5 Ų126.578%0.77778%0.781SS**  trans-71.4-167.2161.600000110.8
515P46.6Very low46.1Very low115 Ų115126.8 Ų126.875%0.74779%0.785SS**  cis-124.3169.8-29.934.1-18.1000111.3
516S40.8Very low46.5Very low121 Ų121126.1 Ų126.185%0.84678%0.783SS**  trans174.1132.2148.5-83.10000111.9
517M45Very low46.8Very low189 Ų189125.9 Ų125.993%0.93178%0.782SS**  trans-69153.9168.8-68.3172.682.600111.5
518P61.9Low46.9Very low115 Ų115132 Ų13275%0.74779%0.792SS**  trans-130.1164.6144.328.6-11.4000113.8
519P47.8Very low47.1Very low128 Ų128139.3 Ų139.383%0.83182%0.819SS**PPolyproline II helixtrans-93.5173.2-161.537.7-34.6000115
520A44.6Very low47.3Very low97 Ų97137.9 Ų137.980%0.80282%0.82SS**PPolyproline II helixtrans-66.1154.8-175.400000116
521P57.5Low47.8Very low129 Ų129139.9 Ų139.984%0.83883%0.827SS**PPolyproline II helixtrans-102.5133.216132.8-23000112.4
522G44Very low47.9Very low68 Ų68139.4 Ų139.470%0.70183%0.831SS**PPolyproline II helixtrans-87.9172.4174.500000114.4
523H49.4Very low48.6Very low189 Ų189137.4 Ų137.488%0.87583%0.832SS**  trans-164.1160.1155.9-115.5-84.5000108.6
524P50.9Low49.3Very low103 Ų103138.4 Ų138.467%0.66983%0.833SS**  -118178.8-112.329.9-8.5000114
525P49.8Very low49.9Very low122 Ų122141.3 Ų141.379%0.79284%0.836SS**  trans-90.2155-169.635.6-31.9000114
526I58.6Low50.1Low164 Ų164143.2 Ų143.284%0.84184%0.843SS**  trans-107.2129.7167.9-61.8174.3000108.6
527P55Low50.8Low118 Ų118144.9 Ų144.977%0.76684%0.842SS**  trans-87.1165.5-179.734.1-32.9000114.3
528Q44.7Very low51.3Low193 Ų193141.3 Ų141.390%0.90284%0.835SS**  trans-44.6144-173.5-67.2168.99.700118.2
529Q51.4Low50.3Low269 Ų269143.6 Ų143.6100%1.25784%0.843SS**  -132.90116.8-116.5-167.261.300109.7

Retrieved 529 of 529 residues in 359.6 ms (Link to these results)