X5D2C1_HUMAN Loading...

Benzodiazapine receptor peripheral-associated protein 1 isoform H

AlphaFold DB , UniProt , Accession X5D2C1, Species HUMAN (Homo sapiens, Human), Gene BZRAP1, Length 1,152 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
1M33Very low32.7Very low221 Ų221152.4 Ų152.4100%1.08983%0.828SS**  085.20-73.4170.2172.500106.9
2E35Very low32.2Very low159 Ų159152.8 Ų152.874%0.74383%0.829SS**  85135.362.7-73.8175.2-143.600111.6
3Q33.3Very low33.3Very low147 Ų147151.2 Ų151.269%0.68783%0.832SS**  cis-144.8129.33.6-103.8156.46800107.4
4L33.4Very low33.8Very low147 Ų147145.7 Ų145.777%0.7783%0.827SS**  56.4113.693.7-71.2173.6000115.5
5T29.4Very low33.7Very low151 Ų151142.8 Ų142.893%0.92683%0.828SS**  trans-143.5121.1151.3-60.70000107.3
6T31.4Very low33.5Very low117 Ų117145.8 Ų145.872%0.71884%0.835SS**  trans-114.2133.2-167.4-400000110.1
7L30.6Very low33.6Very low165 Ų165147.5 Ų147.586%0.86483%0.834SS**  trans-64.6140.1168.2-71.2159.4000110.9
8P33.9Very low33.9Very low122 Ų122146.1 Ų146.179%0.79283%0.832SS**  trans-83.9141.4160.432.6-29.9000111.2
9R30.1Very low33.7Very low247 Ų247151.5 Ų151.593%0.93284%0.838SS**  trans-109.1175.4163.3-118.8-154.5173.5175.3-1.1108.7
10P41.5Very low33.6Very low123 Ų123148.9 Ų148.980%0.79984%0.837SS**  trans-93168.1-139.739.3-39.1000114.4
11G28.3Very low33.5Very low77 Ų77149.5 Ų149.579%0.79484%0.837SS**  trans155.797.3160.300000113.7
12D26.6Very low33.6Very low157 Ų157144.1 Ų144.184%0.8482%0.819SS**  trans-158.8119.6149-140.1-14.8000110G14D12-G14 PolarHBondContact O-N 3.05Å
13P46Very low33.5Very low132 Ų132142.1 Ų142.186%0.85782%0.817SS**  trans-9389-176.334.6-31000111.1
14G41.3Very low33.2Very low75 Ų75146.8 Ų146.877%0.77383%0.829SS**  trans-16725.8-170.800000119D12D12-G14 PolarHBondContact O-N 3.05Å
15A31.6Very low33.1Very low102 Ų102148 Ų14884%0.84383%0.83SS**  trans-157.887.5171.500000112.2
16M30.1Very low33.1Very low191 Ų191146 Ų14694%0.94182%0.822SS**  trans-109104.6164.9-164.1171.7-179.800107.8
17E36.6Very low32.8Very low175 Ų175152.4 Ų152.482%0.81883%0.834SS**PPolyproline II helixtrans-67.2140174.5-72.1-163.112500110.5W19E17-W19 PolarHBondContact O-N 3.16Å
18P38.4Very low33Very low122 Ų122150.4 Ų150.479%0.79283%0.828SS**PPolyproline II helixtrans-78.3116.2178.830.4-32.6000110.8A20P18-A20 PolarHBondContact O-N 2.98Å
19W30.5Very low33.1Very low249 Ų249150.8 Ų150.894%0.94383%0.831SS**PPolyproline II helixtrans-62.5126.8164-74.2-20.2000110.3E17 L21E17-W19 PolarHBondContact O-N 3.16Å; W19-L21 PolarHBondContact O-N 3.35Å
20A31.8Very low32.9Very low99 Ų99143.2 Ų143.282%0.81883%0.829SS**PPolyproline II helixtrans-75.5119.2-179.100000111.1P18P18-A20 PolarHBondContact O-N 2.98Å
21L31.8Very low32.4Very low162 Ų162148.8 Ų148.885%0.84884%0.835SS**PPolyproline II helixtrans-78134.3167.3-72168.2000110.1W19 T23W19-L21 PolarHBondContact O-N 3.35Å; L21-T23 PolarHBondContact O-N 3.28Å
22P34.9Very low32.5Very low107 Ų107148.9 Ų148.970%0.69584%0.836SS**PPolyproline II helixtrans-70.512417128.3-32.3000110.4W24P22-W24 PolarHBondContact O-N 2.88Å
23T31.2Very low32.6Very low117 Ų117145.1 Ų145.172%0.71883%0.834SS**PPolyproline II helixtrans-69.1118.517846.20000111.5L21 H25L21-T23 PolarHBondContact O-N 3.28Å; T23-H25 PolarHBondContact O-N 2.94Å
24W28.5Very low31.7Very low246 Ų246148.1 Ų148.193%0.93284%0.836SS**PPolyproline II helixtrans-68.5122.7170.6-75.660.2000110.2P22 S26P22-W24 PolarHBondContact O-N 2.88Å; W24-S26 PolarHBondContact O-N 3.48Å
25H31.5Very low31.8Very low172 Ų172150.4 Ų150.480%0.79684%0.838SS**  trans-80.6115.3176-80-68.5000111.3T23 W27T23-H25 PolarHBondContact O-N 2.94Å; H25-W27 PolarHBondContact O-N 3.45Å
26S29.2Very low31.6Very low108 Ų108151 Ų15176%0.75584%0.835SS**  trans-69.9117.217048.10000111.2W24W24-S26 PolarHBondContact O-N 3.48Å
27W25.4Very low31.5Very low252 Ų252147.3 Ų147.396%0.95583%0.829SS**  trans-75128.3165.1-84.826000110H25H25-W27 PolarHBondContact O-N 3.45Å
28T32.9Very low31.1Very low123 Ų123143.5 Ų143.576%0.75583%0.827SS**  trans-137.5148.3163.545.90000110.2
29P36.1Very low30.6Very low131 Ų131142.3 Ų142.385%0.85183%0.828SS**  trans-81.3127-162.8-13.130.7000112.6R31P29-R31 PolarHBondContact O-N 3.32Å
30G27.2Very low30.9Very low87 Ų87136.8 Ų136.890%0.89782%0.824SS**  trans-71.6124.1175.100000112.6
31R31Very low30.7Very low240 Ų240136.7 Ų136.791%0.90682%0.817SS**  trans-109.9119.1159.5-172.5178.3-68.2-971.1108.1P29P29-R31 PolarHBondContact O-N 3.32Å
32G30.2Very low30.5Very low79 Ų79136.6 Ų136.681%0.81482%0.816SS**  trans-60.7147.2-178.900000112.6
33G28.9Very low30.1Very low78 Ų78135.4 Ų135.480%0.80482%0.815SS**  trans-97.7166.9-17500000114.8
34E27.5Very low29.9Very low195 Ų195137.3 Ų137.391%0.91182%0.821SS**  trans-127.3145.6156.5-74.8-158.5110.600109.3
35P42.8Very low29.9Very low123 Ų123131.4 Ų131.480%0.79981%0.812SS**  trans-102.7167.7-17338.8-35.5000115.2
36S28.1Very low30.9Very low114 Ų114128.8 Ų128.880%0.79781%0.81SS**  trans85.488.1155.7-1580000119.5
37S27.9Very low31.8Very low115 Ų115129.5 Ų129.580%0.80481%0.812SS**  trans-23.4126.2142.3153.10000116
38A26.7Very low31.9Very low95 Ų95122.2 Ų122.279%0.78581%0.806SS**  trans-150.3106.2144.600000109.8
39A29.5Very low31.6Very low97 Ų97120.6 Ų120.680%0.80281%0.805SS**  trans-81.6158.7170.100000111
40P36.6Very low31.3Very low133 Ų133122 Ų12286%0.86480%0.804SS**  -132.5157.4126.635.8-26.7000113
41S26.9Very low31.4Very low96 Ų96126 Ų12667%0.67180%0.8SS**  trans-111.5145.8-172.671.10000113.5
42I28.1Very low31.2Very low161 Ų161122.3 Ų122.383%0.82680%0.797SS**  trans72.1145.3144.6-65.8163.4000118.2
43A25.9Very low31Very low81 Ų81126.2 Ų126.267%0.66979%0.794SS**  trans71.8140.1169.200000116.4
44D26.9Very low30.9Very low157 Ų157129.1 Ų129.184%0.8479%0.787SS**  cis-144.6161.56.9-102.7-40.1000112.8
45T27.9Very low31Very low123 Ų123126.1 Ų126.176%0.75578%0.776SS**  trans-122.7173.2163.2-24.60000106.3
46P52.7Low30.1Very low116 Ų116130.3 Ų130.375%0.75378%0.776SS**  cis-109.2-148.3-24.1-0.628.6000110
47P49.7Very low30.1Very low124 Ų124128.5 Ų128.581%0.80576%0.764SS**  cis-139.517710.842.5-21.1000119.7
48A26.9Very low30Very low99 Ų99131.5 Ų131.582%0.81877%0.765SS**  trans-54.7152.1-17800000118.1
49A27.2Very low29.9Very low89 Ų89135.8 Ų135.874%0.73677%0.769SS**  -165.5115.5129.600000113.7
50L28Very low29.6Very low160 Ų160135.8 Ų135.884%0.83876%0.763SS**  50.9152130-62.6173.7000124.4
51Q30.7Very low29.1Very low172 Ų172134.6 Ų134.680%0.80476%0.758SS**  trans77.2112.9165.1-66.2163.814.300115.7
52L26.8Very low29.2Very low162 Ų162139.3 Ų139.385%0.84877%0.766SS**  54122.766.4-60.7173.2000110.6
53Q26.4Very low30.2Very low160 Ų160137 Ų13775%0.74876%0.761SS**  179.6150.766-175.4162.3-10.300111.5
54E26.7Very low30.5Very low139 Ų139141.9 Ų141.965%0.6577%0.768SS**  trans35.7123.9154.9-66.7179.410700123.1
55L28.1Very low30.8Very low133 Ų133137.4 Ų137.470%0.69676%0.759SS**  52.9121.997.8-52.8173.1000114
56R24.3Very low30.9Very low211 Ų211139.3 Ų139.380%0.79676%0.764SS**  173.5162.257-160-160.9-78.9-146-3110.6
57S28.3Very low29.8Very low76 Ų76136.8 Ų136.853%0.53176%0.759SS.*  trans52.4119.3146.8-80.50000122.3
58E26.5Very low29Very low177 Ų177136.5 Ų136.583%0.82776%0.76SS**  66.3154.3121.1-66.1167.1105.200123
59E23.2Very low29.2Very low185 Ų185137.2 Ų137.286%0.86476%0.759SS**  trans88.3107.6156.4-154.8162.3117.200120.2
60S24Very low29.5Very low98 Ų98144 Ų14469%0.68577%0.766SS**  trans28.4127.5134.9-163.80000120.1
61S26.8Very low30.6Very low107 Ų107141.8 Ų141.875%0.74876%0.761SS**  176.5139.394.5-73.60000115.3
62K29Very low30.7Very low196 Ų196140.4 Ų140.485%0.85276%0.764SS**  trans-63.7164.9158.6-149.4147177.3177.30108.6
63P48.4Very low30.8Very low111 Ų111136.2 Ų136.272%0.72176%0.76SS**  cis-152.4-160.241.845.5-21.7000114.6
64K32.6Very low30.9Very low185 Ų185132 Ų13280%0.80476%0.759SS**  cis-157.5137.9-0.2-142.8163.5-178.9-176.80107
65G32.6Very low31.1Very low63 Ų63132.2 Ų132.265%0.64977%0.77SS**  93.5154.697.800000111.1
66D30.3Very low31Very low162 Ų162133.4 Ų133.487%0.86678%0.777SS**  cis-159.3167-11.3-78.3-45.3000106
67G28.4Very low32.6Very low64 Ų64129.1 Ų129.166%0.6678%0.777SS**  cis-158.6163.81.500000110
68S33.6Very low32.6Very low117 Ų117135.1 Ų135.182%0.81880%0.796SS**  68.3129.692.1-157.40000114.2
69S31.1Very low32.7Very low115 Ų115130.3 Ų130.380%0.80480%0.795SS**  cis-155.716744-53.70000115.2
70R32.9Very low32.9Very low232 Ų232126.2 Ų126.288%0.87579%0.792SS**  trans-116176.8-179.4-150.9-179.6-174.6-176.52.5109.7
71P52.6Low33.1Very low112 Ų112130.4 Ų130.473%0.72780%0.801SS**  -155.6157.192.737.9-18.4000118.4
72V32.9Very low33.1Very low144 Ų144129 Ų12987%0.87380%0.795SS**  trans52.5137.9143.3179.30000119.7
73G28Very low32.9Very low74 Ų74124.7 Ų124.776%0.76379%0.789SS**  cis-177.9-179.52.200000109.6
74G28.3Very low31.9Very low71 Ų71125.9 Ų125.973%0.73279%0.789SS**  trans-145.4175-179.400000113.4
75T30.2Very low31.9Very low143 Ų143123.2 Ų123.288%0.87779%0.79SS**  trans-172153.416022.80000109.8
76D28Very low31.7Very low158 Ų158124.6 Ų124.685%0.84579%0.79SS**  trans-90.7-147-169.8-52.3-77.3000113.9
77P57.7Low31.7Very low121 Ų121125.1 Ų125.179%0.78679%0.792SS**  -124162.3-120.737.6-17.9000115.5
78E26.9Very low31.7Very low202 Ų202125.4 Ų125.494%0.94480%0.795SS**  trans-163156.9166.8-132.3-177141.600114.6
79G28.4Very low31.5Very low77 Ų77128 Ų12879%0.79479%0.794SS**  trans99.484.2143.100000118.7
80A28.1Very low31.2Very low98 Ų98130.9 Ų130.981%0.8180%0.795SS**  trans-108.9137.2151.900000109.3
81E28Very low30.8Very low187 Ų187124.2 Ų124.287%0.87479%0.789SS**  trans-174.8134.1153.8-101.6-95.297.700111.4
82A28Very low29.5Very low76 Ų76124 Ų12463%0.62879%0.79SS**  trans48.8135.5147.300000121.1
83C24.8Very low29.2Very low106 Ų106122.3 Ų122.372%0.71679%0.785SS**  -178.913854-129.40000113.4
84L26.3Very low29.2Very low137 Ų137124.6 Ų124.672%0.71779%0.789SS**  trans60.2150.6143.4-59.2172.8000122.2
85P33.5Very low29.1Very low129 Ų129124.6 Ų124.684%0.83879%0.789SS**  -124.5172.9103.637.4-34.6000113.8
86S27.5Very low29.8Very low92 Ų92123.6 Ų123.664%0.64379%0.785SS**  trans-146.2132.8-179.2-69.90000114.8
87L31.1Very low29.7Very low172 Ų172120.5 Ų120.590%0.90178%0.781SS**  trans57.6129.2144.7-109.379.7000124.1
88G27.1Very low28.1Very low70 Ų70120.2 Ų120.272%0.72278%0.781SS**  trans157.9140.813800000113.4
89Q30.1Very low28Very low173 Ų173119.7 Ų119.781%0.80878%0.779SS**  cis-169.4167.7-18.2-139.1-17982.600109.7
90Q24.5Very low28.1Very low174 Ų174127 Ų12781%0.81378%0.782SS**  trans77.4119.3175.8-51-172.6-9.300115.7
91A25.8Very low28.7Very low92 Ų92127.3 Ų127.376%0.7678%0.776SS**  77130.650.100000112.6
92S25.2Very low28.7Very low108 Ų108126.5 Ų126.576%0.75577%0.772SS**  cis-158.1135.436.2-47.30000115.1
93S26.3Very low28.6Very low109 Ų109131.1 Ų131.176%0.76279%0.786SS**  trans19.6134.1135.763.60000124.2
94S26.6Very low29.1Very low121 Ų121135.6 Ų135.685%0.84680%0.797SS**  -172.8138.4107.539.90000113.7
95G26.8Very low29.4Very low71 Ų71137.3 Ų137.373%0.73280%0.801SS**  trans-95.2-160.6163.100000111
96P44.3Very low29.3Very low123 Ų123137.9 Ų137.980%0.79980%0.802SS**  cis-121.5164.1321510.9000113.5
97A26.6Very low29.3Very low92 Ų92140.9 Ų140.976%0.7681%0.806SS**  60.1139.664.300000113.9
98C24.7Very low29.2Very low116 Ų116136.4 Ų136.478%0.78479%0.794SS**  cis-170.5156.9-4.6-130.80000109.1
99Q25.2Very low29.2Very low190 Ų190143.1 Ų143.189%0.88880%0.803SS**  168.2130.8127-92.2169.633.100113.8
100R30.3Very low29.2Very low231 Ų231141.6 Ų141.687%0.87280%0.8SS**  trans-91.7168.6152.7-64.3-176.7-168.9148.4-0.7108.7
101P39.8Very low29.5Very low104 Ų104142.9 Ų142.968%0.67580%0.803SS**  -139.3176.892.522.2-0.3000111.9
102E27.5Very low30Very low171 Ų171147.7 Ų147.780%0.79981%0.81SS**  cis-167.2144.4-18.5-102.1151-168.800105.7
103D27.1Very low30.1Very low173 Ų173145.7 Ų145.793%0.92581%0.806SS**  trans-125.7129163.3-84.3-50.9000107.3
104E34.7Very low30.9Very low199 Ų199146.8 Ų146.893%0.9381%0.81SS**  trans-89.4131-177.6-77.6-170.3128.100112.4
105E32.9Very low31.4Very low173 Ų173149.9 Ų149.981%0.80881%0.811SS**  trans-93.8143.1172.5179.2177.6-14900110
106V30.7Very low32Very low141 Ų141158.2 Ų158.286%0.85582%0.821SS**  trans-130.398.8166.7-168.80000109.9
107E28Very low32.1Very low156 Ų156158.8 Ų158.873%0.72982%0.817SS**  trans-57.2147.5162.9-78.2-163.7124.500111.5
108A29.9Very low33.7Very low78 Ų78160.8 Ų160.865%0.64581%0.81SS**  171.4116.1105.600000112.7
109F26.8Very low35.1Very low210 Ų210161.1 Ų161.192%0.92181%0.808SS**  175.3119.999.7-107.9-80000111.8
110L30Very low36.7Very low141 Ų141161.6 Ų161.674%0.73880%0.802SS**  trans-72.7151.8175.7-71160.1000112.9
111K30.6Very low38.4Very low201 Ų201153 Ų15387%0.87477%0.773SS**  trans-151.781.5142.8-119.9173.4-174.1179.50114.8
112E36.5Very low39.5Very low194 Ų194155.6 Ų155.691%0.90777%0.774SS**  trans47.6106.7143.3-59.1-171.1171.100121.3
113G27.7Very low41.7Very low65 Ų65151 Ų15167%0.6776%0.755SS**  trans-147.1150.2150.500000107.8Q115G113-Q115 PolarHBondContact O-N 2.9Å
114P41.8Very low44.1Very low133 Ų133149.6 Ų149.686%0.86474%0.737SS**PPolyproline II helixtrans-68.6124.4-155.525.9-34.8000113.9
115Q37.3Very low46.3Very low185 Ų185144.8 Ų144.886%0.86472%0.717SS**PPolyproline II helixtrans-80.1125.1-177.6-138.5162.829.600110.6G113 L117G113-Q115 PolarHBondContact O-N 2.9Å; Q115-L117 PolarHBondContact O-N 3.45Å
116W39.7Very low48.6Very low247 Ų247140.1 Ų140.194%0.93670%0.697SS**PPolyproline II helixtrans-65131.8167.6-76.786.2000109.4H118W116-H118 PolarHBondContact O-N 3.01Å
117L45.9Very low50.8Low135 Ų135139.1 Ų139.171%0.70768%0.678SS**PPolyproline II helixtrans-57.2133.5-176.4-72.1165.9000111Q115 D121Q115-L117 PolarHBondContact O-N 3.45Å; L117-D121 HydrophobicContact CB-CB 4.14Å; L117-D121 HydrophobicContact CD2-CB 4.04Å
118H60.6Low53.5Low134 Ų134135.9 Ų135.962%0.6266%0.663SS**PPolyproline II helixtrans-80.3158.8-175.2-165.336.9000109.7W116 R120 D121W116-H118 PolarHBondContact O-N 3.01Å; H118-R120 PolarHBondContact O-N 2.88Å; H118-D121 PolarHBondContact N-OD2 2.73Å; H118-D121 WeakPolarHBondContact O-CB 3.45Å; H118-D121 PolarHBondContact O-N 3.11Å
119V54.4Low56Low123 Ų123135.3 Ų135.375%0.74565%0.654SS**Hα-helixtrans-55.8-26.5-173.4178.30000113D121 F122V119-D121 VanDerWaalsContact C-N 3.3Å; V119-D121 PolarHBondContact O-N 2.94Å; V119-F122 PolarHBondContact O-N 3.27Å
120R58.7Low58.4Low200 Ų200130.4 Ų130.476%0.75563%0.634SS**Hα-helixtrans-67.4-24174.7-67.8177.463-176.1-1.4114.3H118 R124H118-R120 PolarHBondContact O-N 2.88Å; R120-R124 PolarHBondContact O-N 3.39Å
121D65.5Low61Low51 Ų51132.2 Ų132.227%0.27363%0.631SS.*Hα-helixtrans-77.9-32.6179.2-62.2-45.5000111.9L117 H118 V119 D123 R124 L125L117-D121 HydrophobicContact CB-CB 4.14Å; L117-D121 HydrophobicContact CD2-CB 4.04Å; H118-D121 PolarHBondContact N-OD2 2.73Å; H118-D121 WeakPolarHBondContact O-CB 3.45Å; H118-D121 PolarHBondContact O-N 3.11Å; V119-D121 VanDerWaalsContact C-N 3.3Å; V119-D121 PolarHBondContact O-N 2.94Å; D121-D123 VanDerWaalsContact C-N 3.26Å; D121-D123 PolarHBondContact O-N 3.27Å; D121-R124 WeakPolarHBondContact O-CB 3.35Å; D121-R124 PolarHBondContact O-N 2.95Å; D121-L125 WeakPolarHBondContact O-CD1 3.15Å; D121-L125 PolarHBondContact O-N 3.4Å
122F64.1Low63.7Low157 Ų157126.5 Ų126.569%0.68961%0.608SS**Hα-helixtrans-59.6-43172.6-167.9-94000110.9V119 R124 L125 L126V119-F122 PolarHBondContact O-N 3.27Å; F122-R124 VanDerWaalsContact C-N 3.32Å; F122-R124 PolarHBondContact O-N 3.47Å; F122-L125 PolarHBondContact O-N 3.44Å; F122-L126 VanDerWaalsContact O-CB 3.27Å; F122-L126 WeakPolarHBondContact O-CB 3.34Å; F122-L126 PolarHBondContact O-N 3.44Å
123D72.4Confident66.1Low74 Ų74120.7 Ų120.740%0.39659%0.585SS.*Hα-helixtrans-68.6-30.3179.1-142.739.6000112.2D121 R127D121-D123 VanDerWaalsContact C-N 3.26Å; D121-D123 PolarHBondContact O-N 3.27Å; D123-R127 WeakPolarHBondContact O-CG 3.47Å; D123-R127 PolarHBondContact O-N 2.82Å; D123-R127 PolarHBondContact O-NE 3.32Å; D123-R127 VanDerWaalsContact O-NE 3.07Å; D123-R127 PolarHBondContact O-NH2 3.07Å; D123-R127 IonicContact OD1-NH1 3.99Å; D123-R127 IonicContact OD2-CZ 2.94Å; D123-R127 VanDerWaalsContact OD2-CZ 3.24Å; D123-R127 IonicContact OD2-NH1 3.77Å; D123-R127 PolarHBondContact OD2-NH1 2.92Å; D123-R127 IonicContact OD2-NH2 2.83Å; D123-R127 PolarHBondContact OD2-NH2 3.49Å
124R78.3Confident68.9Low144 Ų144122.9 Ų122.954%0.54358%0.581SS.*Hα-helixtrans-70.6-52.3168.8172.9-173.1-88.9-9012.7111.3R120 D121 F122 L126 R127 E128R120-R124 PolarHBondContact O-N 3.39Å; D121-R124 WeakPolarHBondContact O-CB 3.35Å; D121-R124 PolarHBondContact O-N 2.95Å; F122-R124 VanDerWaalsContact C-N 3.32Å; F122-R124 PolarHBondContact O-N 3.47Å; R124-L126 VanDerWaalsContact C-N 3.28Å; R124-L126 PolarHBondContact O-N 2.79Å; R124-R127 PolarHBondContact O-N 3.18Å; R124-R127 VanDerWaalsContact O-N 3.13Å; R124-E128 HydrophobicContact CG-CG 4.44Å; R124-E128 WeakPolarHBondContact CG-OE1 3.22Å; R124-E128 IonicContact CZ-OE1 2.65Å; R124-E128 IonicContact NH1-OE1 3.19Å; R124-E128 PolarHBondContact NH1-OE1 3.14Å; R124-E128 WeakPolarHBondContact O-CG 3.36Å; R124-E128 PolarHBondContact O-N 2.98Å
125L81Confident71.2Confident98 Ų98122 Ų12251%0.51356%0.56SS.*Hα-helixtrans-59.1-39179.1-101.177.3000111.6D121 F122 E128 S129D121-L125 WeakPolarHBondContact O-CD1 3.15Å; D121-L125 PolarHBondContact O-N 3.4Å; F122-L125 PolarHBondContact O-N 3.44Å; L125-E128 PolarHBondContact O-N 3.36Å; L125-S129 WeakPolarHBondContact O-CB 3.32Å; L125-S129 PolarHBondContact O-N 2.85Å
126L81Confident73.6Confident76 Ų76116.8 Ų116.840%0.39854%0.538SS..Hα-helixtrans-63.2-43.1176.5-174.861.6000111.2F122 R124 Q130F122-L126 VanDerWaalsContact O-CB 3.27Å; F122-L126 WeakPolarHBondContact O-CB 3.34Å; F122-L126 PolarHBondContact O-N 3.44Å; R124-L126 VanDerWaalsContact C-N 3.28Å; R124-L126 PolarHBondContact O-N 2.79Å; L126-Q130 WeakPolarHBondContact O-CB 3.39Å; L126-Q130 WeakPolarHBondContact O-CG 3.42Å; L126-Q130 PolarHBondContact O-N 2.79Å
127R77.6Confident75.5Confident119 Ų119110.7 Ų110.745%0.44952%0.52SS..Hα-helixtrans-68.7-33.6174.9-75.7-177.2-77.1-981113.1D123 R124 R131D123-R127 WeakPolarHBondContact O-CG 3.47Å; D123-R127 PolarHBondContact O-N 2.82Å; D123-R127 PolarHBondContact O-NE 3.32Å; D123-R127 VanDerWaalsContact O-NE 3.07Å; D123-R127 PolarHBondContact O-NH2 3.07Å; D123-R127 IonicContact OD1-NH1 3.99Å; D123-R127 IonicContact OD2-CZ 2.94Å; D123-R127 VanDerWaalsContact OD2-CZ 3.24Å; D123-R127 IonicContact OD2-NH1 3.77Å; D123-R127 PolarHBondContact OD2-NH1 2.92Å; D123-R127 IonicContact OD2-NH2 2.83Å; D123-R127 PolarHBondContact OD2-NH2 3.49Å; R124-R127 PolarHBondContact O-N 3.18Å; R124-R127 VanDerWaalsContact O-N 3.13Å; R127-R131 WeakPolarHBondContact O-CD 3.23Å; R127-R131 WeakPolarHBondContact O-CG 3.48Å; R127-R131 PolarHBondContact O-N 3.42Å
128E82.9Confident77.1Confident88 Ų88113.1 Ų113.141%0.41152%0.52SS..Hα-helixtrans-73.9-41.5176.2-73172.6-168.800111.3R124 L125 R131 E132R124-E128 HydrophobicContact CG-CG 4.44Å; R124-E128 WeakPolarHBondContact CG-OE1 3.22Å; R124-E128 IonicContact CZ-OE1 2.65Å; R124-E128 IonicContact NH1-OE1 3.19Å; R124-E128 PolarHBondContact NH1-OE1 3.14Å; R124-E128 WeakPolarHBondContact O-CG 3.36Å; R124-E128 PolarHBondContact O-N 2.98Å; L125-E128 PolarHBondContact O-N 3.36Å; E128-R131 WeakPolarHBondContact O-CB 3.49Å; E128-R131 PolarHBondContact O-N 3.46Å; E128-E132 PolarHBondContact O-N 3.18Å
129S84.1Confident78Confident67 Ų67111.8 Ų111.847%0.46951%0.514SS..Hα-helixtrans-58.6-48.8171177.50000112L125 R131 E132 V133L125-S129 WeakPolarHBondContact O-CB 3.32Å; L125-S129 PolarHBondContact O-N 2.85Å; S129-R131 VanDerWaalsContact C-N 3.3Å; S129-R131 PolarHBondContact O-N 3Å; S129-E132 PolarHBondContact O-N 2.84Å; S129-E132 VanDerWaalsContact O-N 3.09Å; S129-V133 WeakPolarHBondContact O-CG2 3.4Å; S129-V133 PolarHBondContact O-N 3.14Å
130Q76.9Confident79.4Confident107 Ų107110.5 Ų110.550%0.550%0.502SS..Hα-helixtrans-60.3-37176.3-74.6171.7300112.8L126 L134L126-Q130 WeakPolarHBondContact O-CB 3.39Å; L126-Q130 WeakPolarHBondContact O-CG 3.42Å; L126-Q130 PolarHBondContact O-N 2.79Å; Q130-L134 WeakPolarHBondContact O-CG 3.48Å; Q130-L134 PolarHBondContact O-N 3.33Å; Q130-L134 VanDerWaalsContact O-N 3.13Å
131R83.8Confident80.2Confident178 Ų178103.1 Ų103.167%0.67248%0.484SS*.Hα-helixtrans-67-39.7173.8-73.7168.4-174.5-159.31.6112R127 E128 S129 L134 R135R127-R131 WeakPolarHBondContact O-CD 3.23Å; R127-R131 WeakPolarHBondContact O-CG 3.48Å; R127-R131 PolarHBondContact O-N 3.42Å; E128-R131 WeakPolarHBondContact O-CB 3.49Å; E128-R131 PolarHBondContact O-N 3.46Å; S129-R131 VanDerWaalsContact C-N 3.3Å; S129-R131 PolarHBondContact O-N 3Å; R131-L134 PolarHBondContact O-N 3Å; R131-R135 WeakPolarHBondContact O-CB 3.29Å; R131-R135 PolarHBondContact O-N 3.41Å
132E86.6Confident80.7Confident81 Ų81105.2 Ų105.238%0.37949%0.494SS..Hα-helixtrans-70.5-38.3179.4-17258.5-165.100112E128 S129 L134 R135 L136E128-E132 PolarHBondContact O-N 3.18Å; S129-E132 PolarHBondContact O-N 2.84Å; S129-E132 VanDerWaalsContact O-N 3.09Å; E132-L134 PolarHBondContact O-N 2.99Å; E132-R135 VanDerWaalsContact CD-NE 3.26Å; E132-R135 WeakPolarHBondContact O-CB 3.47Å; E132-R135 PolarHBondContact O-N 3.04Å; E132-R135 VanDerWaalsContact O-N 3.15Å; E132-R135 IonicContact OE1-CZ 3.91Å; E132-R135 IonicContact OE1-NE 3.05Å; E132-R135 PolarHBondContact OE1-NE 3.48Å; E132-R135 IonicContact OE1-NH2 2.78Å; E132-R135 PolarHBondContact OE1-NH2 3.4Å; E132-R135 WeakPolarHBondContact OE2-CD 3.41Å; E132-R135 IonicContact OE2-CZ 3.85Å; E132-R135 IonicContact OE2-NE 3.91Å; E132-R135 PolarHBondContact OE2-NE 3.35Å; E132-R135 IonicContact OE2-NH2 2.76Å; E132-L136 HydrophobicContact CG-CD1 4.31Å; E132-L136 WeakPolarHBondContact O-CB 3.29Å; E132-L136 WeakPolarHBondContact O-CG 3.5Å; E132-L136 PolarHBondContact O-N 2.8Å
133V88.9Confident81.3Confident72 Ų72105.2 Ų105.244%0.43649%0.49SS..Hα-helixtrans-59.3-45.2170.3171.20000111S129 R135 L136 Q137S129-V133 WeakPolarHBondContact O-CG2 3.4Å; S129-V133 PolarHBondContact O-N 3.14Å; V133-R135 VanDerWaalsContact C-N 3.33Å; V133-R135 PolarHBondContact O-N 3.23Å; V133-L136 PolarHBondContact O-N 2.78Å; V133-Q137 HydrophobicContact CG1-CG 4.47Å; V133-Q137 WeakPolarHBondContact O-CB 3.36Å; V133-Q137 WeakPolarHBondContact O-CG 3.41Å; V133-Q137 PolarHBondContact O-N 2.93Å
134L85.3Confident81.2Confident111 Ų111105.7 Ų105.758%0.58149%0.492SS*.Hα-helixtrans-65-35.4174.7-72.8169.7000112.5Q130 R131 E132 R138Q130-L134 WeakPolarHBondContact O-CG 3.48Å; Q130-L134 PolarHBondContact O-N 3.33Å; Q130-L134 VanDerWaalsContact O-N 3.13Å; R131-L134 PolarHBondContact O-N 3Å; E132-L134 PolarHBondContact O-N 2.99Å; L134-R138 VanDerWaalsContact O-CB 3.28Å; L134-R138 WeakPolarHBondContact O-CB 3.43Å; L134-R138 PolarHBondContact O-N 3.34Å
135R90.1Very high80.5Confident114 Ų114105 Ų10543%0.4350%0.495SS..Hα-helixtrans-63.8-44.2174.6-161.7-169.770.366.45.4111.2R131 E132 V133 R138 Q139R131-R135 WeakPolarHBondContact O-CB 3.29Å; R131-R135 PolarHBondContact O-N 3.41Å; E132-R135 VanDerWaalsContact CD-NE 3.26Å; E132-R135 WeakPolarHBondContact O-CB 3.47Å; E132-R135 PolarHBondContact O-N 3.04Å; E132-R135 VanDerWaalsContact O-N 3.15Å; E132-R135 IonicContact OE1-CZ 3.91Å; E132-R135 IonicContact OE1-NE 3.05Å; E132-R135 PolarHBondContact OE1-NE 3.48Å; E132-R135 IonicContact OE1-NH2 2.78Å; E132-R135 PolarHBondContact OE1-NH2 3.4Å; E132-R135 WeakPolarHBondContact OE2-CD 3.41Å; E132-R135 IonicContact OE2-CZ 3.85Å; E132-R135 IonicContact OE2-NE 3.91Å; E132-R135 PolarHBondContact OE2-NE 3.35Å; E132-R135 IonicContact OE2-NH2 2.76Å; V133-R135 VanDerWaalsContact C-N 3.33Å; V133-R135 PolarHBondContact O-N 3.23Å; R135-R138 PolarHBondContact O-N 2.8Å; R135-Q139 PolarHBondContact O-N 2.9Å
136L87.8Confident79.5Confident77 Ų77110.8 Ų110.840%0.40351%0.51SS..Hα-helixtrans-70.2-45.1178.3-71.2169.4000112E132 V133 R138 Q139 I140E132-L136 HydrophobicContact CG-CD1 4.31Å; E132-L136 WeakPolarHBondContact O-CB 3.29Å; E132-L136 WeakPolarHBondContact O-CG 3.5Å; E132-L136 PolarHBondContact O-N 2.8Å; V133-L136 PolarHBondContact O-N 2.78Å; L136-R138 VanDerWaalsContact C-N 3.28Å; L136-R138 PolarHBondContact O-N 3.45Å; L136-Q139 CarbonylContact O-C 3.59Å; L136-Q139 WeakPolarHBondContact O-CA 3.28Å; L136-Q139 WeakPolarHBondContact O-CB 3.49Å; L136-Q139 PolarHBondContact O-N 3.25Å; L136-I140 WeakPolarHBondContact O-CG1 3.46Å; L136-I140 PolarHBondContact O-N 2.95Å
137Q79.3Confident78.3Confident118 Ų118112.7 Ų112.755%0.55152%0.517SS*.Hα-helixtrans-58.1-40172.6-79.1-177.5-19.600111.6V133 I140 A141V133-Q137 HydrophobicContact CG1-CG 4.47Å; V133-Q137 WeakPolarHBondContact O-CB 3.36Å; V133-Q137 WeakPolarHBondContact O-CG 3.41Å; V133-Q137 PolarHBondContact O-N 2.93Å; Q137-I140 PolarHBondContact O-N 3.09Å; Q137-A141 WeakPolarHBondContact O-CB 3.31Å; Q137-A141 PolarHBondContact O-N 3.38Å
138R80.1Confident76.8Confident187 Ų187112.2 Ų112.271%0.70653%0.528SS*.Hα-helixtrans-65.9-38.4173.7-169177.5-176.6-163.41.4112.4L134 R135 L136 L142L134-R138 VanDerWaalsContact O-CB 3.28Å; L134-R138 WeakPolarHBondContact O-CB 3.43Å; L134-R138 PolarHBondContact O-N 3.34Å; R135-R138 PolarHBondContact O-N 2.8Å; L136-R138 VanDerWaalsContact C-N 3.28Å; L136-R138 PolarHBondContact O-N 3.45Å; R138-L142 HydrophobicContact CG-CD1 4.2Å; R138-L142 WeakPolarHBondContact O-CB 3.45Å; R138-L142 WeakPolarHBondContact O-CD1 3.39Å; R138-L142 VanDerWaalsContact O-CG 3.23Å; R138-L142 WeakPolarHBondContact O-CG 3.43Å; R138-L142 PolarHBondContact O-N 3.48Å
139Q80.3Confident75Confident105 Ų105114.7 Ų114.749%0.49154%0.543SS..Hα-helixtrans-64-41.9172.9-99.7-176.6-52.700112.3R135 L136 L142 R143R135-Q139 PolarHBondContact O-N 2.9Å; L136-Q139 CarbonylContact O-C 3.59Å; L136-Q139 WeakPolarHBondContact O-CA 3.28Å; L136-Q139 WeakPolarHBondContact O-CB 3.49Å; L136-Q139 PolarHBondContact O-N 3.25Å; Q139-L142 PolarHBondContact O-N 3.32Å; Q139-R143 WeakPolarHBondContact O-CB 3.35Å; Q139-R143 PolarHBondContact O-N 3.32Å
140I82.2Confident73.2Confident96 Ų96117.5 Ų117.549%0.49256%0.56SS.*Hα-helixtrans-66.7-44.1176.6-66.2164.1000110.4L136 Q137 L142 R143 N144L136-I140 WeakPolarHBondContact O-CG1 3.46Å; L136-I140 PolarHBondContact O-N 2.95Å; Q137-I140 PolarHBondContact O-N 3.09Å; I140-L142 PolarHBondContact O-N 2.86Å; I140-R143 WeakPolarHBondContact O-CB 3.4Å; I140-R143 PolarHBondContact O-N 3.19Å; I140-R143 VanDerWaalsContact O-N 3.14Å; I140-N144 WeakPolarHBondContact O-CB 3.33Å; I140-N144 PolarHBondContact O-N 2.78Å; I140-N144 PolarHBondContact O-OD1 3Å
141A75.3Confident71.9Confident46 Ų46120.3 Ų120.338%0.3858%0.577SS.*Hα-helixtrans-60.3-42.5175.600000112.4Q137 R143 N144 Q145Q137-A141 WeakPolarHBondContact O-CB 3.31Å; Q137-A141 PolarHBondContact O-N 3.38Å; A141-R143 VanDerWaalsContact C-N 3.33Å; A141-N144 PolarHBondContact O-N 2.65Å; A141-Q145 WeakPolarHBondContact O-CB 3.25Å; A141-Q145 WeakPolarHBondContact O-CG 3.49Å; A141-Q145 PolarHBondContact O-N 3.13Å
142L76.1Confident69.9Low94 Ų94117.1 Ų117.149%0.49258%0.58SS.*Hα-helixtrans-68-30.9175.1-72.1168.2000112.8R138 Q139 I140 R146R138-L142 HydrophobicContact CG-CD1 4.2Å; R138-L142 WeakPolarHBondContact O-CB 3.45Å; R138-L142 WeakPolarHBondContact O-CD1 3.39Å; R138-L142 VanDerWaalsContact O-CG 3.23Å; R138-L142 WeakPolarHBondContact O-CG 3.43Å; R138-L142 PolarHBondContact O-N 3.48Å; Q139-L142 PolarHBondContact O-N 3.32Å; I140-L142 PolarHBondContact O-N 2.86Å; L142-R146 PolarHBondContact O-N 2.82Å
143R78Confident67.8Low158 Ų158119 Ų11960%0.59660%0.599SS**Hα-helixtrans-69-48.4171.8-177.6-178.1169.2-158.8-13111Q139 I140 A141 Q145 R146 E147Q139-R143 WeakPolarHBondContact O-CB 3.35Å; Q139-R143 PolarHBondContact O-N 3.32Å; I140-R143 WeakPolarHBondContact O-CB 3.4Å; I140-R143 PolarHBondContact O-N 3.19Å; I140-R143 VanDerWaalsContact O-N 3.14Å; A141-R143 VanDerWaalsContact C-N 3.33Å; R143-Q145 VanDerWaalsContact C-N 3.27Å; R143-Q145 PolarHBondContact O-N 3.46Å; R143-R146 CarbonylContact O-C 3.6Å; R143-R146 WeakPolarHBondContact O-CA 3.23Å; R143-R146 WeakPolarHBondContact O-CB 3.15Å; R143-R146 PolarHBondContact O-N 2.85Å; R143-E147 IonicContact CZ-OE1 3Å; R143-E147 IonicContact NE-OE1 3.94Å; R143-E147 PolarHBondContact NE-OE1 3.15Å; R143-E147 IonicContact NE-OE2 3.77Å; R143-E147 IonicContact NH2-OE1 2.95Å; R143-E147 PolarHBondContact NH2-OE1 3.35Å; R143-E147 IonicContact NH2-OE2 3.21Å; R143-E147 PolarHBondContact O-N 3.46Å
144N70Confident65.3Low83 Ų83120.3 Ų120.344%0.44461%0.611SS.*Hα-helixtrans-63.9-33.3-179.4-64.21.5000111.8I140 A141 R146 E147 T148I140-N144 WeakPolarHBondContact O-CB 3.33Å; I140-N144 PolarHBondContact O-N 2.78Å; I140-N144 PolarHBondContact O-OD1 3Å; A141-N144 PolarHBondContact O-N 2.65Å; N144-R146 VanDerWaalsContact C-N 3.35Å; N144-E147 PolarHBondContact O-N 2.97Å; N144-T148 PolarHBondContact O-N 2.75Å; N144-T148 PolarHBondContact O-OG1 2.76Å
145Q64.2Low62.5Low131 Ų131126.7 Ų126.761%0.61263%0.628SS**Hα-helixtrans-68.9-28170.6-73.9177.520.400113.6A141 R143 T148A141-Q145 WeakPolarHBondContact O-CB 3.25Å; A141-Q145 WeakPolarHBondContact O-CG 3.49Å; A141-Q145 PolarHBondContact O-N 3.13Å; R143-Q145 VanDerWaalsContact C-N 3.27Å; R143-Q145 PolarHBondContact O-N 3.46Å; Q145-T148 WeakPolarHBondContact CA-OG1 3.37Å; Q145-T148 PolarHBondContact O-OG1 2.98Å
146R60.2Low60.4Low218 Ų218126.3 Ų126.382%0.82364%0.64SS**Hα-helixtrans-76.5-28.6171-92.3179.7166.1171.6-3.9113L142 R143 N144 T148L142-R146 PolarHBondContact O-N 2.82Å; R143-R146 CarbonylContact O-C 3.6Å; R143-R146 WeakPolarHBondContact O-CA 3.23Å; R143-R146 WeakPolarHBondContact O-CB 3.15Å; R143-R146 PolarHBondContact O-N 2.85Å; N144-R146 VanDerWaalsContact C-N 3.35Å; R146-T148 VanDerWaalsContact C-N 3.35Å
147E55.2Low58.3Low116 Ų116128.3 Ų128.354%0.54266%0.658SS.*Hα-helixtrans-84.1-5.9178.6-70.2175.4178.900113.3R143 N144R143-E147 IonicContact CZ-OE1 3Å; R143-E147 IonicContact NE-OE1 3.94Å; R143-E147 PolarHBondContact NE-OE1 3.15Å; R143-E147 IonicContact NE-OE2 3.77Å; R143-E147 IonicContact NH2-OE1 2.95Å; R143-E147 PolarHBondContact NH2-OE1 3.35Å; R143-E147 IonicContact NH2-OE2 3.21Å; R143-E147 PolarHBondContact O-N 3.46Å; N144-E147 PolarHBondContact O-N 2.97Å
148T46.1Very low56Low110 Ų110126.3 Ų126.368%0.67567%0.669SS**THydrogen-bonded Turntrans-104.413.5-178.634.90000115.5N144 Q145 R146N144-T148 PolarHBondContact O-N 2.75Å; N144-T148 PolarHBondContact O-OG1 2.76Å; Q145-T148 WeakPolarHBondContact CA-OG1 3.37Å; Q145-T148 PolarHBondContact O-OG1 2.98Å; R146-T148 VanDerWaalsContact C-N 3.35Å
149L44.8Very low54.4Low140 Ų140123 Ų12373%0.73367%0.671SS**SBendtrans-89.3128.9167.9-81.7164.4000110.8L151L149-L151 PolarHBondContact O-N 3Å
150P45.7Very low52.5Low126 Ų126122.7 Ų122.782%0.81869%0.687SS**PPolyproline II helixtrans-73.2126.5-177.4-12.527.1000112.3
151L49.3Very low50.3Low166 Ų166126 Ų12687%0.86971%0.705SS**PPolyproline II helixtrans-91.9138161.2-80.3162.9000109.7L149L149-L151 PolarHBondContact O-N 3Å
152P43.8Very low48.4Very low111 Ų111132.6 Ų132.672%0.72173%0.727SS**PPolyproline II helixtrans-72.4159.2-177.429.8-34.9000112.9
153P40.8Very low46.3Very low119 Ų119133.2 Ų133.277%0.77375%0.746SS**PPolyproline II helixtrans-85.2133.5-160.532.3-36.5000116.1
154S36.7Very low44Very low100 Ų100137.4 Ų137.470%0.69976%0.762SS**  trans44.3130.613768.10000122.5
155W26.6Very low42.4Very low246 Ų246138.6 Ų138.693%0.93278%0.783SS**  -149.3169.3119.8-119.9-34.6000110.5
156P46.1Very low40.7Very low106 Ų106136 Ų13669%0.68879%0.792SS**  -110.1177.4-116.342-29.6000114
157P44.6Very low39.4Very low119 Ų119130.4 Ų130.477%0.77379%0.792SS**PPolyproline II helixtrans-92151.4-159.435.7-34.9000115
158G29.7Very low38.8Very low76 Ų76131 Ų13178%0.78481%0.806SS**PPolyproline II helixtrans-93.4116.9154.600000109.6
159P46.8Very low38.6Very low116 Ų116130.4 Ų130.475%0.75381%0.812SS**PPolyproline II helixtrans-81.7138.8-17431.4-34000112.4
160A40.1Very low38.3Very low100 Ų100129.8 Ų129.883%0.82682%0.816SS**PPolyproline II helixtrans-82.7130.8156.200000108.8
161L37.2Very low37.7Very low166 Ų166127.5 Ų127.587%0.86982%0.816SS**  trans-137.7153.7161.2-92.9-177.8000112.2
162Q34.9Very low37Very low183 Ų183124.3 Ų124.386%0.85581%0.813SS**  trans-72155.5-164.6-65.5162.3-11.500113.1R164Q162-R164 PolarHBondContact O-N 3.15Å
163A32.8Very low37.2Very low107 Ų107125.5 Ų125.588%0.88482%0.821SS**  trans-67.7129.5172.100000111.8
164R28.9Very low36.7Very low247 Ų247123.2 Ų123.293%0.93282%0.819SS**  trans-139.1145.4149.7-166161-180153.6-1.3109.5Q162Q162-R164 PolarHBondContact O-N 3.15Å
165A36.7Very low36.3Very low107 Ų107127.8 Ų127.888%0.88483%0.83SS**  trans-64.9143.4-165.200000114.5
166G28.8Very low36.5Very low78 Ų78121 Ų12180%0.80483%0.825SS**  trans171.4102.3170.900000112.2
167A33.1Very low35.9Very low99 Ų99121.8 Ų121.882%0.81883%0.829SS**  trans-71.9157.9156.900000108.6
168P42.3Very low35.8Very low130 Ų130122 Ų12284%0.84483%0.83SS**  cis-139.5-166.835.338.8-16.9000116.3
169A40.5Very low35.7Very low96 Ų96127 Ų12779%0.79383%0.833SS**  trans-59.5161.4-170.800000117.6
170P40Very low35.4Very low127 Ų127129.5 Ų129.583%0.82584%0.835SS**  trans-109.2138.7155.135.7-25.7000112.7
171G31.6Very low35Very low78 Ų78132.1 Ų132.180%0.80484%0.835SS**  trans-90.4161.1162.700000112
172A35.2Very low34.9Very low99 Ų99128 Ų12882%0.81882%0.824SS**  trans-75169.9167.900000110.9
173P47.3Very low34.8Very low137 Ų137126.5 Ų126.589%0.8982%0.822SS**  -150.5-176.272.139.6-19.3000116.1
174G31Very low34.7Very low70 Ų70128.6 Ų128.672%0.72282%0.819SS**  trans117.870.2167.600000114.1
175E29.3Very low35.4Very low197 Ų197123.3 Ų123.392%0.92181%0.808SS**  83.599.266.7-168.2175.1-147.900114.1
176A28.8Very low35.9Very low102 Ų102124.1 Ų124.184%0.84380%0.804SS**  trans-166.5103.1149.900000109.9
177T34.7Very low36.6Very low124 Ų124124.2 Ų124.276%0.76179%0.789SS**  trans-81.9159.7163.749.20000109.7
178P43.1Very low37Very low124 Ų124126.6 Ų126.681%0.80579%0.787SS**  -124.813676.56.916.2000111.6
179Q26.7Very low37.1Very low179 Ų179128.5 Ų128.584%0.83679%0.789SS**  82.6119.967.8-170.2156.6-28.100113.4
180E39.8Very low37.2Very low170 Ų170125.6 Ų125.679%0.79477%0.768SS**  trans-70.8145.9178.2-58.2169.2127.700110.9
181D32.2Very low37.8Very low155 Ų155125.3 Ų125.383%0.82976%0.756SS**  173.6164.999.4-108-38.2000114.2
182A34.6Very low39Very low78 Ų78125.9 Ų125.965%0.64575%0.745SS**  trans77108.615700000121.4
183D34.2Very low40.2Very low152 Ų152126.7 Ų126.781%0.81373%0.732SS**  86.4143.1125.9-68.9-28.1000124.1
184N30.9Very low41.2Very low151 Ų151126.6 Ų126.681%0.80772%0.718SS**  trans76.4106.2164.4-77.8-69.2000120.5
185L42.7Very low43.2Very low136 Ų136129.2 Ų129.271%0.71271%0.711SS**  trans-42.3150139.2-119.572.7000111.1V187L185-V187 HydrophobicContact CD2-CB 3.98Å; L185-V187 HydrophobicContact CD2-CG2 3.64Å; L185-V187 HydrophobicContact CG-CG2 4.14Å
186P46.3Very low45.5Very low124 Ų124126.5 Ų126.581%0.80570%0.698SS**  -129.5124.588.132.8-23.3000113.9
187V45.3Very low48.1Very low81 Ų81129 Ų12949%0.49169%0.686SS.*  trans-54.9134.8145.61600000108L185L185-V187 HydrophobicContact CD2-CB 3.98Å; L185-V187 HydrophobicContact CD2-CG2 3.64Å; L185-V187 HydrophobicContact CG-CG2 4.14Å
188I40.2Very low50.4Low148 Ų148126.7 Ų126.776%0.75967%0.672SS**  trans-164.7120.9134.8-103.8154.8000110.5
189L43.8Very low52.4Low171 Ų171126.8 Ų126.890%0.89566%0.661SS**SBendtrans66.587.2160.1-60.3171.1000118.9
190G44.5Very low55.4Low34 Ų34123.8 Ų123.835%0.35165%0.647SS.*  trans179.919.6158.600000116.1K194G190-K194 WeakPolarHBondContact O-CD 3.49Å; G190-K194 VanDerWaalsContact O-CG 3.32Å; G190-K194 WeakPolarHBondContact O-CG 3.46Å
191E51.2Low57.8Low121 Ų121120.7 Ų120.757%0.56564%0.636SS**Hα-helixtrans-89.3-36.7-168.8-56.4-153.8128.800116.7E193 K194 E195E191-E193 VanDerWaalsContact C-N 3.35Å; E191-E193 PolarHBondContact O-N 2.82Å; E191-K194 PolarHBondContact O-N 3.33Å; E191-K194 VanDerWaalsContact O-N 3.16Å; E191-E195 PolarHBondContact O-N 3.2Å; E191-E195 VanDerWaalsContact O-N 3.11Å
192P57.7Low60.5Low91 Ų91119 Ų11959%0.59162%0.622SS**Hα-helixtrans-68.7-32.1-177.927.2-34.3000112.9Q196P192-Q196 WeakPolarHBondContact O-CB 3.36Å; P192-Q196 WeakPolarHBondContact O-CG 3.36Å; P192-Q196 PolarHBondContact O-N 2.85Å
193E59.4Low63.1Low116 Ų116117.5 Ų117.554%0.54261%0.607SS.*Hα-helixtrans-68.7-33.8174.3-75.1-163.5-159.100112.7E191 R197E191-E193 VanDerWaalsContact C-N 3.35Å; E191-E193 PolarHBondContact O-N 2.82Å; E193-R197 WeakPolarHBondContact O-CB 3.21Å; E193-R197 WeakPolarHBondContact O-CD 3.44Å; E193-R197 WeakPolarHBondContact O-CG 3.33Å; E193-R197 PolarHBondContact O-N 2.98Å; E193-R197 IonicContact OE2-CZ 2.66Å; E193-R197 IonicContact OE2-NE 2.79Å; E193-R197 IonicContact OE2-NH2 3.84Å; E193-R197 PolarHBondContact OE2-NH2 3.45Å
194K68.6Low65.9Low134 Ų134114.3 Ų114.358%0.58359%0.588SS**Hα-helixtrans-69.1-45.4177.7-71.5174.8-173.7176.40110G190 E191 R197 V198G190-K194 WeakPolarHBondContact O-CD 3.49Å; G190-K194 VanDerWaalsContact O-CG 3.32Å; G190-K194 WeakPolarHBondContact O-CG 3.46Å; E191-K194 PolarHBondContact O-N 3.33Å; E191-K194 VanDerWaalsContact O-N 3.16Å; K194-R197 PolarHBondContact O-N 2.81Å; K194-V198 WeakPolarHBondContact O-CB 3.44Å; K194-V198 VanDerWaalsContact O-CG2 3.29Å; K194-V198 WeakPolarHBondContact O-CG2 3.22Å; K194-V198 PolarHBondContact O-N 3.07Å
195E73.3Confident68.9Low126 Ų126111.6 Ų111.659%0.58957%0.573SS**Hα-helixtrans-61.9-44.4175.7-68-176.715300112.3E191 R197 V198 Q199E191-E195 PolarHBondContact O-N 3.2Å; E191-E195 VanDerWaalsContact O-N 3.11Å; E195-R197 PolarHBondContact O-N 2.8Å; E195-V198 PolarHBondContact O-N 3.37Å; E195-Q199 WeakPolarHBondContact O-CG 3.44Å; E195-Q199 PolarHBondContact O-N 3.05Å
196Q76.9Confident71.2Confident139 Ų139107.8 Ų107.865%0.6556%0.558SS**Hα-helixtrans-62.3-42175-77.7-175.2-14.500112.7P192 Q199 Q200P192-Q196 WeakPolarHBondContact O-CB 3.36Å; P192-Q196 WeakPolarHBondContact O-CG 3.36Å; P192-Q196 PolarHBondContact O-N 2.85Å; Q196-Q199 PolarHBondContact O-N 3.44Å; Q196-Q200 WeakPolarHBondContact O-CB 3.36Å; Q196-Q200 PolarHBondContact O-N 3.31Å
197R84.1Confident73.6Confident156 Ų156108.5 Ų108.559%0.58955%0.548SS*.Hα-helixtrans-64.3-40.2175.2-73170-165.7-132.110.4111.7E193 K194 E195 Q200 L201E193-R197 WeakPolarHBondContact O-CB 3.21Å; E193-R197 WeakPolarHBondContact O-CD 3.44Å; E193-R197 WeakPolarHBondContact O-CG 3.33Å; E193-R197 PolarHBondContact O-N 2.98Å; E193-R197 IonicContact OE2-CZ 2.66Å; E193-R197 IonicContact OE2-NE 2.79Å; E193-R197 IonicContact OE2-NH2 3.84Å; E193-R197 PolarHBondContact OE2-NH2 3.45Å; K194-R197 PolarHBondContact O-N 2.81Å; E195-R197 PolarHBondContact O-N 2.8Å; R197-Q200 PolarHBondContact O-N 2.8Å; R197-L201 WeakPolarHBondContact O-CB 3.39Å; R197-L201 VanDerWaalsContact O-CG 3.22Å; R197-L201 WeakPolarHBondContact O-CG 3.46Å; R197-L201 PolarHBondContact O-N 3.24Å
198V83.4Confident75.9Confident75 Ų75111.1 Ų111.146%0.45555%0.553SS.*Hα-helixtrans-62.6-51.2174.81690000110.4K194 E195 Q200 L201 E202K194-V198 WeakPolarHBondContact O-CB 3.44Å; K194-V198 VanDerWaalsContact O-CG2 3.29Å; K194-V198 WeakPolarHBondContact O-CG2 3.22Å; K194-V198 PolarHBondContact O-N 3.07Å; E195-V198 PolarHBondContact O-N 3.37Å; V198-Q200 VanDerWaalsContact C-N 3.31Å; V198-Q200 PolarHBondContact O-N 3.13Å; V198-L201 CarbonylContact O-C 3.51Å; V198-L201 PolarHBondContact O-N 2.77Å; V198-E202 HydrophobicContact CG1-CG 4.29Å; V198-E202 WeakPolarHBondContact O-CB 3.4Å; V198-E202 VanDerWaalsContact O-CG 3.31Å; V198-E202 WeakPolarHBondContact O-CG 3.35Å; V198-E202 PolarHBondContact O-N 2.73Å
199Q85.4Confident78.5Confident126 Ų126112.2 Ų112.259%0.58955%0.547SS*.Hα-helixtrans-60.4-37.7177.5-71.117916.100112.8E195 Q196 E202 S203E195-Q199 WeakPolarHBondContact O-CG 3.44Å; E195-Q199 PolarHBondContact O-N 3.05Å; Q196-Q199 PolarHBondContact O-N 3.44Å; Q199-E202 PolarHBondContact O-N 2.88Å; Q199-S203 WeakPolarHBondContact O-CB 3.47Å; Q199-S203 PolarHBondContact O-N 3.3Å
200Q88Confident81Confident116 Ų116110.8 Ų110.854%0.54253%0.534SS..Hα-helixtrans-64.7-48.8175-177.8171.3-1100111.2Q196 R197 V198 E202 S203 E204Q196-Q200 WeakPolarHBondContact O-CB 3.36Å; Q196-Q200 PolarHBondContact O-N 3.31Å; R197-Q200 PolarHBondContact O-N 2.8Å; V198-Q200 VanDerWaalsContact C-N 3.31Å; V198-Q200 PolarHBondContact O-N 3.13Å; Q200-E202 VanDerWaalsContact C-N 3.32Å; Q200-E202 PolarHBondContact O-N 2.94Å; Q200-S203 WeakPolarHBondContact O-CB 3.3Å; Q200-S203 PolarHBondContact O-N 3.36Å; Q200-S203 VanDerWaalsContact O-N 3.14Å; Q200-S203 PolarHBondContact O-OG 2.87Å; Q200-E204 PolarHBondContact O-N 3.44Å
201L90.3Very high83.5Confident105 Ų105115.8 Ų115.855%0.5555%0.546SS..Hα-helixtrans-62.4-36.1176.8-72.4169.4000112.2R197 V198 E204 L205R197-L201 WeakPolarHBondContact O-CB 3.39Å; R197-L201 VanDerWaalsContact O-CG 3.22Å; R197-L201 WeakPolarHBondContact O-CG 3.46Å; R197-L201 PolarHBondContact O-N 3.24Å; V198-L201 CarbonylContact O-C 3.51Å; V198-L201 PolarHBondContact O-N 2.77Å; L201-E204 PolarHBondContact O-N 3.38Å; L201-L205 VanDerWaalsContact O-CB 3.29Å; L201-L205 WeakPolarHBondContact O-CB 3.43Å; L201-L205 WeakPolarHBondContact O-CG 3.46Å; L201-L205 PolarHBondContact O-N 2.87Å
202E89.3Confident85.4Confident118 Ų118113.9 Ų113.955%0.55155%0.545SS*.Hα-helixtrans-65.4-41.3172-75.3177163.900111.8V198 Q199 Q200 E204 L205 S206V198-E202 HydrophobicContact CG1-CG 4.29Å; V198-E202 WeakPolarHBondContact O-CB 3.4Å; V198-E202 VanDerWaalsContact O-CG 3.31Å; V198-E202 WeakPolarHBondContact O-CG 3.35Å; V198-E202 PolarHBondContact O-N 2.73Å; Q199-E202 PolarHBondContact O-N 2.88Å; Q200-E202 VanDerWaalsContact C-N 3.32Å; Q200-E202 PolarHBondContact O-N 2.94Å; E202-E204 VanDerWaalsContact C-N 3.32Å; E202-E204 PolarHBondContact O-N 2.78Å; E202-L205 PolarHBondContact O-N 3.47Å; E202-S206 VanDerWaalsContact O-CB 3.23Å; E202-S206 WeakPolarHBondContact O-CB 3.46Å; E202-S206 PolarHBondContact O-N 3.44Å
203S88.9Confident87.3Confident47 Ų47115 Ų11533%0.32954%0.542SS..Hα-helixtrans-64.6-37.1175.291.40000111.9Q199 Q200 K207Q199-S203 WeakPolarHBondContact O-CB 3.47Å; Q199-S203 PolarHBondContact O-N 3.3Å; Q200-S203 WeakPolarHBondContact O-CB 3.3Å; Q200-S203 PolarHBondContact O-N 3.36Å; Q200-S203 VanDerWaalsContact O-N 3.14Å; Q200-S203 PolarHBondContact O-OG 2.87Å; S203-K207 WeakPolarHBondContact O-CD 3.41Å; S203-K207 VanDerWaalsContact O-CG 3.25Å; S203-K207 WeakPolarHBondContact O-CG 3.48Å; S203-K207 PolarHBondContact O-N 2.98Å
204E93.3Very high89Confident86 Ų86112.9 Ų112.940%0.40254%0.54SS..Hα-helixtrans-73.3-43.5176.1-73.6-170.6-161.400111.6Q200 L201 E202 S206 K207 K208Q200-E204 PolarHBondContact O-N 3.44Å; L201-E204 PolarHBondContact O-N 3.38Å; E202-E204 VanDerWaalsContact C-N 3.32Å; E202-E204 PolarHBondContact O-N 2.78Å; E204-S206 VanDerWaalsContact C-N 3.28Å; E204-S206 PolarHBondContact O-N 3.14Å; E204-K207 PolarHBondContact O-N 2.93Å; E204-K208 WeakPolarHBondContact O-CB 3.22Å; E204-K208 WeakPolarHBondContact O-CG 3.4Å; E204-K208 PolarHBondContact O-N 3.23Å
205L93.9Very high90.3Very high94 Ų94111.3 Ų111.349%0.49254%0.538SS..Hα-helixtrans-58.4-40.5170.9-86.4166.9000111.4L201 E202 K208 R209L201-L205 VanDerWaalsContact O-CB 3.29Å; L201-L205 WeakPolarHBondContact O-CB 3.43Å; L201-L205 WeakPolarHBondContact O-CG 3.46Å; L201-L205 PolarHBondContact O-N 2.87Å; E202-L205 PolarHBondContact O-N 3.47Å; L205-K208 PolarHBondContact O-N 3.45Å; L205-R209 WeakPolarHBondContact O-CB 3.48Å; L205-R209 WeakPolarHBondContact O-CG 3.37Å; L205-R209 PolarHBondContact O-N 3.01Å
206S92.1Very high91.3Very high56 Ų56110 Ų11039%0.39253%0.532SS..Hα-helixtrans-62.3-46.8175.1-178.10000111.8E202 E204 K208 R209 K210E202-S206 VanDerWaalsContact O-CB 3.23Å; E202-S206 WeakPolarHBondContact O-CB 3.46Å; E202-S206 PolarHBondContact O-N 3.44Å; E204-S206 VanDerWaalsContact C-N 3.28Å; E204-S206 PolarHBondContact O-N 3.14Å; S206-K208 PolarHBondContact O-N 3.47Å; S206-R209 PolarHBondContact O-N 2.81Å; S206-K210 WeakPolarHBondContact O-CG 3.44Å; S206-K210 PolarHBondContact O-N 2.81Å
207K95.3Very high92.2Very high138 Ų138108.5 Ų108.560%0.653%0.525SS*.Hα-helixtrans-61.8-41.7173.9-70160.5-173.3160.20112S203 E204 K211S203-K207 WeakPolarHBondContact O-CD 3.41Å; S203-K207 VanDerWaalsContact O-CG 3.25Å; S203-K207 WeakPolarHBondContact O-CG 3.48Å; S203-K207 PolarHBondContact O-N 2.98Å; E204-K207 PolarHBondContact O-N 2.93Å; K207-K211 WeakPolarHBondContact O-CB 3.21Å; K207-K211 PolarHBondContact O-N 3.19Å
208K95Very high92.8Very high136 Ų136105.1 Ų105.159%0.59152%0.516SS*.Hα-helixtrans-68.1-42.8178.4-67.4-80.9-178.7166.40111.4E204 L205 S206 K211 C212E204-K208 WeakPolarHBondContact O-CB 3.22Å; E204-K208 WeakPolarHBondContact O-CG 3.4Å; E204-K208 PolarHBondContact O-N 3.23Å; L205-K208 PolarHBondContact O-N 3.45Å; S206-K208 PolarHBondContact O-N 3.47Å; K208-K211 PolarHBondContact O-N 2.82Å; K208-C212 PolarHBondContact O-N 3.31Å; K208-C212 PolarHBondContact O-SG 3.41Å
209R94.9Very high93.4Very high171 Ų171104.1 Ų104.165%0.64552%0.515SS*.Hα-helixtrans-57.1-51.6173.4-75.5173.5-163.1-853.8111L205 S206 K211 C212 E213L205-R209 WeakPolarHBondContact O-CB 3.48Å; L205-R209 WeakPolarHBondContact O-CG 3.37Å; L205-R209 PolarHBondContact O-N 3.01Å; S206-R209 PolarHBondContact O-N 2.81Å; R209-K211 VanDerWaalsContact C-N 3.29Å; R209-K211 PolarHBondContact O-N 3.15Å; R209-C212 PolarHBondContact O-N 3.19Å; R209-C212 VanDerWaalsContact O-N 3.15Å; R209-E213 WeakPolarHBondContact O-CB 3.41Å; R209-E213 PolarHBondContact O-N 3.42Å
210K96.1Very high94Very high141 Ų141104.7 Ų104.761%0.61351%0.512SS*.Hα-helixtrans-59-37.7175.7-70.3-179.9-179.5-174.80112.8S206 S214S206-K210 WeakPolarHBondContact O-CG 3.44Å; S206-K210 PolarHBondContact O-N 2.81Å; K210-S214 WeakPolarHBondContact O-CB 3.05Å; K210-S214 PolarHBondContact O-N 3.33Å
211K95.9Very high94.5Very high139 Ų139105.2 Ų105.260%0.60451%0.512SS*.Hα-helixtrans-68.4-42175.1-171.8171-177.6174.60112.2K207 K208 R209 S214 L215K207-K211 WeakPolarHBondContact O-CB 3.21Å; K207-K211 PolarHBondContact O-N 3.19Å; K208-K211 PolarHBondContact O-N 2.82Å; R209-K211 VanDerWaalsContact C-N 3.29Å; R209-K211 PolarHBondContact O-N 3.15Å; K211-S214 PolarHBondContact O-N 3.11Å; K211-L215 HydrophobicContact CG-CD1 4.22Å; K211-L215 WeakPolarHBondContact O-CB 3.38Å; K211-L215 VanDerWaalsContact O-CG 3.3Å; K211-L215 WeakPolarHBondContact O-CG 3.43Å; K211-L215 PolarHBondContact O-N 2.85Å
212C92.3Very high94.8Very high81 Ų81106 Ų10655%0.54751%0.511SS..Hα-helixtrans-62.1-45.2174-690000111.2K208 R209 S214 L215 E216K208-C212 PolarHBondContact O-N 3.31Å; K208-C212 PolarHBondContact O-SG 3.41Å; R209-C212 PolarHBondContact O-N 3.19Å; R209-C212 VanDerWaalsContact O-N 3.15Å; C212-S214 PolarHBondContact O-N 3.23Å; C212-L215 CarbonylContact O-C 3.47Å; C212-L215 PolarHBondContact O-N 3.48Å; C212-L215 VanDerWaalsContact O-N 3.14Å; C212-E216 WeakPolarHBondContact O-CB 3.47Å; C212-E216 PolarHBondContact O-N 3Å
213E96Very high95.2Very high115 Ų115105.9 Ų105.954%0.53751%0.511SS..Hα-helixtrans-61-41.3177.5-171.6172.8-14600112R209 E216 Q217R209-E213 WeakPolarHBondContact O-CB 3.41Å; R209-E213 PolarHBondContact O-N 3.42Å; E213-E216 PolarHBondContact O-N 3.44Å; E213-Q217 WeakPolarHBondContact O-CG 3.35Å; E213-Q217 PolarHBondContact O-N 2.97Å
214S95.6Very high95.6Very high71 Ų71111 Ų11150%0.49752%0.523SS..Hα-helixtrans-64.8-40.5172.3-176.30000113K210 K211 C212 E216 Q217 E218K210-S214 WeakPolarHBondContact O-CB 3.05Å; K210-S214 PolarHBondContact O-N 3.33Å; K211-S214 PolarHBondContact O-N 3.11Å; C212-S214 PolarHBondContact O-N 3.23Å; S214-E216 VanDerWaalsContact C-N 3.33Å; S214-Q217 PolarHBondContact O-N 2.98Å; S214-E218 WeakPolarHBondContact O-CB 3.27Å; S214-E218 PolarHBondContact O-N 3.31Å
215L95.9Very high95.8Very high102 Ų102113 Ų11353%0.53453%0.527SS..Hα-helixtrans-70.8-30.8176.8-72.3171.2000111.9K211 C212 E218 A219K211-L215 HydrophobicContact CG-CD1 4.22Å; K211-L215 WeakPolarHBondContact O-CB 3.38Å; K211-L215 VanDerWaalsContact O-CG 3.3Å; K211-L215 WeakPolarHBondContact O-CG 3.43Å; K211-L215 PolarHBondContact O-N 2.85Å; C212-L215 CarbonylContact O-C 3.47Å; C212-L215 PolarHBondContact O-N 3.48Å; C212-L215 VanDerWaalsContact O-N 3.14Å; L215-E218 WeakPolarHBondContact O-CB 3.19Å; L215-E218 PolarHBondContact O-N 2.87Å; L215-A219 WeakPolarHBondContact O-CB 3.37Å; L215-A219 PolarHBondContact O-N 3.36Å
216E94.7Very high95.9Very high99 Ų99111.9 Ų111.946%0.46353%0.526SS..Hα-helixtrans-70.1-40.2174.1-166.1-177.1172.600111C212 E213 S214 A219 R220C212-E216 WeakPolarHBondContact O-CB 3.47Å; C212-E216 PolarHBondContact O-N 3Å; E213-E216 PolarHBondContact O-N 3.44Å; S214-E216 VanDerWaalsContact C-N 3.33Å; E216-A219 PolarHBondContact O-N 2.65Å; E216-R220 WeakPolarHBondContact O-CB 3.5Å; E216-R220 VanDerWaalsContact O-CG 3.22Å; E216-R220 WeakPolarHBondContact O-CG 3.36Å; E216-R220 PolarHBondContact O-N 3.38Å; E216-R220 IonicContact OE1-CZ 2.75Å; E216-R220 IonicContact OE1-NE 3.9Å; E216-R220 PolarHBondContact OE1-NE 3.31Å; E216-R220 IonicContact OE1-NH2 2.76Å; E216-R220 PolarHBondContact OE1-NH2 3.03Å
217Q96.6Very high96.1Very high107 Ų107113.8 Ų113.850%0.553%0.529SS..Hα-helixtrans-63.8-40.2171.1-70.5-179.322.400112.5E213 S214 R220 K221E213-Q217 WeakPolarHBondContact O-CG 3.35Å; E213-Q217 PolarHBondContact O-N 2.97Å; S214-Q217 PolarHBondContact O-N 2.98Å; Q217-R220 PolarHBondContact O-N 3.49Å; Q217-K221 VanDerWaalsContact O-CG 3.32Å; Q217-K221 WeakPolarHBondContact O-CG 3.4Å; Q217-K221 PolarHBondContact O-N 3.07Å
218E96.3Very high96.2Very high85 Ų85111.8 Ų111.840%0.39752%0.521SS..Hα-helixtrans-59.8-47.7172.7-178.479-166.100111S214 L215 K221 K222S214-E218 WeakPolarHBondContact O-CB 3.27Å; S214-E218 PolarHBondContact O-N 3.31Å; L215-E218 WeakPolarHBondContact O-CB 3.19Å; L215-E218 PolarHBondContact O-N 2.87Å; E218-K221 PolarHBondContact O-N 3.25Å; E218-K222 HydrophobicContact CG-CD 4.48Å; E218-K222 PolarHBondContact O-N 3.04Å; E218-K222 WeakPolarHBondContact OE1-CE 3.32Å; E218-K222 IonicContact OE1-NZ 3.88Å; E218-K222 PolarHBondContact OE1-NZ 2.8Å
219A96.6Very high96.4Very high54 Ų54109.2 Ų109.245%0.44651%0.514SS..Hα-helixtrans-61.4-46.7176.500000111.9L215 E216 K221 K222 Q223L215-A219 WeakPolarHBondContact O-CB 3.37Å; L215-A219 PolarHBondContact O-N 3.36Å; E216-A219 PolarHBondContact O-N 2.65Å; A219-K221 VanDerWaalsContact C-N 3.27Å; A219-K221 PolarHBondContact O-N 3.03Å; A219-K222 PolarHBondContact O-N 3.44Å; A219-Q223 WeakPolarHBondContact O-CB 3.48Å; A219-Q223 PolarHBondContact O-N 3.35Å
220R97Very high96.5Very high138 Ų138105.7 Ų105.752%0.52151%0.505SS..Hα-helixtrans-64.5-25175.8-69.4172-174.5-161.76113.6E216 Q217 R224E216-R220 WeakPolarHBondContact O-CB 3.5Å; E216-R220 VanDerWaalsContact O-CG 3.22Å; E216-R220 WeakPolarHBondContact O-CG 3.36Å; E216-R220 PolarHBondContact O-N 3.38Å; E216-R220 IonicContact OE1-CZ 2.75Å; E216-R220 IonicContact OE1-NE 3.9Å; E216-R220 PolarHBondContact OE1-NE 3.31Å; E216-R220 IonicContact OE1-NH2 2.76Å; E216-R220 PolarHBondContact OE1-NH2 3.03Å; Q217-R220 PolarHBondContact O-N 3.49Å; R220-R224 PolarHBondContact O-N 3.45Å; R220-R224 PolarHBondContact O-NE 2.84Å
221K97.6Very high96.5Very high126 Ų126104.5 Ų104.555%0.54851%0.505SS..Hα-helixtrans-75.4-46.5171-75.7171.3-176.7176.10110.9Q217 E218 A219 R224 R225Q217-K221 VanDerWaalsContact O-CG 3.32Å; Q217-K221 WeakPolarHBondContact O-CG 3.4Å; Q217-K221 PolarHBondContact O-N 3.07Å; E218-K221 PolarHBondContact O-N 3.25Å; A219-K221 VanDerWaalsContact C-N 3.27Å; A219-K221 PolarHBondContact O-N 3.03Å; K221-R224 PolarHBondContact O-N 3.43Å; K221-R225 PolarHBondContact O-N 2.86Å; K221-R225 VanDerWaalsContact O-N 3.07Å
222K96.9Very high96.6Very high122 Ų122102.5 Ų102.553%0.5350%0.497SS..Hα-helixtrans-63.2-42.5177.2-73.6175.2-178.5161.90111.9E218 A219 R225 C226E218-K222 HydrophobicContact CG-CD 4.48Å; E218-K222 PolarHBondContact O-N 3.04Å; E218-K222 WeakPolarHBondContact OE1-CE 3.32Å; E218-K222 IonicContact OE1-NZ 3.88Å; E218-K222 PolarHBondContact OE1-NZ 2.8Å; A219-K222 PolarHBondContact O-N 3.44Å; K222-R225 CarbonylContact O-C 3.6Å; K222-R225 WeakPolarHBondContact O-CA 3.22Å; K222-R225 WeakPolarHBondContact O-CB 3.38Å; K222-R225 PolarHBondContact O-N 3.48Å; K222-R225 VanDerWaalsContact O-N 3.11Å; K222-C226 PolarHBondContact O-N 2.8Å; K222-C226 PolarHBondContact O-SG 3.15Å
223Q97.5Very high96.9Very high116 Ų116103.5 Ų103.554%0.54250%0.496SS..Hα-helixtrans-58.2-50.6175.5177.8171.2-1300111.8A219 R225 C226 E227A219-Q223 WeakPolarHBondContact O-CB 3.48Å; A219-Q223 PolarHBondContact O-N 3.35Å; Q223-R225 PolarHBondContact O-N 3.26Å; Q223-C226 WeakPolarHBondContact O-CA 3.47Å; Q223-C226 WeakPolarHBondContact O-CB 3.48Å; Q223-C226 PolarHBondContact O-N 2.88Å; Q223-E227 HydrophobicContact CG-CG 4.41Å; Q223-E227 VanDerWaalsContact CG-OE1 3.25Å; Q223-E227 WeakPolarHBondContact CG-OE1 3.25Å; Q223-E227 PolarHBondContact NE2-OE1 2.98Å; Q223-E227 WeakPolarHBondContact O-CG 3.48Å; Q223-E227 PolarHBondContact O-N 3.41Å
224R97.9Very high96.9Very high155 Ų155104.7 Ų104.759%0.58550%0.496SS*.Hα-helixtrans-59.4-33.8175.2-78.6-179.1-72.4-174.5-0.3113R220 K221 E228R220-R224 PolarHBondContact O-N 3.45Å; R220-R224 PolarHBondContact O-NE 2.84Å; K221-R224 PolarHBondContact O-N 3.43Å; R224-E228 WeakPolarHBondContact O-CB 3.23Å; R224-E228 PolarHBondContact O-N 3.03Å
225R97.7Very high97Very high128 Ų128106.6 Ų106.648%0.48350%0.497SS..Hα-helixtrans-70.8-36.1174.2-172.955.2176.3178.42.8112.5K221 K222 Q223 E228 L229K221-R225 PolarHBondContact O-N 2.86Å; K221-R225 VanDerWaalsContact O-N 3.07Å; K222-R225 CarbonylContact O-C 3.6Å; K222-R225 WeakPolarHBondContact O-CA 3.22Å; K222-R225 WeakPolarHBondContact O-CB 3.38Å; K222-R225 PolarHBondContact O-N 3.48Å; K222-R225 VanDerWaalsContact O-N 3.11Å; Q223-R225 PolarHBondContact O-N 3.26Å; R225-E228 IonicContact CZ-OE2 3.83Å; R225-E228 IonicContact NH1-OE2 2.81Å; R225-E228 PolarHBondContact NH1-OE2 3.37Å; R225-L229 HydrophobicContact CG-CD1 4.19Å; R225-L229 WeakPolarHBondContact O-CB 3.44Å; R225-L229 VanDerWaalsContact O-CG 3.23Å; R225-L229 WeakPolarHBondContact O-CG 3.4Å; R225-L229 PolarHBondContact O-N 2.8Å
226C94.9Very high97.1Very high70 Ų70103.7 Ų103.747%0.47349%0.488SS..Hα-helixtrans-64.7-47.2171.2-64.30000111.2K222 Q223 E228 L229 E230K222-C226 PolarHBondContact O-N 2.8Å; K222-C226 PolarHBondContact O-SG 3.15Å; Q223-C226 WeakPolarHBondContact O-CA 3.47Å; Q223-C226 WeakPolarHBondContact O-CB 3.48Å; Q223-C226 PolarHBondContact O-N 2.88Å; C226-E228 VanDerWaalsContact C-N 3.3Å; C226-E228 PolarHBondContact O-N 3.5Å; C226-L229 PolarHBondContact O-N 3.47Å; C226-L229 VanDerWaalsContact O-N 3.15Å; C226-E230 WeakPolarHBondContact O-CB 3.42Å; C226-E230 WeakPolarHBondContact O-CG 3.41Å; C226-E230 PolarHBondContact O-N 2.87Å
227E97.6Very high97.2Very high96 Ų96104.1 Ų104.145%0.44949%0.49SS..Hα-helixtrans-57.9-40.5177.5-70.2163.6-179.800112Q223 L231Q223-E227 HydrophobicContact CG-CG 4.41Å; Q223-E227 VanDerWaalsContact CG-OE1 3.25Å; Q223-E227 WeakPolarHBondContact CG-OE1 3.25Å; Q223-E227 PolarHBondContact NE2-OE1 2.98Å; Q223-E227 WeakPolarHBondContact O-CG 3.48Å; Q223-E227 PolarHBondContact O-N 3.41Å; E227-L231 PolarHBondContact O-N 3.3Å
228E97.9Very high97.2Very high95 Ų95104.7 Ų104.744%0.44450%0.497SS..Hα-helixtrans-68.9-41.3174.8-174.4175.2-144.300112.8R224 R225 C226 L231 Q232R224-E228 WeakPolarHBondContact O-CB 3.23Å; R224-E228 PolarHBondContact O-N 3.03Å; R225-E228 IonicContact CZ-OE2 3.83Å; R225-E228 IonicContact NH1-OE2 2.81Å; R225-E228 PolarHBondContact NH1-OE2 3.37Å; C226-E228 VanDerWaalsContact C-N 3.3Å; C226-E228 PolarHBondContact O-N 3.5Å; E228-L231 PolarHBondContact O-N 3.07Å; E228-Q232 WeakPolarHBondContact O-CG 3.44Å; E228-Q232 PolarHBondContact O-N 3.33Å
229L97.6Very high97.3Very high82 Ų82105.1 Ų105.143%0.42950%0.498SS..Hα-helixtrans-67.6-35175.7-71.9170000112.2R225 C226 Q232 L233R225-L229 HydrophobicContact CG-CD1 4.19Å; R225-L229 WeakPolarHBondContact O-CB 3.44Å; R225-L229 VanDerWaalsContact O-CG 3.23Å; R225-L229 WeakPolarHBondContact O-CG 3.4Å; R225-L229 PolarHBondContact O-N 2.8Å; C226-L229 PolarHBondContact O-N 3.47Å; C226-L229 VanDerWaalsContact O-N 3.15Å; L229-Q232 PolarHBondContact O-N 3.26Å; L229-L233 WeakPolarHBondContact O-CB 3.27Å; L229-L233 PolarHBondContact O-N 3.47Å
230E96.8Very high97.2Very high98 Ų98107.3 Ų107.346%0.45850%0.503SS..Hα-helixtrans-64.8-38.7171.9-78.2-178.8-15300112C226 L233 R234C226-E230 WeakPolarHBondContact O-CB 3.42Å; C226-E230 WeakPolarHBondContact O-CG 3.41Å; C226-E230 PolarHBondContact O-N 2.87Å; E230-L233 PolarHBondContact O-N 3.47Å; E230-R234 WeakPolarHBondContact O-CG 3.39Å; E230-R234 PolarHBondContact O-N 2.96Å; E230-R234 IonicContact OE2-NH1 3.6Å
231L97.7Very high97.3Very high116 Ų116103.7 Ų103.761%0.60750%0.502SS*.Hα-helixtrans-65.8-43.9174.6-175.864000111.2E227 E228 R234 Q235E227-L231 PolarHBondContact O-N 3.3Å; E228-L231 PolarHBondContact O-N 3.07Å; L231-R234 PolarHBondContact O-N 3.02Å; L231-Q235 PolarHBondContact O-N 3.38Å
232Q97.6Very high97.3Very high96 Ų96104.9 Ų104.945%0.44950%0.503SS..Hα-helixtrans-62-41.8174.9-72.1177.7-1.800112E228 L229 Q235 A236E228-Q232 WeakPolarHBondContact O-CG 3.44Å; E228-Q232 PolarHBondContact O-N 3.33Å; L229-Q232 PolarHBondContact O-N 3.26Å; Q232-Q235 PolarHBondContact O-N 3.32Å; Q232-A236 WeakPolarHBondContact O-CB 3.12Å; Q232-A236 PolarHBondContact O-N 3.39Å
233L97.5Very high97.3Very high102 Ų102103.3 Ų103.353%0.53450%0.5SS..Hα-helixtrans-63.1-43.9175.4-178.861.9000111.8L229 E230 Q235 A236 Q237L229-L233 WeakPolarHBondContact O-CB 3.27Å; L229-L233 PolarHBondContact O-N 3.47Å; E230-L233 PolarHBondContact O-N 3.47Å; L233-Q235 VanDerWaalsContact C-N 3.35Å; L233-Q235 PolarHBondContact O-N 2.9Å; L233-A236 PolarHBondContact O-N 2.92Å; L233-Q237 WeakPolarHBondContact O-CB 3.38Å; L233-Q237 VanDerWaalsContact O-CG 3.27Å; L233-Q237 WeakPolarHBondContact O-CG 3.41Å; L233-Q237 PolarHBondContact O-N 2.9Å
234R97.3Very high97.3Very high140 Ų140102.7 Ų102.753%0.52850%0.504SS..Hα-helixtrans-62.9-39.6174.7-76.9-177179.1107.61112.3E230 L231 Q237 N238E230-R234 WeakPolarHBondContact O-CG 3.39Å; E230-R234 PolarHBondContact O-N 2.96Å; E230-R234 IonicContact OE2-NH1 3.6Å; L231-R234 PolarHBondContact O-N 3.02Å; R234-Q237 PolarHBondContact O-N 3.46Å; R234-N238 VanDerWaalsContact O-CG 3.31Å; R234-N238 PolarHBondContact O-N 2.93Å; R234-N238 PolarHBondContact O-ND2 3.16Å
235Q97.8Very high97.3Very high111 Ų111102.3 Ų102.352%0.51951%0.509SS..Hα-helixtrans-63.5-47.6175.5-176.8176.4-18.200111L231 Q232 L233 Q237 N238 E239L231-Q235 PolarHBondContact O-N 3.38Å; Q232-Q235 PolarHBondContact O-N 3.32Å; L233-Q235 VanDerWaalsContact C-N 3.35Å; L233-Q235 PolarHBondContact O-N 2.9Å; Q235-Q237 VanDerWaalsContact C-N 3.3Å; Q235-Q237 PolarHBondContact O-N 2.91Å; Q235-N238 PolarHBondContact O-N 3.33Å; Q235-N238 VanDerWaalsContact O-N 3.16Å; Q235-E239 WeakPolarHBondContact CG-OE1 3.46Å; Q235-E239 PolarHBondContact NE2-OE1 2.92Å; Q235-E239 WeakPolarHBondContact O-CG 3.21Å; Q235-E239 PolarHBondContact O-N 3.01Å
236A97.1Very high97.3Very high41 Ų4199.4 Ų99.434%0.33950%0.501SS..Hα-helixtrans-61.8-35.8176.100000112.7Q232 L233 N240Q232-A236 WeakPolarHBondContact O-CB 3.12Å; Q232-A236 PolarHBondContact O-N 3.39Å; L233-A236 PolarHBondContact O-N 2.92Å; A236-N240 VanDerWaalsContact O-CB 3.31Å; A236-N240 WeakPolarHBondContact O-CB 3.24Å; A236-N240 PolarHBondContact O-N 2.89Å; A236-N240 PolarHBondContact O-ND2 2.8Å
237Q97.1Very high97.4Very high109 Ų109101.3 Ų101.351%0.50951%0.506SS..Hα-helixtrans-63.5-44.2172.7-76.8171.3-17.300112.1L233 R234 Q235 N240 A241L233-Q237 WeakPolarHBondContact O-CB 3.38Å; L233-Q237 VanDerWaalsContact O-CG 3.27Å; L233-Q237 WeakPolarHBondContact O-CG 3.41Å; L233-Q237 PolarHBondContact O-N 2.9Å; R234-Q237 PolarHBondContact O-N 3.46Å; Q235-Q237 VanDerWaalsContact C-N 3.3Å; Q235-Q237 PolarHBondContact O-N 2.91Å; Q237-N240 PolarHBondContact O-N 2.85Å; Q237-A241 WeakPolarHBondContact O-CB 3.31Å; Q237-A241 PolarHBondContact O-N 3.37Å
238N97.1Very high97.4Very high119 Ų119100.8 Ų100.864%0.63651%0.513SS*.Hα-helixtrans-66.9-39.4177-69.9-19.2000112.3R234 Q235 A241 R242R234-N238 VanDerWaalsContact O-CG 3.31Å; R234-N238 PolarHBondContact O-N 2.93Å; R234-N238 PolarHBondContact O-ND2 3.16Å; Q235-N238 PolarHBondContact O-N 3.33Å; Q235-N238 VanDerWaalsContact O-N 3.16Å; N238-A241 PolarHBondContact O-N 3.29Å; N238-R242 PolarHBondContact O-N 2.78Å
239E97.8Very high97.4Very high93 Ų93103.3 Ų103.344%0.43552%0.519SS..Hα-helixtrans-65.7-43.6175.6-73.1173.6-167.500111.3Q235 A241 R242 L243Q235-E239 WeakPolarHBondContact CG-OE1 3.46Å; Q235-E239 PolarHBondContact NE2-OE1 2.92Å; Q235-E239 WeakPolarHBondContact O-CG 3.21Å; Q235-E239 PolarHBondContact O-N 3.01Å; E239-A241 PolarHBondContact O-N 2.9Å; E239-R242 PolarHBondContact O-N 2.86Å; E239-L243 WeakPolarHBondContact O-CG 3.45Å; E239-L243 PolarHBondContact O-N 2.83Å
240N95.4Very high97.4Very high101 Ų101103.4 Ų103.454%0.5452%0.519SS..Hα-helixtrans-61.2-41.9172.6-80.5-20.3000112.5A236 Q237 R242 L243 V244A236-N240 VanDerWaalsContact O-CB 3.31Å; A236-N240 WeakPolarHBondContact O-CB 3.24Å; A236-N240 PolarHBondContact O-N 2.89Å; A236-N240 PolarHBondContact O-ND2 2.8Å; Q237-N240 PolarHBondContact O-N 2.85Å; N240-R242 VanDerWaalsContact C-N 3.34Å; N240-R242 PolarHBondContact O-N 3.03Å; N240-L243 PolarHBondContact O-N 2.96Å; N240-V244 WeakPolarHBondContact O-CG2 3.44Å; N240-V244 PolarHBondContact O-N 3.41Å
241A97.8Very high97.3Very high61 Ų61102.1 Ų102.150%0.50452%0.521SS..Hα-helixtrans-60.5-43.9176.800000111.6Q237 N238 E239 L243 V244 E245Q237-A241 WeakPolarHBondContact O-CB 3.31Å; Q237-A241 PolarHBondContact O-N 3.37Å; N238-A241 PolarHBondContact O-N 3.29Å; E239-A241 PolarHBondContact O-N 2.9Å; A241-L243 PolarHBondContact O-N 3.48Å; A241-V244 PolarHBondContact O-N 3.04Å; A241-E245 PolarHBondContact O-N 3.09Å; A241-E245 VanDerWaalsContact O-N 3.11Å
242R97.9Very high97.3Very high151 Ų15198.4 Ų98.457%0.5751%0.51SS*.Hα-helixtrans-63-41175.1-161.1-163.883.6-1573.9112.2N238 E239 N240 E245 E246N238-R242 PolarHBondContact O-N 2.78Å; E239-R242 PolarHBondContact O-N 2.86Å; N240-R242 VanDerWaalsContact C-N 3.34Å; N240-R242 PolarHBondContact O-N 3.03Å; R242-E245 PolarHBondContact O-N 3.19Å; R242-E246 WeakPolarHBondContact O-CB 3.5Å; R242-E246 PolarHBondContact O-N 2.8Å
243L97.5Very high97.3Very high89 Ų89101.3 Ų101.347%0.46652%0.517SS..Hα-helixtrans-66.8-36177.6-72.7172.1000112.1E239 N240 A241 E246 N247E239-L243 WeakPolarHBondContact O-CG 3.45Å; E239-L243 PolarHBondContact O-N 2.83Å; N240-L243 PolarHBondContact O-N 2.96Å; A241-L243 PolarHBondContact O-N 3.48Å; L243-E246 PolarHBondContact O-N 3.09Å; L243-N247 WeakPolarHBondContact O-CB 3.37Å; L243-N247 PolarHBondContact O-N 2.67Å
244V97.9Very high97.3Very high103 Ų10398.6 Ų98.662%0.62451%0.51SS*.Hα-helixtrans-65.3-43.2174.3169.60000111.3N240 A241 N247 S248N240-V244 WeakPolarHBondContact O-CG2 3.44Å; N240-V244 PolarHBondContact O-N 3.41Å; A241-V244 PolarHBondContact O-N 3.04Å; V244-N247 PolarHBondContact O-N 3.26Å; V244-S248 WeakPolarHBondContact O-CB 3.35Å; V244-S248 PolarHBondContact O-N 3.32Å
245E97.4Very high97.3Very high148 Ų14895.7 Ų95.769%0.69251%0.507SS*.Hα-helixtrans-64.1-43175.4-172.7177.8-165.400111.8A241 R242 S248 R249A241-E245 PolarHBondContact O-N 3.09Å; A241-E245 VanDerWaalsContact O-N 3.11Å; R242-E245 PolarHBondContact O-N 3.19Å; E245-S248 PolarHBondContact O-N 3.49Å; E245-R249 WeakPolarHBondContact O-CB 3.42Å; E245-R249 PolarHBondContact O-N 3.43Å
246E97.6Very high97.2Very high67 Ų6796.3 Ų96.331%0.31351%0.51SS..Hα-helixtrans-64.8-39.7175.5179.7151.9-133.500112.4R242 L243 R249 L250R242-E246 WeakPolarHBondContact O-CB 3.5Å; R242-E246 PolarHBondContact O-N 2.8Å; L243-E246 PolarHBondContact O-N 3.09Å; E246-R249 PolarHBondContact O-N 2.88Å; E246-R249 IonicContact OE1-NH2 3.48Å; E246-R249 PolarHBondContact OE1-NH2 2.96Å; E246-L250 HydrophobicContact CG-CD1 4.12Å; E246-L250 WeakPolarHBondContact O-CB 3.49Å; E246-L250 VanDerWaalsContact O-CG 3.29Å; E246-L250 WeakPolarHBondContact O-CG 3.32Å; E246-L250 PolarHBondContact O-N 3.11Å
247N96.2Very high97.3Very high109 Ų109100 Ų10058%0.58352%0.519SS*.Hα-helixtrans-68.7-39.8177.3-160.6-1.3000111.5L243 V244 R249 L250 S251L243-N247 WeakPolarHBondContact O-CB 3.37Å; L243-N247 PolarHBondContact O-N 2.67Å; V244-N247 PolarHBondContact O-N 3.26Å; N247-R249 PolarHBondContact O-N 3.43Å; N247-L250 PolarHBondContact O-N 3.38Å; N247-S251 WeakPolarHBondContact O-CB 3.32Å; N247-S251 PolarHBondContact O-N 3.47Å
248S97.8Very high97.3Very high85 Ų85100.7 Ų100.759%0.59452%0.522SS*.Hα-helixtrans-58-46.9170.6-179.30000111.7V244 E245 L250 S251 G252V244-S248 WeakPolarHBondContact O-CB 3.35Å; V244-S248 PolarHBondContact O-N 3.32Å; E245-S248 PolarHBondContact O-N 3.49Å; S248-L250 PolarHBondContact O-N 3.32Å; S248-S251 WeakPolarHBondContact O-CB 3.14Å; S248-S251 PolarHBondContact O-N 3.49Å; S248-G252 PolarHBondContact O-N 3.4Å
249R97.9Very high97.3Very high149 Ų149100.5 Ų100.556%0.56252%0.517SS*.Hα-helixtrans-62.4-39.7175.2-175.7-174.265.4161.7-3.2112.7E245 E246 N247 R253E245-R249 WeakPolarHBondContact O-CB 3.42Å; E245-R249 PolarHBondContact O-N 3.43Å; E246-R249 PolarHBondContact O-N 2.88Å; E246-R249 IonicContact OE1-NH2 3.48Å; E246-R249 PolarHBondContact OE1-NH2 2.96Å; N247-R249 PolarHBondContact O-N 3.43Å; R249-R253 WeakPolarHBondContact O-CG 3.36Å; R249-R253 PolarHBondContact O-N 2.91Å
250L97.4Very high97.3Very high84 Ų84100 Ų10044%0.4452%0.521SS..Hα-helixtrans-69.2-38.8176.7-72.8170.9000111.6E246 N247 S248 R253 A254E246-L250 HydrophobicContact CG-CD1 4.12Å; E246-L250 WeakPolarHBondContact O-CB 3.49Å; E246-L250 VanDerWaalsContact O-CG 3.29Å; E246-L250 WeakPolarHBondContact O-CG 3.32Å; E246-L250 PolarHBondContact O-N 3.11Å; N247-L250 PolarHBondContact O-N 3.38Å; S248-L250 PolarHBondContact O-N 3.32Å; L250-R253 PolarHBondContact O-N 2.9Å; L250-A254 PolarHBondContact O-N 2.84Å
251S96.4Very high97.4Very high70 Ų7099.3 Ų99.349%0.4951%0.514SS..Hα-helixtrans-60.8-45.2174-168.20000111.6N247 S248 R253 A254 T255N247-S251 WeakPolarHBondContact O-CB 3.32Å; N247-S251 PolarHBondContact O-N 3.47Å; S248-S251 WeakPolarHBondContact O-CB 3.14Å; S248-S251 PolarHBondContact O-N 3.49Å; S251-R253 VanDerWaalsContact C-N 3.31Å; S251-R253 PolarHBondContact O-N 3.24Å; S251-A254 WeakPolarHBondContact O-CB 3.34Å; S251-A254 PolarHBondContact O-N 3.46Å; S251-A254 VanDerWaalsContact O-N 3.13Å; S251-T255 PolarHBondContact O-N 2.96Å; S251-T255 PolarHBondContact O-OG1 3.07Å
252G97.6Very high97.4Very high38 Ų38104.3 Ų104.339%0.39252%0.52SS..Hα-helixtrans-62.5-36.7175.900000113.2S248 T255 E256S248-G252 PolarHBondContact O-N 3.4Å; G252-T255 WeakPolarHBondContact CA-OG1 3.31Å; G252-T255 PolarHBondContact O-OG1 3.29Å; G252-E256 WeakPolarHBondContact O-CB 3.17Å; G252-E256 PolarHBondContact O-N 2.9Å
253R97.4Very high97.4Very high158 Ų158101 Ų10160%0.59651%0.511SS*.Hα-helixtrans-71.7-27.5173.6-71-176.369.7-149.8-2.7113.4R249 L250 S251 K257R249-R253 WeakPolarHBondContact O-CG 3.36Å; R249-R253 PolarHBondContact O-N 2.91Å; L250-R253 PolarHBondContact O-N 2.9Å; S251-R253 VanDerWaalsContact C-N 3.31Å; S251-R253 PolarHBondContact O-N 3.24Å; R253-K257 WeakPolarHBondContact O-CB 3.32Å; R253-K257 PolarHBondContact O-N 3.06Å; R253-K257 VanDerWaalsContact O-N 3.11Å
254A96.3Very high97.4Very high45 Ų45100.4 Ų100.437%0.37251%0.508SS..Hα-helixtrans-69.4-46.8173.200000110.5L250 S251 E256 K257 E258L250-A254 PolarHBondContact O-N 2.84Å; S251-A254 WeakPolarHBondContact O-CB 3.34Å; S251-A254 PolarHBondContact O-N 3.46Å; S251-A254 VanDerWaalsContact O-N 3.13Å; A254-E256 PolarHBondContact O-N 3Å; A254-K257 WeakPolarHBondContact O-CB 3.39Å; A254-K257 PolarHBondContact O-N 3.46Å; A254-K257 VanDerWaalsContact O-N 3.16Å; A254-E258 WeakPolarHBondContact O-CG 3.29Å; A254-E258 PolarHBondContact O-N 3.07Å
255T96.9Very high97.4Very high78 Ų7898.3 Ų98.348%0.47950%0.502SS..Hα-helixtrans-64.8-36.8176.451.80000112.9S251 G252 K257 E258 Q259S251-T255 PolarHBondContact O-N 2.96Å; S251-T255 PolarHBondContact O-OG1 3.07Å; G252-T255 WeakPolarHBondContact CA-OG1 3.31Å; G252-T255 PolarHBondContact O-OG1 3.29Å; T255-K257 VanDerWaalsContact C-N 3.34Å; T255-E258 PolarHBondContact O-N 3.22Å; T255-Q259 PolarHBondContact O-N 3.4Å
256E97.5Very high97.4Very high125 Ų12595.4 Ų95.458%0.58449%0.488SS*.Hα-helixtrans-63.5-39.8173.2-176.2-179.9-15100111.4G252 A254 V260G252-E256 WeakPolarHBondContact O-CB 3.17Å; G252-E256 PolarHBondContact O-N 2.9Å; A254-E256 PolarHBondContact O-N 3Å; E256-V260 WeakPolarHBondContact O-CG2 3.39Å; E256-V260 PolarHBondContact O-N 2.86Å; E256-V260 VanDerWaalsContact O-N 3.13Å
257K97.2Very high97.5Very high117 Ų11797.3 Ų97.351%0.50950%0.5SS..Hα-helixtrans-65.2-46.1174.1178.4179.5174.7-78.80111.9R253 A254 T255 Q259 V260 E261R253-K257 WeakPolarHBondContact O-CB 3.32Å; R253-K257 PolarHBondContact O-N 3.06Å; R253-K257 VanDerWaalsContact O-N 3.11Å; A254-K257 WeakPolarHBondContact O-CB 3.39Å; A254-K257 PolarHBondContact O-N 3.46Å; A254-K257 VanDerWaalsContact O-N 3.16Å; T255-K257 VanDerWaalsContact C-N 3.34Å; K257-Q259 VanDerWaalsContact C-N 3.31Å; K257-Q259 PolarHBondContact O-N 2.88Å; K257-V260 PolarHBondContact O-N 3.29Å; K257-E261 VanDerWaalsContact CE-OE1 3.28Å; K257-E261 WeakPolarHBondContact CE-OE1 3.27Å; K257-E261 HydrophobicContact CG-CG 4.41Å; K257-E261 IonicContact NZ-OE1 2.68Å; K257-E261 PolarHBondContact NZ-OE1 3.38Å; K257-E261 IonicContact NZ-OE2 3.67Å; K257-E261 PolarHBondContact NZ-OE2 3.44Å; K257-E261 WeakPolarHBondContact O-CG 3.48Å; K257-E261 PolarHBondContact O-N 3.37Å
258E97.4Very high97.5Very high125 Ų12599.4 Ų99.458%0.58450%0.5SS*.Hα-helixtrans-60.2-40.3177.9-74.1171.1-178.900111.8A254 T255 E261 W262A254-E258 WeakPolarHBondContact O-CG 3.29Å; A254-E258 PolarHBondContact O-N 3.07Å; T255-E258 PolarHBondContact O-N 3.22Å; E258-E261 PolarHBondContact O-N 2.91Å; E258-W262 PolarHBondContact O-N 2.66Å
259Q98.2Very high97.5Very high114 Ų11497.4 Ų97.453%0.53349%0.493SS..Hα-helixtrans-60.9-48.9173.7-179.1-179.7-18.400111.6T255 K257 E261 W262 E263T255-Q259 PolarHBondContact O-N 3.4Å; K257-Q259 VanDerWaalsContact C-N 3.31Å; K257-Q259 PolarHBondContact O-N 2.88Å; Q259-E261 VanDerWaalsContact C-N 3.29Å; Q259-E261 PolarHBondContact O-N 3.22Å; Q259-W262 PolarHBondContact O-N 2.79Å; Q259-E263 WeakPolarHBondContact CG-OE1 3.26Å; Q259-E263 PolarHBondContact NE2-OE1 3.42Å; Q259-E263 WeakPolarHBondContact O-CG 3.3Å; Q259-E263 PolarHBondContact O-N 2.69Å
260V97.9Very high97.6Very high84 Ų8495.2 Ų95.251%0.50949%0.489SS..Hα-helixtrans-64.8-33.8178.7172.70000111.7E256 K257 N264E256-V260 WeakPolarHBondContact O-CG2 3.39Å; E256-V260 PolarHBondContact O-N 2.86Å; E256-V260 VanDerWaalsContact O-N 3.13Å; K257-V260 PolarHBondContact O-N 3.29Å; V260-N264 VanDerWaalsContact O-CB 3.29Å; V260-N264 WeakPolarHBondContact O-CB 3.05Å; V260-N264 PolarHBondContact O-N 2.81Å
261E96.9Very high97.6Very high86 Ų8696.7 Ų96.740%0.40250%0.497SS..Hα-helixtrans-66.6-39.3173.9-76178.1146.600112K257 E258 Q259 N264 A265K257-E261 VanDerWaalsContact CE-OE1 3.28Å; K257-E261 WeakPolarHBondContact CE-OE1 3.27Å; K257-E261 HydrophobicContact CG-CG 4.41Å; K257-E261 IonicContact NZ-OE1 2.68Å; K257-E261 PolarHBondContact NZ-OE1 3.38Å; K257-E261 IonicContact NZ-OE2 3.67Å; K257-E261 PolarHBondContact NZ-OE2 3.44Å; K257-E261 WeakPolarHBondContact O-CG 3.48Å; K257-E261 PolarHBondContact O-N 3.37Å; E258-E261 PolarHBondContact O-N 2.91Å; Q259-E261 VanDerWaalsContact C-N 3.29Å; Q259-E261 PolarHBondContact O-N 3.22Å; E261-N264 PolarHBondContact O-N 3.46Å; E261-A265 WeakPolarHBondContact O-CB 3.45Å; E261-A265 PolarHBondContact O-N 3.16Å
262W97.3Very high97.7Very high166 Ų16699.3 Ų99.363%0.62950%0.504SS*.Hα-helixtrans-65.6-46.2172.5-179.182.3000112.3E258 Q259 N264 A265 E266E258-W262 PolarHBondContact O-N 2.66Å; Q259-W262 PolarHBondContact O-N 2.79Å; W262-N264 VanDerWaalsContact C-N 3.28Å; W262-N264 PolarHBondContact O-N 2.99Å; W262-A265 PolarHBondContact O-N 2.95Å; W262-E266 PolarHBondContact O-N 3.23Å
263E97.8Very high97.7Very high82 Ų8298.8 Ų98.838%0.38350%0.499SS..Hα-helixtrans-61.3-36.3175.5-70.5175-16700111.7Q259 L267Q259-E263 WeakPolarHBondContact CG-OE1 3.26Å; Q259-E263 PolarHBondContact NE2-OE1 3.42Å; Q259-E263 WeakPolarHBondContact O-CG 3.3Å; Q259-E263 PolarHBondContact O-N 2.69Å; E263-L267 WeakPolarHBondContact O-CB 3.34Å; E263-L267 VanDerWaalsContact O-CG 3.27Å; E263-L267 WeakPolarHBondContact O-CG 3.29Å; E263-L267 PolarHBondContact O-N 2.89Å
264N97.8Very high97.7Very high75 Ų7595.5 Ų95.540%0.40150%0.496SS..Hα-helixtrans-69.1-39.3175.3-155.7-86.9000112V260 E261 W262 R268V260-N264 VanDerWaalsContact O-CB 3.29Å; V260-N264 WeakPolarHBondContact O-CB 3.05Å; V260-N264 PolarHBondContact O-N 2.81Å; E261-N264 PolarHBondContact O-N 3.46Å; W262-N264 VanDerWaalsContact C-N 3.28Å; W262-N264 PolarHBondContact O-N 2.99Å; N264-R268 WeakPolarHBondContact O-CB 3.24Å; N264-R268 VanDerWaalsContact O-CG 3.23Å; N264-R268 WeakPolarHBondContact O-CG 3.36Å; N264-R268 PolarHBondContact O-N 2.83Å; N264-R268 PolarHBondContact OD1-NE 2.76Å
265A97.8Very high97.8Very high60 Ų6095.3 Ų95.350%0.49649%0.491SS..Hα-helixtrans-64.5-43.5175.700000111.8E261 W262 R268 G269E261-A265 WeakPolarHBondContact O-CB 3.45Å; E261-A265 PolarHBondContact O-N 3.16Å; W262-A265 PolarHBondContact O-N 2.95Å; A265-R268 WeakPolarHBondContact O-CB 3.24Å; A265-R268 PolarHBondContact O-N 2.96Å; A265-G269 PolarHBondContact O-N 3.15Å
266E98.3Very high97.8Very high87 Ų8798.4 Ų98.441%0.40750%0.499SS..Hα-helixtrans-61.2-47.8174.9178.456.3-148.700111.5W262 R268 G269 Q270W262-E266 PolarHBondContact O-N 3.23Å; E266-R268 VanDerWaalsContact C-N 3.31Å; E266-R268 PolarHBondContact O-N 2.82Å; E266-G269 PolarHBondContact O-N 3.21Å; E266-G269 VanDerWaalsContact O-N 3.11Å; E266-Q270 WeakPolarHBondContact O-CG 3.3Å; E266-Q270 PolarHBondContact O-N 2.79Å; E266-Q270 PolarHBondContact OE1-NE2 3.25Å
267L98.4Very high97.8Very high107 Ų10799 Ų9956%0.5650%0.503SS*.Hα-helixtrans-62.9-34.3176.2-73.3171.2000113.1E263 L271E263-L267 WeakPolarHBondContact O-CB 3.34Å; E263-L267 VanDerWaalsContact O-CG 3.27Å; E263-L267 WeakPolarHBondContact O-CG 3.29Å; E263-L267 PolarHBondContact O-N 2.89Å; L267-L271 VanDerWaalsContact O-CB 3.32Å; L267-L271 WeakPolarHBondContact O-CB 3.39Å; L267-L271 PolarHBondContact O-N 3.19Å
268R97.9Very high97.9Very high153 Ų153100 Ų10058%0.57750%0.503SS*.Hα-helixtrans-65.6-41.5171.9-75.3168.8-176.8-116.8-0.3111.6N264 A265 E266 L271 L272N264-R268 WeakPolarHBondContact O-CB 3.24Å; N264-R268 VanDerWaalsContact O-CG 3.23Å; N264-R268 WeakPolarHBondContact O-CG 3.36Å; N264-R268 PolarHBondContact O-N 2.83Å; N264-R268 PolarHBondContact OD1-NE 2.76Å; A265-R268 WeakPolarHBondContact O-CB 3.24Å; A265-R268 PolarHBondContact O-N 2.96Å; E266-R268 VanDerWaalsContact C-N 3.31Å; E266-R268 PolarHBondContact O-N 2.82Å; R268-L271 PolarHBondContact O-N 3.49Å; R268-L272 WeakPolarHBondContact O-CB 3.46Å; R268-L272 PolarHBondContact O-N 2.79Å
269G98.2Very high97.9Very high43 Ų4396.8 Ų96.844%0.44349%0.49SS..Hα-helixtrans-60.4-47174.500000112.3A265 E266 L272 G273A265-G269 PolarHBondContact O-N 3.15Å; E266-G269 PolarHBondContact O-N 3.21Å; E266-G269 VanDerWaalsContact O-N 3.11Å; G269-L272 PolarHBondContact O-N 3.28Å; G269-G273 PolarHBondContact O-N 3.44Å
270Q98.3Very high97.9Very high103 Ų10393.2 Ų93.248%0.48148%0.478SS..Hα-helixtrans-63.2-42.1175.8-6717821.600112.3E266 L272 G273 V274E266-Q270 WeakPolarHBondContact O-CG 3.3Å; E266-Q270 PolarHBondContact O-N 2.79Å; E266-Q270 PolarHBondContact OE1-NE2 3.25Å; Q270-L272 VanDerWaalsContact C-N 3.33Å; Q270-L272 PolarHBondContact O-N 3.19Å; Q270-G273 PolarHBondContact O-N 2.77Å; Q270-V274 WeakPolarHBondContact O-CG2 3.18Å; Q270-V274 PolarHBondContact O-N 3.42Å
271L97.9Very high97.9Very high115 Ų11591.9 Ų91.960%0.60248%0.475SS*.Hα-helixtrans-62.1-40.2175.618062.1000112L267 R268 T275L267-L271 VanDerWaalsContact O-CB 3.32Å; L267-L271 WeakPolarHBondContact O-CB 3.39Å; L267-L271 PolarHBondContact O-N 3.19Å; R268-L271 PolarHBondContact O-N 3.49Å; L271-T275 VanDerWaalsContact O-CB 3.31Å; L271-T275 WeakPolarHBondContact O-CB 3.38Å; L271-T275 PolarHBondContact O-N 2.94Å; L271-T275 PolarHBondContact O-OG1 3.03Å
272L98.4Very high97.9Very high124 Ų12492 Ų9265%0.64948%0.478SS*.Hα-helixtrans-63.6-44.9176-176.265.3000111.3R268 G269 Q270 T275 Q276R268-L272 WeakPolarHBondContact O-CB 3.46Å; R268-L272 PolarHBondContact O-N 2.79Å; G269-L272 PolarHBondContact O-N 3.28Å; Q270-L272 VanDerWaalsContact C-N 3.33Å; Q270-L272 PolarHBondContact O-N 3.19Å; L272-T275 WeakPolarHBondContact O-CB 3.26Å; L272-T275 PolarHBondContact O-N 3.31Å; L272-Q276 PolarHBondContact O-N 2.81Å
273G97.7Very high98Very high27 Ų2791.9 Ų91.928%0.27848%0.478SS..Hα-helixtrans-58.4-51.3175.200000112.7G269 Q270 T275 Q276 E277G269-G273 PolarHBondContact O-N 3.44Å; Q270-G273 PolarHBondContact O-N 2.77Å; G273-T275 VanDerWaalsContact C-N 3.25Å; G273-T275 PolarHBondContact O-N 3.2Å; G273-Q276 WeakPolarHBondContact O-CB 3.39Å; G273-Q276 PolarHBondContact O-N 3.07Å; G273-Q276 VanDerWaalsContact O-N 3.13Å; G273-E277 PolarHBondContact O-N 3.33Å
274V98.1Very high98Very high90 Ų9095 Ų9555%0.54549%0.49SS..Hα-helixtrans-61.5-33.9176.9173.40000112Q270 R278Q270-V274 WeakPolarHBondContact O-CG2 3.18Å; Q270-V274 PolarHBondContact O-N 3.42Å; V274-R278 WeakPolarHBondContact O-CB 3.24Å; V274-R278 PolarHBondContact O-N 2.83Å
275T97.1Very high98Very high41 Ų4194.7 Ų94.725%0.25249%0.494SS..Hα-helixtrans-67.9-43.5174.9-58.10000111.2L271 L272 G273 E277 R278 D279L271-T275 VanDerWaalsContact O-CB 3.31Å; L271-T275 WeakPolarHBondContact O-CB 3.38Å; L271-T275 PolarHBondContact O-N 2.94Å; L271-T275 PolarHBondContact O-OG1 3.03Å; L272-T275 WeakPolarHBondContact O-CB 3.26Å; L272-T275 PolarHBondContact O-N 3.31Å; G273-T275 VanDerWaalsContact C-N 3.25Å; G273-T275 PolarHBondContact O-N 3.2Å; T275-E277 PolarHBondContact O-N 3Å; T275-R278 WeakPolarHBondContact O-CB 3.48Å; T275-R278 PolarHBondContact O-N 3.19Å; T275-D279 VanDerWaalsContact O-CG 3.24Å; T275-D279 PolarHBondContact O-N 2.95Å
276Q98.4Very high98Very high142 Ų14297.5 Ų97.566%0.66450%0.497SS*.Hα-helixtrans-63.8-39.6175.5-169.7-177.13800112.1L272 G273 D279 S280L272-Q276 PolarHBondContact O-N 2.81Å; G273-Q276 WeakPolarHBondContact O-CB 3.39Å; G273-Q276 PolarHBondContact O-N 3.07Å; G273-Q276 VanDerWaalsContact O-N 3.13Å; Q276-D279 PolarHBondContact O-N 3.45Å; Q276-S280 VanDerWaalsContact O-CB 3.28Å; Q276-S280 WeakPolarHBondContact O-CB 3.45Å; Q276-S280 PolarHBondContact O-N 2.83Å
277E97.4Very high98Very high139 Ų13995 Ų9565%0.6550%0.495SS*.Hα-helixtrans-62.6-46.3173.7-74.3-179.2-178.800111.7G273 T275 D279 S280 A281G273-E277 PolarHBondContact O-N 3.33Å; T275-E277 PolarHBondContact O-N 3Å; E277-D279 VanDerWaalsContact C-N 3.32Å; E277-D279 PolarHBondContact O-N 2.97Å; E277-S280 PolarHBondContact O-N 3.04Å; E277-A281 WeakPolarHBondContact O-CB 3.16Å; E277-A281 PolarHBondContact O-N 3.1Å
278R97.9Very high97.9Very high137 Ų13795.5 Ų95.552%0.51750%0.497SS..Hα-helixtrans-55.4-47173.3-178.9-158.471.3-164.3-2.7111.2V274 T275 A281 L282V274-R278 WeakPolarHBondContact O-CB 3.24Å; V274-R278 PolarHBondContact O-N 2.83Å; T275-R278 WeakPolarHBondContact O-CB 3.48Å; T275-R278 PolarHBondContact O-N 3.19Å; R278-A281 PolarHBondContact O-N 3.37Å; R278-L282 HydrophobicContact CG-CD1 4.12Å; R278-L282 WeakPolarHBondContact O-CG 3.3Å; R278-L282 PolarHBondContact O-N 2.91Å
279D97.9Very high97.9Very high58 Ų5893.4 Ų93.431%0.3149%0.494SS..Hα-helixtrans-76-26.8-175.4-64-17.7000112.5T275 Q276 E277 R283T275-D279 VanDerWaalsContact O-CG 3.24Å; T275-D279 PolarHBondContact O-N 2.95Å; Q276-D279 PolarHBondContact O-N 3.45Å; E277-D279 VanDerWaalsContact C-N 3.32Å; E277-D279 PolarHBondContact O-N 2.97Å; D279-R283 WeakPolarHBondContact O-CG 3.46Å; D279-R283 PolarHBondContact O-N 2.8Å; D279-R283 VanDerWaalsContact O-N 3.16Å; D279-R283 PolarHBondContact O-NE 3.29Å
280S98Very high97.9Very high39 Ų3994.8 Ų94.827%0.27350%0.497SS..Hα-helixtrans-66.9-44.9166.2-171.10000111.5Q276 E277 R283 K284Q276-S280 VanDerWaalsContact O-CB 3.28Å; Q276-S280 WeakPolarHBondContact O-CB 3.45Å; Q276-S280 PolarHBondContact O-N 2.83Å; E277-S280 PolarHBondContact O-N 3.04Å; S280-R283 PolarHBondContact O-N 3.13Å; S280-K284 WeakPolarHBondContact O-CG 3.31Å; S280-K284 PolarHBondContact O-N 3.42Å
281A97.9Very high97.9Very high56 Ų5696.8 Ų96.846%0.46350%0.504SS..Hα-helixtrans-64.8-40.2176.400000112.4E277 R278 K284 S285E277-A281 WeakPolarHBondContact O-CB 3.16Å; E277-A281 PolarHBondContact O-N 3.1Å; R278-A281 PolarHBondContact O-N 3.37Å; A281-K284 PolarHBondContact O-N 3.24Å; A281-S285 WeakPolarHBondContact O-CB 3.43Å; A281-S285 PolarHBondContact O-N 3.48Å
282L98.3Very high97.9Very high89 Ų8996 Ų9647%0.46650%0.5SS..Hα-helixtrans-61.8-46.8175-75.9169.7000111.9R278 K284 S285 Q286R278-L282 HydrophobicContact CG-CD1 4.12Å; R278-L282 WeakPolarHBondContact O-CG 3.3Å; R278-L282 PolarHBondContact O-N 2.91Å; L282-K284 VanDerWaalsContact C-N 3.35Å; L282-K284 PolarHBondContact O-N 3.45Å; L282-S285 WeakPolarHBondContact O-CB 3.29Å; L282-S285 PolarHBondContact O-N 3.35Å; L282-Q286 WeakPolarHBondContact O-CG 3.47Å; L282-Q286 PolarHBondContact O-N 3.26Å
283R97.9Very high97.9Very high163 Ų16394 Ų9462%0.61549%0.487SS*.Hα-helixtrans-60.9-41.3175-75.3-178-67.2148.9-4.8112.4D279 S280 Q286 G287D279-R283 WeakPolarHBondContact O-CG 3.46Å; D279-R283 PolarHBondContact O-N 2.8Å; D279-R283 VanDerWaalsContact O-N 3.16Å; D279-R283 PolarHBondContact O-NE 3.29Å; S280-R283 PolarHBondContact O-N 3.13Å; R283-Q286 PolarHBondContact O-N 2.81Å; R283-G287 PolarHBondContact O-N 2.94Å
284K97.8Very high97.9Very high146 Ų14695.7 Ų95.764%0.63550%0.495SS*.Hα-helixtrans-62.4-42.5173.6-72.1175.6-177.8-177.20111.6S280 A281 L282 G287 L288S280-K284 WeakPolarHBondContact O-CG 3.31Å; S280-K284 PolarHBondContact O-N 3.42Å; A281-K284 PolarHBondContact O-N 3.24Å; L282-K284 VanDerWaalsContact C-N 3.35Å; L282-K284 PolarHBondContact O-N 3.45Å; K284-G287 PolarHBondContact O-N 2.88Å; K284-L288 WeakPolarHBondContact O-CG 3.43Å; K284-L288 PolarHBondContact O-N 2.87Å
285S97.9Very high97.9Very high70 Ų7096.5 Ų96.549%0.4950%0.496SS..Hα-helixtrans-62.5-42.9176.7-170.30000112.2A281 L282 L288 Q289A281-S285 WeakPolarHBondContact O-CB 3.43Å; A281-S285 PolarHBondContact O-N 3.48Å; L282-S285 WeakPolarHBondContact O-CB 3.29Å; L282-S285 PolarHBondContact O-N 3.35Å; S285-L288 PolarHBondContact O-N 2.98Å; S285-Q289 WeakPolarHBondContact O-CB 3.49Å; S285-Q289 PolarHBondContact O-N 2.85Å
286Q98.2Very high98Very high118 Ų11899.9 Ų99.955%0.55151%0.508SS*.Hα-helixtrans-62.9-46.1175-72.5169.1-20.100111.4L282 R283 L288 Q289 S290L282-Q286 WeakPolarHBondContact O-CG 3.47Å; L282-Q286 PolarHBondContact O-N 3.26Å; R283-Q286 PolarHBondContact O-N 2.81Å; Q286-L288 VanDerWaalsContact C-N 3.3Å; Q286-L288 PolarHBondContact O-N 2.98Å; Q286-Q289 WeakPolarHBondContact O-CB 3.38Å; Q286-Q289 PolarHBondContact O-N 2.95Å; Q286-Q289 VanDerWaalsContact O-N 3.09Å; Q286-S290 PolarHBondContact O-N 2.94Å; Q286-S290 PolarHBondContact O-OG 3.09Å
287G97.5Very high98Very high36 Ų3699.4 Ų99.437%0.37151%0.506SS..Hα-helixtrans-62.4-33.717600000113.7R283 K284 K291R283-G287 PolarHBondContact O-N 2.94Å; K284-G287 PolarHBondContact O-N 2.88Å; G287-K291 WeakPolarHBondContact O-CG 3.41Å; G287-K291 PolarHBondContact O-N 3.35Å
288L98Very high98Very high117 Ų11796.4 Ų96.461%0.61350%0.497SS*.Hα-helixtrans-71.1-36.7171.6-72.1172.9000112.3K284 S285 Q286 K291 L292K284-L288 WeakPolarHBondContact O-CG 3.43Å; K284-L288 PolarHBondContact O-N 2.87Å; S285-L288 PolarHBondContact O-N 2.98Å; Q286-L288 VanDerWaalsContact C-N 3.3Å; Q286-L288 PolarHBondContact O-N 2.98Å; L288-K291 PolarHBondContact O-N 2.83Å; L288-L292 PolarHBondContact O-N 3.16Å
289Q97.8Very high98Very high108 Ų10894.3 Ų94.351%0.50550%0.496SS..Hα-helixtrans-63.6-47.4176.2-171.8-175.2-30.700111.4S285 Q286 K291 L292 E293S285-Q289 WeakPolarHBondContact O-CB 3.49Å; S285-Q289 PolarHBondContact O-N 2.85Å; Q286-Q289 WeakPolarHBondContact O-CB 3.38Å; Q286-Q289 PolarHBondContact O-N 2.95Å; Q286-Q289 VanDerWaalsContact O-N 3.09Å; Q289-K291 VanDerWaalsContact C-N 3.27Å; Q289-K291 PolarHBondContact O-N 2.77Å; Q289-L292 WeakPolarHBondContact O-CB 3.48Å; Q289-L292 PolarHBondContact O-N 3.48Å; Q289-E293 WeakPolarHBondContact CG-OE1 3.39Å; Q289-E293 PolarHBondContact NE2-OE1 2.91Å; Q289-E293 WeakPolarHBondContact O-CG 3.09Å; Q289-E293 PolarHBondContact O-N 2.7Å
290S97.7Very high98.1Very high73 Ų7397.4 Ų97.451%0.5151%0.506SS..Hα-helixtrans-63-32.6176.3-55.10000112.8Q286 S294Q286-S290 PolarHBondContact O-N 2.94Å; Q286-S290 PolarHBondContact O-OG 3.09Å; S290-S294 WeakPolarHBondContact O-CB 3.5Å; S290-S294 PolarHBondContact O-N 2.83Å
291K98.1Very high98.1Very high144 Ų144100.9 Ų100.963%0.62652%0.518SS*.Hα-helixtrans-67.2-39.6171.5-74.9178.3179.7-169.40112.2G287 L288 Q289 S294 L295G287-K291 WeakPolarHBondContact O-CG 3.41Å; G287-K291 PolarHBondContact O-N 3.35Å; L288-K291 PolarHBondContact O-N 2.83Å; Q289-K291 VanDerWaalsContact C-N 3.27Å; Q289-K291 PolarHBondContact O-N 2.77Å; K291-S294 PolarHBondContact O-N 3.31Å; K291-L295 WeakPolarHBondContact O-CG 3.3Å; K291-L295 PolarHBondContact O-N 3.14Å
292L98.3Very high98.1Very high98 Ų98103.9 Ų103.951%0.51352%0.524SS..Hα-helixtrans-63.6-47.1174.9-177.266.1000111.1L288 Q289 S294 L295 E296L288-L292 PolarHBondContact O-N 3.16Å; Q289-L292 WeakPolarHBondContact O-CB 3.48Å; Q289-L292 PolarHBondContact O-N 3.48Å; L292-S294 VanDerWaalsContact C-N 3.3Å; L292-S294 PolarHBondContact O-N 2.84Å; L292-L295 PolarHBondContact O-N 3.29Å; L292-L295 VanDerWaalsContact O-N 3.14Å; L292-E296 WeakPolarHBondContact O-CG 3.5Å; L292-E296 PolarHBondContact O-N 2.7Å
293E98.1Very high98Very high82 Ų82107.3 Ų107.338%0.38353%0.531SS..Hα-helixtrans-59.3-39.7176.9-70.3166.6-171.400111.9Q289 E296 Q297Q289-E293 WeakPolarHBondContact CG-OE1 3.39Å; Q289-E293 PolarHBondContact NE2-OE1 2.91Å; Q289-E293 WeakPolarHBondContact O-CG 3.09Å; Q289-E293 PolarHBondContact O-N 2.7Å; E293-E296 PolarHBondContact O-N 3.39Å; E293-Q297 WeakPolarHBondContact O-CG 3.49Å; E293-Q297 PolarHBondContact O-N 2.86Å; E293-Q297 VanDerWaalsContact O-N 3.09Å
294S98.2Very high98.1Very high63 Ų63103.3 Ų103.344%0.44152%0.519SS..Hα-helixtrans-64.5-44.8172.9-179.90000112.6S290 K291 L292 E296 Q297 V298S290-S294 WeakPolarHBondContact O-CB 3.5Å; S290-S294 PolarHBondContact O-N 2.83Å; K291-S294 PolarHBondContact O-N 3.31Å; L292-S294 VanDerWaalsContact C-N 3.3Å; L292-S294 PolarHBondContact O-N 2.84Å; S294-E296 VanDerWaalsContact C-N 3.33Å; S294-E296 PolarHBondContact O-N 2.78Å; S294-Q297 WeakPolarHBondContact O-CB 3.17Å; S294-Q297 PolarHBondContact O-N 2.95Å; S294-V298 WeakPolarHBondContact O-CG2 3.15Å; S294-V298 PolarHBondContact O-N 2.72Å
295L98Very high98.1Very high107 Ų107100 Ų10056%0.5651%0.511SS*.Hα-helixtrans-64.3-35.7175.6-71.9171.3000112.4K291 L292 V298 L299K291-L295 WeakPolarHBondContact O-CG 3.3Å; K291-L295 PolarHBondContact O-N 3.14Å; L292-L295 PolarHBondContact O-N 3.29Å; L292-L295 VanDerWaalsContact O-N 3.14Å; L295-V298 PolarHBondContact O-N 2.59Å; L295-L299 WeakPolarHBondContact O-CB 3.33Å; L295-L299 VanDerWaalsContact O-CG 3.31Å; L295-L299 WeakPolarHBondContact O-CG 3.45Å; L295-L299 PolarHBondContact O-N 3.37Å
296E98.1Very high98.1Very high112 Ų11299.6 Ų99.652%0.52351%0.512SS..Hα-helixtrans-64.2-39.2173.4-75-177178.300112.1L292 E293 S294 L299 K300L292-E296 WeakPolarHBondContact O-CG 3.5Å; L292-E296 PolarHBondContact O-N 2.7Å; E293-E296 PolarHBondContact O-N 3.39Å; S294-E296 VanDerWaalsContact C-N 3.33Å; S294-E296 PolarHBondContact O-N 2.78Å; E296-L299 PolarHBondContact O-N 2.93Å; E296-K300 WeakPolarHBondContact O-CB 3.23Å; E296-K300 PolarHBondContact O-N 2.95Å
297Q98.5Very high98.1Very high133 Ų133100.2 Ų100.262%0.62152%0.515SS*.Hα-helixtrans-63.5-45173-69.2169.423.200111.6E293 S294 L299 K300 H301E293-Q297 WeakPolarHBondContact O-CG 3.49Å; E293-Q297 PolarHBondContact O-N 2.86Å; E293-Q297 VanDerWaalsContact O-N 3.09Å; S294-Q297 WeakPolarHBondContact O-CB 3.17Å; S294-Q297 PolarHBondContact O-N 2.95Å; Q297-L299 PolarHBondContact O-N 3.09Å; Q297-K300 WeakPolarHBondContact O-CB 3.39Å; Q297-K300 PolarHBondContact O-N 3.02Å; Q297-H301 PolarHBondContact O-N 3.06Å
298V98.3Very high98.1Very high75 Ų75106.7 Ų106.746%0.45553%0.528SS..Hα-helixtrans-60.8-45.1174.8174.30000111S294 L295 K300 H301 M302S294-V298 WeakPolarHBondContact O-CG2 3.15Å; S294-V298 PolarHBondContact O-N 2.72Å; L295-V298 PolarHBondContact O-N 2.59Å; V298-K300 VanDerWaalsContact C-N 3.28Å; V298-K300 PolarHBondContact O-N 3.1Å; V298-H301 PolarHBondContact O-N 3.17Å; V298-M302 HydrophobicContact CG1-CG 4.32Å; V298-M302 HydrophobicContact CG1-SD 4.16Å; V298-M302 WeakPolarHBondContact O-CB 3.41Å; V298-M302 WeakPolarHBondContact O-CG 3.31Å; V298-M302 PolarHBondContact O-N 3.42Å
299L98.3Very high98.2Very high94 Ų94108.8 Ų108.849%0.49253%0.528SS..Hα-helixtrans-66.8-25.8176.8-73.1173.8000113.4L295 E296 Q297 R303L295-L299 WeakPolarHBondContact O-CB 3.33Å; L295-L299 VanDerWaalsContact O-CG 3.31Å; L295-L299 WeakPolarHBondContact O-CG 3.45Å; L295-L299 PolarHBondContact O-N 3.37Å; E296-L299 PolarHBondContact O-N 2.93Å; Q297-L299 PolarHBondContact O-N 3.09Å; L299-R303 WeakPolarHBondContact O-CG 3.47Å; L299-R303 PolarHBondContact O-N 3.17Å; L299-R303 PolarHBondContact O-NE 3.04Å
300K98.3Very high98.2Very high122 Ų122109.9 Ų109.953%0.5353%0.533SS..Hα-helixtrans-70.9-50.4170.2-174.1180-177.5-860110E296 Q297 V298 M302 R303 E304E296-K300 WeakPolarHBondContact O-CB 3.23Å; E296-K300 PolarHBondContact O-N 2.95Å; Q297-K300 WeakPolarHBondContact O-CB 3.39Å; Q297-K300 PolarHBondContact O-N 3.02Å; V298-K300 VanDerWaalsContact C-N 3.28Å; V298-K300 PolarHBondContact O-N 3.1Å; K300-M302 PolarHBondContact O-N 3.08Å; K300-R303 WeakPolarHBondContact O-CB 3.37Å; K300-R303 PolarHBondContact O-N 3.31Å; K300-R303 VanDerWaalsContact O-N 3.08Å; K300-E304 IonicContact NZ-OE1 3.92Å; K300-E304 PolarHBondContact NZ-OE1 2.87Å; K300-E304 WeakPolarHBondContact O-CG 3.38Å; K300-E304 PolarHBondContact O-N 2.9Å
301H98.2Very high98.2Very high112 Ų112110.9 Ų110.952%0.51953%0.53SS..Hα-helixtrans-62-41.1179-17256.8000112.7Q297 V298 R303 E304 V305Q297-H301 PolarHBondContact O-N 3.06Å; V298-H301 PolarHBondContact O-N 3.17Å; H301-R303 VanDerWaalsContact C-N 3.26Å; H301-R303 PolarHBondContact O-N 2.98Å; H301-E304 IonicContact ND1-OE2 3.38Å; H301-E304 PolarHBondContact O-N 3.15Å; H301-V305 WeakPolarHBondContact O-CB 3.37Å; H301-V305 WeakPolarHBondContact O-CG2 3.43Å; H301-V305 PolarHBondContact O-N 2.81Å
302M97.7Very high98.2Very high120 Ų120108.3 Ų108.359%0.59152%0.522SS*.Hα-helixtrans-59.9-35.1174-73.4-176.674.400112.8V298 K300 A306V298-M302 HydrophobicContact CG1-CG 4.32Å; V298-M302 HydrophobicContact CG1-SD 4.16Å; V298-M302 WeakPolarHBondContact O-CB 3.41Å; V298-M302 WeakPolarHBondContact O-CG 3.31Å; V298-M302 PolarHBondContact O-N 3.42Å; K300-M302 PolarHBondContact O-N 3.08Å; M302-A306 VanDerWaalsContact O-CB 3.31Å; M302-A306 WeakPolarHBondContact O-CB 3.44Å; M302-A306 PolarHBondContact O-N 2.87Å
303R98.1Very high98.2Very high160 Ų160108 Ų10860%0.60452%0.518SS*.Hα-helixtrans-69.7-43.5174-80.8177.3-83.4179.5-7.4111.8L299 K300 H301 A306 Q307L299-R303 WeakPolarHBondContact O-CG 3.47Å; L299-R303 PolarHBondContact O-N 3.17Å; L299-R303 PolarHBondContact O-NE 3.04Å; K300-R303 WeakPolarHBondContact O-CB 3.37Å; K300-R303 PolarHBondContact O-N 3.31Å; K300-R303 VanDerWaalsContact O-N 3.08Å; H301-R303 VanDerWaalsContact C-N 3.26Å; H301-R303 PolarHBondContact O-N 2.98Å; R303-A306 PolarHBondContact O-N 2.83Å; R303-Q307 WeakPolarHBondContact O-CG 3.32Å; R303-Q307 PolarHBondContact O-N 3.4Å
304E98.4Very high98.2Very high79 Ų79108.1 Ų108.137%0.36952%0.524SS..Hα-helixtrans-60.6-44175.1-67.6164.6178.400111.5K300 H301 Q307 R308K300-E304 IonicContact NZ-OE1 3.92Å; K300-E304 PolarHBondContact NZ-OE1 2.87Å; K300-E304 WeakPolarHBondContact O-CG 3.38Å; K300-E304 PolarHBondContact O-N 2.9Å; H301-E304 IonicContact ND1-OE2 3.38Å; H301-E304 PolarHBondContact O-N 3.15Å; E304-Q307 PolarHBondContact O-N 2.74Å; E304-R308 WeakPolarHBondContact O-CB 3.37Å; E304-R308 PolarHBondContact O-N 3.48Å
305V98.5Very high98.2Very high78 Ų78109 Ų10947%0.47352%0.521SS..Hα-helixtrans-64.9-41175.7171.50000111.6H301 R308 R309H301-V305 WeakPolarHBondContact O-CB 3.37Å; H301-V305 WeakPolarHBondContact O-CG2 3.43Å; H301-V305 PolarHBondContact O-N 2.81Å; V305-R308 PolarHBondContact O-N 2.79Å; V305-R309 WeakPolarHBondContact O-CB 3.49Å; V305-R309 PolarHBondContact O-N 3.13Å
306A97.9Very high98.2Very high60 Ų60109.2 Ų109.250%0.49652%0.519SS..Hα-helixtrans-63.9-42.8175.800000112.1M302 R303 R309 Q310M302-A306 VanDerWaalsContact O-CB 3.31Å; M302-A306 WeakPolarHBondContact O-CB 3.44Å; M302-A306 PolarHBondContact O-N 2.87Å; R303-A306 PolarHBondContact O-N 2.83Å; A306-R309 PolarHBondContact O-N 2.92Å; A306-Q310 PolarHBondContact O-N 2.81Å
307Q98.4Very high98.2Very high132 Ų132110.1 Ų110.162%0.61752%0.524SS*.Hα-helixtrans-64.2-46.5174.8-73.8175.3-35.500111.8R303 E304 R309 Q310 Q311R303-Q307 WeakPolarHBondContact O-CG 3.32Å; R303-Q307 PolarHBondContact O-N 3.4Å; E304-Q307 PolarHBondContact O-N 2.74Å; Q307-R309 VanDerWaalsContact C-N 3.25Å; Q307-R309 PolarHBondContact O-N 2.86Å; Q307-Q310 PolarHBondContact O-N 2.96Å; Q307-Q310 VanDerWaalsContact O-N 3.14Å; Q307-Q311 PolarHBondContact O-N 2.92Å
308R98.4Very high98.2Very high172 Ų172110.4 Ų110.465%0.64953%0.525SS*.Hα-helixtrans-57.2-40175.4-168.276.9-178.6159.24.1111.4E304 V305 L312E304-R308 WeakPolarHBondContact O-CB 3.37Å; E304-R308 PolarHBondContact O-N 3.48Å; V305-R308 PolarHBondContact O-N 2.79Å; R308-L312 WeakPolarHBondContact O-CG 3.1Å; R308-L312 PolarHBondContact O-N 3.16Å
309R98.1Very high98.2Very high160 Ų160109.7 Ų109.760%0.60453%0.527SS*.Hα-helixtrans-66.2-44.8175.6178.3178.9163.5-155.6-16.7112.2V305 A306 Q307 Q311 L312 E313V305-R309 WeakPolarHBondContact O-CB 3.49Å; V305-R309 PolarHBondContact O-N 3.13Å; A306-R309 PolarHBondContact O-N 2.92Å; Q307-R309 VanDerWaalsContact C-N 3.25Å; Q307-R309 PolarHBondContact O-N 2.86Å; R309-Q311 VanDerWaalsContact C-N 3.3Å; R309-Q311 PolarHBondContact O-N 3.16Å; R309-L312 PolarHBondContact O-N 2.74Å; R309-E313 IonicContact CZ-OE1 3.67Å; R309-E313 IonicContact NE-OE1 3.79Å; R309-E313 PolarHBondContact NE-OE1 2.88Å; R309-E313 IonicContact NH2-OE1 2.8Å; R309-E313 PolarHBondContact NH2-OE1 2.84Å; R309-E313 WeakPolarHBondContact O-CG 3.28Å; R309-E313 PolarHBondContact O-N 2.98Å
310Q98.3Very high98.2Very high131 Ų131110.8 Ų110.861%0.61252%0.524SS*.Hα-helixtrans-59.9-42.6177.1-176.2177.8-6.300111.2A306 Q307 E313 V314A306-Q310 PolarHBondContact O-N 2.81Å; Q307-Q310 PolarHBondContact O-N 2.96Å; Q307-Q310 VanDerWaalsContact O-N 3.14Å; Q310-E313 PolarHBondContact O-N 2.98Å; Q310-V314 WeakPolarHBondContact O-CG2 3.09Å; Q310-V314 PolarHBondContact O-N 3.06Å
311Q98.3Very high98.2Very high95 Ų95110 Ų11044%0.44453%0.525SS..Hα-helixtrans-58.9-48.4174.5-179.26027.400111.9Q307 R309 E313 V314 E315Q307-Q311 PolarHBondContact O-N 2.92Å; R309-Q311 VanDerWaalsContact C-N 3.3Å; R309-Q311 PolarHBondContact O-N 3.16Å; Q311-E313 VanDerWaalsContact C-N 3.28Å; Q311-E313 PolarHBondContact O-N 2.82Å; Q311-V314 PolarHBondContact O-N 2.93Å; Q311-V314 VanDerWaalsContact O-N 3.17Å; Q311-E315 WeakPolarHBondContact CG-OE1 3.11Å; Q311-E315 PolarHBondContact NE2-OE1 3.2Å; Q311-E315 WeakPolarHBondContact O-CG 3.43Å; Q311-E315 PolarHBondContact O-N 2.75Å
312L98.3Very high98.2Very high90 Ų90107.4 Ų107.447%0.47152%0.52SS..Hα-helixtrans-63-31.4176.1-71.6168.7000113.2R308 R309 H316R308-L312 WeakPolarHBondContact O-CG 3.1Å; R308-L312 PolarHBondContact O-N 3.16Å; R309-L312 PolarHBondContact O-N 2.74Å; L312-H316 WeakPolarHBondContact O-CB 3.12Å; L312-H316 PolarHBondContact O-N 2.83Å
313E98Very high98.2Very high91 Ų91106.5 Ų106.543%0.42552%0.517SS..Hα-helixtrans-67.7-42.3173.8-75176.6-175.500111.1R309 Q310 Q311 H316 E317R309-E313 IonicContact CZ-OE1 3.67Å; R309-E313 IonicContact NE-OE1 3.79Å; R309-E313 PolarHBondContact NE-OE1 2.88Å; R309-E313 IonicContact NH2-OE1 2.8Å; R309-E313 PolarHBondContact NH2-OE1 2.84Å; R309-E313 WeakPolarHBondContact O-CG 3.28Å; R309-E313 PolarHBondContact O-N 2.98Å; Q310-E313 PolarHBondContact O-N 2.98Å; Q311-E313 VanDerWaalsContact C-N 3.28Å; Q311-E313 PolarHBondContact O-N 2.82Å; E313-H316 PolarHBondContact O-N 3.36Å; E313-E317 WeakPolarHBondContact O-CG 3.48Å; E313-E317 PolarHBondContact O-N 2.87Å
314V98.3Very high98.2Very high84 Ų84104.9 Ų104.951%0.50951%0.511SS..Hα-helixtrans-63.6-48.9174.11740000111.8Q310 Q311 H316 E317 Q318Q310-V314 WeakPolarHBondContact O-CG2 3.09Å; Q310-V314 PolarHBondContact O-N 3.06Å; Q311-V314 PolarHBondContact O-N 2.93Å; Q311-V314 VanDerWaalsContact O-N 3.17Å; V314-H316 VanDerWaalsContact C-N 3.28Å; V314-H316 PolarHBondContact O-N 2.9Å; V314-E317 PolarHBondContact O-N 3.23Å; V314-E317 VanDerWaalsContact O-N 3.1Å; V314-Q318 PolarHBondContact O-N 2.8Å
315E97.9Very high98.2Very high81 Ų81106.4 Ų106.438%0.37952%0.518SS..Hα-helixtrans-57.7-41.3176.7-73.3170.5-161.600111.7Q311 Q318 A319Q311-E315 WeakPolarHBondContact CG-OE1 3.11Å; Q311-E315 PolarHBondContact NE2-OE1 3.2Å; Q311-E315 WeakPolarHBondContact O-CG 3.43Å; Q311-E315 PolarHBondContact O-N 2.75Å; E315-Q318 PolarHBondContact O-N 2.61Å; E315-A319 WeakPolarHBondContact O-CB 3.45Å; E315-A319 PolarHBondContact O-N 2.98Å
316H98Very high98.2Very high112 Ų112107.7 Ų107.752%0.51952%0.517SS..Hα-helixtrans-66.1-37.7175.8170.3-115000112.6L312 E313 V314 R320L312-H316 WeakPolarHBondContact O-CB 3.12Å; L312-H316 PolarHBondContact O-N 2.83Å; E313-H316 PolarHBondContact O-N 3.36Å; V314-H316 VanDerWaalsContact C-N 3.28Å; V314-H316 PolarHBondContact O-N 2.9Å; H316-R320 VanDerWaalsContact CE1-CD 3.44Å; H316-R320 WeakPolarHBondContact CE1-CD 3.5Å; H316-R320 WeakPolarHBondContact NE2-CD 3.47Å; H316-R320 WeakPolarHBondContact O-CB 3.39Å; H316-R320 WeakPolarHBondContact O-CD 3.42Å; H316-R320 WeakPolarHBondContact O-CG 2.98Å; H316-R320 PolarHBondContact O-N 3.41Å
317E98.3Very high98.2Very high132 Ų132108.9 Ų108.962%0.61751%0.513SS*.Hα-helixtrans-66.8-43.2173-70.2-155.4150.200112.3E313 V314 A319 R320 L321E313-E317 WeakPolarHBondContact O-CG 3.48Å; E313-E317 PolarHBondContact O-N 2.87Å; V314-E317 PolarHBondContact O-N 3.23Å; V314-E317 VanDerWaalsContact O-N 3.1Å; E317-A319 PolarHBondContact O-N 3.44Å; E317-R320 WeakPolarHBondContact O-CB 3.48Å; E317-R320 PolarHBondContact O-N 3.11Å; E317-R320 VanDerWaalsContact O-N 3.15Å; E317-L321 WeakPolarHBondContact O-CG 3.42Å; E317-L321 PolarHBondContact O-N 3.19Å
318Q98.3Very high98.2Very high138 Ų138108.7 Ų108.765%0.64551%0.512SS*.Hα-helixtrans-60.3-44.9175.1-165.9-17230.800111.4V314 E315 R320 L321 S322V314-Q318 PolarHBondContact O-N 2.8Å; E315-Q318 PolarHBondContact O-N 2.61Å; Q318-R320 VanDerWaalsContact C-N 3.31Å; Q318-R320 PolarHBondContact O-N 3.45Å; Q318-L321 PolarHBondContact O-N 2.9Å; Q318-S322 PolarHBondContact O-N 3.36Å
319A98.2Very high98.2Very high60 Ų60103.7 Ų103.750%0.49650%0.496SS..Hα-helixtrans-60.8-38.6174.700000112.2E315 E317 S322 L323E315-A319 WeakPolarHBondContact O-CB 3.45Å; E315-A319 PolarHBondContact O-N 2.98Å; E317-A319 PolarHBondContact O-N 3.44Å; A319-S322 PolarHBondContact O-N 3.16Å; A319-L323 WeakPolarHBondContact O-CB 3.14Å; A319-L323 PolarHBondContact O-N 3.13Å
320R98.4Very high98.2Very high118 Ų11899.7 Ų99.745%0.44549%0.489SS..Hα-helixtrans-66.7-37.9174.4-74.7167.363.482.5-3.9112.7H316 E317 Q318 R324H316-R320 VanDerWaalsContact CE1-CD 3.44Å; H316-R320 WeakPolarHBondContact CE1-CD 3.5Å; H316-R320 WeakPolarHBondContact NE2-CD 3.47Å; H316-R320 WeakPolarHBondContact O-CB 3.39Å; H316-R320 WeakPolarHBondContact O-CD 3.42Å; H316-R320 WeakPolarHBondContact O-CG 2.98Å; H316-R320 PolarHBondContact O-N 3.41Å; E317-R320 WeakPolarHBondContact O-CB 3.48Å; E317-R320 PolarHBondContact O-N 3.11Å; E317-R320 VanDerWaalsContact O-N 3.15Å; Q318-R320 VanDerWaalsContact C-N 3.31Å; Q318-R320 PolarHBondContact O-N 3.45Å; R320-R324 WeakPolarHBondContact O-CG 3.03Å; R320-R324 PolarHBondContact O-N 2.85Å
321L98.3Very high98.2Very high105 Ų10599.9 Ų99.955%0.5548%0.484SS..Hα-helixtrans-65.9-46.9174.5-69.1175.7000111.1E317 Q318 L323 R324 E325E317-L321 WeakPolarHBondContact O-CG 3.42Å; E317-L321 PolarHBondContact O-N 3.19Å; Q318-L321 PolarHBondContact O-N 2.9Å; L321-L323 VanDerWaalsContact C-N 3.32Å; L321-L323 PolarHBondContact O-N 3.02Å; L321-R324 WeakPolarHBondContact O-CB 3.43Å; L321-R324 PolarHBondContact O-N 3.04Å; L321-R324 VanDerWaalsContact O-N 3.15Å; L321-E325 PolarHBondContact O-N 2.85Å
322S98.2Very high98.2Very high58 Ų58102.6 Ų102.641%0.40649%0.49SS..Hα-helixtrans-58.9-43.1175.1-165.90000111.8Q318 A319 R324 E325 K326Q318-S322 PolarHBondContact O-N 3.36Å; A319-S322 PolarHBondContact O-N 3.16Å; S322-R324 PolarHBondContact O-N 2.72Å; S322-E325 WeakPolarHBondContact O-CB 3.47Å; S322-E325 PolarHBondContact O-N 2.91Å; S322-K326 WeakPolarHBondContact O-CG 3.28Å; S322-K326 PolarHBondContact O-N 2.99Å
323L98.3Very high98.2Very high101 Ų101103.1 Ų103.153%0.52949%0.493SS..Hα-helixtrans-61.9-39.8175.9-178.861.3000112.5A319 L321 K326 Q327A319-L323 WeakPolarHBondContact O-CB 3.14Å; A319-L323 PolarHBondContact O-N 3.13Å; L321-L323 VanDerWaalsContact C-N 3.32Å; L321-L323 PolarHBondContact O-N 3.02Å; L323-K326 PolarHBondContact O-N 3.35Å; L323-Q327 VanDerWaalsContact O-CG 3.31Å; L323-Q327 WeakPolarHBondContact O-CG 3.45Å; L323-Q327 PolarHBondContact O-N 2.82Å
324R98.3Very high98.1Very high125 Ų125104.3 Ų104.347%0.47250%0.498SS..Hα-helixtrans-62.9-46.4174.8-74.8171.9-178.7161.5-0.9111.6R320 L321 S322 K326 Q327 E328R320-R324 WeakPolarHBondContact O-CG 3.03Å; R320-R324 PolarHBondContact O-N 2.85Å; L321-R324 WeakPolarHBondContact O-CB 3.43Å; L321-R324 PolarHBondContact O-N 3.04Å; L321-R324 VanDerWaalsContact O-N 3.15Å; S322-R324 PolarHBondContact O-N 2.72Å; R324-K326 VanDerWaalsContact C-N 3.31Å; R324-K326 PolarHBondContact O-N 3.16Å; R324-Q327 WeakPolarHBondContact O-CB 3.41Å; R324-Q327 PolarHBondContact O-N 3.16Å; R324-Q327 VanDerWaalsContact O-N 3.08Å; R324-E328 PolarHBondContact O-N 3.16Å
325E98.3Very high98.1Very high111 Ų111107 Ų10752%0.51951%0.505SS..Hα-helixtrans-56.8-45.1175.6-169.7-144.417000110.9L321 S322 Q327 E328 E329L321-E325 PolarHBondContact O-N 2.85Å; S322-E325 WeakPolarHBondContact O-CB 3.47Å; S322-E325 PolarHBondContact O-N 2.91Å; E325-Q327 PolarHBondContact O-N 2.82Å; E325-E328 PolarHBondContact O-N 2.78Å; E325-E329 PolarHBondContact O-N 2.82Å
326K98Very high98.1Very high106 Ų106105.7 Ų105.746%0.46151%0.508SS..Hα-helixtrans-66.4-34.3175.6-59.8-38.9175.2-138.30113S322 L323 R324 E329 V330S322-K326 WeakPolarHBondContact O-CG 3.28Å; S322-K326 PolarHBondContact O-N 2.99Å; L323-K326 PolarHBondContact O-N 3.35Å; R324-K326 VanDerWaalsContact C-N 3.31Å; R324-K326 PolarHBondContact O-N 3.16Å; K326-E329 PolarHBondContact O-N 2.83Å; K326-V330 VanDerWaalsContact O-CG2 3.29Å; K326-V330 WeakPolarHBondContact O-CG2 3.45Å; K326-V330 PolarHBondContact O-N 2.85Å
327Q98.1Very high98.1Very high85 Ų85106 Ų10640%0.39751%0.51SS..Hα-helixtrans-66.3-37.8172.8-73.117716.100112.3L323 R324 E325 V330 R331L323-Q327 VanDerWaalsContact O-CG 3.31Å; L323-Q327 WeakPolarHBondContact O-CG 3.45Å; L323-Q327 PolarHBondContact O-N 2.82Å; R324-Q327 WeakPolarHBondContact O-CB 3.41Å; R324-Q327 PolarHBondContact O-N 3.16Å; R324-Q327 VanDerWaalsContact O-N 3.08Å; E325-Q327 PolarHBondContact O-N 2.82Å; Q327-V330 PolarHBondContact O-N 2.8Å; Q327-R331 WeakPolarHBondContact O-CG 3.44Å; Q327-R331 PolarHBondContact O-N 2.86Å
328E98.1Very high98Very high128 Ų128102.3 Ų102.360%0.59850%0.502SS*.Hα-helixtrans-68.2-41.4175.2-72.4177.3-169.300111.9R324 E325 V330 R331 R332R324-E328 PolarHBondContact O-N 3.16Å; E325-E328 PolarHBondContact O-N 2.78Å; E328-V330 PolarHBondContact O-N 2.88Å; E328-R331 PolarHBondContact O-N 2.93Å; E328-R332 WeakPolarHBondContact O-CB 3.41Å; E328-R332 PolarHBondContact O-N 2.94Å
329E97.9Very high98Very high67 Ų6799.8 Ų99.831%0.31349%0.49SS..Hα-helixtrans-59-45.4171.7-176.257.1-144.500111.5E325 K326 R331 R332 L333E325-E329 PolarHBondContact O-N 2.82Å; K326-E329 PolarHBondContact O-N 2.83Å; E329-R331 PolarHBondContact O-N 3.19Å; E329-R332 WeakPolarHBondContact O-CB 3.41Å; E329-R332 PolarHBondContact O-N 2.76Å; E329-R332 IonicContact OE1-CZ 3.07Å; E329-R332 IonicContact OE1-NE 2.73Å; E329-R332 PolarHBondContact OE1-NE 3.43Å; E329-R332 IonicContact OE1-NH2 2.78Å; E329-R332 PolarHBondContact OE1-NH2 2.9Å; E329-R332 IonicContact OE2-CZ 3.88Å; E329-R332 IonicContact OE2-NE 2.64Å; E329-R332 PolarHBondContact OE2-NE 2.9Å; E329-R332 IonicContact OE2-NH1 3.77Å; E329-R332 IonicContact OE2-NH2 3.25Å; E329-R332 PolarHBondContact OE2-NH2 3.32Å; E329-L333 HydrophobicContact CG-CD1 4.22Å; E329-L333 WeakPolarHBondContact O-CG 3.41Å; E329-L333 PolarHBondContact O-N 2.85Å
330V98.1Very high97.9Very high75 Ų7599.6 Ų99.646%0.45549%0.489SS..Hα-helixtrans-61.3-42.7175.5168.70000111.7K326 Q327 E328 R332 L333 Q334K326-V330 VanDerWaalsContact O-CG2 3.29Å; K326-V330 WeakPolarHBondContact O-CG2 3.45Å; K326-V330 PolarHBondContact O-N 2.85Å; Q327-V330 PolarHBondContact O-N 2.8Å; E328-V330 PolarHBondContact O-N 2.88Å; V330-R332 VanDerWaalsContact C-N 3.35Å; V330-R332 PolarHBondContact O-N 2.9Å; V330-L333 PolarHBondContact O-N 3Å; V330-Q334 HydrophobicContact CG1-CG 4.45Å; V330-Q334 WeakPolarHBondContact O-CB 3.45Å; V330-Q334 WeakPolarHBondContact O-CG 3.45Å; V330-Q334 PolarHBondContact O-N 3.36Å
331R98.3Very high97.8Very high135 Ų13599.7 Ų99.751%0.50949%0.494SS..Hα-helixtrans-61.4-42.2174.8-73.5178.2-168.3104.25111.8Q327 E328 E329 Q334 Q335Q327-R331 WeakPolarHBondContact O-CG 3.44Å; Q327-R331 PolarHBondContact O-N 2.86Å; E328-R331 PolarHBondContact O-N 2.93Å; E329-R331 PolarHBondContact O-N 3.19Å; R331-Q334 PolarHBondContact O-N 2.99Å; R331-Q335 PolarHBondContact O-N 3.02Å
332R98.3Very high97.8Very high153 Ų153101.9 Ų101.958%0.57750%0.495SS*.Hα-helixtrans-61.5-44.1176.5-172.3-179.373.9165.14.2111.6E328 E329 V330 Q335 A336E328-R332 WeakPolarHBondContact O-CB 3.41Å; E328-R332 PolarHBondContact O-N 2.94Å; E329-R332 WeakPolarHBondContact O-CB 3.41Å; E329-R332 PolarHBondContact O-N 2.76Å; E329-R332 IonicContact OE1-CZ 3.07Å; E329-R332 IonicContact OE1-NE 2.73Å; E329-R332 PolarHBondContact OE1-NE 3.43Å; E329-R332 IonicContact OE1-NH2 2.78Å; E329-R332 PolarHBondContact OE1-NH2 2.9Å; E329-R332 IonicContact OE2-CZ 3.88Å; E329-R332 IonicContact OE2-NE 2.64Å; E329-R332 PolarHBondContact OE2-NE 2.9Å; E329-R332 IonicContact OE2-NH1 3.77Å; E329-R332 IonicContact OE2-NH2 3.25Å; E329-R332 PolarHBondContact OE2-NH2 3.32Å; V330-R332 VanDerWaalsContact C-N 3.35Å; V330-R332 PolarHBondContact O-N 2.9Å; R332-Q335 PolarHBondContact O-N 3.13Å; R332-A336 WeakPolarHBondContact O-CB 3.19Å; R332-A336 PolarHBondContact O-N 3.37Å
333L98.1Very high97.7Very high101 Ų101105.3 Ų105.353%0.52951%0.505SS..Hα-helixtrans-65.4-40.6176.4-68.6171.6000112.1E329 V330 A336 Q337E329-L333 HydrophobicContact CG-CD1 4.22Å; E329-L333 WeakPolarHBondContact O-CG 3.41Å; E329-L333 PolarHBondContact O-N 2.85Å; V330-L333 PolarHBondContact O-N 3Å; L333-A336 PolarHBondContact O-N 3.12Å; L333-Q337 WeakPolarHBondContact O-CB 3.41Å; L333-Q337 PolarHBondContact O-N 3.07Å
334Q97.4Very high97.5Very high115 Ų115106.7 Ų106.754%0.53751%0.508SS..Hα-helixtrans-62.3-42.5173.9-74.7173.8-12.500112.1V330 R331 Q337 A338V330-Q334 HydrophobicContact CG1-CG 4.45Å; V330-Q334 WeakPolarHBondContact O-CB 3.45Å; V330-Q334 WeakPolarHBondContact O-CG 3.45Å; V330-Q334 PolarHBondContact O-N 3.36Å; R331-Q334 PolarHBondContact O-N 2.99Å; Q334-Q337 PolarHBondContact O-N 3.12Å; Q334-A338 PolarHBondContact O-N 3.15Å
335Q98Very high97.4Very high140 Ų140106.1 Ų106.165%0.65451%0.511SS*.Hα-helixtrans-63-46.1175.6-178.4177.2-9.600111.6R331 R332 Q337 A338 E339R331-Q335 PolarHBondContact O-N 3.02Å; R332-Q335 PolarHBondContact O-N 3.13Å; Q335-Q337 VanDerWaalsContact C-N 3.3Å; Q335-Q337 PolarHBondContact O-N 3.02Å; Q335-A338 PolarHBondContact O-N 3.44Å; Q335-E339 WeakPolarHBondContact O-CB 3.41Å; Q335-E339 PolarHBondContact O-N 3.35Å
336A97.3Very high97.3Very high54 Ų54102.6 Ų102.645%0.44650%0.504SS..Hα-helixtrans-62.1-37.1176.200000112.2R332 L333 A340R332-A336 WeakPolarHBondContact O-CB 3.19Å; R332-A336 PolarHBondContact O-N 3.37Å; L333-A336 PolarHBondContact O-N 3.12Å; A336-A340 WeakPolarHBondContact O-CB 3.31Å; A336-A340 PolarHBondContact O-N 3.06Å
337Q97.5Very high97.2Very high119 Ų11999.9 Ų99.956%0.55650%0.502SS*.Hα-helixtrans-66-42.6174.5-175.1176.74.200112.1L333 Q334 Q335 A340 Q341L333-Q337 WeakPolarHBondContact O-CB 3.41Å; L333-Q337 PolarHBondContact O-N 3.07Å; Q334-Q337 PolarHBondContact O-N 3.12Å; Q335-Q337 VanDerWaalsContact C-N 3.3Å; Q335-Q337 PolarHBondContact O-N 3.02Å; Q337-A340 PolarHBondContact O-N 3.4Å; Q337-Q341 WeakPolarHBondContact O-CB 3.47Å; Q337-Q341 WeakPolarHBondContact O-CG 3.38Å; Q337-Q341 PolarHBondContact O-N 3.01Å
338A97.1Very high97.2Very high54 Ų5498.3 Ų98.345%0.44650%0.498SS..Hα-helixtrans-66.7-37.5176.700000112.3Q334 Q335 Q341 R342Q334-A338 PolarHBondContact O-N 3.15Å; Q335-A338 PolarHBondContact O-N 3.44Å; A338-Q341 PolarHBondContact O-N 2.89Å; A338-R342 WeakPolarHBondContact O-CB 3.15Å; A338-R342 PolarHBondContact O-N 2.81Å
339E97Very high97Very high86 Ų8697.2 Ų97.240%0.40249%0.492SS..Hα-helixtrans-63.7-47.5172.9178146.5-112.700111.6Q335 Q341 R342 E343Q335-E339 WeakPolarHBondContact O-CB 3.41Å; Q335-E339 PolarHBondContact O-N 3.35Å; E339-Q341 VanDerWaalsContact C-N 3.3Å; E339-Q341 PolarHBondContact O-N 2.86Å; E339-R342 PolarHBondContact O-N 2.88Å; E339-R342 IonicContact OE1-CZ 3.98Å; E339-R342 IonicContact OE1-NH2 3.12Å; E339-R342 PolarHBondContact OE1-NH2 2.9Å; E339-E343 WeakPolarHBondContact O-CG 3.45Å; E339-E343 PolarHBondContact O-N 2.87Å
340A97Very high97Very high56 Ų5699.6 Ų99.646%0.46351%0.507SS..Hα-helixtrans-61.9-35.5174.900000112.8A336 Q337 H344A336-A340 WeakPolarHBondContact O-CB 3.31Å; A336-A340 PolarHBondContact O-N 3.06Å; Q337-A340 PolarHBondContact O-N 3.4Å; A340-H344 VanDerWaalsContact O-CB 3.3Å; A340-H344 WeakPolarHBondContact O-CB 3.06Å; A340-H344 PolarHBondContact O-N 3.32Å
341Q96.8Very high96.9Very high119 Ų119101.8 Ų101.856%0.55652%0.515SS*.Hα-helixtrans-65.2-44.2172.7-79.3177.6-20.500112Q337 A338 E339 H344 E345Q337-Q341 WeakPolarHBondContact O-CB 3.47Å; Q337-Q341 WeakPolarHBondContact O-CG 3.38Å; Q337-Q341 PolarHBondContact O-N 3.01Å; A338-Q341 PolarHBondContact O-N 2.89Å; E339-Q341 VanDerWaalsContact C-N 3.3Å; E339-Q341 PolarHBondContact O-N 2.86Å; Q341-H344 WeakPolarHBondContact O-CB 3.48Å; Q341-H344 PolarHBondContact O-N 3.39Å; Q341-E345 WeakPolarHBondContact O-CB 3.47Å; Q341-E345 PolarHBondContact O-N 2.94Å
342R97.1Very high96.8Very high151 Ų151100.7 Ų100.757%0.5752%0.516SS*.Hα-helixtrans-64.2-40176.4-177.6-171.366-160.1-3.8112.2A338 E339 E345 G346A338-R342 WeakPolarHBondContact O-CB 3.15Å; A338-R342 PolarHBondContact O-N 2.81Å; E339-R342 PolarHBondContact O-N 2.88Å; E339-R342 IonicContact OE1-CZ 3.98Å; E339-R342 IonicContact OE1-NH2 3.12Å; E339-R342 PolarHBondContact OE1-NH2 2.9Å; R342-E345 PolarHBondContact O-N 2.93Å; R342-G346 PolarHBondContact O-N 3.03Å
343E95.8Very high96.7Very high131 Ų13197.1 Ų97.161%0.61251%0.514SS*.Hα-helixtrans-64.9-42.1173.4-72.8-174.6169.800111.8E339 G346 A347E339-E343 WeakPolarHBondContact O-CG 3.45Å; E339-E343 PolarHBondContact O-N 2.87Å; E343-G346 PolarHBondContact O-N 3.34Å; E343-A347 WeakPolarHBondContact O-CB 3.14Å; E343-A347 PolarHBondContact O-N 3.13Å
344H96.1Very high96.6Very high130 Ų13095.5 Ų95.560%0.60251%0.509SS*.Hα-helixtrans-61.8-46.3174.3177.961.3000111.8A340 Q341 A347 V348A340-H344 VanDerWaalsContact O-CB 3.3Å; A340-H344 WeakPolarHBondContact O-CB 3.06Å; A340-H344 PolarHBondContact O-N 3.32Å; Q341-H344 WeakPolarHBondContact O-CB 3.48Å; Q341-H344 PolarHBondContact O-N 3.39Å; H344-A347 WeakPolarHBondContact O-CB 3.33Å; H344-A347 PolarHBondContact O-N 2.77Å; H344-V348 WeakPolarHBondContact O-CG2 3.48Å; H344-V348 PolarHBondContact O-N 2.72Å
345E95.8Very high96.6Very high113 Ų11394.6 Ų94.653%0.52851%0.507SS..Hα-helixtrans-60.3-46.3176.4-166.6-169.8159.400111.3Q341 R342 A347 V348 Q349Q341-E345 WeakPolarHBondContact O-CB 3.47Å; Q341-E345 PolarHBondContact O-N 2.94Å; R342-E345 PolarHBondContact O-N 2.93Å; E345-A347 VanDerWaalsContact C-N 3.3Å; E345-A347 PolarHBondContact O-N 3.15Å; E345-V348 PolarHBondContact O-N 2.66Å; E345-V348 VanDerWaalsContact O-N 3.12Å; E345-Q349 WeakPolarHBondContact O-CG 3.22Å; E345-Q349 PolarHBondContact O-N 3.23Å; E345-Q349 PolarHBondContact OE1-NE2 3.34Å
346G95.7Very high96.5Very high36 Ų3692.6 Ų92.637%0.37150%0.501SS..Hα-helixtrans-60.9-36.3175.400000113.4R342 E343 L350R342-G346 PolarHBondContact O-N 3.03Å; E343-G346 PolarHBondContact O-N 3.34Å; G346-L350 WeakPolarHBondContact O-CB 3.23Å; G346-L350 PolarHBondContact O-N 3.13Å; G346-L350 VanDerWaalsContact O-N 3.11Å
347A96.1Very high96.4Very high50 Ų5092.9 Ų92.941%0.41350%0.5SS..Hα-helixtrans-68.7-38.2173.500000112.4E343 H344 E345 L350 L351E343-A347 WeakPolarHBondContact O-CB 3.14Å; E343-A347 PolarHBondContact O-N 3.13Å; H344-A347 WeakPolarHBondContact O-CB 3.33Å; H344-A347 PolarHBondContact O-N 2.77Å; E345-A347 VanDerWaalsContact C-N 3.3Å; E345-A347 PolarHBondContact O-N 3.15Å; A347-L350 PolarHBondContact O-N 2.9Å; A347-L351 WeakPolarHBondContact O-CG 3.26Å; A347-L351 PolarHBondContact O-N 2.92Å; A347-L351 VanDerWaalsContact O-N 3.12Å
348V96.9Very high96.3Very high52 Ų5292.6 Ų92.632%0.31550%0.5SS..Hα-helixtrans-64.8-48.5174.2171.40000110.7H344 E345 L350 L351 E352H344-V348 WeakPolarHBondContact O-CG2 3.48Å; H344-V348 PolarHBondContact O-N 2.72Å; E345-V348 PolarHBondContact O-N 2.66Å; E345-V348 VanDerWaalsContact O-N 3.12Å; V348-L350 VanDerWaalsContact C-N 3.26Å; V348-L350 PolarHBondContact O-N 2.89Å; V348-L351 WeakPolarHBondContact O-CA 3.42Å; V348-L351 WeakPolarHBondContact O-CB 3.42Å; V348-L351 PolarHBondContact O-N 3.04Å; V348-E352 HydrophobicContact CG1-CG 4.31Å; V348-E352 WeakPolarHBondContact O-CG 3.44Å; V348-E352 PolarHBondContact O-N 2.83Å
349Q95.5Very high96.3Very high104 Ų10493.7 Ų93.749%0.48650%0.496SS..Hα-helixtrans-57.7-37.5177-69.6175.513.400112.4E345 S353E345-Q349 WeakPolarHBondContact O-CG 3.22Å; E345-Q349 PolarHBondContact O-N 3.23Å; E345-Q349 PolarHBondContact OE1-NE2 3.34Å; Q349-S353 WeakPolarHBondContact O-CB 3.34Å; Q349-S353 PolarHBondContact O-N 2.79Å
350L96.6Very high96.1Very high117 Ų11792.3 Ų92.361%0.61350%0.499SS*.Hα-helixtrans-66.8-38.6174.6-178.862.3000112.5G346 A347 V348 T354G346-L350 WeakPolarHBondContact O-CB 3.23Å; G346-L350 PolarHBondContact O-N 3.13Å; G346-L350 VanDerWaalsContact O-N 3.11Å; A347-L350 PolarHBondContact O-N 2.9Å; V348-L350 VanDerWaalsContact C-N 3.26Å; V348-L350 PolarHBondContact O-N 2.89Å; L350-T354 WeakPolarHBondContact O-CB 3.34Å; L350-T354 PolarHBondContact O-N 3.03Å; L350-T354 PolarHBondContact O-OG1 3.28Å
351L96.6Very high96.1Very high121 Ų12197.4 Ų97.463%0.63451%0.506SS*.Hα-helixtrans-68.9-41.2175.6-71.8170.6000111.8A347 V348 T354 L355A347-L351 WeakPolarHBondContact O-CG 3.26Å; A347-L351 PolarHBondContact O-N 2.92Å; A347-L351 VanDerWaalsContact O-N 3.12Å; V348-L351 WeakPolarHBondContact O-CA 3.42Å; V348-L351 WeakPolarHBondContact O-CB 3.42Å; V348-L351 PolarHBondContact O-N 3.04Å; L351-T354 PolarHBondContact O-N 2.8Å; L351-L355 WeakPolarHBondContact O-CB 3.43Å; L351-L355 PolarHBondContact O-N 2.91Å
352E95.9Very high96.1Very high112 Ų11295.4 Ų95.452%0.52350%0.502SS..Hα-helixtrans-60.9-49.5174.4-70.9178.4156.300111.2V348 T354 L355 D356V348-E352 HydrophobicContact CG1-CG 4.31Å; V348-E352 WeakPolarHBondContact O-CG 3.44Å; V348-E352 PolarHBondContact O-N 2.83Å; E352-T354 VanDerWaalsContact C-N 3.27Å; E352-T354 PolarHBondContact O-N 2.99Å; E352-L355 WeakPolarHBondContact O-CB 3.37Å; E352-L355 PolarHBondContact O-N 3.35Å; E352-D356 PolarHBondContact O-N 2.81Å
353S95.9Very high95.9Very high78 Ų7895.5 Ų95.555%0.54550%0.502SS..Hα-helixtrans-58.9-37.5174.9-178.80000112.9Q349 S357Q349-S353 WeakPolarHBondContact O-CB 3.34Å; Q349-S353 PolarHBondContact O-N 2.79Å; S353-S357 VanDerWaalsContact O-CB 3.32Å; S353-S357 WeakPolarHBondContact O-CB 3.5Å; S353-S357 PolarHBondContact O-N 3.11Å
354T96.1Very high95.9Very high67 Ų6794.4 Ų94.441%0.41150%0.497SS..Hα-helixtrans-67.4-41.9174.6-57.70000111.4L350 L351 E352 S357 M358L350-T354 WeakPolarHBondContact O-CB 3.34Å; L350-T354 PolarHBondContact O-N 3.03Å; L350-T354 PolarHBondContact O-OG1 3.28Å; L351-T354 PolarHBondContact O-N 2.8Å; E352-T354 VanDerWaalsContact C-N 3.27Å; E352-T354 PolarHBondContact O-N 2.99Å; T354-S357 PolarHBondContact O-N 2.91Å; T354-M358 HydrophobicContact CG2-SD 4.47Å; T354-M358 WeakPolarHBondContact O-CG 3.4Å; T354-M358 PolarHBondContact O-N 2.95Å
355L97.1Very high95.8Very high96 Ų9692.9 Ų92.950%0.50349%0.493SS..Hα-helixtrans-64.4-44.2176.8-179.363.7000111.5L351 E352 M358 Q359L351-L355 WeakPolarHBondContact O-CB 3.43Å; L351-L355 PolarHBondContact O-N 2.91Å; E352-L355 WeakPolarHBondContact O-CB 3.37Å; E352-L355 PolarHBondContact O-N 3.35Å; L355-M358 CarbonylContact O-C 3.53Å; L355-M358 WeakPolarHBondContact O-CB 3.23Å; L355-M358 PolarHBondContact O-N 2.91Å; L355-Q359 WeakPolarHBondContact O-CG 3.38Å; L355-Q359 PolarHBondContact O-N 2.93Å
356D96.1Very high95.8Very high99 Ų9992 Ų9253%0.52949%0.489SS..Hα-helixtrans-62.9-41.4176.2-79-17.1000111.8E352 M358 Q359 A360E352-D356 PolarHBondContact O-N 2.81Å; D356-M358 VanDerWaalsContact C-N 3.34Å; D356-M358 PolarHBondContact O-N 2.83Å; D356-Q359 PolarHBondContact O-N 2.97Å; D356-A360 WeakPolarHBondContact O-CB 3.46Å; D356-A360 PolarHBondContact O-N 2.96Å
357S95.6Very high95.7Very high60 Ų6096.5 Ų96.542%0.4250%0.5SS..Hα-helixtrans-61.4-40.7172.8-175.80000112.1S353 T354 A360 R361S353-S357 VanDerWaalsContact O-CB 3.32Å; S353-S357 WeakPolarHBondContact O-CB 3.5Å; S353-S357 PolarHBondContact O-N 3.11Å; T354-S357 PolarHBondContact O-N 2.91Å; S357-A360 PolarHBondContact O-N 2.96Å; S357-R361 WeakPolarHBondContact O-CG 2.99Å; S357-R361 PolarHBondContact O-N 3.43Å; S357-R361 VanDerWaalsContact O-N 3.09Å
358M95.7Very high95.6Very high113 Ų11398.4 Ų98.456%0.55750%0.501SS*.Hα-helixtrans-66.1-42.4172.9-73.417962.800112.2T354 L355 D356 R361 V362T354-M358 HydrophobicContact CG2-SD 4.47Å; T354-M358 WeakPolarHBondContact O-CG 3.4Å; T354-M358 PolarHBondContact O-N 2.95Å; L355-M358 CarbonylContact O-C 3.53Å; L355-M358 WeakPolarHBondContact O-CB 3.23Å; L355-M358 PolarHBondContact O-N 2.91Å; D356-M358 VanDerWaalsContact C-N 3.34Å; D356-M358 PolarHBondContact O-N 2.83Å; M358-R361 PolarHBondContact O-N 3.3Å; M358-V362 WeakPolarHBondContact O-CG2 3.4Å; M358-V362 PolarHBondContact O-N 3.41Å
359Q96Very high95.4Very high77 Ų7799.6 Ų99.636%0.3651%0.51SS..Hα-helixtrans-63.3-40.6175.6-73.2-175.739.200111.9L355 D356 V362 R363L355-Q359 WeakPolarHBondContact O-CG 3.38Å; L355-Q359 PolarHBondContact O-N 2.93Å; D356-Q359 PolarHBondContact O-N 2.97Å; Q359-V362 PolarHBondContact O-N 3.07Å; Q359-R363 WeakPolarHBondContact O-CG 3.48Å; Q359-R363 PolarHBondContact O-N 3.18Å
360A94.8Very high95.2Very high57 Ų57101 Ų10147%0.47151%0.511SS..Hα-helixtrans-60.9-45175.300000111.3D356 S357 V362 R363 E364D356-A360 WeakPolarHBondContact O-CB 3.46Å; D356-A360 PolarHBondContact O-N 2.96Å; S357-A360 PolarHBondContact O-N 2.96Å; A360-V362 PolarHBondContact O-N 3.45Å; A360-R363 PolarHBondContact O-N 2.94Å; A360-E364 PolarHBondContact O-N 2.8Å
361R95.6Very high95Very high163 Ų16397.6 Ų97.662%0.61550%0.497SS*.Hα-helixtrans-62.6-38.4173.5-72.1175.9179.5-166.50.2113S357 M358 E364 L365S357-R361 WeakPolarHBondContact O-CG 2.99Å; S357-R361 PolarHBondContact O-N 3.43Å; S357-R361 VanDerWaalsContact O-N 3.09Å; M358-R361 PolarHBondContact O-N 3.3Å; R361-E364 PolarHBondContact O-N 3.36Å; R361-L365 WeakPolarHBondContact O-CB 3.31Å; R361-L365 VanDerWaalsContact O-CG 3.27Å; R361-L365 WeakPolarHBondContact O-CG 3.49Å; R361-L365 PolarHBondContact O-N 2.89Å
362V96.4Very high94.6Very high76 Ų7697 Ų9746%0.46149%0.491SS..Hα-helixtrans-63.4-45.7174.3169.80000110.5M358 Q359 A360 E364 L365 E366M358-V362 WeakPolarHBondContact O-CG2 3.4Å; M358-V362 PolarHBondContact O-N 3.41Å; Q359-V362 PolarHBondContact O-N 3.07Å; A360-V362 PolarHBondContact O-N 3.45Å; V362-E364 VanDerWaalsContact C-N 3.34Å; V362-E364 PolarHBondContact O-N 3Å; V362-L365 PolarHBondContact O-N 2.77Å; V362-E366 HydrophobicContact CG1-CG 4.38Å; V362-E366 WeakPolarHBondContact O-CB 3.23Å; V362-E366 VanDerWaalsContact O-CG 3.32Å; V362-E366 WeakPolarHBondContact O-CG 3.49Å; V362-E366 PolarHBondContact O-N 3.13Å
363R94.8Very high94.4Very high154 Ų15496 Ų9658%0.58149%0.493SS*.Hα-helixtrans-61.6-40.3176.3-69.2176.5-167.7176.79.4112.4Q359 A360 E366 E367Q359-R363 WeakPolarHBondContact O-CG 3.48Å; Q359-R363 PolarHBondContact O-N 3.18Å; A360-R363 PolarHBondContact O-N 2.94Å; R363-E366 PolarHBondContact O-N 2.84Å; R363-E367 WeakPolarHBondContact O-CB 2.99Å; R363-E367 PolarHBondContact O-N 2.97Å
364E95Very high94.3Very high107 Ų10798.3 Ų98.350%0.550%0.495SS..Hα-helixtrans-62.4-47.1174.3-172.3-172.5174.900111.2A360 R361 V362 E366 E367 Q368A360-E364 PolarHBondContact O-N 2.8Å; R361-E364 PolarHBondContact O-N 3.36Å; V362-E364 VanDerWaalsContact C-N 3.34Å; V362-E364 PolarHBondContact O-N 3Å; E364-E366 VanDerWaalsContact C-N 3.34Å; E364-E366 PolarHBondContact O-N 2.92Å; E364-E367 PolarHBondContact O-N 3.01Å; E364-E367 VanDerWaalsContact O-N 3.16Å; E364-Q368 WeakPolarHBondContact O-CG 3.37Å; E364-Q368 PolarHBondContact O-N 2.64Å; E364-Q368 PolarHBondContact OE1-NE2 2.98Å
365L94.5Very high94Very high98 Ų98101.2 Ų101.251%0.51350%0.504SS..Hα-helixtrans-63.6-36.8175.7-72.2168.4000112.3R361 V362 Q368 C369R361-L365 WeakPolarHBondContact O-CB 3.31Å; R361-L365 VanDerWaalsContact O-CG 3.27Å; R361-L365 WeakPolarHBondContact O-CG 3.49Å; R361-L365 PolarHBondContact O-N 2.89Å; V362-L365 PolarHBondContact O-N 2.77Å; L365-Q368 PolarHBondContact O-N 3.28Å; L365-C369 WeakPolarHBondContact O-CB 3.21Å; L365-C369 PolarHBondContact O-N 3.2Å; L365-C369 PolarHBondContact O-SG 3.43Å
366E94.6Very high93.6Very high95 Ų95103.1 Ų103.144%0.44451%0.508SS..Hα-helixtrans-65.8-36.8172.2-74.1174.2176.100112.4V362 R363 E364 R370V362-E366 HydrophobicContact CG1-CG 4.38Å; V362-E366 WeakPolarHBondContact O-CB 3.23Å; V362-E366 VanDerWaalsContact O-CG 3.32Å; V362-E366 WeakPolarHBondContact O-CG 3.49Å; V362-E366 PolarHBondContact O-N 3.13Å; R363-E366 PolarHBondContact O-N 2.84Å; E364-E366 VanDerWaalsContact C-N 3.34Å; E364-E366 PolarHBondContact O-N 2.92Å; E366-R370 WeakPolarHBondContact O-CB 3.4Å; E366-R370 VanDerWaalsContact O-CG 3.3Å; E366-R370 WeakPolarHBondContact O-CG 3.48Å; E366-R370 PolarHBondContact O-N 3.27Å; E366-R370 PolarHBondContact O-NE 3.23Å; E366-R370 IonicContact OE2-NH2 3.73Å
367E94.9Very high93.3Very high131 Ų131101.1 Ų101.161%0.61250%0.502SS*.Hα-helixtrans-70.3-38.6174.1-171.5168.8-166.400111.9R363 E364 R370 S371R363-E367 WeakPolarHBondContact O-CB 2.99Å; R363-E367 PolarHBondContact O-N 2.97Å; E364-E367 PolarHBondContact O-N 3.01Å; E364-E367 VanDerWaalsContact O-N 3.16Å; E367-R370 PolarHBondContact O-N 3.15Å; E367-S371 WeakPolarHBondContact O-CB 3.08Å; E367-S371 PolarHBondContact O-N 2.83Å; E367-S371 PolarHBondContact O-OG 2.88Å
368Q93.8Very high93Very high90 Ų90103.4 Ų103.442%0.42151%0.509SS..Hα-helixtrans-62.4-42.9170.1-69.7175.613.400111.4E364 L365 S371 Q372E364-Q368 WeakPolarHBondContact O-CG 3.37Å; E364-Q368 PolarHBondContact O-N 2.64Å; E364-Q368 PolarHBondContact OE1-NE2 2.98Å; L365-Q368 PolarHBondContact O-N 3.28Å; Q368-S371 WeakPolarHBondContact CA-OG 3.45Å; Q368-S371 PolarHBondContact O-OG 2.64Å; Q368-S371 VanDerWaalsContact O-OG 3.06Å; Q368-Q372 WeakPolarHBondContact O-CB 3.24Å; Q368-Q372 WeakPolarHBondContact O-CG 3.42Å; Q368-Q372 PolarHBondContact O-N 2.88Å
369C91.8Very high92.4Very high76 Ų76102.2 Ų102.251%0.51450%0.504SS..Hα-helixtrans-65.3-39.8174.3-73.60000112.6L365 T373L365-C369 WeakPolarHBondContact O-CB 3.21Å; L365-C369 PolarHBondContact O-N 3.2Å; L365-C369 PolarHBondContact O-SG 3.43Å; C369-T373 WeakPolarHBondContact O-CB 3.25Å; C369-T373 PolarHBondContact O-N 2.84Å; C369-T373 PolarHBondContact O-OG1 3.37Å
370R92.3Very high91.8Very high133 Ų133101 Ų10150%0.50251%0.508SS..Hα-helixtrans-65.5-49.4176.4-81.8175.3-74.5-155.4-2.8111.6E366 E367 Q372 T373 E374E366-R370 WeakPolarHBondContact O-CB 3.4Å; E366-R370 VanDerWaalsContact O-CG 3.3Å; E366-R370 WeakPolarHBondContact O-CG 3.48Å; E366-R370 PolarHBondContact O-N 3.27Å; E366-R370 PolarHBondContact O-NE 3.23Å; E366-R370 IonicContact OE2-NH2 3.73Å; E367-R370 PolarHBondContact O-N 3.15Å; R370-Q372 PolarHBondContact O-N 2.88Å; R370-T373 CarbonylContact O-C 3.53Å; R370-T373 WeakPolarHBondContact O-CA 3.33Å; R370-T373 WeakPolarHBondContact O-CB 3.48Å; R370-T373 PolarHBondContact O-N 2.98Å; R370-E374 WeakPolarHBondContact O-CG 3.41Å; R370-E374 PolarHBondContact O-N 2.82Å
371S90.9Very high91.3Very high46 Ų46103.9 Ų103.932%0.32251%0.511SS..Hα-helixtrans-64-36.6177.454.20000112.9E367 Q368 E374 Q375E367-S371 WeakPolarHBondContact O-CB 3.08Å; E367-S371 PolarHBondContact O-N 2.83Å; E367-S371 PolarHBondContact O-OG 2.88Å; Q368-S371 WeakPolarHBondContact CA-OG 3.45Å; Q368-S371 PolarHBondContact O-OG 2.64Å; Q368-S371 VanDerWaalsContact O-OG 3.06Å; S371-E374 PolarHBondContact O-N 2.84Å; S371-Q375 VanDerWaalsContact O-CG 3.3Å; S371-Q375 WeakPolarHBondContact O-CG 3.45Å; S371-Q375 PolarHBondContact O-N 2.96Å
372Q89.9Confident90.6Very high108 Ų108101.8 Ų101.851%0.50551%0.509SS..Hα-helixtrans-62.5-41.9168-77.6-172.27.800112.2Q368 R370 E374 Q375 F376Q368-Q372 WeakPolarHBondContact O-CB 3.24Å; Q368-Q372 WeakPolarHBondContact O-CG 3.42Å; Q368-Q372 PolarHBondContact O-N 2.88Å; R370-Q372 PolarHBondContact O-N 2.88Å; Q372-E374 VanDerWaalsContact C-N 3.31Å; Q372-E374 PolarHBondContact O-N 2.96Å; Q372-Q375 WeakPolarHBondContact O-CB 3.35Å; Q372-Q375 PolarHBondContact O-N 2.88Å; Q372-F376 HydrophobicContact CB-CE2 4.49Å; Q372-F376 WeakPolarHBondContact O-CD2 3.37Å; Q372-F376 PolarHBondContact O-N 3.11Å
373T91.8Very high89.6Confident92 Ų92102.8 Ų102.856%0.56451%0.511SS*.Hα-helixtrans-63.4-37.9176.6-57.90000111.6C369 R370 F376 S377C369-T373 WeakPolarHBondContact O-CB 3.25Å; C369-T373 PolarHBondContact O-N 2.84Å; C369-T373 PolarHBondContact O-OG1 3.37Å; R370-T373 CarbonylContact O-C 3.53Å; R370-T373 WeakPolarHBondContact O-CA 3.33Å; R370-T373 WeakPolarHBondContact O-CB 3.48Å; R370-T373 PolarHBondContact O-N 2.98Å; T373-F376 PolarHBondContact O-N 3.43Å; T373-S377 WeakPolarHBondContact O-CB 2.97Å; T373-S377 PolarHBondContact O-N 3Å
374E91.9Very high88.7Confident126 Ų126101.4 Ų101.459%0.58951%0.511SS*.Hα-helixtrans-66-42.1172.9-72.1172.8-17900111.8R370 S371 Q372 F376 S377 L378R370-E374 WeakPolarHBondContact O-CG 3.41Å; R370-E374 PolarHBondContact O-N 2.82Å; S371-E374 PolarHBondContact O-N 2.84Å; Q372-E374 VanDerWaalsContact C-N 3.31Å; Q372-E374 PolarHBondContact O-N 2.96Å; E374-F376 PolarHBondContact O-N 2.88Å; E374-S377 WeakPolarHBondContact O-CB 3.41Å; E374-S377 PolarHBondContact O-N 3.04Å; E374-S377 VanDerWaalsContact O-N 3.14Å; E374-L378 WeakPolarHBondContact O-CG 3.49Å; E374-L378 PolarHBondContact O-N 3.18Å
375Q89.9Confident87.4Confident128 Ų12898.6 Ų98.660%0.59851%0.506SS*.Hα-helixtrans-60.3-43.9172.1-72.11718.200111.8S371 Q372 S377 L378 L379S371-Q375 VanDerWaalsContact O-CG 3.3Å; S371-Q375 WeakPolarHBondContact O-CG 3.45Å; S371-Q375 PolarHBondContact O-N 2.96Å; Q372-Q375 WeakPolarHBondContact O-CB 3.35Å; Q372-Q375 PolarHBondContact O-N 2.88Å; Q375-S377 VanDerWaalsContact C-N 3.32Å; Q375-S377 PolarHBondContact O-N 3.36Å; Q375-L378 PolarHBondContact O-N 3.47Å; Q375-L379 WeakPolarHBondContact O-CB 3.46Å; Q375-L379 PolarHBondContact O-N 2.85Å
376F90Very high85.7Confident137 Ų137101.6 Ų101.660%0.60152%0.515SS*.Hα-helixtrans-65-33.8173-74.4-60.4000112.7Q372 T373 E374 A380Q372-F376 HydrophobicContact CB-CE2 4.49Å; Q372-F376 WeakPolarHBondContact O-CD2 3.37Å; Q372-F376 PolarHBondContact O-N 3.11Å; T373-F376 PolarHBondContact O-N 3.43Å; E374-F376 PolarHBondContact O-N 2.88Å; F376-A380 VanDerWaalsContact O-CB 3.24Å; F376-A380 WeakPolarHBondContact O-CB 3.46Å; F376-A380 PolarHBondContact O-N 2.82Å
377S88.8Confident84.3Confident57 Ų57107.5 Ų107.540%0.39953%0.534SS..Hα-helixtrans-68.2-43.5175.3-174.70000111.9T373 E374 Q375 A380 Q381T373-S377 WeakPolarHBondContact O-CB 2.97Å; T373-S377 PolarHBondContact O-N 3Å; E374-S377 WeakPolarHBondContact O-CB 3.41Å; E374-S377 PolarHBondContact O-N 3.04Å; E374-S377 VanDerWaalsContact O-N 3.14Å; Q375-S377 VanDerWaalsContact C-N 3.32Å; Q375-S377 PolarHBondContact O-N 3.36Å; S377-A380 PolarHBondContact O-N 2.96Å; S377-Q381 WeakPolarHBondContact O-CG 3.48Å; S377-Q381 PolarHBondContact O-N 3.17Å
378L88.8Confident82.5Confident107 Ų107107.6 Ų107.656%0.5654%0.538SS*.Hα-helixtrans-62.2-46.7173.1-70.1171.2000110.9E374 Q375 A380 Q381 E382E374-L378 WeakPolarHBondContact O-CG 3.49Å; E374-L378 PolarHBondContact O-N 3.18Å; Q375-L378 PolarHBondContact O-N 3.47Å; L378-A380 VanDerWaalsContact C-N 3.3Å; L378-A380 PolarHBondContact O-N 2.97Å; L378-Q381 WeakPolarHBondContact O-CB 3.29Å; L378-Q381 PolarHBondContact O-N 3.07Å; L378-Q381 VanDerWaalsContact O-N 3.14Å; L378-E382 PolarHBondContact O-N 3.04Å
379L84.1Confident80.2Confident88 Ų88110.6 Ų110.646%0.46155%0.551SS.*Hα-helixtrans-60.8-38.3174.8-173.270.4000112.1Q375 E382 L383Q375-L379 WeakPolarHBondContact O-CB 3.46Å; Q375-L379 PolarHBondContact O-N 2.85Å; L379-E382 PolarHBondContact O-N 3.25Å; L379-L383 HydrophobicContact CG-CD1 4.34Å; L379-L383 WeakPolarHBondContact O-CB 3.48Å; L379-L383 VanDerWaalsContact O-CG 3.27Å; L379-L383 WeakPolarHBondContact O-CG 3.25Å; L379-L383 PolarHBondContact O-N 2.6Å
380A84.3Confident78Confident53 Ų53113.3 Ų113.344%0.43857%0.568SS.*Hα-helixtrans-67.4-3817500000112.1F376 S377 L378 L383 Q384F376-A380 VanDerWaalsContact O-CB 3.24Å; F376-A380 WeakPolarHBondContact O-CB 3.46Å; F376-A380 PolarHBondContact O-N 2.82Å; S377-A380 PolarHBondContact O-N 2.96Å; L378-A380 VanDerWaalsContact C-N 3.3Å; L378-A380 PolarHBondContact O-N 2.97Å; A380-L383 PolarHBondContact O-N 2.76Å; A380-Q384 VanDerWaalsContact O-CB 3.27Å; A380-Q384 WeakPolarHBondContact O-CB 3.45Å; A380-Q384 PolarHBondContact O-N 3.11Å
381Q82.9Confident75.6Confident116 Ų116109.8 Ų109.854%0.54257%0.573SS.*Hα-helixtrans-66.4-41.6173-73.1175.73900111.7S377 L378 Q384 A385S377-Q381 WeakPolarHBondContact O-CG 3.48Å; S377-Q381 PolarHBondContact O-N 3.17Å; L378-Q381 WeakPolarHBondContact O-CB 3.29Å; L378-Q381 PolarHBondContact O-N 3.07Å; L378-Q381 VanDerWaalsContact O-N 3.14Å; Q381-Q384 CarbonylContact O-C 3.59Å; Q381-Q384 PolarHBondContact O-N 3.43Å; Q381-A385 WeakPolarHBondContact O-CB 3.5Å; Q381-A385 PolarHBondContact O-N 3.46Å
382E81.7Confident73.5Confident119 Ų119114.2 Ų114.256%0.55660%0.601SS**Hα-helixtrans-61-48.3172.5-73.7-176.6171.700111.3L378 L379 Q384 A385 F386L378-E382 PolarHBondContact O-N 3.04Å; L379-E382 PolarHBondContact O-N 3.25Å; E382-Q384 PolarHBondContact O-N 2.83Å; E382-A385 WeakPolarHBondContact O-CB 3.27Å; E382-A385 PolarHBondContact O-N 3.27Å; E382-A385 VanDerWaalsContact O-N 3.13Å; E382-F386 VanDerWaalsContact O-CD2 3.3Å; E382-F386 WeakPolarHBondContact O-CD2 3.42Å; E382-F386 PolarHBondContact O-N 3Å
383L76.1Confident71.4Confident97 Ų97116.8 Ų116.851%0.50862%0.617SS.*Hα-helixtrans-61.8-31.5175.3-73.2170.9000112.8L379 A380 R387L379-L383 HydrophobicContact CG-CD1 4.34Å; L379-L383 WeakPolarHBondContact O-CB 3.48Å; L379-L383 VanDerWaalsContact O-CG 3.27Å; L379-L383 WeakPolarHBondContact O-CG 3.25Å; L379-L383 PolarHBondContact O-N 2.6Å; A380-L383 PolarHBondContact O-N 2.76Å; L383-R387 WeakPolarHBondContact O-CG 3.46Å; L383-R387 PolarHBondContact O-N 2.89Å
384Q75.4Confident69.1Low125 Ų125119.5 Ų119.558%0.58463%0.628SS**Hα-helixtrans-76.4-34.3174.5-170.7165.6-6.800112.1A380 Q381 E382 R387 L388A380-Q384 VanDerWaalsContact O-CB 3.27Å; A380-Q384 WeakPolarHBondContact O-CB 3.45Å; A380-Q384 PolarHBondContact O-N 3.11Å; Q381-Q384 CarbonylContact O-C 3.59Å; Q381-Q384 PolarHBondContact O-N 3.43Å; E382-Q384 PolarHBondContact O-N 2.83Å; Q384-R387 PolarHBondContact O-N 3.49Å; Q384-L388 PolarHBondContact O-N 3.29Å
385A66.5Low66.7Low48 Ų48120 Ų12040%0.39763%0.634SS.*Hα-helixtrans-65-42.217000000111.3Q381 E382 R387 L388 H389Q381-A385 WeakPolarHBondContact O-CB 3.5Å; Q381-A385 PolarHBondContact O-N 3.46Å; E382-A385 WeakPolarHBondContact O-CB 3.27Å; E382-A385 PolarHBondContact O-N 3.27Å; E382-A385 VanDerWaalsContact O-N 3.13Å; A385-R387 PolarHBondContact O-N 3.26Å; A385-L388 PolarHBondContact O-N 2.75Å; A385-H389 PolarHBondContact O-CD2 3.45Å
386F60.4Low64.3Low161 Ų161120.8 Ų120.871%0.70664%0.642SS**Hα-helixtrans-57.6-34.3170.7-89.6-72.5000112.6E382 L388E382-F386 VanDerWaalsContact O-CD2 3.3Å; E382-F386 WeakPolarHBondContact O-CD2 3.42Å; E382-F386 PolarHBondContact O-N 3Å; F386-L388 VanDerWaalsContact C-N 3.32Å; F386-L388 PolarHBondContact O-N 2.95Å
387R64Low61.5Low219 Ų219119.6 Ų119.683%0.82665%0.646SS**Hα-helixtrans-75.1-14.9175.2-76.5176.6173.5156.20.6114.6L383 Q384 A385L383-R387 WeakPolarHBondContact O-CG 3.46Å; L383-R387 PolarHBondContact O-N 2.89Å; Q384-R387 PolarHBondContact O-N 3.49Å; A385-R387 PolarHBondContact O-N 3.26Å
388L57.3Low59Low134 Ų134122.6 Ų122.670%0.70267%0.667SS**THydrogen-bonded Turntrans-95.21.8177.8-69.9170.4000113.4Q384 A385 F386 P390Q384-L388 PolarHBondContact O-N 3.29Å; A385-L388 PolarHBondContact O-N 2.75Å; F386-L388 VanDerWaalsContact C-N 3.32Å; F386-L388 PolarHBondContact O-N 2.95Å; L388-P390 WeakPolarHBondContact O-CD 3.39Å
389H46.1Very low56.4Low152 Ų152121.2 Ų121.270%0.70467%0.671SS**  trans-104.2103.9173.6-82.2-73.2000112.5A385 G391A385-H389 PolarHBondContact O-CD2 3.45Å; H389-G391 PolarHBondContact O-N 3.32Å
390P44.1Very low54.2Low134 Ų134124.3 Ų124.387%0.8769%0.687SS**  trans-79.5100.9166.531.1-31.2000110.2L388L388-P390 WeakPolarHBondContact O-CD 3.39Å
391G42.7Very low51.6Low59 Ų59128.1 Ų128.161%0.60870%0.7SS**  trans-142.7140.9176.200000111.8H389H389-G391 PolarHBondContact O-N 3.32Å
392P47.3Very low49.2Very low138 Ų138128.1 Ų128.190%0.89671%0.712SS**  trans-75.6157.7-171.7-15.931.8000115.1
393L46.4Very low46.9Very low163 Ų163125.5 Ų125.585%0.85372%0.717SS**  trans-82.2141.1175.7-73.7153.4000112.8
394D42.4Very low45.1Very low148 Ų148126.5 Ų126.579%0.79173%0.732SS**  trans-155.9122.7146-89.7-39.2000106.1
395L41.8Very low43.2Very low138 Ų138127.9 Ų127.972%0.72374%0.742SS**  62.6118.564.7-64.6174.9000111.4
396L39Very low41.6Very low143 Ų143128.3 Ų128.375%0.74975%0.751SS**  cis-157.915315.1-91.9152.9000112.9
397T31.7Very low40.2Very low112 Ų112128.3 Ų128.369%0.68776%0.759SS**  trans48.7111.8136.6-49.90000122.8
398S37Very low38.7Very low121 Ų121123.6 Ų123.685%0.84676%0.758SS**  trans-158.3106.1134.2-72.70000106.5
399A34.3Very low38.2Very low78 Ų78122.8 Ų122.865%0.64576%0.761SS**  84106.956.500000113.8
400L36.8Very low38.3Very low152 Ų152120.6 Ų120.680%0.79676%0.76SS**  trans70.9143.6162.1-54.9164.7000115.4
401D29.7Very low39.1Very low133 Ų133120 Ų12071%0.71176%0.756SS**  cis-141.9149.116.3-106.4-45.2000115.4
402C32Very low39.2Very low116 Ų116123.3 Ų123.378%0.78477%0.767SS**  trans9.6154.4137.5-53.40000122.3
403G33.3Very low38.5Very low65 Ų65122.3 Ų122.367%0.6776%0.762SS**  cis-143.5158.88.600000113.1
404S38.1Very low37.8Very low117 Ų117120.7 Ų120.782%0.81876%0.763SS**  66.1132.985-700000113.4
405L36.4Very low37.3Very low154 Ų154119.3 Ų119.381%0.80676%0.763SS**  cis-153.5146.111-158.359000107.6
406G32.5Very low36.9Very low57 Ų57117.8 Ų117.859%0.58877%0.765SS**  55.9124.896.700000113.7
407D31.7Very low36.8Very low161 Ų161118.7 Ų118.786%0.86177%0.768SS**  cis-152.215926.4-76.6-44.4000114.1
408C31.7Very low37.3Very low120 Ų120119.1 Ų119.181%0.81177%0.773SS**  trans-103.4-178.3158.2-61.20000108.5
409P48.3Very low37.1Very low118 Ų118121.7 Ų121.777%0.76677%0.772SS**  cis-129.7-141-7.334.8-10.8000109.2
410P46.8Very low38.2Very low105 Ų105122.6 Ų122.668%0.68277%0.771SS**  cis-118178.8-36.417.76.2000112.7
411P60.6Low37.8Very low122 Ų122120.5 Ų120.579%0.79277%0.768SS**  trans-78.8165.2177.734.5-38.1000113.7
412P45.5Very low38.1Very low128 Ų128126.3 Ų126.383%0.83178%0.78SS**  -147.4-176.7110.539.4-23.4000115.4
413C33.2Very low37.9Very low118 Ų118124.5 Ų124.580%0.79778%0.78SS**  trans-74.8176.1-175.9-53.40000116
414C30.8Very low38Very low128 Ų128127.2 Ų127.287%0.86579%0.79SS**  trans109.3152.1151.1-64.10000119
415C32.7Very low37.6Very low119 Ų119124.9 Ų124.980%0.80478%0.784SS**  trans-73.5151.9-162.2-43.30000115
416S32.3Very low38.3Very low107 Ų107123.6 Ų123.675%0.74879%0.785SS**  166.4135.2114.4-72.40000114.1
417I36.5Very low38.7Very low161 Ų161128.5 Ų128.583%0.82679%0.79SS**  trans23.6124.8133.7-56.2175.1000116.2
418P43.7Very low38.5Very low121 Ų121125.7 Ų125.779%0.78678%0.775SS**  -156.9172.275.444.2-24.2000120.2
419Q32.2Very low38.8Very low176 Ų176126.7 Ų126.782%0.82277%0.772SS**  trans-79.4-171.9156.8-113.5-160.38.700110.8
420P58.3Low38.3Very low96 Ų96127.2 Ų127.262%0.62377%0.768SS**  cis-137.1-169-21.826.7-2.1000114.2
421C28.1Very low37.9Very low109 Ų109129.1 Ų129.174%0.73677%0.772SS**  trans118.8109.9139.2-73.50000122.2
422R34.3Very low37.5Very low255 Ų255129 Ų12996%0.96277%0.77SS**  trans63.1137.7130.2-78.7-171.3178.8-116.80.3124.6
423G29.2Very low38Very low77 Ų77128.9 Ų128.979%0.79477%0.77SS**  trans138134.8151.100000112
424S35Very low37.7Very low123 Ų123126.7 Ų126.786%0.8677%0.767SS**  cis-158.2156.22.651.80000111.2
425G29.7Very low38Very low68 Ų68126.2 Ų126.270%0.70177%0.765SS**  trans-82.6-151.5173.200000113.5
426P52.1Low39.3Very low127 Ų127126.7 Ų126.783%0.82577%0.767SS**  cis-130.4-156.921.643-23.1000111.7
427K39Very low39.6Very low159 Ų159125.3 Ų125.369%0.69177%0.769SS**  cis-159.4170.7-0.4-151178.1153.9-99.80109.6
428D29.2Very low39.4Very low102 Ų102129.2 Ų129.255%0.54577%0.774SS.*  trans69.8149.9154.5-64.1-33.6000118.2
429L36.6Very low38.6Very low142 Ų142127.8 Ų127.874%0.74377%0.766SS**  cis-159.1147.5-19.4-94.2163.2000105.4
430D37.8Very low38.7Very low128 Ų128125.9 Ų125.968%0.68477%0.766SS**  cis-156.4-133.3-13.3-161.2-105.6000110.4
431L39.8Very low37.9Very low146 Ų146127.5 Ų127.576%0.76478%0.777SS**  trans-140.6-171-161.6-71.4171.5000111.8
432P51.7Low38.1Very low118 Ų118131.8 Ų131.877%0.76678%0.783SS**  cis-147.2-155.817.642.8-16.4000116.2
433P55.1Low37.9Very low126 Ų126124.9 Ų124.982%0.81877%0.774SS**  -137.4177.8-80.144.2-27.4000115.9
434G27.8Very low38Very low72 Ų72127 Ų12774%0.74278%0.776SS**  trans164.999.4158.400000117.6
435S37.1Very low37.7Very low118 Ų118129.7 Ų129.783%0.82578%0.775SS**  trans-164.9-170.1170.9-38.10000108.4
436P60.1Low38.5Very low129 Ų129131.4 Ų131.484%0.83877%0.774SS**  cis-133.6-168.2-20.633.5-11.3000113
437G38.4Very low37.2Very low78 Ų78129.4 Ų129.480%0.80477%0.768SS**  trans-100-168.617700000116.9
438R31.4Very low37.6Very low244 Ų244127.8 Ų127.892%0.92177%0.774SS**  trans-157.2168.2171.1-146.8177.3179.9-83.5-1.3114.5
439C27.1Very low37.5Very low91 Ų91127.1 Ų127.162%0.61578%0.782SS**  trans-116.3152.9-155.6-34.70000117.4
440T34.9Very low37Very low136 Ų136126.5 Ų126.583%0.83479%0.785SS**  trans63.2162.2146.457.10000119.9
441P42.4Very low36.6Very low130 Ų130127.5 Ų127.584%0.84479%0.789SS**  cis-140.8-160.920.442.2-19.4000117.9
442K31.7Very low35.9Very low199 Ų199127 Ų12787%0.86579%0.793SS**  trans-80.7151.9-168-65.8173.9170.6177.10117.5
443S30.7Very low34.8Very low110 Ų110124.7 Ų124.777%0.76979%0.79SS**  153.4159.1107.460.50000117.3
444S30.5Very low33.5Very low121 Ų121125.5 Ų125.585%0.84679%0.792SS**  trans75.1131.8162.742.10000123.3
445E29.2Very low33.9Very low180 Ų180127.5 Ų127.584%0.84179%0.792SS**  trans-86.8-175.7167.4-110.9-169.4102.700111.9
446P45.1Very low33.5Very low104 Ų104133.2 Ų133.268%0.67580%0.796SS**  cis-137.8166.69.838.4-18.9000118.5
447A26.3Very low32.5Very low85 Ų85138.2 Ų138.270%0.70280%0.798SS**  trans38.7163.8139.200000124.2
448P47.6Very low32Very low124 Ų124141.4 Ų141.481%0.80580%0.802SS**  cis-135.1174.8-37.437.6-21.5000113.9
449A26.5Very low31.8Very low88 Ų88133.6 Ų133.673%0.72779%0.79SS**  151116.5128.400000116.6
450T26.6Very low32.2Very low130 Ų130139.2 Ų139.280%0.79880%0.804SS**  trans68.9130.314614.90000124.7
451L28.4Very low31.8Very low148 Ų148142.3 Ų142.378%0.77581%0.805SS**  trans96126.1144.9-67.5-179.7000122.2
452T26.4Very low31Very low136 Ų136140.3 Ų140.383%0.83480%0.8SS**  trans64.5123.3148.1510000121.6
453G26.7Very low30.6Very low69 Ų69139.5 Ų139.571%0.71180%0.799SS**  trans134.7125.7134.600000117.5
454V29.7Very low30.5Very low143 Ų143139.2 Ų139.287%0.86780%0.797SS**  trans73.4130.6156.6-166.10000118.1
455P35.8Very low30.3Very low114 Ų114140.8 Ų140.874%0.7480%0.796SS**  trans-99.2172.5175.439.3-35.2000114.5
456R28.3Very low30.2Very low238 Ų238136.6 Ų136.690%0.89879%0.786SS**  trans80.2101.7150.9-153.8178.8-167.1-172.73.4118.6
457R39.2Very low29.3Very low235 Ų235139.1 Ų139.189%0.88779%0.794SS**  -169.3160.5113.7-107.3173.6165.8176.6-3111.9
458T27.6Very low29.3Very low145 Ų145139.6 Ų139.689%0.8979%0.792SS**  trans106.1152179.663.60000114.5
459A27.6Very low28.6Very low80 Ų80138.9 Ų138.966%0.66179%0.79SS**  cis174.4138.5-30.900000106.4
460K34.6Very low28.5Very low208 Ų208142.2 Ų142.290%0.90479%0.79SS**  trans36.9122.3152.1-59.6176.5178.5177.70118.8
461K27.3Very low29Very low201 Ų201140 Ų14087%0.87478%0.78SS**  154.4153.998.5-166.1-177.4175.6-174.70112.5
462A25.3Very low29.2Very low88 Ų88140.4 Ų140.473%0.72778%0.778SS**  trans94.9122149.400000118.5
463E24.4Very low29.6Very low183 Ų183138.4 Ų138.486%0.85577%0.769SS**  trans-57.9147.1148.8-54.9154.2106.800110.1
464S27Very low30Very low104 Ų104141.9 Ų141.973%0.72777%0.77SS**  173.5116.2119.5-77.30000113.3
465L27.6Very low30.2Very low154 Ų154142.1 Ų142.181%0.80676%0.761SS**  trans64.2101.2134.2-57.5175000120.7
466S27.5Very low30.1Very low91 Ų91143.1 Ų143.164%0.63676%0.76SS**  99.3138.9111.2-64.60000121.3
467N25Very low29.9Very low157 Ų157137.4 Ų137.484%0.8476%0.757SS**  trans78.2140158.5-54.7-22.3000116.3
468S27.1Very low30.2Very low96 Ų96132.3 Ų132.367%0.67176%0.755SS**  cis-174.6130.6-3.5147.90000110.5
469S31.9Very low30.3Very low108 Ų108135.1 Ų135.176%0.75575%0.754SS**  trans59.3156.1153-47.80000118
470H25.7Very low30.4Very low158 Ų158136.9 Ų136.973%0.73176%0.762SS**  cis-160.4133.112.9-160.4-108.1000109.3
471S36.2Very low30.2Very low83 Ų83132.9 Ų132.958%0.5876%0.759SS**  trans58.9155.6143.5-66.10000122.4
472E31.9Very low31Very low158 Ų158129.5 Ų129.574%0.73876%0.758SS**  cis-160.81457.6-128.9162.2128.900114.3
473S35.6Very low31.6Very low94 Ų94131.4 Ų131.466%0.65776%0.76SS**  trans72.2148.3138.388.80000119.3
474I34Very low32.6Very low141 Ų141128.2 Ų128.272%0.72376%0.755SS**  cis-146.6119.97-72.4-171.3000106.8
475H35.7Very low32.9Very low148 Ų148131.4 Ų131.469%0.68576%0.759SS**  64.5147.189.5-60.4-50.5000116.8
476N32Very low33.2Very low135 Ų135131 Ų13172%0.72276%0.762SS**  cis-170.9161.1-8.3-102.3-12.5000110.4
477S25.6Very low33.6Very low118 Ų118133.8 Ų133.883%0.82577%0.77SS**  trans-155.7153.2137.6-85.60000111.6
478P44.3Very low34.1Very low129 Ų129133.3 Ų133.384%0.83877%0.773SS**  trans-116.1170.1-151.638.1-25.2000117
479K31.3Very low34.2Very low203 Ų203133 Ų13388%0.88378%0.776SS**  trans-97.5162.9178.4-56.5167.8175.6175.90112.1
480S29.1Very low34.3Very low117 Ų117132.9 Ų132.982%0.81878%0.775SS**  -17513312749.90000114.6
481C30.5Very low34.5Very low124 Ų124133.3 Ų133.384%0.83878%0.778SS**  trans-108.3170.3158.3-51.30000109.2
482P44.6Very low34.7Very low131 Ų131135.8 Ų135.885%0.85179%0.789SS**  -148.2168.8104.937.1-20.1000116.3
483T36.3Very low35Very low127 Ų127137.3 Ų137.378%0.77980%0.796SS**  trans-91.4179.1179.855.70000112.7
484P45.5Very low35.1Very low117 Ų117140.9 Ų140.976%0.7680%0.803SS**  -145.3177.582.637-17.4000116.6
485E32.9Very low35.1Very low171 Ų171142 Ų14280%0.79981%0.809SS**  trans-82.3163.1-173.5-48.6126.1132.300114.7
486V35.3Very low35.5Very low144 Ų144144 Ų14487%0.87382%0.818SS**  -159.6138.5121.6-164.60000110.2
487D34.8Very low35.4Very low150 Ų150142.5 Ų142.580%0.80283%0.825SS**  trans-67.6149.4168.2-58.6-76.3000114.2
488T35.8Very low35.8Very low148 Ų148144.1 Ų144.191%0.90883%0.825SS**  trans-159.2147.1133.3-58.70000109.2
489A29.3Very low35.1Very low88 Ų88142.4 Ų142.473%0.72782%0.816SS**  trans-98172-172.500000114.7
490S34.4Very low35Very low106 Ų106138.7 Ų138.774%0.74181%0.81SS**  trans92.6153.7147.9-151.30000119
491E30.4Very low35.1Very low167 Ų167138 Ų13878%0.7881%0.805SS**  trans72.7114.7169.6-50.3-174132.300113.8
492V39.3Very low34.9Very low136 Ų136140.5 Ų140.582%0.82481%0.809SS**  61103.854.9-39.20000114.3
493E38.2Very low34.2Very low189 Ų189141.7 Ų141.788%0.88381%0.808SS**  trans-165.5128.7160-96.7175.9169.900102.7
494E37.5Very low34.3Very low170 Ų170142.1 Ų142.179%0.79481%0.812SS**  cis46.595.332.3-81.1-164.4-174.200112.5
495L35.2Very low33.4Very low163 Ų163141.2 Ų141.285%0.85382%0.815SS**  -178.7145.8100.1-91172.5000112.6
496E43Very low33.2Very low190 Ų190137.8 Ų137.889%0.88882%0.816SS**  trans-70.4141.5159.2-57.3169.3136.100109.4
497A31.4Very low33.7Very low105 Ų105136.4 Ų136.487%0.86881%0.81SS**  trans-152.4131.8155.200000111.6
498D33.1Very low33.4Very low151 Ų151139 Ų13981%0.80782%0.817SS**  trans-83.5157.2-172.5-144.7-35.5000113
499S30Very low33Very low94 Ų94135.7 Ų135.766%0.65781%0.812SS**  trans71.9114.2140.4-77.50000124.1
500V27.8Very low33Very low124 Ų124136.8 Ų136.875%0.75282%0.815SS**  94.195.4129.9-177.40000120.6
501S31.1Very low33.2Very low103 Ų103144.3 Ų144.372%0.7283%0.827SS**  51.6121.8123.3-500000123.2
502L26.3Very low33.3Very low177 Ų177138 Ų13893%0.92781%0.807SS**  trans-137.9110.8134.6-76.2180000111.2
503L30.2Very low33.4Very low156 Ų156134.7 Ų134.782%0.81780%0.8SS**  trans-82.5158.6151.9-68.9171.7000108.1
504P39.8Very low33.9Very low135 Ų135128.4 Ų128.488%0.87778%0.78SS**  -150.6123.992.334.9-15.7000115.7
505A25.2Very low34.7Very low98 Ų98130 Ų13081%0.8178%0.779SS**  trans-155125.5142.700000109.2
506A30.2Very low36.2Very low99 Ų99125.8 Ų125.882%0.81876%0.757SS**  trans-148.6169.5176.200000107.8
507P44.5Very low37.7Very low116 Ų116121.3 Ų121.375%0.75374%0.736SS**  cis-126151.1-1834.6-19.6000112.6
508E27.9Very low40Very low203 Ų203120.2 Ų120.295%0.94972%0.718SS**  trans-109.7103.8149.2-74.7-145.6152.100109.4S510E508-S510 PolarHBondContact O-N 3.33Å
509G28.9Very low42.3Very low79 Ų79117.1 Ų117.181%0.81470%0.698SS**  trans-82.4104.3174.900000110.5
510S28.1Very low45Very low111 Ų111116.8 Ų116.878%0.77669%0.688SS**  trans-100.891152-159.80000108.8E508 G512E508-S510 PolarHBondContact O-N 3.33Å; S510-G512 PolarHBondContact O-N 3.01Å
511R40Very low47.9Very low265 Ų265111.2 Ų111.2100%166%0.655SS**  trans-75.271.9165.6-149-177-167.7-1364.1108
512G31.4Very low50.4Low35 Ų35115 Ų11536%0.36165%0.653SS.*  trans-135.7122.8169.700000107S510S510-G512 PolarHBondContact O-N 3.01Å
513G41.6Very low53.1Low66 Ų66114.2 Ų114.268%0.6864%0.639SS**  trans-53.2146.1173.900000109.9R515G513-R515 VanDerWaalsContact O-CG 3.29Å; G513-R515 WeakPolarHBondContact O-CG 3.34Å; G513-R515 PolarHBondContact O-N 3.13Å
514A47.8Very low55.8Low56 Ų56110.5 Ų110.546%0.46363%0.626SS.*  trans-48.4107.5-179.200000108.7I516 H647A514-I516 PolarHBondContact O-N 3.23Å; A514-H647 WeakPolarHBondContact CB-O 3.12Å
515R54.3Low57.9Low205 Ų205108.4 Ų108.477%0.77460%0.602SS**  trans-83.1112.1-176.1-59.3-170.5-165.5-164.14.8105.3G513 Q517G513-R515 VanDerWaalsContact O-CG 3.29Å; G513-R515 WeakPolarHBondContact O-CG 3.34Å; G513-R515 PolarHBondContact O-N 3.13Å; R515-Q517 WeakPolarHBondContact O-CG 3.29Å; R515-Q517 PolarHBondContact O-N 2.86Å
516I67.1Low60.6Low74 Ų74106.6 Ų106.638%0.37958%0.578SS.*  trans-46.8115168.4-47.7168000107.4A514 Y548 Y550A514-I516 PolarHBondContact O-N 3.23Å; I516-Y548 HydrophobicContact CG2-CD1 3.55Å; I516-Y548 HydrophobicContact CG2-CG 3.99Å; I516-Y550 HydrophobicContact CB-CE2 4.28Å; I516-Y550 HydrophobicContact CD1-CE1 4.16Å; I516-Y550 HydrophobicContact CD1-CE2 4.18Å; I516-Y550 WeakPolarHBondContact CD1-OH 3.05Å; I516-Y550 HydrophobicContact CG1-CD1 4.42Å; I516-Y550 HydrophobicContact CG1-CE1 3.79Å; I516-Y550 HydrophobicContact CG1-CE2 3.89Å; I516-Y550 HydrophobicContact CG2-CD2 3.95Å; I516-Y550 HydrophobicContact CG2-CE2 3.49Å; I516-Y550 VanDerWaalsContact CG2-CE2 3.49Å
517Q73.8Confident63.1Low96 Ų96101.9 Ų101.945%0.44954%0.539SS..EExtended strand (participates in β ladder)trans-89.5120.5-178.7-65.7-172.561.600107.9R515 F519 I549R515-Q517 WeakPolarHBondContact O-CG 3.29Å; R515-Q517 PolarHBondContact O-N 2.86Å; Q517-F519 HydrophobicContact CB-CD2 4.05Å; Q517-F519 HydrophobicContact CB-CE2 3.39Å; Q517-F519 HydrophobicContact CB-CZ 4.13Å; Q517-F519 HydrophobicContact CG-CE2 4.45Å; Q517-I549 PolarHBondContact N-O 3.07Å; Q517-I549 PolarHBondContact O-N 3.33Å
518V80.9Confident64.6Low82 Ų82103.1 Ų103.150%0.49753%0.533SS..EExtended strand (participates in β ladder)trans-90.5115.8177.9-1650000108.4Y546 I547 Y548V518-Y546 HydrophobicContact CG1-CD1 3.78Å; V518-Y546 HydrophobicContact CG1-CG 4.18Å; V518-I547 WeakPolarHBondContact CA-O 3.47Å; V518-Y548 HydrophobicContact CG1-CD1 4.48Å; V518-Y548 HydrophobicContact CG1-CE1 4.21Å; V518-Y548 HydrophobicContact CG2-CD1 3.86Å; V518-Y548 HydrophobicContact CG2-CE1 3.69Å
519F80.4Confident67Low86 Ų86101.1 Ų101.138%0.37752%0.524SS..EExtended strand (participates in β ladder)trans-110.6150.2174.1-67.6-92.2000110.1Q517 Y546 I547 I549Q517-F519 HydrophobicContact CB-CD2 4.05Å; Q517-F519 HydrophobicContact CB-CE2 3.39Å; Q517-F519 HydrophobicContact CB-CZ 4.13Å; Q517-F519 HydrophobicContact CG-CE2 4.45Å; F519-Y546 CarbonylContact O-C 3.56Å; F519-Y546 VanDerWaalsContact O-CA 3.3Å; F519-Y546 WeakPolarHBondContact O-CA 3.27Å; F519-I547 HydrophobicContact CB-CD1 4.36Å; F519-I547 HydrophobicContact CB-CG1 3.87Å; F519-I547 PolarHBondContact N-O 2.74Å; F519-I547 PolarHBondContact O-N 3.4Å; F519-I549 HydrophobicContact CD2-CB 4.23Å; F519-I549 HydrophobicContact CD2-CD1 3.49Å; F519-I549 VanDerWaalsContact CD2-CD1 3.49Å; F519-I549 HydrophobicContact CD2-CG1 3.89Å; F519-I549 HydrophobicContact CE2-CB 4.16Å; F519-I549 HydrophobicContact CE2-CD1 3.74Å; F519-I549 HydrophobicContact CE2-CG1 4.23Å; F519-I549 HydrophobicContact CG-CD1 4.27Å
520L86.8Confident68.6Low86 Ų8698.7 Ų98.745%0.4550%0.499SS..EExtended strand (participates in β ladder)trans-96.3119.9172.9-177.870.1000108.8R522 G544 Y546L520-R522 PolarHBondContact O-N 3.13Å; L520-R522 VanDerWaalsContact O-N 3.1Å; L520-G544 VanDerWaalsContact CD1-O 3.31Å; L520-G544 WeakPolarHBondContact CD1-O 3.37Å; L520-Y546 HydrophobicContact CB-CD1 4.36Å; L520-Y546 HydrophobicContact CB-CE1 4.26Å; L520-Y546 HydrophobicContact CD1-CD1 4.04Å; L520-Y546 HydrophobicContact CD1-CD2 4.46Å; L520-Y546 HydrophobicContact CD1-CE1 3.84Å; L520-Y546 HydrophobicContact CD1-CE2 4.25Å; L520-Y546 HydrophobicContact CD1-CG 4.37Å
521A89.1Confident69.9Low7 Ų7100.1 Ų100.16%0.05851%0.506CS..  trans-61.5111170.800000109L541 T542 G544 E545A521-L541 HydrophobicContact CB-CB 4.23Å; A521-T542 VanDerWaalsContact CB-O 3.31Å; A521-T542 WeakPolarHBondContact CB-O 3.38Å; A521-G544 PolarHBondContact O-N 2.91Å; A521-E545 WeakPolarHBondContact CB-O 3.45Å; A521-E545 PolarHBondContact N-O 3.41Å
522R83.8Confident71.1Confident184 Ų18490.4 Ų90.469%0.69447%0.474SS*.  trans-83.3-17.6-176.6-68.7-17162-142.2-12113.8L520L520-R522 PolarHBondContact O-N 3.13Å; L520-R522 VanDerWaalsContact O-N 3.1Å
523Y83.1Confident72.7Confident159 Ų15997.8 Ų97.862%0.62450%0.499SS*.SBendtrans-143.2149.9-176.7-57.3-75.7000107.3
524S87Confident73.8Confident79 Ų7998.6 Ų98.655%0.55249%0.487SS*.  trans-74.1144.1168.4-54.20000109.2L541 A543S524-L541 CarbonylContact C-O 3.53Å; S524-L541 WeakPolarHBondContact CA-O 2.98Å; S524-L541 WeakPolarHBondContact CB-O 3.45Å; S524-A543 PolarHBondContact OG-N 3.3Å
525Y83.4Confident75Confident91 Ų9197.1 Ų97.136%0.35747%0.473SS..BIsolated β-bridgetrans-134.3122.5177.4-179.4-112.3000109P527 E538 P540 L541Y525-P527 HydrophobicContact CD1-CG 4.17Å; Y525-P527 HydrophobicContact CE1-CB 4.29Å; Y525-P527 HydrophobicContact CE1-CG 3.86Å; Y525-E538 PolarHBondContact OH-OE2 3.32Å; Y525-P540 WeakPolarHBondContact O-CA 3.27Å; Y525-L541 PolarHBondContact N-O 2.76Å; Y525-L541 PolarHBondContact O-N 3.01Å
526N82.8Confident75.7Confident59 Ų5993.7 Ų93.732%0.31647%0.466SS..  trans-109.8109172.6-176.32.1000108.4F528 E529N526-F528 PolarHBondContact O-N 3.23Å; N526-F528 VanDerWaalsContact O-N 3.13Å; N526-F528 PolarHBondContact OD1-N 2.89Å; N526-E529 HydrophobicContact CB-CB 4.22Å; N526-E529 HydrophobicContact CB-CG 4.09Å; N526-E529 PolarHBondContact ND2-OE1 2.93Å; N526-E529 PolarHBondContact O-N 3.28Å
527P81.9Confident75.7Confident0 Ų093.5 Ų93.50%048%0.475CS..G310 helixtrans-52.7-33.8178.4-29.335.8000113.4Y525 E529 G530 P535 E538 P540Y525-P527 HydrophobicContact CD1-CG 4.17Å; Y525-P527 HydrophobicContact CE1-CB 4.29Å; Y525-P527 HydrophobicContact CE1-CG 3.86Å; P527-E529 VanDerWaalsContact C-N 3.27Å; P527-E529 PolarHBondContact O-N 3.47Å; P527-G530 PolarHBondContact O-N 3.38Å; P527-P535 HydrophobicContact CB-CB 3.88Å; P527-P535 VanDerWaalsContact CB-O 3.29Å; P527-P535 WeakPolarHBondContact CB-O 3Å; P527-E538 HydrophobicContact CB-CB 3.93Å; P527-E538 HydrophobicContact CG-CB 3.74Å; P527-P540 HydrophobicContact CG-CB 4.42Å
528F76.6Confident75.9Confident143 Ų14390.4 Ų90.463%0.62746%0.461SS*.G310 helixtrans-77.5-4.4-178.6-57.8-78.7000114.5N526 P535N526-F528 PolarHBondContact O-N 3.23Å; N526-F528 VanDerWaalsContact O-N 3.13Å; N526-F528 PolarHBondContact OD1-N 2.89Å; F528-P535 HydrophobicContact CD1-CB 3.81Å; F528-P535 HydrophobicContact CD1-CG 3.81Å; F528-P535 HydrophobicContact CE1-CB 3.89Å; F528-P535 HydrophobicContact CE1-CG 3.82Å; F528-P535 HydrophobicContact CG-CB 4.36Å
529E78Confident75.8Confident160 Ų16092.3 Ų92.375%0.74847%0.468SS*.G310 helixtrans-99.9-8.5172.8-74.5168.1-148.100112.8N526 P527N526-E529 HydrophobicContact CB-CB 4.22Å; N526-E529 HydrophobicContact CB-CG 4.09Å; N526-E529 PolarHBondContact ND2-OE1 2.93Å; N526-E529 PolarHBondContact O-N 3.28Å; P527-E529 VanDerWaalsContact C-N 3.27Å; P527-E529 PolarHBondContact O-N 3.47Å
530G62.6Low75.9Confident29 Ų2991.9 Ų91.930%0.29947%0.473SS..SBendtrans-86.4162.3177.200000113.4P527 N532P527-G530 PolarHBondContact O-N 3.38Å; G530-N532 PolarHBondContact O-N 2.94Å
531P55.3Low75.9Confident141 Ų14189.8 Ų89.892%0.91646%0.462SS*.  trans-77.629.9172.837.2-38.3000112.2
532N64.8Low75.8Confident61 Ų6192.9 Ų92.933%0.32648%0.481SS..  trans-84.8142.5-167.1-165.932000111.6G530 E538G530-N532 PolarHBondContact O-N 2.94Å; N532-E538 PolarHBondContact ND2-OE1 2.79Å; N532-E538 PolarHBondContact ND2-OE2 2.96Å; N532-E538 VanDerWaalsContact ND2-OE2 3.07Å
533E65.1Low76Confident190 Ų19086.7 Ų86.789%0.88847%0.469SS*.SBendtrans-77.6-21.5-174.4-63.9-164.5155.200113.2
534N65.9Low75.9Confident83 Ų8381.4 Ų81.444%0.44446%0.463SS..  trans-14059.2-174-142.7102.7000113.3E536 A537N534-E536 PolarHBondContact ND2-OE1 2.67Å; N534-E536 PolarHBondContact O-N 3.36Å; N534-E536 VanDerWaalsContact O-N 3.08Å; N534-A537 WeakPolarHBondContact O-CB 3.36Å; N534-A537 PolarHBondContact O-N 2.99Å
535P73.2Confident75.9Confident24 Ų2482.2 Ų82.216%0.15646%0.458CS..G310 helixtrans-61.4-20.7-170.227.8-37.3000114.7P527 F528 A537 E538P527-P535 HydrophobicContact CB-CB 3.88Å; P527-P535 VanDerWaalsContact CB-O 3.29Å; P527-P535 WeakPolarHBondContact CB-O 3Å; F528-P535 HydrophobicContact CD1-CB 3.81Å; F528-P535 HydrophobicContact CD1-CG 3.81Å; F528-P535 HydrophobicContact CE1-CB 3.89Å; F528-P535 HydrophobicContact CE1-CG 3.82Å; F528-P535 HydrophobicContact CG-CB 4.36Å; P535-A537 PolarHBondContact O-N 2.8Å; P535-E538 PolarHBondContact O-N 2.76Å
536E68.9Low76Confident134 Ų13485.2 Ų85.263%0.62647%0.47SS*.G310 helixtrans-73.2-10.8174.369.7-82.5-170.600114.7N534N534-E536 PolarHBondContact ND2-OE1 2.67Å; N534-E536 PolarHBondContact O-N 3.36Å; N534-E536 VanDerWaalsContact O-N 3.08Å
537A65.9Low76.1Confident70 Ų7084.1 Ų84.158%0.57946%0.463SS*.G310 helixtrans-90.3-3.8174.400000113.1N534 P535N534-A537 WeakPolarHBondContact O-CB 3.36Å; N534-A537 PolarHBondContact O-N 2.99Å; P535-A537 PolarHBondContact O-N 2.8Å
538E78.8Confident76Confident30 Ų3090.3 Ų90.314%0.1449%0.488CS..SBendtrans-110.4143.9-176.3-70.2177.9166.900112.4Y525 P527 N532 P535 P540 F558Y525-E538 PolarHBondContact OH-OE2 3.32Å; P527-E538 HydrophobicContact CB-CB 3.93Å; P527-E538 HydrophobicContact CG-CB 3.74Å; N532-E538 PolarHBondContact ND2-OE1 2.79Å; N532-E538 PolarHBondContact ND2-OE2 2.96Å; N532-E538 VanDerWaalsContact ND2-OE2 3.07Å; P535-E538 PolarHBondContact O-N 2.76Å; E538-P540 WeakPolarHBondContact O-CD 3.28Å; E538-F558 HydrophobicContact CG-CE1 4.23Å; E538-F558 WeakPolarHBondContact OE1-CE1 3.03Å; E538-F558 WeakPolarHBondContact OE1-CZ 3.34Å
539L78.3Confident76.1Confident123 Ų12384.2 Ų84.264%0.64446%0.462SS*.  trans-81.7120.4177.9-172.571.2000110.5L541 I547L539-L541 HydrophobicContact CD2-CD2 4.05Å; L539-L541 HydrophobicContact CG-CD2 4.25Å; L539-I547 HydrophobicContact CD2-CG2 4.38Å
540P83.4Confident75.7Confident77 Ų7778.2 Ų78.250%0.543%0.432SS..  trans-64.3138.6168.427.3-34.2000110.7Y525 P527 E538Y525-P540 WeakPolarHBondContact O-CA 3.27Å; P527-P540 HydrophobicContact CG-CB 4.42Å; E538-P540 WeakPolarHBondContact O-CD 3.28Å
541L85.6Confident75.9Confident41 Ų4177.2 Ų77.222%0.21542%0.422CS..BIsolated β-bridgetrans-118.3141-177.4-53.5-178.1000110.3A521 S524 Y525 L539 I547A521-L541 HydrophobicContact CB-CB 4.23Å; S524-L541 CarbonylContact C-O 3.53Å; S524-L541 WeakPolarHBondContact CA-O 2.98Å; S524-L541 WeakPolarHBondContact CB-O 3.45Å; Y525-L541 PolarHBondContact N-O 2.76Å; Y525-L541 PolarHBondContact O-N 3.01Å; L539-L541 HydrophobicContact CD2-CD2 4.05Å; L539-L541 HydrophobicContact CG-CD2 4.25Å; L541-I547 HydrophobicContact CD1-CD1 4.48Å; L541-I547 HydrophobicContact CD2-CD1 4.32Å; L541-I547 HydrophobicContact CD2-CG2 3.65Å
542T86.8Confident76.3Confident73 Ų7376.8 Ų76.845%0.44841%0.412SS..  trans-107136.8165.4-38.30000110.3A521 G544 E545A521-T542 VanDerWaalsContact CB-O 3.31Å; A521-T542 WeakPolarHBondContact CB-O 3.38Å; T542-G544 PolarHBondContact O-N 3.24Å; T542-E545 WeakPolarHBondContact CA-OE2 3.39Å; T542-E545 VanDerWaalsContact CB-CD 3.45Å; T542-E545 WeakPolarHBondContact CB-OE2 3.21Å; T542-E545 PolarHBondContact N-OE2 3.1Å; T542-E545 WeakPolarHBondContact O-CB 3.43Å; T542-E545 PolarHBondContact O-N 2.81Å; T542-E545 PolarHBondContact OG1-OE2 3.13Å
543A88.6Confident76.8Confident53 Ų5379.2 Ų79.244%0.43842%0.423SS..THydrogen-bonded Turntrans-55.6123.6173.700000111S524S524-A543 PolarHBondContact OG-N 3.3Å
544G80.7Confident77Confident49 Ų4973.3 Ų73.351%0.50540%0.397SS..THydrogen-bonded Turntrans100.6-8.5-177.100000115.1L520 A521 T542L520-G544 VanDerWaalsContact CD1-O 3.31Å; L520-G544 WeakPolarHBondContact CD1-O 3.37Å; A521-G544 PolarHBondContact O-N 2.91Å; T542-G544 PolarHBondContact O-N 3.24Å
545E88Confident77Confident95 Ų9579 Ų7944%0.44442%0.421SS..  trans-80.5148.1176.5-69.8-178.1135.700112.7A521 T542A521-E545 WeakPolarHBondContact CB-O 3.45Å; A521-E545 PolarHBondContact N-O 3.41Å; T542-E545 WeakPolarHBondContact CA-OE2 3.39Å; T542-E545 VanDerWaalsContact CB-CD 3.45Å; T542-E545 WeakPolarHBondContact CB-OE2 3.21Å; T542-E545 PolarHBondContact N-OE2 3.1Å; T542-E545 WeakPolarHBondContact O-CB 3.43Å; T542-E545 PolarHBondContact O-N 2.81Å; T542-E545 PolarHBondContact OG1-OE2 3.13Å
546Y84.8Confident76.7Confident155 Ų15584.7 Ų84.761%0.60845%0.45SS*.EExtended strand (participates in β ladder)trans-93.8121.8172.8-68.4-80.9000110V518 F519 L520V518-Y546 HydrophobicContact CG1-CD1 3.78Å; V518-Y546 HydrophobicContact CG1-CG 4.18Å; F519-Y546 CarbonylContact O-C 3.56Å; F519-Y546 VanDerWaalsContact O-CA 3.3Å; F519-Y546 WeakPolarHBondContact O-CA 3.27Å; L520-Y546 HydrophobicContact CB-CD1 4.36Å; L520-Y546 HydrophobicContact CB-CE1 4.26Å; L520-Y546 HydrophobicContact CD1-CD1 4.04Å; L520-Y546 HydrophobicContact CD1-CD2 4.46Å; L520-Y546 HydrophobicContact CD1-CE1 3.84Å; L520-Y546 HydrophobicContact CD1-CE2 4.25Å; L520-Y546 HydrophobicContact CD1-CG 4.37Å
547I84.2Confident76.6Confident35 Ų3579.9 Ų79.918%0.17944%0.437CS..EExtended strand (participates in β ladder)trans-104.4146.5175.760178.6000111.5V518 F519 L539 L541 I549V518-I547 WeakPolarHBondContact CA-O 3.47Å; F519-I547 HydrophobicContact CB-CD1 4.36Å; F519-I547 HydrophobicContact CB-CG1 3.87Å; F519-I547 PolarHBondContact N-O 2.74Å; F519-I547 PolarHBondContact O-N 3.4Å; L539-I547 HydrophobicContact CD2-CG2 4.38Å; L541-I547 HydrophobicContact CD1-CD1 4.48Å; L541-I547 HydrophobicContact CD2-CD1 4.32Å; L541-I547 HydrophobicContact CD2-CG2 3.65Å; I547-I549 HydrophobicContact CD1-CD1 4.39Å
548Y80.1Confident76.9Confident131 Ų13181.4 Ų81.451%0.51443%0.431SS..EExtended strand (participates in β ladder)trans-107120.2-179.4-64.4-73.3000109.6I516 V518 P562I516-Y548 HydrophobicContact CG2-CD1 3.55Å; I516-Y548 HydrophobicContact CG2-CG 3.99Å; V518-Y548 HydrophobicContact CG1-CD1 4.48Å; V518-Y548 HydrophobicContact CG1-CE1 4.21Å; V518-Y548 HydrophobicContact CG2-CD1 3.86Å; V518-Y548 HydrophobicContact CG2-CE1 3.69Å; Y548-P562 WeakPolarHBondContact O-CD 3.41Å
549I79.9Confident76.7Confident15 Ų1585 Ų858%0.07745%0.446CS..EExtended strand (participates in β ladder)trans-112.1130.2179.7-59.5-175.8000109.1Q517 F519 I547 G551 F559Q517-I549 PolarHBondContact N-O 3.07Å; Q517-I549 PolarHBondContact O-N 3.33Å; F519-I549 HydrophobicContact CD2-CB 4.23Å; F519-I549 HydrophobicContact CD2-CD1 3.49Å; F519-I549 VanDerWaalsContact CD2-CD1 3.49Å; F519-I549 HydrophobicContact CD2-CG1 3.89Å; F519-I549 HydrophobicContact CE2-CB 4.16Å; F519-I549 HydrophobicContact CE2-CD1 3.74Å; F519-I549 HydrophobicContact CE2-CG1 4.23Å; F519-I549 HydrophobicContact CG-CD1 4.27Å; I547-I549 HydrophobicContact CD1-CD1 4.39Å; I549-G551 WeakPolarHBondContact CG2-O 3.26Å; I549-F559 HydrophobicContact CD1-CB 3.87Å; I549-F559 HydrophobicContact CD1-CD1 4.07Å; I549-F559 HydrophobicContact CD1-CD2 4.32Å; I549-F559 HydrophobicContact CD1-CG 3.85Å; I549-F559 HydrophobicContact CG1-CB 4.42Å; I549-F559 HydrophobicContact CG2-CB 3.9Å; I549-F559 HydrophobicContact CG2-CD1 3.84Å; I549-F559 HydrophobicContact CG2-CG 4.24Å
550Y68.4Low76.4Confident33 Ų3382.5 Ų82.513%0.12943%0.431CS..  trans-107.6-31.6-175.5-82.9-113000112.8I516 E560 P562 H647 E649I516-Y550 HydrophobicContact CB-CE2 4.28Å; I516-Y550 HydrophobicContact CD1-CE1 4.16Å; I516-Y550 HydrophobicContact CD1-CE2 4.18Å; I516-Y550 WeakPolarHBondContact CD1-OH 3.05Å; I516-Y550 HydrophobicContact CG1-CD1 4.42Å; I516-Y550 HydrophobicContact CG1-CE1 3.79Å; I516-Y550 HydrophobicContact CG1-CE2 3.89Å; I516-Y550 HydrophobicContact CG2-CD2 3.95Å; I516-Y550 HydrophobicContact CG2-CE2 3.49Å; I516-Y550 VanDerWaalsContact CG2-CE2 3.49Å; Y550-E560 PolarHBondContact N-O 2.81Å; Y550-E560 VanDerWaalsContact N-O 3.16Å; Y550-P562 HydrophobicContact CD2-CB 3.8Å; Y550-P562 HydrophobicContact CD2-CG 4.37Å; Y550-P562 HydrophobicContact CE2-CB 3.53Å; Y550-P562 HydrophobicContact CE2-CG 4.16Å; Y550-H647 HydrophobicContact CD1-CB 4.49Å; Y550-E649 PolarHBondContact OH-O 3.36Å
551G66.5Low75.9Confident9 Ų979.4 Ų79.49%0.09341%0.414CS..SBendtrans-94.9-177.6176.600000114.5I549 E560I549-G551 WeakPolarHBondContact CG2-O 3.26Å; G551-E560 PolarHBondContact N-O 3.48Å
552N65.3Low75.5Confident132 Ų13279.1 Ų79.171%0.70641%0.414SS*.  trans-86.9173.9162.3-70.3-39.3000109.4
553M73.7Confident75.3Confident112 Ų11275.8 Ų75.855%0.55239%0.394SS*.BIsolated β-bridgetrans-67.2133.3167.9-159.6-179.277.500109.4G557 F558 F559M553-G557 VanDerWaalsContact CG-C 3.45Å; M553-G557 WeakPolarHBondContact CG-O 3.43Å; M553-F558 CarbonylContact C-O 3.59Å; M553-F558 WeakPolarHBondContact CA-O 3.17Å; M553-F558 WeakPolarHBondContact CG-O 3.46Å; M553-F559 HydrophobicContact CB-CD1 4.09Å; M553-F559 HydrophobicContact CB-CE1 3.68Å; M553-F559 HydrophobicContact CB-CE2 4.47Å; M553-F559 HydrophobicContact CB-CZ 3.89Å; M553-F559 HydrophobicContact CG-CD2 4.44Å; M553-F559 HydrophobicContact CG-CE1 4.21Å; M553-F559 HydrophobicContact CG-CE2 4.1Å; M553-F559 HydrophobicContact CG-CZ 3.98Å; M553-F559 HydrophobicContact SD-CE2 4.27Å; M553-F559 HydrophobicContact SD-CZ 4.15Å
554D70.9Confident75.2Confident65 Ų6577 Ų7735%0.34839%0.393SS..  trans-78-173.4177.864.621000112.8D556 G557 F558D554-D556 VanDerWaalsContact C-N 3.27Å; D554-D556 PolarHBondContact O-N 3.28Å; D554-D556 PolarHBondContact OD1-N 2.95Å; D554-G557 PolarHBondContact OD1-N 3.43Å; D554-F558 PolarHBondContact N-O 3.22Å; D554-F558 PolarHBondContact OD1-N 3.17Å; D554-F558 WeakPolarHBondContact OD2-CB 3.38Å
555E66.2Low75.5Confident202 Ų20276 Ų7694%0.94438%0.38SS*.SBendtrans-69.7-23.9-178.8-60.1-164.916600113
556D66.5Low75.5Confident144 Ų14471.5 Ų71.577%0.7736%0.359SS*.SBendtrans-92.7-13.4-178.9-67.9-53.8000113.1D554 F558D554-D556 VanDerWaalsContact C-N 3.27Å; D554-D556 PolarHBondContact O-N 3.28Å; D554-D556 PolarHBondContact OD1-N 2.95Å; D556-F558 HydrophobicContact CB-CD2 4.08Å; D556-F558 HydrophobicContact CB-CE2 4.45Å
557G66.9Low75.8Confident34 Ų3469.2 Ų69.235%0.35136%0.357SS..SBendtrans105.28.7174.300000115M553 D554M553-G557 VanDerWaalsContact CG-C 3.45Å; M553-G557 WeakPolarHBondContact CG-O 3.43Å; D554-G557 PolarHBondContact OD1-N 3.43Å
558F71Confident75.9Confident101 Ų10172.4 Ų72.444%0.44337%0.374SS..  trans-92.6163.5178.5-67-83.7000111.8E538 M553 D554 D556E538-F558 HydrophobicContact CG-CE1 4.23Å; E538-F558 WeakPolarHBondContact OE1-CE1 3.03Å; E538-F558 WeakPolarHBondContact OE1-CZ 3.34Å; M553-F558 CarbonylContact C-O 3.59Å; M553-F558 WeakPolarHBondContact CA-O 3.17Å; M553-F558 WeakPolarHBondContact CG-O 3.46Å; D554-F558 PolarHBondContact N-O 3.22Å; D554-F558 PolarHBondContact OD1-N 3.17Å; D554-F558 WeakPolarHBondContact OD2-CB 3.38Å; D556-F558 HydrophobicContact CB-CD2 4.08Å; D556-F558 HydrophobicContact CB-CE2 4.45Å
559F74.8Confident76.4Confident107 Ų10767.1 Ų67.147%0.46936%0.356SS..BIsolated β-bridgetrans-119.2125.8-179.1-73.3-84.2000110.4I549 M553 G561I549-F559 HydrophobicContact CD1-CB 3.87Å; I549-F559 HydrophobicContact CD1-CD1 4.07Å; I549-F559 HydrophobicContact CD1-CD2 4.32Å; I549-F559 HydrophobicContact CD1-CG 3.85Å; I549-F559 HydrophobicContact CG1-CB 4.42Å; I549-F559 HydrophobicContact CG2-CB 3.9Å; I549-F559 HydrophobicContact CG2-CD1 3.84Å; I549-F559 HydrophobicContact CG2-CG 4.24Å; M553-F559 HydrophobicContact CB-CD1 4.09Å; M553-F559 HydrophobicContact CB-CE1 3.68Å; M553-F559 HydrophobicContact CB-CE2 4.47Å; M553-F559 HydrophobicContact CB-CZ 3.89Å; M553-F559 HydrophobicContact CG-CD2 4.44Å; M553-F559 HydrophobicContact CG-CE1 4.21Å; M553-F559 HydrophobicContact CG-CE2 4.1Å; M553-F559 HydrophobicContact CG-CZ 3.98Å; M553-F559 HydrophobicContact SD-CE2 4.27Å; M553-F559 HydrophobicContact SD-CZ 4.15Å; F559-G561 PolarHBondContact O-N 3Å
560E72.4Confident76.8Confident69 Ų6971.2 Ų71.232%0.32237%0.374SS..  trans-64.7124.4175.1-60.3171.4177.900111.4Y550 G551 V598Y550-E560 PolarHBondContact N-O 2.81Å; Y550-E560 VanDerWaalsContact N-O 3.16Å; G551-E560 PolarHBondContact N-O 3.48Å; E560-V598 HydrophobicContact CB-CG2 4.03Å
561G72.1Confident77.7Confident13 Ų1370.4 Ų70.413%0.13437%0.372CS..  trans-77.9179.9172.900000112.9F559 V598F559-G561 PolarHBondContact O-N 3Å; G561-V598 WeakPolarHBondContact O-CG2 3.46Å
562P76.9Confident78.7Confident35 Ų3574.9 Ų74.923%0.22739%0.39CS..PPolyproline II helixtrans-60.1152.3164.524.8-32.1000111Y548 Y550 N596Y548-P562 WeakPolarHBondContact O-CD 3.41Å; Y550-P562 HydrophobicContact CD2-CB 3.8Å; Y550-P562 HydrophobicContact CD2-CG 4.37Å; Y550-P562 HydrophobicContact CE2-CB 3.53Å; Y550-P562 HydrophobicContact CE2-CG 4.16Å; P562-N596 WeakPolarHBondContact O-CB 3.23Å; P562-N596 PolarHBondContact O-ND2 3.37Å
563P83.6Confident79.5Confident2 Ų272.3 Ų72.31%0.01338%0.381CS..PPolyproline II helixtrans-59.8152.7164.929.9-35.8000110T643 S650P563-T643 HydrophobicContact CB-CG2 4Å; P563-T643 HydrophobicContact CG-CG2 4.4Å; P563-S650 WeakPolarHBondContact O-CB 3.31Å
564D85.5Confident79.9Confident78 Ų7867.8 Ų67.842%0.41736%0.363SS..PPolyproline II helixtrans-62153.8-177.3-60.8-60.5000111.8V587 S595 T643 S650D564-V587 HydrophobicContact CB-CB 4.31Å; D564-V587 HydrophobicContact CB-CG1 3.77Å; D564-V587 WeakPolarHBondContact O-CG1 3.49Å; D564-S595 WeakPolarHBondContact CB-OG 3.39Å; D564-S595 VanDerWaalsContact CG-OG 3.32Å; D564-S595 PolarHBondContact N-OG 3.16Å; D564-S595 PolarHBondContact OD2-OG 2.86Å; D564-T643 WeakPolarHBondContact O-CB 3.19Å; D564-T643 PolarHBondContact O-OG1 3Å; D564-S650 WeakPolarHBondContact O-CB 3.34Å
565A88.3Confident80.3Confident28 Ų2869.4 Ų69.423%0.23138%0.377CS..PPolyproline II helixtrans-78.6141.517000000110.2A651A565-A651 WeakPolarHBondContact CB-O 3.39Å
566P88.4Confident80.9Confident2 Ų262.8 Ų62.81%0.01335%0.353CS..PPolyproline II helixtrans-69.1147176.530.1-33000110.7F584 Y603 V641 T643 S653P566-F584 HydrophobicContact CB-CD2 3.87Å; P566-Y603 HydrophobicContact CB-CD1 4.21Å; P566-Y603 HydrophobicContact CB-CE1 4.07Å; P566-Y603 HydrophobicContact CG-CD1 4.2Å; P566-Y603 HydrophobicContact CG-CE1 4.49Å; P566-V641 WeakPolarHBondContact CD-O 3.44Å; P566-V641 HydrophobicContact CG-CB 3.75Å; P566-V641 HydrophobicContact CG-CG1 3.75Å; P566-V641 WeakPolarHBondContact CG-O 3.33Å; P566-T643 WeakPolarHBondContact CD-OG1 3.35Å; P566-S653 VanDerWaalsContact O-CB 3.27Å; P566-S653 WeakPolarHBondContact O-CB 3.5Å
567L89.5Confident81.3Confident106 Ų10661.3 Ų61.356%0.55535%0.351SS*.EExtended strand (participates in β ladder)trans-104.5167.1-172.1-58.6-179.8000112.2V569 L585L567-V569 VanDerWaalsContact C-N 3.33Å; L567-V569 PolarHBondContact O-N 3.25Å; L567-L585 HydrophobicContact CB-CB 4.28Å; L567-L585 HydrophobicContact CB-CD1 4.46Å; L567-L585 PolarHBondContact N-O 3.43Å; L567-L585 PolarHBondContact O-N 3.19Å
568D86.7Confident81.7Confident103 Ų10360.7 Ų60.755%0.55135%0.345SS*.EExtended strand (participates in β ladder)trans46.147.9175-66-6.4000115Q570 L585D568-Q570 PolarHBondContact O-N 2.77Å; D568-Q570 PolarHBondContact O-NE2 3.35Å; D568-L585 HydrophobicContact CB-CD1 3.93Å; D568-L585 HydrophobicContact CB-CG 4.08Å; D568-L585 WeakPolarHBondContact OD2-CD1 3.21Å
569V90.5Very high82.2Confident20 Ų2058.2 Ų58.212%0.12134%0.335CS..EExtended strand (participates in β ladder)trans-63.3119.7173.3-174.30000109.8L567 I582 S583 F584 V641 S653 A656L567-V569 VanDerWaalsContact C-N 3.33Å; L567-V569 PolarHBondContact O-N 3.25Å; V569-I582 HydrophobicContact CG1-CG2 3.91Å; V569-S583 CarbonylContact C-O 3.58Å; V569-S583 WeakPolarHBondContact CA-O 3.3Å; V569-F584 HydrophobicContact CG2-CB 3.94Å; V569-V641 HydrophobicContact CG1-CG2 3.82Å; V569-V641 HydrophobicContact CG2-CB 4.14Å; V569-V641 HydrophobicContact CG2-CG2 3.9Å; V569-S653 WeakPolarHBondContact CG2-OG 3.46Å; V569-A656 HydrophobicContact CB-CB 4.05Å; V569-A656 HydrophobicContact CG1-CB 3.69Å; V569-A656 WeakPolarHBondContact O-CB 3.21Å
570Q88.1Confident82.8Confident101 Ų10153.3 Ų53.347%0.47231%0.314SS..EExtended strand (participates in β ladder)trans-129145.9-177.9-70.9169.356.900109.8D568 I582 S583D568-Q570 PolarHBondContact O-N 2.77Å; D568-Q570 PolarHBondContact O-NE2 3.35Å; Q570-I582 WeakPolarHBondContact O-CA 3.44Å; Q570-S583 PolarHBondContact N-O 2.78Å; Q570-S583 PolarHBondContact O-N 3.2Å
571I88.9Confident83.6Confident16 Ų1652.4 Ų52.48%0.08231%0.311CS..EExtended strand (participates in β ladder)trans-122.4110.3-175.7-52.1179.3000109.2L580 I581 V639 A656 I658 L662I571-L580 HydrophobicContact CG2-CB 4.28Å; I571-L580 HydrophobicContact CG2-CD1 3.79Å; I571-L580 HydrophobicContact CG2-CD2 4.27Å; I571-L580 HydrophobicContact CG2-CG 4.34Å; I571-I581 WeakPolarHBondContact CA-O 3.21Å; I571-V639 HydrophobicContact CD1-CB 3.91Å; I571-V639 HydrophobicContact CD1-CG2 3.75Å; I571-A656 HydrophobicContact CD1-CB 3.9Å; I571-A656 WeakPolarHBondContact CD1-O 3.34Å; I571-A656 HydrophobicContact CG1-CB 3.93Å; I571-I658 HydrophobicContact CD1-CG1 3.81Å; I571-L662 HydrophobicContact CB-CD1 4.39Å; I571-L662 HydrophobicContact CG2-CD1 3.81Å
572E87Confident84.5Confident102 Ų10251.8 Ų51.848%0.47731%0.305SS..EExtended strand (participates in β ladder)trans-115.7155.7-176.6-73-61.7144.800112.1G574 L580 I581E572-G574 PolarHBondContact O-N 2.67Å; E572-L580 WeakPolarHBondContact O-CA 3.3Å; E572-I581 HydrophobicContact CB-CB 4.38Å; E572-I581 PolarHBondContact N-O 3.31Å; E572-I581 PolarHBondContact O-N 2.86Å
573P82.8Confident85.2Confident79 Ų7951.7 Ų51.751%0.51331%0.305SS..EExtended strand (participates in β ladder)trans-59.4129.2171.3-19.330.9000111.7L662P573-L662 HydrophobicContact CG-CD2 3.69Å
574G81.1Confident85.7Confident16 Ų1652 Ų5217%0.16531%0.306CS..  trans-70.1169.7174.800000113.8E572 S576 I579E572-G574 PolarHBondContact O-N 2.67Å; G574-S576 PolarHBondContact O-N 2.84Å; G574-I579 VanDerWaalsContact CA-O 3.26Å; G574-I579 WeakPolarHBondContact CA-O 3.31Å; G574-I579 PolarHBondContact N-O 3.06Å
575P80.2Confident86Confident100 Ų10052.7 Ų52.765%0.64931%0.309SS*.SBendtrans-67.91-179.930.1-37.2000114
576S78.4Confident86.1Confident62 Ų6253.9 Ų53.943%0.43432%0.315SS..SBendtrans-148146.5176.3-68.30000110.3G574 G578 I579G574-S576 PolarHBondContact O-N 2.84Å; S576-G578 PolarHBondContact O-N 3.01Å; S576-I579 PolarHBondContact O-N 3.05Å; S576-I579 VanDerWaalsContact O-N 3.13Å
577P74.8Confident86Confident114 Ų11454.5 Ų54.574%0.7432%0.318SS*.THydrogen-bonded Turntrans-56.1132.3173.4-21.732.7000110.3A665P577-A665 HydrophobicContact CB-CB 4.37Å
578G74Confident85.8Confident20 Ų2055.7 Ų55.721%0.20633%0.33CS..THydrogen-bonded Turntrans92.56.4-174.600000114.9S576 E626 L627S576-G578 PolarHBondContact O-N 3.01Å; G578-E626 CarbonylContact O-C 3.43Å; G578-E626 WeakPolarHBondContact O-CA 3.28Å; G578-E626 WeakPolarHBondContact O-CG 3.39Å; G578-L627 WeakPolarHBondContact O-CB 3.42Å; G578-L627 PolarHBondContact O-N 3.36Å
579I82.8Confident85.7Confident49 Ų4953.4 Ų53.425%0.25132%0.317SS..EExtended strand (participates in β ladder)trans-125.5142.4174.1-55.9-179.3000109.2G574 S576 L624G574-I579 VanDerWaalsContact CA-O 3.26Å; G574-I579 WeakPolarHBondContact CA-O 3.31Å; G574-I579 PolarHBondContact N-O 3.06Å; S576-I579 PolarHBondContact O-N 3.05Å; S576-I579 VanDerWaalsContact O-N 3.13Å; I579-L624 HydrophobicContact CG2-CB 4.05Å; I579-L624 HydrophobicContact CG2-CD2 4.17Å
580L86.2Confident85.3Confident4 Ų456.2 Ų56.22%0.02133%0.332CS..EExtended strand (participates in β ladder)trans-114.3148.4168-65.7175.8000110.1I571 E572 L624 V625 L627 L630 L662I571-L580 HydrophobicContact CG2-CB 4.28Å; I571-L580 HydrophobicContact CG2-CD1 3.79Å; I571-L580 HydrophobicContact CG2-CD2 4.27Å; I571-L580 HydrophobicContact CG2-CG 4.34Å; E572-L580 WeakPolarHBondContact O-CA 3.3Å; L580-L624 WeakPolarHBondContact O-CA 3.36Å; L580-V625 PolarHBondContact N-O 2.94Å; L580-V625 PolarHBondContact O-N 2.92Å; L580-L627 HydrophobicContact CD1-CD2 3.76Å; L580-L627 HydrophobicContact CD1-CG 4.27Å; L580-L627 HydrophobicContact CG-CD1 4.46Å; L580-L627 HydrophobicContact CG-CD2 4.07Å; L580-L627 HydrophobicContact CG-CG 4.03Å; L580-L630 HydrophobicContact CD1-CD1 3.81Å; L580-L662 HydrophobicContact CD2-CB 4.32Å; L580-L662 HydrophobicContact CD2-CD1 4.19Å; L580-L662 HydrophobicContact CD2-CD2 4.49Å
581I90.1Very high84.8Confident50 Ų5057.2 Ų57.226%0.25636%0.357SS..EExtended strand (participates in β ladder)trans-97.5123.1165.2-39.8-168000106.9I571 E572 L624I571-I581 WeakPolarHBondContact CA-O 3.21Å; E572-I581 HydrophobicContact CB-CB 4.38Å; E572-I581 PolarHBondContact N-O 3.31Å; E572-I581 PolarHBondContact O-N 2.86Å; I581-L624 HydrophobicContact CB-CD2 4.26Å; I581-L624 HydrophobicContact CD1-CD2 4.24Å; I581-L624 HydrophobicContact CG1-CD2 3.71Å; I581-L624 HydrophobicContact CG2-CD2 4.24Å
582I91.8Very high84.1Confident1 Ų159 Ų591%0.00538%0.375CS..EExtended strand (participates in β ladder)trans-104.3102.5169.4-57.9165.4000105.6V569 Q570 F584 I605 S622 V623 V625 V639 V641V569-I582 HydrophobicContact CG1-CG2 3.91Å; Q570-I582 WeakPolarHBondContact O-CA 3.44Å; I582-F584 HydrophobicContact CG2-CD1 4.46Å; I582-I605 HydrophobicContact CD1-CG2 3.73Å; I582-S622 CarbonylContact O-C 3.57Å; I582-S622 WeakPolarHBondContact O-CA 3.31Å; I582-V623 HydrophobicContact CB-CG1 4.49Å; I582-V623 PolarHBondContact N-O 3.28Å; I582-V623 PolarHBondContact O-N 3.34Å; I582-V625 HydrophobicContact CD1-CB 4.03Å; I582-V625 HydrophobicContact CD1-CG2 3.53Å; I582-V639 HydrophobicContact CD1-CG1 4.06Å; I582-V641 HydrophobicContact CG2-CG2 4.1Å
583S91.7Very high83.9Confident33 Ų3355 Ų5523%0.23136%0.361CS..EExtended strand (participates in β ladder)trans-97.7145.1175.649.50000110.1V569 Q570 G621V569-S583 CarbonylContact C-O 3.58Å; V569-S583 WeakPolarHBondContact CA-O 3.3Å; Q570-S583 PolarHBondContact N-O 2.78Å; Q570-S583 PolarHBondContact O-N 3.2Å; S583-G621 WeakPolarHBondContact CA-O 3.44Å
584F94Very high83.8Confident9 Ų952.2 Ų52.24%0.03934%0.342CS..EExtended strand (participates in β ladder)trans-155.1153.5179.953.4-90.5000109P566 V569 I582 P586 Y603 A620 G621 V641P566-F584 HydrophobicContact CB-CD2 3.87Å; V569-F584 HydrophobicContact CG2-CB 3.94Å; I582-F584 HydrophobicContact CG2-CD1 4.46Å; F584-P586 WeakPolarHBondContact O-CD 3.29Å; F584-Y603 HydrophobicContact CD2-CD1 4.39Å; F584-Y603 AromaticContact CE2-CD1 3.63Å; F584-Y603 HydrophobicContact CE2-CD1 3.63Å; F584-Y603 AromaticContact CE2-CD2 3.6Å; F584-Y603 HydrophobicContact CE2-CD2 3.6Å; F584-Y603 AromaticContact CE2-CE1 3.95Å; F584-Y603 HydrophobicContact CE2-CE1 3.95Å; F584-Y603 AromaticContact CE2-CE2 3.91Å; F584-Y603 HydrophobicContact CE2-CE2 3.91Å; F584-Y603 AromaticContact CE2-CG 3.46Å; F584-Y603 HydrophobicContact CE2-CG 3.46Å; F584-Y603 VanDerWaalsContact CE2-CG 3.46Å; F584-Y603 HydrophobicContact CZ-CD1 4.27Å; F584-Y603 AromaticContact CZ-CD2 3.81Å; F584-Y603 HydrophobicContact CZ-CD2 3.81Å; F584-Y603 AromaticContact CZ-CG 3.69Å; F584-Y603 HydrophobicContact CZ-CG 3.69Å; F584-A620 WeakPolarHBondContact CE2-O 3.26Å; F584-A620 VanDerWaalsContact CZ-O 3.28Å; F584-A620 WeakPolarHBondContact CZ-O 3.23Å; F584-G621 PolarHBondContact N-O 3.32Å; F584-G621 CarbonylContact O-C 3.58Å; F584-G621 WeakPolarHBondContact O-CA 3.4Å; F584-V641 HydrophobicContact CD1-CG1 4.23Å; F584-V641 HydrophobicContact CD1-CG2 4.19Å; F584-V641 HydrophobicContact CD2-CG1 4.48Å; F584-V641 HydrophobicContact CE1-CG1 4.14Å; F584-V641 HydrophobicContact CE2-CG1 4.38Å; F584-V641 HydrophobicContact CG-CG1 4.4Å; F584-V641 HydrophobicContact CZ-CG1 4.22Å
585L91.8Very high83.9Confident92 Ų9251.6 Ų51.648%0.48234%0.335SS..EExtended strand (participates in β ladder)trans-75.4120.3172-67.2174.6000108.7L567 D568L567-L585 HydrophobicContact CB-CB 4.28Å; L567-L585 HydrophobicContact CB-CD1 4.46Å; L567-L585 PolarHBondContact N-O 3.43Å; L567-L585 PolarHBondContact O-N 3.19Å; D568-L585 HydrophobicContact CB-CD1 3.93Å; D568-L585 HydrophobicContact CB-CG 4.08Å; D568-L585 WeakPolarHBondContact OD2-CD1 3.21Å
586P89.6Confident83.7Confident53 Ų5350.3 Ų50.334%0.34432%0.323SS..PPolyproline II helixtrans-57.1149.6170.7-21.633.5000110.4F584 Y603F584-P586 WeakPolarHBondContact O-CD 3.29Å; P586-Y603 WeakPolarHBondContact CA-OH 3.45Å; P586-Y603 WeakPolarHBondContact CB-OH 3.24Å
587V86.9Confident83.4Confident15 Ų1549.5 Ų49.59%0.09132%0.324CS..PPolyproline II helixtrans-66148.3173-630000110.6D564 I589 V600 Y603 T643D564-V587 HydrophobicContact CB-CB 4.31Å; D564-V587 HydrophobicContact CB-CG1 3.77Å; D564-V587 WeakPolarHBondContact O-CG1 3.49Å; V587-I589 HydrophobicContact CG2-CG2 4.17Å; V587-I589 PolarHBondContact O-N 2.99Å; V587-V600 HydrophobicContact CG2-CG1 4.49Å; V587-V600 HydrophobicContact CG2-CG2 3.82Å; V587-Y603 PolarHBondContact N-OH 3.45Å; V587-Y603 VanDerWaalsContact N-OH 3.13Å; V587-T643 HydrophobicContact CG1-CG2 4.48Å; V587-T643 WeakPolarHBondContact CG1-OG1 3.47Å; V587-T643 HydrophobicContact CG2-CG2 3.87Å
588T84.6Confident83.5Confident130 Ų13044.1 Ų44.180%0.79829%0.289SS*.PPolyproline II helixtrans-66.3120.3173.5-55.80000108.6
589I84.5Confident84Confident56 Ų5649.3 Ų49.329%0.28730%0.303SS..  trans-109.1141.9175.259.8177.5000111.2V587 T594 V600 P618 T619V587-I589 HydrophobicContact CG2-CG2 4.17Å; V587-I589 PolarHBondContact O-N 2.99Å; I589-T594 CarbonylContact C-O 3.54Å; I589-T594 VanDerWaalsContact CA-O 3.23Å; I589-T594 WeakPolarHBondContact CA-O 3.41Å; I589-V600 HydrophobicContact CG2-CB 4.08Å; I589-V600 HydrophobicContact CG2-CG2 3.71Å; I589-P618 HydrophobicContact CD1-CB 4.29Å; I589-T619 HydrophobicContact CD1-CG2 4.13Å
590D82.1Confident84.3Confident79 Ų7947.3 Ų47.342%0.42229%0.292SS..  trans-71.4-178.6174.27110.5000112.7A592 G593 T594D590-A592 PolarHBondContact O-N 3.44Å; D590-A592 VanDerWaalsContact OD1-C 3.22Å; D590-A592 VanDerWaalsContact OD1-CA 3.23Å; D590-A592 WeakPolarHBondContact OD1-CA 3.44Å; D590-A592 WeakPolarHBondContact OD1-CB 3.32Å; D590-A592 PolarHBondContact OD1-N 3.3Å; D590-G593 PolarHBondContact O-N 3.34Å; D590-G593 VanDerWaalsContact O-N 3.1Å; D590-G593 PolarHBondContact OD1-N 2.98Å; D590-T594 VanDerWaalsContact CG-OG1 3.26Å; D590-T594 PolarHBondContact N-O 2.87Å; D590-T594 PolarHBondContact OD1-N 3.08Å; D590-T594 PolarHBondContact OD2-OG1 3.02Å
591A76.9Confident84.5Confident121 Ų12149.7 Ų49.7100%131%0.307SS*.THydrogen-bonded Turntrans-65-15176.100000114.3
592A75.3Confident84.6Confident55 Ų5547.3 Ų47.346%0.45530%0.295SS..THydrogen-bonded Turntrans-95.5-5.6175.500000113.2D590 T594 R599D590-A592 PolarHBondContact O-N 3.44Å; D590-A592 VanDerWaalsContact OD1-C 3.22Å; D590-A592 VanDerWaalsContact OD1-CA 3.23Å; D590-A592 WeakPolarHBondContact OD1-CA 3.44Å; D590-A592 WeakPolarHBondContact OD1-CB 3.32Å; D590-A592 PolarHBondContact OD1-N 3.3Å; A592-T594 HydrophobicContact CB-CG2 4.19Å; A592-R599 PolarHBondContact O-NH1 2.68Å
593G82.4Confident84.7Confident18 Ų1847.2 Ų47.219%0.18630%0.295CS..SBendtrans82.130.6-177.400000114.4D590 V600D590-G593 PolarHBondContact O-N 3.34Å; D590-G593 VanDerWaalsContact O-N 3.1Å; D590-G593 PolarHBondContact OD1-N 2.98Å; G593-V600 PolarHBondContact O-N 2.94Å
594T81.6Confident84.8Confident20 Ų2045.7 Ų45.712%0.12328%0.284CS..EExtended strand (participates in β ladder)trans-109.9147.4179.8910000112.7I589 D590 A592 V598I589-T594 CarbonylContact C-O 3.54Å; I589-T594 VanDerWaalsContact CA-O 3.23Å; I589-T594 WeakPolarHBondContact CA-O 3.41Å; D590-T594 VanDerWaalsContact CG-OG1 3.26Å; D590-T594 PolarHBondContact N-O 2.87Å; D590-T594 PolarHBondContact OD1-N 3.08Å; D590-T594 PolarHBondContact OD2-OG1 3.02Å; A592-T594 HydrophobicContact CB-CG2 4.19Å; T594-V598 CarbonylContact C-O 3.57Å; T594-V598 VanDerWaalsContact CA-O 3.25Å; T594-V598 WeakPolarHBondContact CA-O 3.23Å; T594-V598 WeakPolarHBondContact CB-O 3.37Å
595S82.3Confident84.7Confident2 Ų245.2 Ų45.21%0.01428%0.282CS..EExtended strand (participates in β ladder)trans-122.8131.9166.1142.40000106.6D564 G597 V598D564-S595 WeakPolarHBondContact CB-OG 3.39Å; D564-S595 VanDerWaalsContact CG-OG 3.32Å; D564-S595 PolarHBondContact N-OG 3.16Å; D564-S595 PolarHBondContact OD2-OG 2.86Å; S595-G597 VanDerWaalsContact C-N 3.25Å; S595-G597 PolarHBondContact O-N 2.95Å; S595-V598 PolarHBondContact N-O 2.99Å; S595-V598 PolarHBondContact O-N 3.31Å; S595-V598 VanDerWaalsContact O-O 3.13Å
596N75.6Confident84.6Confident74 Ų7442.3 Ų42.340%0.39626%0.264SS..THydrogen-bonded Turntrans51.241.3-173.5-160.621.2000113.7P562 V598P562-N596 WeakPolarHBondContact O-CB 3.23Å; P562-N596 PolarHBondContact O-ND2 3.37Å; N596-V598 PolarHBondContact O-N 3.42Å; N596-V598 VanDerWaalsContact O-N 3.13Å
597G72Confident84.4Confident44 Ų4439.8 Ų39.845%0.45425%0.248SC..THydrogen-bonded Turntrans76.9-18.3-17500000115.2S595S595-G597 VanDerWaalsContact C-N 3.25Å; S595-G597 PolarHBondContact O-N 2.95Å
598V77.3Confident84.1Confident2 Ų243.4 Ų43.41%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-95.8130.2-173.6179.90000112E560 G561 T594 S595 N596 V600E560-V598 HydrophobicContact CB-CG2 4.03Å; G561-V598 WeakPolarHBondContact O-CG2 3.46Å; T594-V598 CarbonylContact C-O 3.57Å; T594-V598 VanDerWaalsContact CA-O 3.25Å; T594-V598 WeakPolarHBondContact CA-O 3.23Å; T594-V598 WeakPolarHBondContact CB-O 3.37Å; S595-V598 PolarHBondContact N-O 2.99Å; S595-V598 PolarHBondContact O-N 3.31Å; S595-V598 VanDerWaalsContact O-O 3.13Å; N596-V598 PolarHBondContact O-N 3.42Å; N596-V598 VanDerWaalsContact O-N 3.13Å; V598-V600 PolarHBondContact O-N 3.49Å
599R84.4Confident83.8Confident129 Ų12940 Ų4049%0.48726%0.258SS..EExtended strand (participates in β ladder)trans-57.7121.3177.4179.4173.2-56.1-63.3-9.2112A592 S645 P646A592-R599 PolarHBondContact O-NH1 2.68Å; R599-S645 WeakPolarHBondContact O-CA 3.42Å; R599-S645 WeakPolarHBondContact O-CB 3.44Å; R599-P646 WeakPolarHBondContact O-CD 3.35Å
600V89.6Confident83.7Confident6 Ų643.1 Ų43.14%0.03627%0.271CS..PPolyproline II helixtrans-80.2131.9172.2-178.30000109.6V587 I589 G593 V598 P618 T643 M644V587-V600 HydrophobicContact CG2-CG1 4.49Å; V587-V600 HydrophobicContact CG2-CG2 3.82Å; I589-V600 HydrophobicContact CG2-CB 4.08Å; I589-V600 HydrophobicContact CG2-CG2 3.71Å; G593-V600 PolarHBondContact O-N 2.94Å; V598-V600 PolarHBondContact O-N 3.49Å; V600-P618 HydrophobicContact CB-CB 4.18Å; V600-P618 HydrophobicContact CG1-CB 3.82Å; V600-P618 HydrophobicContact CG1-CG 4.46Å; V600-P618 VanDerWaalsContact O-CG 3.29Å; V600-P618 WeakPolarHBondContact O-CG 3.35Å; V600-T643 HydrophobicContact CB-CG2 4.31Å; V600-T643 HydrophobicContact CG1-CG2 3.6Å; V600-T643 HydrophobicContact CG2-CG2 3.84Å; V600-M644 WeakPolarHBondContact CA-O 3.45Å
601T90.4Very high84Confident54 Ų5443 Ų4333%0.33127%0.267SS..  trans-111.1-17.4175.550.90000113.4A616 S617 M644 P646T601-A616 CarbonylContact O-C 3.53Å; T601-S617 PolarHBondContact O-N 2.83Å; T601-M644 PolarHBondContact N-O 2.83Å; T601-M644 PolarHBondContact OG1-O 3.42Å; T601-P646 HydrophobicContact CG2-CG 3.86Å
602G92.1Very high84.4Confident0 Ų038.8 Ų38.80%023%0.228CC..EExtended strand (participates in β ladder)trans161-159.7-174.200000113.9V615 M644G602-V615 CarbonylContact C-O 3.39Å; G602-V615 WeakPolarHBondContact CA-O 3.19Å; G602-M644 PolarHBondContact O-N 3.2Å
603Y94.4Very high85Confident0 Ų038.7 Ų38.70%022%0.218CC..EExtended strand (participates in β ladder)trans-135.4141.4178.9-58.2-85000111.8P566 F584 P586 V587 V615 S617 P618 A620 V641 R642 T643P566-Y603 HydrophobicContact CB-CD1 4.21Å; P566-Y603 HydrophobicContact CB-CE1 4.07Å; P566-Y603 HydrophobicContact CG-CD1 4.2Å; P566-Y603 HydrophobicContact CG-CE1 4.49Å; F584-Y603 HydrophobicContact CD2-CD1 4.39Å; F584-Y603 AromaticContact CE2-CD1 3.63Å; F584-Y603 HydrophobicContact CE2-CD1 3.63Å; F584-Y603 AromaticContact CE2-CD2 3.6Å; F584-Y603 HydrophobicContact CE2-CD2 3.6Å; F584-Y603 AromaticContact CE2-CE1 3.95Å; F584-Y603 HydrophobicContact CE2-CE1 3.95Å; F584-Y603 AromaticContact CE2-CE2 3.91Å; F584-Y603 HydrophobicContact CE2-CE2 3.91Å; F584-Y603 AromaticContact CE2-CG 3.46Å; F584-Y603 HydrophobicContact CE2-CG 3.46Å; F584-Y603 VanDerWaalsContact CE2-CG 3.46Å; F584-Y603 HydrophobicContact CZ-CD1 4.27Å; F584-Y603 AromaticContact CZ-CD2 3.81Å; F584-Y603 HydrophobicContact CZ-CD2 3.81Å; F584-Y603 AromaticContact CZ-CG 3.69Å; F584-Y603 HydrophobicContact CZ-CG 3.69Å; P586-Y603 WeakPolarHBondContact CA-OH 3.45Å; P586-Y603 WeakPolarHBondContact CB-OH 3.24Å; V587-Y603 PolarHBondContact N-OH 3.45Å; V587-Y603 VanDerWaalsContact N-OH 3.13Å; Y603-V615 PolarHBondContact N-O 3.19Å; Y603-V615 PolarHBondContact O-N 2.65Å; Y603-S617 WeakPolarHBondContact CE2-O 3.09Å; Y603-P618 VanDerWaalsContact CE2-O 3.27Å; Y603-P618 WeakPolarHBondContact CE2-O 3.35Å; Y603-P618 PolarHBondContact OH-O 3.37Å; Y603-A620 HydrophobicContact CD2-CB 4.36Å; Y603-A620 WeakPolarHBondContact CE2-O 3.4Å; Y603-V641 HydrophobicContact CD1-CG1 4.42Å; Y603-R642 CarbonylContact C-O 3.56Å; Y603-R642 VanDerWaalsContact CA-O 3.23Å; Y603-R642 WeakPolarHBondContact CA-O 3.48Å; Y603-T643 HydrophobicContact CE1-CG2 4.11Å
604A93.4Very high85.5Confident0 Ų042.9 Ų42.90%023%0.233CC..EExtended strand (participates in β ladder)trans-108.7131.9173.400000109.9Y606 K611 V641 R642 M644A604-Y606 HydrophobicContact CB-CD2 4.15Å; A604-Y606 HydrophobicContact CB-CE2 3.66Å; A604-K611 HydrophobicContact CB-CD 4.16Å; A604-K611 VanDerWaalsContact CB-CE 3.49Å; A604-K611 HydrophobicContact CB-CG 4.49Å; A604-V641 CarbonylContact O-C 3.57Å; A604-V641 WeakPolarHBondContact O-CA 3.49Å; A604-R642 PolarHBondContact N-O 3.23Å; A604-R642 PolarHBondContact O-N 3.42Å; A604-M644 HydrophobicContact CB-CG 3.91Å; A604-M644 HydrophobicContact CB-SD 3.78Å
605I92.1Very high86Confident0 Ų043.1 Ų43.10%023%0.234CC..EExtended strand (participates in β ladder)trans-103.5133.2177.1-58.175.4000108.1I582 I612 M613 V615 V623 V639 V641I582-I605 HydrophobicContact CD1-CG2 3.73Å; I605-I612 HydrophobicContact CB-CG1 4.09Å; I605-I612 HydrophobicContact CG2-CD1 3.75Å; I605-I612 HydrophobicContact CG2-CG1 3.8Å; I605-I612 WeakPolarHBondContact O-CG1 3.45Å; I605-I612 PolarHBondContact O-N 3.17Å; I605-M613 HydrophobicContact CB-CB 4.2Å; I605-M613 HydrophobicContact CD1-CB 4.14Å; I605-M613 HydrophobicContact CD1-CG 4.27Å; I605-M613 PolarHBondContact N-O 2.98Å; I605-M613 PolarHBondContact O-N 2.85Å; I605-V615 HydrophobicContact CD1-CG2 3.77Å; I605-V623 HydrophobicContact CD1-CG1 3.91Å; I605-V623 HydrophobicContact CG1-CG1 4.09Å; I605-V639 HydrophobicContact CG2-CG1 3.56Å; I605-V641 HydrophobicContact CG1-CG1 4.42Å; I605-V641 HydrophobicContact CG1-CG2 4.28Å
606Y89.9Confident86.4Confident30 Ų3047.3 Ų47.312%0.11827%0.269CS..EExtended strand (participates in β ladder)trans-125.8140.5-177-80.2-99.9000110.8A604 Q610 K611 V639 V640 R642 E649A604-Y606 HydrophobicContact CB-CD2 4.15Å; A604-Y606 HydrophobicContact CB-CE2 3.66Å; Y606-Q610 CarbonylContact C-O 3.55Å; Y606-Q610 VanDerWaalsContact CA-O 3.23Å; Y606-Q610 WeakPolarHBondContact CA-O 3.46Å; Y606-Q610 VanDerWaalsContact CD1-C 3.42Å; Y606-K611 HydrophobicContact CD1-CB 4.05Å; Y606-K611 VanDerWaalsContact CD1-N 3.33Å; Y606-K611 HydrophobicContact CD2-CG 4.49Å; Y606-K611 HydrophobicContact CE1-CB 3.61Å; Y606-K611 HydrophobicContact CE1-CG 4.39Å; Y606-K611 HydrophobicContact CE2-CB 4.14Å; Y606-K611 HydrophobicContact CE2-CD 4.09Å; Y606-K611 HydrophobicContact CE2-CG 4.01Å; Y606-K611 HydrophobicContact CG-CB 4.48Å; Y606-V639 CarbonylContact O-C 3.39Å; Y606-V639 VanDerWaalsContact O-CA 3.31Å; Y606-V639 WeakPolarHBondContact O-CA 3.43Å; Y606-V639 WeakPolarHBondContact O-CG1 3.21Å; Y606-V640 PolarHBondContact N-O 2.95Å; Y606-V640 PolarHBondContact O-N 3.34Å; Y606-R642 HydrophobicContact CD2-CG 4.33Å; Y606-R642 HydrophobicContact CE2-CG 4.39Å; Y606-E649 WeakPolarHBondContact CE2-OE2 3.48Å; Y606-E649 PolarHBondContact OH-OE1 2.68Å; Y606-E649 PolarHBondContact OH-OE2 3.39Å
607A85.9Confident87.1Confident0 Ų045.8 Ų45.80%027%0.265CS..EExtended strand (participates in β ladder)trans-128130.8170.500000109.6G609 Q610 I612 L630 L633 C636 V639A607-G609 PolarHBondContact O-N 3.41Å; A607-Q610 PolarHBondContact N-O 2.84Å; A607-Q610 PolarHBondContact O-N 2.89Å; A607-I612 HydrophobicContact CB-CD1 4.15Å; A607-I612 HydrophobicContact CB-CG2 4.1Å; A607-L630 HydrophobicContact CB-CD2 3.69Å; A607-L633 HydrophobicContact CB-CD1 4.27Å; A607-C636 HydrophobicContact CB-CB 4.31Å; A607-V639 HydrophobicContact CB-CG2 4.48Å
608D78.8Confident87.9Confident91 Ų9145.6 Ų45.649%0.48726%0.255SS..THydrogen-bonded Turntrans43.536.9-170-62.6-4.1000113.9Q610 C636 R637D608-Q610 VanDerWaalsContact C-N 3.35Å; D608-Q610 PolarHBondContact O-N 3.44Å; D608-C636 WeakPolarHBondContact OD1-CA 3.01Å; D608-C636 VanDerWaalsContact OD2-CA 3.26Å; D608-C636 WeakPolarHBondContact OD2-CA 3.05Å; D608-C636 PolarHBondContact OD2-SG 2.91Å; D608-R637 PolarHBondContact OD1-N 3.34Å
609G79.2Confident88.3Confident60 Ų6050.4 Ų50.462%0.61929%0.285SS*.THydrogen-bonded Turntrans78.26-178.500000116.1A607A607-G609 PolarHBondContact O-N 3.41Å
610Q81.4Confident88.6Confident120 Ų12045 Ų4556%0.56127%0.268SS*.EExtended strand (participates in β ladder)trans-102.6132.3171.8-59.7-166.713.300111.6Y606 A607 D608 I612 L633Y606-Q610 CarbonylContact C-O 3.55Å; Y606-Q610 VanDerWaalsContact CA-O 3.23Å; Y606-Q610 WeakPolarHBondContact CA-O 3.46Å; Y606-Q610 VanDerWaalsContact CD1-C 3.42Å; A607-Q610 PolarHBondContact N-O 2.84Å; A607-Q610 PolarHBondContact O-N 2.89Å; D608-Q610 VanDerWaalsContact C-N 3.35Å; D608-Q610 PolarHBondContact O-N 3.44Å; Q610-I612 PolarHBondContact O-N 3.25Å; Q610-L633 HydrophobicContact CB-CD1 4.33Å; Q610-L633 VanDerWaalsContact OE1-CD2 3.28Å
611K88.3Confident88.6Confident77 Ų7746.1 Ų46.134%0.33528%0.28SS..EExtended strand (participates in β ladder)trans-70.4117.2177.7-168.3166.6177164.10109.9A604 Y606 E614 E649A604-K611 HydrophobicContact CB-CD 4.16Å; A604-K611 VanDerWaalsContact CB-CE 3.49Å; A604-K611 HydrophobicContact CB-CG 4.49Å; Y606-K611 HydrophobicContact CD1-CB 4.05Å; Y606-K611 VanDerWaalsContact CD1-N 3.33Å; Y606-K611 HydrophobicContact CD2-CG 4.49Å; Y606-K611 HydrophobicContact CE1-CB 3.61Å; Y606-K611 HydrophobicContact CE1-CG 4.39Å; Y606-K611 HydrophobicContact CE2-CB 4.14Å; Y606-K611 HydrophobicContact CE2-CD 4.09Å; Y606-K611 HydrophobicContact CE2-CG 4.01Å; Y606-K611 HydrophobicContact CG-CB 4.48Å; K611-E614 WeakPolarHBondContact CE-OE2 3.23Å; K611-E614 IonicContact NZ-OE2 2.75Å; K611-E614 PolarHBondContact NZ-OE2 3.05Å; K611-E649 IonicContact NZ-OE1 3.98Å; K611-E649 PolarHBondContact NZ-OE1 2.87Å
612I87.1Confident88.6Confident33 Ų3346.8 Ų46.817%0.16929%0.287CS..EExtended strand (participates in β ladder)trans-102.1-30-177.959.9173000113I605 A607 Q610 V625 L630 L633I605-I612 HydrophobicContact CB-CG1 4.09Å; I605-I612 HydrophobicContact CG2-CD1 3.75Å; I605-I612 HydrophobicContact CG2-CG1 3.8Å; I605-I612 WeakPolarHBondContact O-CG1 3.45Å; I605-I612 PolarHBondContact O-N 3.17Å; A607-I612 HydrophobicContact CB-CD1 4.15Å; A607-I612 HydrophobicContact CB-CG2 4.1Å; Q610-I612 PolarHBondContact O-N 3.25Å; I612-V625 HydrophobicContact CD1-CG1 4.08Å; I612-L630 HydrophobicContact CD1-CD2 3.49Å; I612-L630 VanDerWaalsContact CD1-CD2 3.49Å; I612-L630 HydrophobicContact CD1-CG 4.25Å; I612-L633 HydrophobicContact CG2-CD1 3.83Å
613M88.2Confident88.6Confident53 Ų5347.9 Ų47.926%0.26129%0.294SS..EExtended strand (participates in β ladder)trans-152.5152.5-174.9-173.360.966.900110.9I605 V625 Q629I605-M613 HydrophobicContact CB-CB 4.2Å; I605-M613 HydrophobicContact CD1-CB 4.14Å; I605-M613 HydrophobicContact CD1-CG 4.27Å; I605-M613 PolarHBondContact N-O 2.98Å; I605-M613 PolarHBondContact O-N 2.85Å; M613-V625 HydrophobicContact CB-CG2 4.39Å; M613-Q629 VanDerWaalsContact CE-OE1 3.27Å
614E92.6Very high88.5Confident106 Ų10652.3 Ų52.350%0.49532%0.317SS..EExtended strand (participates in β ladder)trans-133.2137.9174.1178.5166.2141.500110.1K611 M644K611-E614 WeakPolarHBondContact CE-OE2 3.23Å; K611-E614 IonicContact NZ-OE2 2.75Å; K611-E614 PolarHBondContact NZ-OE2 3.05Å; E614-M644 HydrophobicContact CG-CE 4.36Å; E614-M644 HydrophobicContact CG-SD 3.55Å; E614-M644 VanDerWaalsContact CG-SD 3.55Å; E614-M644 WeakPolarHBondContact OE2-CE 3.39Å
615V91.6Very high88.2Confident24 Ų2452.3 Ų52.315%0.14532%0.317CS..EExtended strand (participates in β ladder)trans-125.897.6-176.5-172.30000108.4G602 Y603 I605 S617 A620 V623G602-V615 CarbonylContact C-O 3.39Å; G602-V615 WeakPolarHBondContact CA-O 3.19Å; Y603-V615 PolarHBondContact N-O 3.19Å; Y603-V615 PolarHBondContact O-N 2.65Å; I605-V615 HydrophobicContact CD1-CG2 3.77Å; V615-S617 PolarHBondContact O-N 3.38Å; V615-A620 HydrophobicContact CG1-CB 3.64Å; V615-V623 HydrophobicContact CG2-CB 3.95Å; V615-V623 HydrophobicContact CG2-CG1 4.48Å; V615-V623 HydrophobicContact CG2-CG2 3.42Å; V615-V623 VanDerWaalsContact CG2-CG2 3.42Å
616A91.4Very high87.8Confident91 Ų9156.9 Ų56.975%0.75234%0.338SS*.  trans-75.258.9178.100000112.4T601T601-A616 CarbonylContact O-C 3.53Å
617S89.9Confident87.1Confident42 Ų4256.6 Ų56.629%0.29434%0.339SS..  trans-145.1113.1175.7178.90000110.1T601 Y603 V615 T619 A620T601-S617 PolarHBondContact O-N 2.83Å; Y603-S617 WeakPolarHBondContact CE2-O 3.09Å; V615-S617 PolarHBondContact O-N 3.38Å; S617-T619 PolarHBondContact O-N 2.99Å; S617-T619 VanDerWaalsContact O-N 3.15Å; S617-A620 PolarHBondContact O-N 3.09Å
618P88.4Confident86.4Confident40 Ų4059.3 Ų59.326%0.2636%0.358SS..THydrogen-bonded Turntrans-60.7-22.5-179.2-26.636.4000114.8I589 V600 Y603I589-P618 HydrophobicContact CD1-CB 4.29Å; V600-P618 HydrophobicContact CB-CB 4.18Å; V600-P618 HydrophobicContact CG1-CB 3.82Å; V600-P618 HydrophobicContact CG1-CG 4.46Å; V600-P618 VanDerWaalsContact O-CG 3.29Å; V600-P618 WeakPolarHBondContact O-CG 3.35Å; Y603-P618 VanDerWaalsContact CE2-O 3.27Å; Y603-P618 WeakPolarHBondContact CE2-O 3.35Å; Y603-P618 PolarHBondContact OH-O 3.37Å
619T86.4Confident86Confident103 Ų10358.5 Ų58.563%0.63235%0.351SS*.THydrogen-bonded Turntrans-107.68-175.855.80000113.7I589 S617 G621I589-T619 HydrophobicContact CD1-CG2 4.13Å; S617-T619 PolarHBondContact O-N 2.99Å; S617-T619 VanDerWaalsContact O-N 3.15Å; T619-G621 PolarHBondContact O-N 3.36Å
620A90.4Very high85.4Confident15 Ų1556.1 Ų56.112%0.12432%0.324CS..  trans-68.2118.9174.400000110.7F584 Y603 V615 S617F584-A620 WeakPolarHBondContact CE2-O 3.26Å; F584-A620 VanDerWaalsContact CZ-O 3.28Å; F584-A620 WeakPolarHBondContact CZ-O 3.23Å; Y603-A620 HydrophobicContact CD2-CB 4.36Å; Y603-A620 WeakPolarHBondContact CE2-O 3.4Å; V615-A620 HydrophobicContact CG1-CB 3.64Å; S617-A620 PolarHBondContact O-N 3.09Å
621G89.5Confident84.2Confident29 Ų2954.9 Ų54.930%0.29932%0.318SS..  trans-105.87.3172.800000114.4S583 F584 T619S583-G621 WeakPolarHBondContact CA-O 3.44Å; F584-G621 PolarHBondContact N-O 3.32Å; F584-G621 CarbonylContact O-C 3.58Å; F584-G621 WeakPolarHBondContact O-CA 3.4Å; T619-G621 PolarHBondContact O-N 3.36Å
622S90.8Very high82.8Confident68 Ų6858.5 Ų58.548%0.47634%0.34SS..EExtended strand (participates in β ladder)trans-158.5156.2166.854.90000111.8I582I582-S622 CarbonylContact O-C 3.57Å; I582-S622 WeakPolarHBondContact O-CA 3.31Å
623V92.1Very high81.1Confident24 Ų2458.5 Ų58.515%0.14534%0.34CS..EExtended strand (participates in β ladder)trans-137.1154.6168.293.60000111.1I582 I605 V615 V625I582-V623 HydrophobicContact CB-CG1 4.49Å; I582-V623 PolarHBondContact N-O 3.28Å; I582-V623 PolarHBondContact O-N 3.34Å; I605-V623 HydrophobicContact CD1-CG1 3.91Å; I605-V623 HydrophobicContact CG1-CG1 4.09Å; V615-V623 HydrophobicContact CG2-CB 3.95Å; V615-V623 HydrophobicContact CG2-CG1 4.48Å; V615-V623 HydrophobicContact CG2-CG2 3.42Å; V615-V623 VanDerWaalsContact CG2-CG2 3.42Å; V623-V625 HydrophobicContact CG1-CG2 3.76Å
624L90.7Very high79.5Confident92 Ų9264.2 Ų64.248%0.48237%0.367SS..EExtended strand (participates in β ladder)trans-95.5124.5170.8-61.1177.5000109.3I579 L580 I581I579-L624 HydrophobicContact CG2-CB 4.05Å; I579-L624 HydrophobicContact CG2-CD2 4.17Å; L580-L624 WeakPolarHBondContact O-CA 3.36Å; I581-L624 HydrophobicContact CB-CD2 4.26Å; I581-L624 HydrophobicContact CD1-CD2 4.24Å; I581-L624 HydrophobicContact CG1-CD2 3.71Å; I581-L624 HydrophobicContact CG2-CD2 4.24Å
625V87.4Confident77.9Confident0 Ų064.1 Ų64.10%037%0.373CS..EExtended strand (participates in β ladder)trans-117132174.1175.80000109.3L580 I582 I612 M613 V623 L630L580-V625 PolarHBondContact N-O 2.94Å; L580-V625 PolarHBondContact O-N 2.92Å; I582-V625 HydrophobicContact CD1-CB 4.03Å; I582-V625 HydrophobicContact CD1-CG2 3.53Å; I612-V625 HydrophobicContact CD1-CG1 4.08Å; M613-V625 HydrophobicContact CB-CG2 4.39Å; V623-V625 HydrophobicContact CG1-CG2 3.76Å; V625-L630 HydrophobicContact CG1-CD1 4.07Å; V625-L630 HydrophobicContact CG1-CG 4.08Å
626E82.9Confident76.6Confident97 Ų9764 Ų6445%0.45337%0.373SS..EExtended strand (participates in β ladder)trans-76.8129.5175.9-158.6-173.2139.500109.5G578 S628 Q629G578-E626 CarbonylContact O-C 3.43Å; G578-E626 WeakPolarHBondContact O-CA 3.28Å; G578-E626 WeakPolarHBondContact O-CG 3.39Å; E626-S628 WeakPolarHBondContact CG-OG 3.31Å; E626-S628 PolarHBondContact O-N 3.44Å; E626-S628 VanDerWaalsContact O-N 3.09Å; E626-S628 WeakPolarHBondContact OE1-CB 3.44Å; E626-S628 PolarHBondContact OE1-OG 3.4Å; E626-Q629 HydrophobicContact CB-CG 4.24Å; E626-Q629 WeakPolarHBondContact O-CB 3.43Å; E626-Q629 PolarHBondContact O-N 3.46Å
627L77Confident75.8Confident23 Ų2368.1 Ų68.112%0.1237%0.369CS..Hα-helixtrans-54.5-30.9177-87.3164.7000111.4G578 L580 Q629 L630 Q631 A665G578-L627 WeakPolarHBondContact O-CB 3.42Å; G578-L627 PolarHBondContact O-N 3.36Å; L580-L627 HydrophobicContact CD1-CD2 3.76Å; L580-L627 HydrophobicContact CD1-CG 4.27Å; L580-L627 HydrophobicContact CG-CD1 4.46Å; L580-L627 HydrophobicContact CG-CD2 4.07Å; L580-L627 HydrophobicContact CG-CG 4.03Å; L627-Q629 VanDerWaalsContact C-N 3.25Å; L627-Q629 PolarHBondContact O-N 3.37Å; L627-L630 HydrophobicContact CD2-CD1 4.34Å; L627-L630 CarbonylContact O-C 3.57Å; L627-L630 WeakPolarHBondContact O-CB 3.43Å; L627-L630 PolarHBondContact O-N 3.45Å; L627-L630 VanDerWaalsContact O-N 3.14Å; L627-Q631 VanDerWaalsContact O-CB 3.24Å; L627-Q631 WeakPolarHBondContact O-CB 3.36Å; L627-Q631 PolarHBondContact O-N 3.09Å; L627-A665 HydrophobicContact CD1-CB 4.2Å
628S71.1Confident75.6Confident58 Ų5870.9 Ų70.941%0.40638%0.377SS..Hα-helixtrans-60.6-30.3176.267.50000113.9E626 Q631 L632E626-S628 WeakPolarHBondContact CG-OG 3.31Å; E626-S628 PolarHBondContact O-N 3.44Å; E626-S628 VanDerWaalsContact O-N 3.09Å; E626-S628 WeakPolarHBondContact OE1-CB 3.44Å; E626-S628 PolarHBondContact OE1-OG 3.4Å; S628-Q631 PolarHBondContact O-N 3.36Å; S628-L632 PolarHBondContact O-N 2.86Å
629Q69.1Low75.6Confident73 Ų7369 Ų6934%0.34137%0.365SS..Hα-helixtrans-72.5-40.7175.6-61.1172.85.200110.6M613 E626 L627 Q631M613-Q629 VanDerWaalsContact CE-OE1 3.27Å; E626-Q629 HydrophobicContact CB-CG 4.24Å; E626-Q629 WeakPolarHBondContact O-CB 3.43Å; E626-Q629 PolarHBondContact O-N 3.46Å; L627-Q629 VanDerWaalsContact C-N 3.25Å; L627-Q629 PolarHBondContact O-N 3.37Å; Q629-Q631 VanDerWaalsContact C-N 3.34Å
630L67.7Low75.8Confident10 Ų1064.9 Ų64.95%0.05234%0.34CS..Hα-helixtrans-69.2-30.6170.3-68.1166.2000112L580 A607 I612 V625 L627 L632 L633 I658L580-L630 HydrophobicContact CD1-CD1 3.81Å; A607-L630 HydrophobicContact CB-CD2 3.69Å; I612-L630 HydrophobicContact CD1-CD2 3.49Å; I612-L630 VanDerWaalsContact CD1-CD2 3.49Å; I612-L630 HydrophobicContact CD1-CG 4.25Å; V625-L630 HydrophobicContact CG1-CD1 4.07Å; V625-L630 HydrophobicContact CG1-CG 4.08Å; L627-L630 HydrophobicContact CD2-CD1 4.34Å; L627-L630 CarbonylContact O-C 3.57Å; L627-L630 WeakPolarHBondContact O-CB 3.43Å; L627-L630 PolarHBondContact O-N 3.45Å; L627-L630 VanDerWaalsContact O-N 3.14Å; L630-L632 VanDerWaalsContact C-N 3.28Å; L630-L632 PolarHBondContact O-N 3.43Å; L630-L633 CarbonylContact O-C 3.44Å; L630-L633 VanDerWaalsContact O-CA 3.29Å; L630-L633 WeakPolarHBondContact O-CA 3.35Å; L630-L633 WeakPolarHBondContact O-CB 3.4Å; L630-L633 PolarHBondContact O-N 2.99Å; L630-I658 HydrophobicContact CD1-CD1 4.49Å; L630-I658 HydrophobicContact CD2-CD1 4.44Å
631Q56.3Low76Confident95 Ų9564.2 Ų64.244%0.44433%0.334SS..Hα-helixtrans-79.7-9.8-177.5-141.3141.123.700113.2L627 S628 Q629 Q634L627-Q631 VanDerWaalsContact O-CB 3.24Å; L627-Q631 WeakPolarHBondContact O-CB 3.36Å; L627-Q631 PolarHBondContact O-N 3.09Å; S628-Q631 PolarHBondContact O-N 3.36Å; Q629-Q631 VanDerWaalsContact C-N 3.34Å; Q631-Q634 WeakPolarHBondContact O-CG 3.41Å
632L57.5Low76.2Confident152 Ų15265.7 Ų65.780%0.79633%0.331SS*.THydrogen-bonded Turntrans-67.7-23161.2-164.664.5000111.1S628 L630S628-L632 PolarHBondContact O-N 2.86Å; L630-L632 VanDerWaalsContact C-N 3.28Å; L630-L632 PolarHBondContact O-N 3.43Å
633L52.8Low76.2Confident33 Ų3362.5 Ų62.517%0.17331%0.308CS..SBendtrans-109.168176.3-48.1176.5000109.4A607 Q610 I612 L630 V635 C636A607-L633 HydrophobicContact CB-CD1 4.27Å; Q610-L633 HydrophobicContact CB-CD1 4.33Å; Q610-L633 VanDerWaalsContact OE1-CD2 3.28Å; I612-L633 HydrophobicContact CG2-CD1 3.83Å; L630-L633 CarbonylContact O-C 3.44Å; L630-L633 VanDerWaalsContact O-CA 3.29Å; L630-L633 WeakPolarHBondContact O-CA 3.35Å; L630-L633 WeakPolarHBondContact O-CB 3.4Å; L630-L633 PolarHBondContact O-N 2.99Å; L633-V635 PolarHBondContact O-N 3.43Å; L633-C636 WeakPolarHBondContact CB-SG 3.43Å; L633-C636 PolarHBondContact O-N 2.98Å
634Q53.7Low76.1Confident174 Ų17462.4 Ų62.481%0.81331%0.307SS*.THydrogen-bonded Turntrans-58.88.7-165.4-68.1-170.2-6.900118.2Q631Q631-Q634 WeakPolarHBondContact O-CG 3.41Å
635V58.6Low76Confident103 Ų10358.5 Ų58.562%0.62429%0.287SS*.THydrogen-bonded Turntrans-128.7-4.3-178.6-164.50000112.7L633 R637L633-V635 PolarHBondContact O-N 3.43Å; V635-R637 VanDerWaalsContact O-CG 3.27Å; V635-R637 WeakPolarHBondContact O-CG 3.45Å; V635-R637 PolarHBondContact O-N 3.14Å
636C65.8Low75.5Confident21 Ų2162.4 Ų62.414%0.14231%0.312CS..  trans-52.7123.8-172.4-740000113.7A607 D608 L633 I658A607-C636 HydrophobicContact CB-CB 4.31Å; D608-C636 WeakPolarHBondContact OD1-CA 3.01Å; D608-C636 VanDerWaalsContact OD2-CA 3.26Å; D608-C636 WeakPolarHBondContact OD2-CA 3.05Å; D608-C636 PolarHBondContact OD2-SG 2.91Å; L633-C636 WeakPolarHBondContact CB-SG 3.43Å; L633-C636 PolarHBondContact O-N 2.98Å; C636-I658 HydrophobicContact CB-CD1 4.14Å
637R73.3Confident75Confident178 Ų17861.6 Ų61.667%0.67231%0.308SS*.  trans-107.6-24.4-179.1-58.3-168.5178.1-179-1.6112.4D608 V635 P657 I658D608-R637 PolarHBondContact OD1-N 3.34Å; V635-R637 VanDerWaalsContact O-CG 3.27Å; V635-R637 WeakPolarHBondContact O-CG 3.45Å; V635-R637 PolarHBondContact O-N 3.14Å; R637-P657 CarbonylContact O-C 3.59Å; R637-P657 VanDerWaalsContact O-CA 3.32Å; R637-P657 WeakPolarHBondContact O-CA 3.39Å; R637-I658 PolarHBondContact O-N 2.84Å
638E85.3Confident75Confident100 Ų10061.8 Ų61.847%0.46732%0.316SS..EExtended strand (participates in β ladder)trans-141.7146.7-169.1-68.5172.7-178.400110.7P655 A656E638-P655 HydrophobicContact CB-CB 4.06Å; E638-P655 HydrophobicContact CG-CB 4.23Å; E638-A656 WeakPolarHBondContact CA-O 3.34Å
639V88.7Confident75.7Confident2 Ų260.6 Ų60.61%0.01230%0.304CS..EExtended strand (participates in β ladder)trans-121.2137.2173.6178.70000108.9I571 I582 I605 Y606 A607 A656 I658I571-V639 HydrophobicContact CD1-CB 3.91Å; I571-V639 HydrophobicContact CD1-CG2 3.75Å; I582-V639 HydrophobicContact CD1-CG1 4.06Å; I605-V639 HydrophobicContact CG2-CG1 3.56Å; Y606-V639 CarbonylContact O-C 3.39Å; Y606-V639 VanDerWaalsContact O-CA 3.31Å; Y606-V639 WeakPolarHBondContact O-CA 3.43Å; Y606-V639 WeakPolarHBondContact O-CG1 3.21Å; A607-V639 HydrophobicContact CB-CG2 4.48Å; V639-A656 PolarHBondContact N-O 3.06Å; V639-A656 PolarHBondContact O-N 2.85Å; V639-I658 HydrophobicContact CG2-CD1 3.81Å; V639-I658 HydrophobicContact CG2-CG1 3.86Å
640V92.2Very high76.6Confident16 Ų1657.3 Ų57.310%0.09729%0.289CS..EExtended strand (participates in β ladder)trans-122.1152.2169.9-640000109.7Y606 D652 S653 P655Y606-V640 PolarHBondContact N-O 2.95Å; Y606-V640 PolarHBondContact O-N 3.34Å; V640-D652 HydrophobicContact CB-CB 4.15Å; V640-D652 HydrophobicContact CG1-CB 4.23Å; V640-D652 HydrophobicContact CG2-CB 4.24Å; V640-D652 WeakPolarHBondContact CG2-OD1 3.31Å; V640-S653 WeakPolarHBondContact CA-OG 3.32Å; V640-S653 WeakPolarHBondContact CG1-O 3.37Å; V640-P655 HydrophobicContact CG1-CB 3.9Å; V640-P655 HydrophobicContact CG1-CG 3.81Å
641V93.5Very high77.4Confident0 Ų060 Ų600%031%0.312CS..EExtended strand (participates in β ladder)trans-121.1140.3176.2-170.50000108P566 V569 I582 F584 Y603 A604 I605 S653P566-V641 WeakPolarHBondContact CD-O 3.44Å; P566-V641 HydrophobicContact CG-CB 3.75Å; P566-V641 HydrophobicContact CG-CG1 3.75Å; P566-V641 WeakPolarHBondContact CG-O 3.33Å; V569-V641 HydrophobicContact CG1-CG2 3.82Å; V569-V641 HydrophobicContact CG2-CB 4.14Å; V569-V641 HydrophobicContact CG2-CG2 3.9Å; I582-V641 HydrophobicContact CG2-CG2 4.1Å; F584-V641 HydrophobicContact CD1-CG1 4.23Å; F584-V641 HydrophobicContact CD1-CG2 4.19Å; F584-V641 HydrophobicContact CD2-CG1 4.48Å; F584-V641 HydrophobicContact CE1-CG1 4.14Å; F584-V641 HydrophobicContact CE2-CG1 4.38Å; F584-V641 HydrophobicContact CG-CG1 4.4Å; F584-V641 HydrophobicContact CZ-CG1 4.22Å; Y603-V641 HydrophobicContact CD1-CG1 4.42Å; A604-V641 CarbonylContact O-C 3.57Å; A604-V641 WeakPolarHBondContact O-CA 3.49Å; I605-V641 HydrophobicContact CG1-CG1 4.42Å; I605-V641 HydrophobicContact CG1-CG2 4.28Å; V641-S653 PolarHBondContact N-OG 2.93Å; V641-S653 VanDerWaalsContact O-CB 3.26Å; V641-S653 WeakPolarHBondContact O-CB 3.43Å; V641-S653 PolarHBondContact O-N 3.45Å; V641-S653 PolarHBondContact O-OG 3.39Å
642R93.1Very high78.9Confident61 Ų6158.9 Ų58.923%0.2331%0.31CS..EExtended strand (participates in β ladder)trans-120.6141.3175.2-63-179.1-179.7-172.6-9.1110.1Y603 A604 Y606 E649 S650 D652Y603-R642 CarbonylContact C-O 3.56Å; Y603-R642 VanDerWaalsContact CA-O 3.23Å; Y603-R642 WeakPolarHBondContact CA-O 3.48Å; A604-R642 PolarHBondContact N-O 3.23Å; A604-R642 PolarHBondContact O-N 3.42Å; Y606-R642 HydrophobicContact CD2-CG 4.33Å; Y606-R642 HydrophobicContact CE2-CG 4.39Å; R642-E649 HydrophobicContact CB-CB 4.23Å; R642-E649 WeakPolarHBondContact CD-OE2 3.42Å; R642-E649 IonicContact NH1-OE2 2.81Å; R642-S650 VanDerWaalsContact CA-OG 3.31Å; R642-S650 WeakPolarHBondContact CA-OG 3.45Å; R642-S650 WeakPolarHBondContact CD-O 3.48Å; R642-D652 IonicContact CZ-OD1 2.73Å; R642-D652 VanDerWaalsContact CZ-OD1 3.23Å; R642-D652 IonicContact CZ-OD2 3.65Å; R642-D652 IonicContact NE-OD1 3.38Å; R642-D652 PolarHBondContact NE-OD1 2.93Å; R642-D652 IonicContact NE-OD2 3.64Å; R642-D652 IonicContact NH2-OD1 2.8Å; R642-D652 PolarHBondContact NH2-OD1 3.19Å; R642-D652 IonicContact NH2-OD2 3.74Å; R642-D652 PolarHBondContact NH2-OD2 3.49Å
643T92Very high80.5Confident0 Ų051.9 Ų51.90%027%0.273CS..EExtended strand (participates in β ladder)trans-72.9138.5166.7-54.10000108.7P563 D564 P566 V587 V600 Y603 E649 S650P563-T643 HydrophobicContact CB-CG2 4Å; P563-T643 HydrophobicContact CG-CG2 4.4Å; D564-T643 WeakPolarHBondContact O-CB 3.19Å; D564-T643 PolarHBondContact O-OG1 3Å; P566-T643 WeakPolarHBondContact CD-OG1 3.35Å; V587-T643 HydrophobicContact CG1-CG2 4.48Å; V587-T643 WeakPolarHBondContact CG1-OG1 3.47Å; V587-T643 HydrophobicContact CG2-CG2 3.87Å; V600-T643 HydrophobicContact CB-CG2 4.31Å; V600-T643 HydrophobicContact CG1-CG2 3.6Å; V600-T643 HydrophobicContact CG2-CG2 3.84Å; Y603-T643 HydrophobicContact CE1-CG2 4.11Å; T643-E649 CarbonylContact O-C 3.57Å; T643-E649 VanDerWaalsContact O-CA 3.3Å; T643-E649 WeakPolarHBondContact O-CA 3.34Å; T643-S650 PolarHBondContact N-OG 2.98Å; T643-S650 PolarHBondContact O-N 3.29Å
644M90.6Very high82.2Confident23 Ų2356.9 Ų56.911%0.11330%0.299CS..EExtended strand (participates in β ladder)trans-106144.7178.5-63.9-167.666.100111.4V600 T601 G602 A604 E614 E649V600-M644 WeakPolarHBondContact CA-O 3.45Å; T601-M644 PolarHBondContact N-O 2.83Å; T601-M644 PolarHBondContact OG1-O 3.42Å; G602-M644 PolarHBondContact O-N 3.2Å; A604-M644 HydrophobicContact CB-CG 3.91Å; A604-M644 HydrophobicContact CB-SD 3.78Å; E614-M644 HydrophobicContact CG-CE 4.36Å; E614-M644 HydrophobicContact CG-SD 3.55Å; E614-M644 VanDerWaalsContact CG-SD 3.55Å; E614-M644 WeakPolarHBondContact OE2-CE 3.39Å; M644-E649 HydrophobicContact CG-CG 4.24Å
645S86.8Confident83.8Confident9 Ų951.5 Ų51.56%0.06328%0.279CS..EExtended strand (participates in β ladder)trans-135.2169.6171.274.30000111.1R599 H647 G648R599-S645 WeakPolarHBondContact O-CA 3.42Å; R599-S645 WeakPolarHBondContact O-CB 3.44Å; S645-H647 PolarHBondContact O-N 3.35Å; S645-H647 VanDerWaalsContact O-N 3.16Å; S645-H647 PolarHBondContact OG-N 2.9Å; S645-H647 VanDerWaalsContact OG-N 3.16Å; S645-G648 PolarHBondContact N-O 3.36Å; S645-G648 PolarHBondContact O-N 3.41Å; S645-G648 PolarHBondContact OG-N 2.87Å; S645-G648 VanDerWaalsContact OG-N 3.09Å; S645-G648 PolarHBondContact OG-O 3.37Å
646P78.1Confident85Confident82 Ų8247 Ų4753%0.53225%0.252SS..THydrogen-bonded Turntrans-62.4-18171-19.332.8000113.7R599 T601R599-P646 WeakPolarHBondContact O-CD 3.35Å; T601-P646 HydrophobicContact CG2-CG 3.86Å
647H72.9Confident85.9Confident81 Ų8150 Ų5038%0.37527%0.272SS..THydrogen-bonded Turntrans-101.7-8.9-174-54.7-83.2000112.6A514 Y550 S645A514-H647 WeakPolarHBondContact CB-O 3.12Å; Y550-H647 HydrophobicContact CD1-CB 4.49Å; S645-H647 PolarHBondContact O-N 3.35Å; S645-H647 VanDerWaalsContact O-N 3.16Å; S645-H647 PolarHBondContact OG-N 2.9Å; S645-H647 VanDerWaalsContact OG-N 3.16Å
648G76.6Confident86Confident27 Ų2743 Ų4328%0.27825%0.247SC..EExtended strand (participates in β ladder)trans142.6-165.9178.500000112.7S645S645-G648 PolarHBondContact N-O 3.36Å; S645-G648 PolarHBondContact O-N 3.41Å; S645-G648 PolarHBondContact OG-N 2.87Å; S645-G648 VanDerWaalsContact OG-N 3.09Å; S645-G648 PolarHBondContact OG-O 3.37Å
649E85.8Confident85Confident32 Ų3241.8 Ų41.815%0.1525%0.246CC..EExtended strand (participates in β ladder)trans-109.2155.3-176.3-56.9-177.5160.500111.2Y550 Y606 K611 R642 T643 M644Y550-E649 PolarHBondContact OH-O 3.36Å; Y606-E649 WeakPolarHBondContact CE2-OE2 3.48Å; Y606-E649 PolarHBondContact OH-OE1 2.68Å; Y606-E649 PolarHBondContact OH-OE2 3.39Å; K611-E649 IonicContact NZ-OE1 3.98Å; K611-E649 PolarHBondContact NZ-OE1 2.87Å; R642-E649 HydrophobicContact CB-CB 4.23Å; R642-E649 WeakPolarHBondContact CD-OE2 3.42Å; R642-E649 IonicContact NH1-OE2 2.81Å; T643-E649 CarbonylContact O-C 3.57Å; T643-E649 VanDerWaalsContact O-CA 3.3Å; T643-E649 WeakPolarHBondContact O-CA 3.34Å; M644-E649 HydrophobicContact CG-CG 4.24Å
650S87.9Confident83.5Confident4 Ų447 Ų473%0.02828%0.281CS..  trans-64.9175.9174.869.70000112.7P563 D564 R642 T643P563-S650 WeakPolarHBondContact O-CB 3.31Å; D564-S650 WeakPolarHBondContact O-CB 3.34Å; R642-S650 VanDerWaalsContact CA-OG 3.31Å; R642-S650 WeakPolarHBondContact CA-OG 3.45Å; R642-S650 WeakPolarHBondContact CD-O 3.48Å; T643-S650 PolarHBondContact N-OG 2.98Å; T643-S650 PolarHBondContact O-N 3.29Å
651A84.6Confident81.4Confident66 Ų6650 Ų5055%0.54531%0.307SS..PPolyproline II helixtrans-57.5161157.400000111.4A565A565-A651 WeakPolarHBondContact CB-O 3.39Å
652D88.1Confident79.5Confident73 Ų7351.2 Ų51.239%0.3931%0.313SS..PPolyproline II helixtrans-62.5138.2172.7-69.4-56.4000111.3V640 R642V640-D652 HydrophobicContact CB-CB 4.15Å; V640-D652 HydrophobicContact CG1-CB 4.23Å; V640-D652 HydrophobicContact CG2-CB 4.24Å; V640-D652 WeakPolarHBondContact CG2-OD1 3.31Å; R642-D652 IonicContact CZ-OD1 2.73Å; R642-D652 VanDerWaalsContact CZ-OD1 3.23Å; R642-D652 IonicContact CZ-OD2 3.65Å; R642-D652 IonicContact NE-OD1 3.38Å; R642-D652 PolarHBondContact NE-OD1 2.93Å; R642-D652 IonicContact NE-OD2 3.64Å; R642-D652 IonicContact NH2-OD1 2.8Å; R642-D652 PolarHBondContact NH2-OD1 3.19Å; R642-D652 IonicContact NH2-OD2 3.74Å; R642-D652 PolarHBondContact NH2-OD2 3.49Å
653S91.1Very high77.4Confident5 Ų550.9 Ų50.94%0.03532%0.323CS..PPolyproline II helixtrans-58.6166.7161.970.60000111.1P566 V569 V640 V641 P655P566-S653 VanDerWaalsContact O-CB 3.27Å; P566-S653 WeakPolarHBondContact O-CB 3.5Å; V569-S653 WeakPolarHBondContact CG2-OG 3.46Å; V640-S653 WeakPolarHBondContact CA-OG 3.32Å; V640-S653 WeakPolarHBondContact CG1-O 3.37Å; V641-S653 PolarHBondContact N-OG 2.93Å; V641-S653 VanDerWaalsContact O-CB 3.26Å; V641-S653 WeakPolarHBondContact O-CB 3.43Å; V641-S653 PolarHBondContact O-N 3.45Å; V641-S653 PolarHBondContact O-OG 3.39Å; S653-P655 WeakPolarHBondContact O-CD 3.42Å
654I86.8Confident75.4Confident138 Ų13855.5 Ų55.571%0.70835%0.353SS*.PPolyproline II helixtrans-54.3129.3165.6-59.4176.3000108.6A656I654-A656 PolarHBondContact O-N 3.18Å
655P87.4Confident73.2Confident61 Ų6156.2 Ų56.240%0.39636%0.363SS..PPolyproline II helixtrans-63.6123.6-179.9-23.233.2000112.6E638 V640 S653E638-P655 HydrophobicContact CB-CB 4.06Å; E638-P655 HydrophobicContact CG-CB 4.23Å; V640-P655 HydrophobicContact CG1-CB 3.9Å; V640-P655 HydrophobicContact CG1-CG 3.81Å; S653-P655 WeakPolarHBondContact O-CD 3.42Å
656A85.4Confident71Confident7 Ų758.4 Ų58.46%0.05838%0.379CS..EExtended strand (participates in β ladder)trans-91.1117175.500000109.7V569 I571 E638 V639 I654V569-A656 HydrophobicContact CB-CB 4.05Å; V569-A656 HydrophobicContact CG1-CB 3.69Å; V569-A656 WeakPolarHBondContact O-CB 3.21Å; I571-A656 HydrophobicContact CD1-CB 3.9Å; I571-A656 WeakPolarHBondContact CD1-O 3.34Å; I571-A656 HydrophobicContact CG1-CB 3.93Å; E638-A656 WeakPolarHBondContact CA-O 3.34Å; V639-A656 PolarHBondContact N-O 3.06Å; V639-A656 PolarHBondContact O-N 2.85Å; I654-A656 PolarHBondContact O-N 3.18Å
657P82.8Confident69.2Low85 Ų8561.2 Ų61.255%0.55239%0.388SS*.EExtended strand (participates in β ladder)trans-72.9132-177.928.3-34000111.6R637 T659R637-P657 CarbonylContact O-C 3.59Å; R637-P657 VanDerWaalsContact O-CA 3.32Å; R637-P657 WeakPolarHBondContact O-CA 3.39Å; P657-T659 PolarHBondContact O-N 3.01Å
658I76.1Confident67.5Low31 Ų3163.1 Ų63.116%0.15941%0.408CS..  trans-74.592.3169.5-55.1173.8000107.6I571 L630 C636 R637 V639I571-I658 HydrophobicContact CD1-CG1 3.81Å; L630-I658 HydrophobicContact CD1-CD1 4.49Å; L630-I658 HydrophobicContact CD2-CD1 4.44Å; C636-I658 HydrophobicContact CB-CD1 4.14Å; R637-I658 PolarHBondContact O-N 2.84Å; V639-I658 HydrophobicContact CG2-CD1 3.81Å; V639-I658 HydrophobicContact CG2-CG1 3.86Å
659T65.6Low65.4Low74 Ų7466.3 Ų66.345%0.45443%0.432SS..  trans-56.5128.7-179-34.60000110.6P657 A661 L662P657-T659 PolarHBondContact O-N 3.01Å; T659-A661 HydrophobicContact CG2-CB 4.16Å; T659-A661 PolarHBondContact O-N 3.31Å; T659-L662 WeakPolarHBondContact O-CB 3.48Å; T659-L662 PolarHBondContact O-N 3.08Å
660P55.3Low63.1Low112 Ų11276.2 Ų76.273%0.72747%0.468SS*.G310 helixtrans-57.8-16.8177.5-27.835.8000114.5L662 A663P660-L662 PolarHBondContact O-N 3.43Å; P660-A663 VanDerWaalsContact O-CB 3.23Å; P660-A663 WeakPolarHBondContact O-CB 3.44Å; P660-A663 PolarHBondContact O-N 2.92Å
661A48.6Very low60.3Low79 Ų7982.2 Ų82.265%0.65350%0.504SS*.G310 helixtrans-67.4-13.9171.200000114.5T659 P664T659-A661 HydrophobicContact CG2-CB 4.16Å; T659-A661 PolarHBondContact O-N 3.31Å; A661-P664 WeakPolarHBondContact O-CD 3.44Å
662L53.8Low57.7Low26 Ų2684.5 Ų84.514%0.13652%0.516CS..G310 helixtrans-83.4-14.7172.1-61171.6000112.4I571 P573 L580 T659 P660I571-L662 HydrophobicContact CB-CD1 4.39Å; I571-L662 HydrophobicContact CG2-CD1 3.81Å; P573-L662 HydrophobicContact CG-CD2 3.69Å; L580-L662 HydrophobicContact CD2-CB 4.32Å; L580-L662 HydrophobicContact CD2-CD1 4.19Å; L580-L662 HydrophobicContact CD2-CD2 4.49Å; T659-L662 WeakPolarHBondContact O-CB 3.48Å; T659-L662 PolarHBondContact O-N 3.08Å; P660-L662 PolarHBondContact O-N 3.43Å
663A49.4Very low54.8Low53 Ų5385.8 Ų85.844%0.43853%0.53SS..G310 helixtrans-68.9-16.5179.300000117.7P660 A665 S666P660-A663 VanDerWaalsContact O-CB 3.23Å; P660-A663 WeakPolarHBondContact O-CB 3.44Å; P660-A663 PolarHBondContact O-N 2.92Å; A663-A665 PolarHBondContact O-N 2.88Å; A663-S666 PolarHBondContact O-N 2.75Å; A663-S666 PolarHBondContact O-OG 3.02Å
664P48.9Very low52Low97 Ų9791.4 Ų91.463%0.6357%0.566SS**G310 helixtrans-59.8-18.6177.6-23.633.7000114.1A661 S666A661-P664 WeakPolarHBondContact O-CD 3.44Å; P664-S666 PolarHBondContact O-N 2.76Å
665A44.7Very low49.2Very low39 Ų3990.1 Ų90.132%0.32257%0.569SS.*G310 helixtrans-71.6-9.2174.600000114.3P577 L627 A663P577-A665 HydrophobicContact CB-CB 4.37Å; L627-A665 HydrophobicContact CD1-CB 4.2Å; A663-A665 PolarHBondContact O-N 2.88Å
666S41.1Very low46.8Very low55 Ų5593.1 Ų93.139%0.38559%0.589SS.*G310 helixtrans-96.512.9-177.376.70000115A663 P664A663-S666 PolarHBondContact O-N 2.75Å; A663-S666 PolarHBondContact O-OG 3.02Å; P664-S666 PolarHBondContact O-N 2.76Å
667L40.8Very low44Very low141 Ų141100.9 Ų100.974%0.73862%0.623SS**SBendtrans-97.6125.8170.8-72.5174.5000110.4A669L667-A669 PolarHBondContact O-N 3.34Å; L667-A669 VanDerWaalsContact O-N 3.12Å
668P37.1Very low41.7Very low120 Ų120103 Ų10378%0.77964%0.637SS**PPolyproline II helixtrans-64.7117.7175.326.1-32.8000109.6R670P668-R670 PolarHBondContact O-N 2.93Å; P668-R670 VanDerWaalsContact O-N 3.1Å
669A31.8Very low39.2Very low95 Ų95106.1 Ų106.179%0.78566%0.661SS**PPolyproline II helixtrans-57.2117.2177.200000110L667 V671L667-A669 PolarHBondContact O-N 3.34Å; L667-A669 VanDerWaalsContact O-N 3.12Å; A669-V671 PolarHBondContact O-N 3.26Å
670R37.2Very low38.3Very low240 Ų240107.7 Ų107.791%0.90667%0.673SS**  trans-62.4113.7169.7-86-173.2163.8-142.4-2.8108.5P668 S672P668-R670 PolarHBondContact O-N 2.93Å; P668-R670 VanDerWaalsContact O-N 3.1Å; R670-S672 PolarHBondContact O-N 3.21Å; R670-S672 VanDerWaalsContact O-N 3.12Å
671V30.7Very low37Very low130 Ų130111 Ų11179%0.78868%0.679SS**  trans-56.2116.2175.6-1780000109.5A669 C673A669-V671 PolarHBondContact O-N 3.26Å; V671-C673 VanDerWaalsContact CG1-SG 3.57Å
672S29.1Very low36.1Very low113 Ų113111.2 Ų111.279%0.7968%0.68SS**  trans-117100.7164.7-167.90000107.6R670R670-S672 PolarHBondContact O-N 3.21Å; R670-S672 VanDerWaalsContact O-N 3.12Å
673C26.9Very low34.8Very low101 Ų101121.6 Ų121.668%0.68272%0.718SS**  trans-74.3131.4178.4-63.20000110.4V671V671-C673 VanDerWaalsContact CG1-SG 3.57Å
674P31.7Very low33.7Very low123 Ų123123.4 Ų123.480%0.79973%0.733SS**  trans-78.2154.7163.733.3-32.7000110.5
675S29.2Very low33.2Very low110 Ų110124.2 Ų124.277%0.76974%0.738SS**  trans-145.4145.2165.3-70.20000108.7
676P36.4Very low32.4Very low125 Ų125130 Ų13081%0.81276%0.763SS**  trans-83.7151.5-147.631.2-37000114.8
677H27.2Very low31.6Very low170 Ų170131.7 Ų131.779%0.78778%0.78SS**  trans-63.7161.5162.3-60-78.4000110.9
678P34.7Very low30.8Very low128 Ų128130.3 Ų130.383%0.83178%0.783SS**  -127.114183.528.5-15.5000114.7
679S23.8Very low30.4Very low97 Ų97129.4 Ų129.468%0.67879%0.785SS**  trans-65174.3158.457.80000111.1
680P46.7Very low30.3Very low108 Ų108130.4 Ų130.470%0.70179%0.786SS**  cis-144.5173.821.833.5-9000118.2
681E28Very low30.6Very low181 Ų181125.1 Ų125.185%0.84678%0.783SS**  trans140.7122.7131-72-15598.700116.2
682A28.5Very low30.5Very low83 Ų83122.3 Ų122.369%0.68678%0.78SS**  trans70.299138.400000122.1
683R27.4Very low31.2Very low244 Ų244123.7 Ų123.792%0.92179%0.787SS**  68.8115.7129.7-65-175.7174.4-177.2-1.6119.9
684A25Very low31.2Very low91 Ų91122.8 Ų122.875%0.75279%0.794SS**  trans-63.2163.9149.600000110.9
685P40.2Very low30.9Very low114 Ų114124.6 Ų124.674%0.7480%0.797SS**  -152.1157.180.737.9-18.3000118.5
686L26Very low31.6Very low160 Ų160124.3 Ų124.384%0.83879%0.793SS**  trans65.8131.1140.7-70166.3000122.9
687A25.3Very low31.2Very low91 Ų91124.1 Ų124.175%0.75279%0.794SS**  trans65.5157135.700000118.9
688S24.7Very low31.1Very low113 Ų113121.3 Ų121.379%0.7979%0.794SS**  cis-175.6132.7-22.451.80000107.2
689A26.9Very low32Very low101 Ų101120.3 Ų120.384%0.83579%0.787SS**  trans-175.7120.615600000112.4
690S30.9Very low32.2Very low116 Ų116122.9 Ų122.981%0.81179%0.793SS**  trans-97.3167.7142.6-49.80000107.7
691P44.3Very low31.3Very low129 Ų129126.7 Ų126.784%0.83880%0.801SS**  -138.9171.177.925-2.8000114.7
692G26.7Very low31.1Very low71 Ų71126.2 Ų126.273%0.73280%0.798SS**  trans-79.9-140.7176.500000113.7
693P43.7Very low31.2Very low142 Ų142129.2 Ų129.292%0.92280%0.802SS**  cis-133.4-178.612.341.9-24.8000115.4
694G28.5Very low31.4Very low81 Ų81122.1 Ų122.184%0.83580%0.796SS**  trans161.399.9164.700000117.6
695D25.7Very low32.7Very low162 Ų162123.2 Ų123.287%0.86680%0.795SS**  trans-82.2-179.9166.9-88.5-37.8000112.3
696P43.8Very low32.4Very low104 Ų104126.4 Ų126.468%0.67581%0.805SS**  cis-141.9-177.2-36.639.5-21.7000115.2
697S26.3Very low32.6Very low120 Ų120122.2 Ų122.284%0.83980%0.8SS**  trans73.1146.7145.6-65.90000124.7
698S27Very low32.9Very low112 Ų112124.5 Ų124.578%0.78381%0.805SS**  trans-87.5-161.2-178.3-18.70000113.9
699P51.9Low33.1Very low107 Ų107128.3 Ų128.370%0.69581%0.81SS**  cis-140.1-168.3-38.937.1-16.5000115.3
700L29.6Very low33Very low151 Ų151131.7 Ų131.779%0.79181%0.809SS**  trans73.5134.9154.2-63173.2000123.2
701Q26.4Very low34.2Very low187 Ų187130.5 Ų130.587%0.87480%0.798SS**  172.8131.3110.1-92.6167.587.700118.5
702H24.2Very low34.5Very low171 Ų171130.1 Ų130.179%0.79280%0.796SS**  trans26.6126.3143.2-93.4-103.9000128.2
703L31.1Very low34.7Very low147 Ų147130.6 Ų130.677%0.7780%0.801SS**  trans31.9115134.1-61.1178.1000126.1
704A31.1Very low34.3Very low94 Ų94128.6 Ų128.678%0.77780%0.796SS**  48.917112400000123.7
705P53.2Low35Very low114 Ų114130.6 Ų130.674%0.7479%0.794SS**  cis-141.8170.1-6.241.8-22.7000120.2
706L33.9Very low35.9Very low182 Ų182128.5 Ų128.595%0.95379%0.79SS**  trans76.9137.1144.9-110.189.7000127.5
707G28.6Very low35.2Very low71 Ų71128.1 Ų128.173%0.73280%0.796SS**  trans162.378.6156.200000123.4
708T32.3Very low35.9Very low140 Ų140128.3 Ų128.386%0.85980%0.797SS**  trans40.7141.6144.1-14.20000129.2
709Q28.9Very low36.5Very low192 Ų192128.3 Ų128.390%0.89779%0.794SS**  trans108.6159.5153.3-67.2-141.152.800121.8
710E24.1Very low35.2Very low173 Ų173128.6 Ų128.681%0.80880%0.799SS**  trans-132.2-168.8-137.4-139.6-129.8152.800114.8
711P57.4Low35.1Very low90 Ų90131.9 Ų131.958%0.58480%0.801SS**  -117.6-149.5-79.247.7-33.5000113.6
712P50.9Low34.9Very low121 Ų121130.4 Ų130.479%0.78679%0.794SS**  cis-138.5159-11.338.4-18.7000120.4
713G29.3Very low34.9Very low82 Ų82130.5 Ų130.585%0.84580%0.797SS**  trans93.7136.4141.300000119.7
714A35.7Very low34.5Very low99 Ų99127.7 Ų127.782%0.81879%0.794SS**  cis-164.4159.5-17.500000106.6
715P43.7Very low34.1Very low123 Ų123133.6 Ų133.680%0.79980%0.803SS**  cis-135.2-135.531.542-19.6000111.6
716P44.7Very low32.7Very low118 Ų118131.6 Ų131.677%0.76680%0.803SS**  -113164-55.537.5-24.5000113.5
717A29.5Very low32.3Very low97 Ų97128 Ų12880%0.80279%0.793SS**  trans-165.1151.716200000114.1
718S39.9Very low32.1Very low123 Ų123131.9 Ų131.986%0.8679%0.791SS**  trans-77.9142.7168.9-41.20000112.3
719P39.8Very low31.8Very low113 Ų113132.9 Ų132.973%0.73479%0.787SS**  trans-150.3158157.540-22.7000118
720S25.1Very low31.8Very low113 Ų113130.6 Ų130.679%0.7978%0.781SS**  trans71.4124.2131.4-71.70000125.5
721R27Very low32.8Very low219 Ų219127.1 Ų127.183%0.82677%0.773SS**  83.4121.1117-163.8178.9-172-155.71.1121.9
722E23.3Very low32.3Very low156 Ų156128.4 Ų128.473%0.72978%0.781SS**  trans22.9121.9133.2-121.1-177.6138.700122
723M23.7Very low31Very low174 Ų174126.9 Ų126.986%0.85778%0.779SS**  trans53.8109.5139.7-86.8-170.8166.800122.9
724A23Very low31.5Very low87 Ų87128.2 Ų128.272%0.71977%0.772SS**  110.8133.4105.800000120.7
725K21.9Very low30.8Very low218 Ų218129 Ų12995%0.94877%0.77SS**  trans62.9129.7171.2-62.8178.6174.8-179.30114.5
726G23.4Very low30Very low72 Ų72128.1 Ų128.174%0.74277%0.767SS**  cis144.9160.424.100000105.2
727S25.6Very low29Very low106 Ų106130.4 Ų130.474%0.74177%0.768SS**  cis-173.3177.610.640.20000108.4
728H25.6Very low28.8Very low153 Ų153132.7 Ų132.771%0.70876%0.762SS**  trans72.9141.4-179.3-73.7-107.4000116
729E25.2Very low28.1Very low162 Ų162135 Ų13576%0.75776%0.759SS**  cis-179.9169.5-16-109.7175.5173.800104.4
730D29Very low27.3Very low144 Ų144134.4 Ų134.477%0.7776%0.764SS**  cis-171.3-167.4-44.8-149.938.6000104.4
731P45.4Very low27.3Very low100 Ų100132.9 Ų132.965%0.64977%0.766SS**  cis-125.6-153-20.947-30.8000110.1
732P46.4Very low27Very low116 Ų116127.1 Ų127.175%0.75377%0.765SS**  cis-126.2173.1-24.328.2-7.3000114.7
733A23.2Very low27Very low89 Ų89123.8 Ų123.874%0.73677%0.765SS**  trans-101.5-154.7163.300000109.4
734P40.6Very low27Very low110 Ų110121.5 Ų121.571%0.71476%0.76SS**  cis-147.9-174.710.446.4-26000118.6
735C19.9Very low27Very low115 Ų115125.5 Ų125.578%0.77777%0.768SS**  trans72.8164.5152.6-66.10000121
736S27.5Very low27.1Very low105 Ų105117.6 Ų117.673%0.73475%0.749SS**  cis165.9139.6-47.9-89.80000111.4
737Q25.1Very low27.1Very low166 Ų166121.3 Ų121.378%0.77676%0.757SS**  trans80.4138144.7-137.8167.4-5200123.6
738E23.5Very low26.9Very low145 Ų145120 Ų12068%0.67875%0.749SS**  trans79.7128143.9-99.4166.9148.900127.1
739E25.3Very low26.8Very low171 Ų171120.7 Ų120.780%0.79975%0.752SS**  trans48.6137.9141.8-87.6-158128.300127.2
740A24.3Very low26.7Very low102 Ų102120 Ų12084%0.84375%0.749SS**  trans69.1144.7142.300000121.3
741G23.7Very low26.5Very low80 Ų80122.9 Ų122.983%0.82575%0.749SS**  trans135.3114.2156.500000116
742A21.9Very low25.3Very low99 Ų99123.6 Ų123.682%0.81875%0.752SS**  trans-72.8160.717700000115.1
743A23.3Very low24.1Very low86 Ų86122.4 Ų122.471%0.71175%0.752SS**  trans76.2123.8136.500000122.1
744V22.9Very low24.2Very low126 Ų126124.3 Ų124.376%0.76476%0.76SS**  83.6130125.4169.40000119.8
745L23.6Very low23.2Very low170 Ų170125.8 Ų125.889%0.8977%0.767SS**  trans65.5142.5174.6-62.2159.4000115
746G23.1Very low23.3Very low53 Ų53124.8 Ų124.855%0.54676%0.761SS.*  cis130146.81000000109.8
747T23.1Very low23.2Very low149 Ų149125.7 Ų125.791%0.91476%0.762SS**  trans72.7158.8-172.775.50000115.8
748S22.6Very low23.2Very low80 Ų80125.9 Ų125.956%0.55977%0.768SS**  cis165.5149.9-31.1-169.50000105.9
749E23.8Very low23.2Very low166 Ų166122 Ų12278%0.77677%0.767SS**  trans63.1154.2155.6-80150.5141.100117.5
750E22Very low23.2Very low149 Ų149122.9 Ų122.970%0.69677%0.771SS**  cis-161.9174-13.3-171-166.883.300106.2
751R24.6Very low23.1Very low203 Ų203128 Ų12877%0.76678%0.775SS**  116.598.4127-142.3166-175.7-165.1-1119.4
752T21.1Very low23.1Very low116 Ų116130.9 Ų130.971%0.71277%0.771SS**  trans70.6116.7136.661.20000122.3
753A21.2Very low23.8Very low91 Ų91131.8 Ų131.875%0.75277%0.768SS**  66.4120.2119.800000120.3
754S25.2Very low23.8Very low129 Ų129130.6 Ų130.690%0.90277%0.765SS**  -153.5137.9120.1-820000111.9
755T20.4Very low24.7Very low140 Ų140130.6 Ų130.686%0.85977%0.767SS**  trans-80.4154.9172.548.20000111.6
756S21.6Very low24.6Very low95 Ų95127.2 Ų127.266%0.66476%0.764SS**  169.1119.4127.5-163.80000113.5
757T24.1Very low24.6Very low123 Ų123129.1 Ų129.176%0.75578%0.775SS**  trans54.2153.4135650000121.1
758L25.2Very low25.4Very low170 Ų170127.4 Ų127.489%0.8977%0.766SS**  cis-163.1155.94.7-152.654.3000105.7
759G23.8Very low25.5Very low65 Ų65128.8 Ų128.867%0.6778%0.775SS**  cis-174.7-175.11.500000111.9
760E25Very low25.5Very low189 Ų189129.2 Ų129.288%0.88378%0.782SS**  trans-70.2161.3-170.6-56.7146.961.100115.6
761K22.8Very low25.7Very low210 Ų210126.9 Ų126.991%0.91379%0.789SS**  -159.3112.1113.2-155.7156.1-173.8178.70114.8
762D24.2Very low25.6Very low139 Ų139126.8 Ų126.874%0.74379%0.794SS**  trans-85175.7161.4-125-29.6000109.8
763P36.8Very low25.7Very low118 Ų118128.3 Ų128.377%0.76679%0.793SS**  cis-143.9172.64140.3-19.2000118.1
764G23.1Very low25.8Very low62 Ų62131.5 Ų131.564%0.63979%0.792SS**  trans-72.7-152.4162.400000114.3
765P40.7Very low25.9Very low126 Ų126129.8 Ų129.882%0.81879%0.786SS**  cis-144.7176.427.443.8-24.7000118.2
766A22.5Very low26.1Very low99 Ų99131 Ų13182%0.81878%0.781SS**  trans59.1140.9142.400000123.9
767A23.9Very low26.1Very low93 Ų93136.4 Ų136.477%0.76979%0.787SS**  trans-81.7-165.3165.100000111
768P40Very low26.1Very low112 Ų112136.1 Ų136.173%0.72779%0.786SS**  cis-147.2-170.26.843.8-22000118
769S23.4Very low26.1Very low109 Ų109132.9 Ų132.976%0.76278%0.784SS**  trans75.8110.6146.5-58.80000123.7
770L24.5Very low26.1Very low175 Ų175133.3 Ų133.392%0.91679%0.788SS**  49.7109.8122.3-159.391.8000121.5
771A24.9Very low26Very low101 Ų101133.6 Ų133.684%0.83579%0.789SS**  -179.6157.5127.500000114
772K24.3Very low25.9Very low200 Ų200127.5 Ų127.587%0.8778%0.778SS**  trans-70.2157.3177.3-61.7165.5174176.40112.9
773Q23.5Very low26Very low148 Ų148126.8 Ų126.869%0.69278%0.782SS**  159.1139.398.3-173.4158.70.400113.9
774E22.4Very low26.1Very low158 Ų158127.3 Ų127.374%0.73879%0.786SS**  trans54.6127.9161.5-74.2147.3-164.800120.2
775A28.2Very low26.1Very low93 Ų93128.7 Ų128.777%0.76979%0.791SS**  cis91.6106.631.700000115
776E22.6Very low25.3Very low165 Ų165128.1 Ų128.177%0.77179%0.79SS**  trans-158.2101.5172.7-168.186.8-114.100111.6
777W23Very low25.3Very low209 Ų209128.7 Ų128.779%0.79279%0.788SS**  trans53.7136.4152.4-54.273.8000121
778T23.3Very low25.4Very low117 Ų117129.1 Ų129.172%0.71879%0.786SS**  cis66.414445.373.90000114.1
779A24.6Very low24.8Very low103 Ų103129.7 Ų129.785%0.85179%0.787SS**  cis-161.1179.21000000113.1
780G24.2Very low25Very low73 Ų73133.5 Ų133.575%0.75379%0.793SS**  trans93.5155.4162.900000116.1
781E22.9Very low25.1Very low195 Ų195128.8 Ų128.891%0.91179%0.787SS**  cis-169.1162.7-11.7-94.4-153.987.500107
782A22.2Very low25.2Very low82 Ų82128.9 Ų128.968%0.67879%0.788SS**  cis-165.8171.5-15.800000109.3
783C25.8Very low25.2Very low124 Ų124130.8 Ų130.884%0.83879%0.79SS**  trans-81.3166.9175.7-61.60000113.4
784P38Very low25.3Very low130 Ų130127.4 Ų127.484%0.84479%0.787SS**  -136.3166.8114.937.1-26.9000116.1
785A23.4Very low25.4Very low91 Ų91127.5 Ų127.575%0.75279%0.787SS**  trans-67.4170.2-177.100000113.9
786S22.7Very low25.2Very low114 Ų114131.7 Ų131.780%0.79779%0.791SS**  cis-160169.940.1-47.10000109.9
787S23.9Very low25.5Very low110 Ų110128.2 Ų128.277%0.76979%0.79SS**  cis-165.8150.228.850.10000113.8
788S25.3Very low26.3Very low103 Ų103123.4 Ų123.472%0.7279%0.786SS**  trans48114.8152.8-139.80000119.2
789T28.2Very low26.3Very low124 Ų124124.8 Ų124.876%0.76179%0.789SS**  56.7132.152.9-22.10000111.6
790Q26.8Very low26.5Very low188 Ų188125.8 Ų125.888%0.87979%0.785SS**  cis-137.6168.321.6-64.2162.8-74.900110
791G26.3Very low26.6Very low77 Ų77130.9 Ų130.979%0.79479%0.789SS**  cis166.2138-4.100000110.6
792A27.3Very low26.5Very low103 Ų103129.1 Ų129.185%0.85178%0.782SS**  trans-93.8154.3177.100000112.2
793R24.7Very low26.6Very low240 Ų240129.7 Ų129.791%0.90678%0.781SS**  trans-167.5122.7140.4-105.6179.9164.2-177.5-6.8106.7
794A25.4Very low26.6Very low76 Ų76133.6 Ų133.663%0.62879%0.786SS**  62.6136.855.500000111.6
795Q25.3Very low25.9Very low160 Ų160131.3 Ų131.375%0.74879%0.787SS**  cis-168170.72.9-121.8166.932.100108.4
796Q22.8Very low26Very low182 Ų182130.9 Ų130.985%0.8579%0.791SS**  trans74.6140.5157.8-71.2167.5-22.600120.7
797A29.4Very low26.2Very low91 Ų91132.6 Ų132.675%0.75279%0.792SS**  trans-85.5-168.1169.700000109.9
798P40.2Very low27Very low109 Ų109133.3 Ų133.371%0.70879%0.794SS**  cis-140.8-177.56.842.1-21.6000117.2
799N23.4Very low27.2Very low146 Ų146131 Ų13178%0.78179%0.786SS**  trans41119151.9-66.5-14.3000122.9
800T28.1Very low27.2Very low124 Ų124131.6 Ų131.676%0.76180%0.795SS**  51.2113.1126.1-32.90000121
801E25.8Very low27.2Very low180 Ų180125.9 Ų125.984%0.84179%0.786SS**  174.2139.3115.6-97.4-163.2119.300115.9
802M21.1Very low27.4Very low157 Ų157129.8 Ų129.877%0.77379%0.788SS**  trans63112.2135.1-144.861.7169.200124.8
803C25.6Very low27.4Very low95 Ų95135.6 Ų135.664%0.64279%0.788SS**  trans56.8118.5140.3-69.80000125.2
804Q24.5Very low28.3Very low205 Ų205129.5 Ų129.596%0.95878%0.78SS**  -174.4139.8111.7-96.1163.266.300106.4
805G23.2Very low28.5Very low83 Ų83137.2 Ų137.286%0.85679%0.793SS**  cis146.1111.410.100000107.3
806G25.8Very low28.9Very low82 Ų82133.8 Ų133.885%0.84579%0.791SS**  trans172.895.6-174.300000116.1
807D27Very low29.2Very low150 Ų150133.7 Ų133.780%0.80279%0.791SS**  trans-65.9166.1163.1-154.744.3000110.4
808P41.9Very low29.3Very low125 Ų125137.6 Ų137.681%0.81279%0.791SS**  cis-129.117214.341.8-25.1000116.1
809G27.7Very low28.9Very low54 Ų54139.6 Ų139.656%0.55779%0.791SS**  cis163.4142.2-8.300000113.4
810S28.7Very low29.5Very low136 Ų136139.6 Ų139.695%0.95179%0.791SS**  trans58.8139167.2-59.60000119.8
811G27.9Very low29.6Very low68 Ų68139.5 Ų139.570%0.70179%0.79SS**  cis133.3155.75.600000109.8
812L29.7Very low30Very low159 Ų159135.5 Ų135.583%0.83279%0.788SS**  cis169.1146.2-8.7-111.9176.6000106.6
813R26.9Very low30.6Very low226 Ų226136.6 Ų136.685%0.85379%0.791SS**  trans75.3175.2160-55-81-151.5-171.85.9119.2
814P44.5Very low31Very low111 Ų111140 Ų14072%0.72180%0.802SS**  -143.1173.7-57.843.2-26.8000117.3
815R28Very low31.2Very low239 Ų239133.7 Ų133.790%0.90279%0.793SS**  trans48.7115.5139.6-169.5175.9-176-175.93.8123.9
816A34.9Very low31.7Very low87 Ų87135.6 Ų135.672%0.71979%0.787SS**  trans79.3153.3136.200000125.7
817E28.2Very low31.8Very low180 Ų180139.9 Ų139.984%0.84179%0.785SS**  trans88.5111159.7-64.8-167.7157.500123.4
818K33Very low32Very low173 Ų173140.5 Ų140.575%0.75279%0.787SS**  57.5128.2129.1-88.8-177.3158.5-120.50125.6
819E31.1Very low31.2Very low151 Ų151140.1 Ų140.171%0.70678%0.782SS**  86.188.7124.7-149.2164.4160.500122.1
820D36Very low31.1Very low146 Ų146144.6 Ų144.678%0.78179%0.794SS**  74.5143122.1-133.13.7000126.3
821T30.1Very low31Very low123 Ų123144 Ų14476%0.75579%0.789SS**  trans109.9132.7151.367.20000124.9
822A33.3Very low30.9Very low96 Ų96148.8 Ų148.879%0.79380%0.798SS**  trans63120159.800000119.6
823E35.5Very low31.1Very low179 Ų179147.3 Ų147.384%0.83680%0.796SS**  cis95.8114.227.8-157.9-171.9-125.900116
824L33.6Very low31.1Very low166 Ų166142.6 Ų142.687%0.86979%0.787SS**  trans141.7134.2142.3-76.9174.8000115.5
825G28Very low30.2Very low74 Ų74145.5 Ų145.576%0.76379%0.791SS**  trans129.6133.816100000116
826V33.8Very low30.3Very low123 Ų123137.2 Ų137.275%0.74578%0.78SS**  trans-138.2153.4-162.8-155.80000114.4
827H28.9Very low30.6Very low172 Ų172144.9 Ų144.980%0.79679%0.79SS**  trans97.395.9156.3-62.9-66.4000122.5
828L29.6Very low30.5Very low162 Ų162143.5 Ų143.585%0.84879%0.788SS**  71.2132.4120.1-146.475.7000123.7
829V25.5Very low30.7Very low117 Ų117139.7 Ų139.771%0.70978%0.784SS**  trans109.6106.7155.5-172.70000118.6
830N26Very low30.9Very low149 Ų149138.5 Ų138.580%0.79778%0.782SS**  trans59.6132.9151.2-674.2000124.4
831S25.7Very low30.9Very low122 Ų122138.5 Ų138.585%0.85378%0.781SS**  trans66.3123.7161.2-65.50000118.6
832L27.7Very low31.2Very low169 Ų169137 Ų13789%0.88578%0.776SS**  174.9151.7117.6-173.956.9000110.4
833V33.1Very low31.4Very low129 Ų129138.8 Ų138.878%0.78277%0.772SS**  trans-87.5115.6164.7171.70000108.3
834D26.1Very low31.4Very low126 Ų126137.5 Ų137.567%0.67477%0.769SS**  trans-165.2153.8132.7-130.3-32.3000114.6
835H27.2Very low31.5Very low172 Ų172137.4 Ų137.480%0.79676%0.764SS**  trans65.7138.4163.7-63.79.6000119.3
836G28.6Very low32Very low65 Ų65142.1 Ų142.167%0.6777%0.767SS**  trans-138.6-147.2172.900000111.4
837R41.2Very low31.9Very low249 Ų249144.8 Ų144.894%0.9477%0.771SS**  trans79.3116.7-169.1-53.8176.4172.7-166-6.1110.7
838N26Very low32.6Very low151 Ų151146 Ų14681%0.80778%0.777SS**  -140.1149.554.259.6-20.5000111.1
839S37Very low33Very low93 Ų93146.4 Ų146.465%0.6577%0.774SS**  cis63124.631.8-77.90000113.4
840D36.4Very low33.5Very low126 Ų126149.8 Ų149.867%0.67478%0.783SS**  cis-140.7155.912.8-81.6-31000108.7
841L35.1Very low33.9Very low146 Ų146151.6 Ų151.676%0.76479%0.786SS**  55.5139.868.1-45.4176.3000111.7
842S36Very low34.4Very low91 Ų91154.2 Ų154.264%0.63679%0.785SS**  cis-160.3145.932.2-99.90000108.7
843D39.4Very low34.5Very low133 Ų133155.7 Ų155.771%0.71179%0.787SS**  72.7164.288.8-53.5-54.7000116.1
844I34.3Very low34.5Very low152 Ų152158.2 Ų158.278%0.77979%0.79SS**  trans8899.4-178.5-53162.3000110.7
845Q35.8Very low34.6Very low165 Ų165161.2 Ų161.277%0.77180%0.801SS**  67.7139.468.4-71.6-170.6-66.800113.8
846E38.1Very low34.8Very low173 Ų173161.4 Ų161.481%0.80880%0.802SS**  trans6197.9169.8-62.8168.8-165.500115.9
847E32.5Very low34.8Very low179 Ų179166.9 Ų166.984%0.83681%0.81SS**  -138.2123125.7-67.4-163.9136.100107.9
848E44.1Very low34.3Very low197 Ų197162.5 Ų162.592%0.92180%0.8SS**  trans-79116.2160.5-65172.4137.600106.1
849E36.4Very low34.4Very low171 Ų171162.6 Ų162.680%0.79980%0.8SS**  trans-124.4111165.4-71.8-162.7141.700109.6
850E36.7Very low33.9Very low188 Ų188161.6 Ų161.688%0.87980%0.804SS**  trans-65.4136.7151.3-60.8179.6147.400108.5
851E34.5Very low33.8Very low186 Ų186161.3 Ų161.387%0.86981%0.812SS**  trans180103.2141.8-100171.5-159.200104.1
852E35.4Very low33.5Very low178 Ų178165.4 Ų165.483%0.83282%0.817SS**  40.297.985.4-73-163.4-177.700112.7
853E30.2Very low32.9Very low199 Ų199167.4 Ų167.493%0.9383%0.826SS**  -135.6118.4119.3-76.9-157.1149.900108.9
854E32.9Very low32.1Very low182 Ų182166.3 Ų166.385%0.8583%0.827SS**  trans-70.2144.8155.7-55.1178.4134.400108
855E29.5Very low31.7Very low190 Ų190164.4 Ų164.489%0.88883%0.827SS**  -162.1127.8121.6-110.6-179.5-158.800112.5
856E29.9Very low31.3Very low175 Ų175164.6 Ų164.682%0.81883%0.826SS**  trans-2.1136.7160.8-55.2-171.1151.200121.9
857E29.8Very low30.8Very low181 Ų181162.5 Ų162.585%0.84682%0.816SS**  21.4130.1124.2-51.8-160.7166.300120
858E30Very low30.8Very low157 Ų157161.4 Ų161.473%0.73481%0.808SS**  -176.1144.498.4-103.6-157.2123.600113
859L27.8Very low30Very low153 Ų153159.8 Ų159.880%0.80180%0.801SS**  trans45.3136.2143.3-57.7179.8000122.2
860G26.2Very low29.7Very low71 Ų71158.2 Ų158.273%0.73280%0.803SS**  128.687.611900000117.1
861S34.7Very low29.2Very low121 Ų121154.2 Ų154.285%0.84680%0.802SS**  trans-68.1153.3151.4-70.40000111
862R28.7Very low28.8Very low232 Ų232148.7 Ų148.788%0.87580%0.795SS**  trans97.7138.8-177.7-60.5171.7174-175.3-1.6112.9
863T23.9Very low28.4Very low132 Ų132147.7 Ų147.781%0.8180%0.795SS**  cis-154.6171.515-80000113.5
864C22.6Very low28.1Very low111 Ų111143.8 Ų143.875%0.7579%0.79SS**  trans-69.8178.9-173-45.10000117.5
865S26.5Very low28Very low111 Ų111141.3 Ų141.378%0.77678%0.781SS**  trans86.7150.5152.886.70000117
866F26.5Very low27.9Very low169 Ų169141.4 Ų141.474%0.74177%0.773SS**  cis-163.1154.95.9-145.3-145.9000113.6
867Q28.1Very low27.8Very low129 Ų129139.3 Ų139.360%0.60376%0.764SS**  trans69.7127.4138.8-97.1-171.513.600126.6
868K31.6Very low27.7Very low156 Ų156137.5 Ų137.568%0.67876%0.76SS**  trans67.3152.9131.1-87.6173.7149.1-179.40119.4
869Q28.6Very low27.5Very low164 Ų164134 Ų13477%0.76677%0.766SS**  cis-155.317216.8-145.4160.8126.100114.4
870V29Very low27.9Very low137 Ų137131.6 Ų131.683%0.8377%0.768SS**  trans-85146.9-175.5165.40000115.3
871A27.3Very low27.9Very low104 Ų104138.6 Ų138.686%0.8678%0.778SS**  trans-174.4145.2138.900000109.9
872G25.7Very low28.3Very low70 Ų70137.1 Ų137.172%0.72277%0.773SS**  cis-169.8169.8-3.100000111.5
873N27.6Very low28.2Very low158 Ų158131.8 Ų131.885%0.84577%0.766SS**  trans-89.2155.2-164.9-58.5-20.9000115.5
874S24.4Very low28.6Very low117 Ų117133.4 Ų133.482%0.81877%0.765SS**  trans-161.990.8136.9-156.30000115.4
875I30.2Very low29.1Very low129 Ų129134.4 Ų134.466%0.66277%0.767SS**  1.9140.3114.3-79170.5000115.1
876R27.8Very low29.2Very low192 Ų192132.6 Ų132.673%0.72577%0.766SS**  cis-170165.57.7-114.6179.6-171-137.410.3110.2
877E26.4Very low29.5Very low132 Ų132134 Ų13462%0.61778%0.775SS**  trans39159.7139.5-63.7-167.380.100122.5
878N28.6Very low29.8Very low143 Ų143132 Ų13277%0.76578%0.78SS**  cis-171.6154.1-23.8-105.9-33.5000105.3
879G25.8Very low29.8Very low83 Ų83136.3 Ų136.386%0.85679%0.792SS**  trans160.3132.4165.700000117
880A35.2Very low29.7Very low102 Ų102132.1 Ų132.184%0.84379%0.794SS**  trans-117.1147.2-175.800000113.5
881K27.6Very low29.9Very low219 Ų219133.6 Ų133.695%0.95279%0.791SS**  trans-177.6168.2131.6-112.2179.2175.1-179.50113.6
882A41.6Very low30Very low90 Ų90136.1 Ų136.174%0.74479%0.79SS**  trans-125.2160.5-17300000113.5
883T28.5Very low30.1Very low119 Ų119135.7 Ų135.773%0.7379%0.786SS**  trans-165.6122.2168.222.90000108.9
884E31.8Very low30.2Very low167 Ų167134.7 Ų134.778%0.7879%0.792SS**  80.3144.4103.6-71.5-162.5114.400116
885T33.3Very low30.3Very low131 Ų131132.5 Ų132.580%0.80479%0.787SS**  cis-167.1161.4-1.216.10000111.5
886G28.3Very low30.3Very low73 Ų73137.6 Ų137.675%0.75380%0.798SS**  trans164.389.7160.900000119.4
887E33.4Very low30.3Very low200 Ų200139.8 Ų139.894%0.93581%0.806SS**  trans12155.2152-64.5-169.6104.100124.4
888A34.1Very low30.3Very low85 Ų85136.8 Ų136.870%0.70281%0.811SS**  cis-171.9156.3-16.400000114.5
889R31.1Very low30.9Very low247 Ų247135.4 Ų135.493%0.93281%0.81SS**  trans81121.7145.8-148.4175.1-164.1179.34.5122.9
890G27.2Very low30.9Very low77 Ų77138.8 Ų138.879%0.79480%0.803SS**  trans178.994.5165.300000115.9
891Q32.5Very low30.7Very low168 Ų168141.2 Ų141.279%0.78580%0.795SS**  trans-27130.3178.2-68.8172.2-32.100120.1
892D28.8Very low30.7Very low156 Ų156142.4 Ų142.483%0.83479%0.793SS**  79140.695.4-62.7-36.9000115.8
893G28.7Very low29.9Very low61 Ų61141.4 Ų141.463%0.62979%0.792SS**  cis165.4147.5-7.500000113.1
894S29.2Very low29.7Very low138 Ų138142.3 Ų142.397%0.96580%0.797SS**  trans61.4165.7172.778.40000117.9
895G26.9Very low29.5Very low70 Ų70144.9 Ų144.972%0.72280%0.8SS**  cis164.3132.6-9.100000113.6
896R30.6Very low29.1Very low236 Ų236145.6 Ų145.689%0.89180%0.804SS**  trans70146.6168-78.2-175.9171.8-100.61.1121.9
897R27.9Very low29.2Very low238 Ų238149.1 Ų149.190%0.89881%0.805SS**  trans79.9128.2165.3-77.2-174.7-89.7-126.60.3118.5
898G24.5Very low29Very low70 Ų70150.9 Ų150.972%0.72280%0.803SS**  trans-92.9-154.2158.600000111.1
899P41.4Very low28.8Very low113 Ų113152.5 Ų152.573%0.73481%0.806SS**  cis-135.1-178.13.243.7-27.8000115.5
900Q26.8Very low28.4Very low155 Ų155146.3 Ų146.372%0.72480%0.8SS**  trans67.7149.3166.5-64.4-171.112.500116.5
901K30Very low28.5Very low153 Ų153148.2 Ų148.267%0.66580%0.797SS**  cis-157152.74.1-124.9161.1-176.11580110.9
902R28.9Very low28.4Very low243 Ų243144.5 Ų144.592%0.91780%0.795SS**  trans8.6138.9164.9-64.9-177.4175.2-166.4-2.6120.5
903G23.9Very low28.2Very low70 Ų70146.1 Ų146.172%0.72280%0.798SS**  cis172.1-151.53.400000115
904V25.1Very low28.3Very low138 Ų138151.4 Ų151.484%0.83681%0.81SS**  trans85.8134.1-175.8-177.70000115.9
905R26Very low28.3Very low220 Ų220151 Ų15183%0.8380%0.802SS**  trans62.295.2176.2-72.1170-163.8-128.73.2117.6
906V26.3Very low28.6Very low147 Ų147152.6 Ų152.689%0.89180%0.799SS**  trans-110.6119.6142.6172.90000107.2
907L30.2Very low28.4Very low147 Ų147145.9 Ų145.977%0.7780%0.795SS**  trans-90.7128.7162.6-98.169.8000108.3
908R28.5Very low28.4Very low236 Ų236142.7 Ų142.789%0.89178%0.783SS**  trans158.2154.2138.8-93.4-177178.3-154.4-1.4110.6
909P29.5Very low28.6Very low120 Ų120143.9 Ų143.978%0.77978%0.78SS**  cis-113.9151.7-24.735.3-22.5000111.4T911P909-T911 PolarHBondContact O-N 3.07Å
910S24.6Very low28.2Very low116 Ų116144.2 Ų144.281%0.81178%0.782SS**  trans-86111.9177.7-166.90000111
911T28.2Very low28.4Very low118 Ų118141.3 Ų141.372%0.72478%0.779SS**  trans35.9103.7138.9-33.90000118.1P909P909-T911 PolarHBondContact O-N 3.07Å
912A29.6Very low28.6Very low90 Ų90141 Ų14174%0.74478%0.78SS**  trans-81.1140.7144.600000108.3
913E25.4Very low28.9Very low190 Ų190134.6 Ų134.689%0.88877%0.768SS**  trans-67.9144.7174.7-69.5-174.8116.100111.2
914L30.9Very low29.6Very low171 Ų171137.8 Ų137.890%0.89577%0.768SS**  trans-113.9114.9178.9-76.3167.5000109.3
915V28.9Very low30.6Very low131 Ų131134.4 Ų134.479%0.79476%0.755SS**PPolyproline II helixtrans-71.9144.6169.9178.40000109.4
916P32.7Very low31.6Very low102 Ų102127.7 Ų127.766%0.66273%0.73SS**PPolyproline II helixtrans-63136.8177.2-21.633.8000112.6
917A26.9Very low32.6Very low96 Ų96127.4 Ų127.479%0.79372%0.719SS**PPolyproline II helixtrans-78.5129.2176.600000111.6
918R29.2Very low33.7Very low170 Ų170129.5 Ų129.564%0.64272%0.724SS**PPolyproline II helixtrans-54.5152.3163.5-76.1-176.9179.4-175.20.5109.8E953 E954R918-E953 IonicContact NH2-OE2 2.65Å; R918-E954 IonicContact CZ-OE1 3.43Å; R918-E954 IonicContact NH1-OE1 2.76Å; R918-E954 PolarHBondContact NH1-OE1 3.47Å; R918-E954 IonicContact NH2-OE1 3.39Å; R918-E954 PolarHBondContact NH2-OE1 2.97Å
919S27.3Very low35.4Very low96 Ų96121.7 Ų121.767%0.67170%0.7SS**PPolyproline II helixtrans-60.7136-176.838.30000113.1S921S919-S921 VanDerWaalsContact C-N 3.33Å; S919-S921 PolarHBondContact O-N 3.14Å
920P33Very low37.4Very low120 Ų120120.2 Ų120.278%0.77969%0.69SS**THydrogen-bonded Turntrans-8375.2-179.734.4-35.3000111.2
921S30.6Very low40.2Very low93 Ų93117.4 Ų117.465%0.6567%0.668SS**THydrogen-bonded Turntrans-124.4-24179.1-64.20000114.9S919S919-S921 VanDerWaalsContact C-N 3.33Å; S919-S921 PolarHBondContact O-N 3.14Å
922E36Very low43.1Very low146 Ų146113.7 Ų113.768%0.68264%0.641SS**SBendtrans-89.5-18.5-177.3-65.2-179.3127.500114L924 A925E922-L924 PolarHBondContact O-N 2.99Å; E922-A925 PolarHBondContact O-N 3.44Å
923T33.4Very low46.1Very low109 Ų109109.6 Ų109.667%0.66961%0.606SS**THydrogen-bonded Turntrans-68.5-4.8-175.8-24.70000114.4
924L38.4Very low49.3Very low137 Ų137100.7 Ų100.772%0.71756%0.564SS**THydrogen-bonded Turntrans-99.3-15.2177.5-76.4167.3000113.9E922E922-L924 PolarHBondContact O-N 2.99Å
925A47.1Very low52.3Low68 Ų6892.6 Ų92.656%0.56252%0.522SS*.G310 helixtrans-70.8-33-18000000113E922E922-A925 PolarHBondContact O-N 3.44Å
926Y47.7Very low55.4Low78 Ų7886.5 Ų86.531%0.30649%0.485SS..G310 helixtrans-90.1-2.7-168.7-57.6-72.3000115.6H928 L929 F967 Q977Y926-H928 PolarHBondContact O-N 3.36Å; Y926-H928 VanDerWaalsContact O-N 3.09Å; Y926-L929 HydrophobicContact CD1-CD1 3.75Å; Y926-L929 HydrophobicContact CE1-CD1 4.26Å; Y926-L929 PolarHBondContact O-N 2.97Å; Y926-F967 HydrophobicContact CD1-CB 4.4Å; Y926-Q977 PolarHBondContact OH-NE2 3.31Å; Y926-Q977 PolarHBondContact OH-OE1 3.38Å
927Q47.2Very low58.2Low141 Ų14184.8 Ų84.866%0.65947%0.47SS*.G310 helixtrans-73.8-1.4-172.3-62.4-15640.700115.4
928H52Low61.2Low191 Ų19185.6 Ų85.688%0.88446%0.456SS*.G310 helixtrans-125-0178.9-80.7-73000115.3Y926Y926-H928 PolarHBondContact O-N 3.36Å; Y926-H928 VanDerWaalsContact O-N 3.09Å
929L64.9Low64.2Low73 Ų7382 Ų8238%0.38245%0.449SS..SBendtrans-80143.9176.1-78.1154.6000111.1Y926 V931Y926-L929 HydrophobicContact CD1-CD1 3.75Å; Y926-L929 HydrophobicContact CE1-CD1 4.26Å; Y926-L929 PolarHBondContact O-N 2.97Å; L929-V931 PolarHBondContact O-N 2.95Å
930P72.1Confident67.4Low89 Ų8978.1 Ų78.158%0.57842%0.42SS*.  trans-68.8115.7-179.227.6-33.3000110.7R932P930-R932 PolarHBondContact O-N 3.4Å
931V82.9Confident70.2Confident56 Ų5675.8 Ų75.834%0.33940%0.401SS..EExtended strand (participates in β ladder)trans-70.3114.3176.9-171.50000110.1L929 K965 F967 R1003L929-V931 PolarHBondContact O-N 2.95Å; V931-K965 HydrophobicContact CG1-CB 3.95Å; V931-K965 HydrophobicContact CG1-CG 4.21Å; V931-F967 HydrophobicContact CG1-CE1 4.29Å; V931-F967 HydrophobicContact CG2-CD1 3.95Å; V931-F967 HydrophobicContact CG2-CE1 3.85Å; V931-R1003 PolarHBondContact O-NH1 3.25Å
932R89.7Confident73.1Confident41 Ų4171.4 Ų71.416%0.15537%0.371CS..EExtended strand (participates in β ladder)trans-95.3152.8173.1-66.5161.770.6-177.58.1109.5P930 F934 V966 G968 D969 E994P930-R932 PolarHBondContact O-N 3.4Å; R932-F934 HydrophobicContact CB-CD2 4.14Å; R932-F934 HydrophobicContact CB-CE2 3.72Å; R932-V966 HydrophobicContact CB-CB 4.4Å; R932-V966 PolarHBondContact N-O 3.01Å; R932-V966 PolarHBondContact O-N 3.1Å; R932-G968 PolarHBondContact NH1-O 3.02Å; R932-G968 VanDerWaalsContact NH1-O 3.15Å; R932-D969 IonicContact CZ-OD1 3.53Å; R932-D969 IonicContact NH1-OD1 2.74Å; R932-D969 PolarHBondContact NH1-OD1 3.24Å; R932-E994 WeakPolarHBondContact CG-OE1 3.42Å; R932-E994 IonicContact CZ-OE1 2.95Å; R932-E994 IonicContact CZ-OE2 2.61Å; R932-E994 IonicContact NE-OE1 3.45Å; R932-E994 PolarHBondContact NE-OE1 2.99Å; R932-E994 IonicContact NE-OE2 2.66Å; R932-E994 PolarHBondContact NE-OE2 2.93Å; R932-E994 IonicContact NH2-OE1 2.91Å; R932-E994 IonicContact NH2-OE2 2.72Å; R932-E994 PolarHBondContact NH2-OE2 2.86Å
933I91.1Very high75.5Confident3 Ų370 Ų702%0.01537%0.372CS..EExtended strand (participates in β ladder)trans-109.6124.7179.9-56.5-59.2000107.9I963 V995 R1003 L1006 L1007I933-I963 HydrophobicContact CG2-CG2 3.83Å; I933-V995 HydrophobicContact CG2-CB 4.36Å; I933-V995 PolarHBondContact O-N 3.01Å; I933-R1003 HydrophobicContact CD1-CB 4.45Å; I933-R1003 HydrophobicContact CG1-CB 4.03Å; I933-R1003 HydrophobicContact CG1-CG 3.91Å; I933-L1006 HydrophobicContact CG2-CD1 4.08Å; I933-L1007 HydrophobicContact CD1-CD1 3.91Å; I933-L1007 HydrophobicContact CD1-CD2 3.88Å; I933-L1007 HydrophobicContact CD1-CG 3.86Å
934F93.6Very high78.1Confident3 Ų368.8 Ų68.81%0.01337%0.368CS..EExtended strand (participates in β ladder)trans-118.9156.9176.9-78.9-111.2000110.1R932 I963 L964 V966 Y976 V992 A993 E994R932-F934 HydrophobicContact CB-CD2 4.14Å; R932-F934 HydrophobicContact CB-CE2 3.72Å; F934-I963 WeakPolarHBondContact O-CA 3.45Å; F934-L964 HydrophobicContact CB-CB 4.4Å; F934-L964 PolarHBondContact N-O 3.5Å; F934-L964 PolarHBondContact O-N 2.96Å; F934-V966 HydrophobicContact CB-CG2 4.21Å; F934-V966 HydrophobicContact CD2-CB 3.59Å; F934-V966 HydrophobicContact CD2-CG1 4.32Å; F934-V966 HydrophobicContact CD2-CG2 3.39Å; F934-V966 HydrophobicContact CE2-CB 3.67Å; F934-V966 HydrophobicContact CE2-CG1 3.91Å; F934-V966 HydrophobicContact CE2-CG2 3.8Å; F934-V966 HydrophobicContact CG-CB 4.49Å; F934-V966 HydrophobicContact CG-CG2 3.82Å; F934-Y976 HydrophobicContact CE1-CD2 4.35Å; F934-Y976 AromaticContact CE1-CE2 3.77Å; F934-Y976 HydrophobicContact CE1-CE2 3.77Å; F934-Y976 AromaticContact CE1-CZ 3.97Å; F934-Y976 HydrophobicContact CZ-CE1 4.17Å; F934-Y976 HydrophobicContact CZ-CE2 4.07Å; F934-Y976 AromaticContact CZ-CZ 3.86Å; F934-V992 HydrophobicContact CB-CB 4.34Å; F934-V992 HydrophobicContact CD1-CB 3.95Å; F934-V992 HydrophobicContact CD1-CG2 3.64Å; F934-V992 HydrophobicContact CE1-CG2 4.16Å; F934-V992 HydrophobicContact CG-CG2 4.49Å; F934-A993 CarbonylContact C-O 3.6Å; F934-A993 VanDerWaalsContact CA-O 3.23Å; F934-A993 WeakPolarHBondContact CA-O 3.47Å; F934-A993 WeakPolarHBondContact CD1-O 3.43Å; F934-E994 HydrophobicContact CD1-CB 4.14Å; F934-E994 HydrophobicContact CD2-CB 4.45Å; F934-E994 HydrophobicContact CD2-CG 4.49Å; F934-E994 HydrophobicContact CE1-CB 3.74Å; F934-E994 HydrophobicContact CE2-CB 4.08Å; F934-E994 HydrophobicContact CE2-CG 4.09Å; F934-E994 HydrophobicContact CG-CB 4.49Å; F934-E994 HydrophobicContact CZ-CB 3.72Å; F934-E994 HydrophobicContact CZ-CG 4.18Å
935V93.4Very high80.4Confident2 Ų266.8 Ų66.81%0.01236%0.356CS..EExtended strand (participates in β ladder)trans-119.3133.1169.9620000108.6Q962 I963 V992 A993 V995 L1012 L1017V935-Q962 WeakPolarHBondContact CA-O 3.33Å; V935-I963 HydrophobicContact CB-CD1 4.02Å; V935-I963 HydrophobicContact CG2-CD1 4.17Å; V935-V992 WeakPolarHBondContact O-CA 3.38Å; V935-A993 HydrophobicContact CG1-CB 4.23Å; V935-A993 PolarHBondContact N-O 2.9Å; V935-A993 PolarHBondContact O-N 3.23Å; V935-V995 HydrophobicContact CB-CG2 3.89Å; V935-V995 HydrophobicContact CG1-CG2 3.71Å; V935-L1012 HydrophobicContact CG2-CB 4.29Å; V935-L1017 HydrophobicContact CG1-CD1 4.17Å
936A94.3Very high82.2Confident2 Ų264.4 Ų64.42%0.01734%0.335CS..EExtended strand (participates in β ladder)trans-66.7131.3172.800000110.7F958 R959 G961 Q962 L964A936-F958 HydrophobicContact CB-CD2 3.39Å; A936-F958 HydrophobicContact CB-CE2 3.77Å; A936-F958 HydrophobicContact CB-CG 4.3Å; A936-R959 WeakPolarHBondContact CB-O 3.33Å; A936-G961 PolarHBondContact O-N 3.43Å; A936-Q962 HydrophobicContact CB-CB 4.43Å; A936-Q962 PolarHBondContact N-O 3.34Å; A936-L964 HydrophobicContact CB-CD1 4.35Å
937L90.7Very high83.8Confident66 Ų6666.6 Ų66.635%0.34636%0.359SS..SBendtrans-87.9-23177.5-65.1178.2000112.5E960 M991 A993L937-E960 WeakPolarHBondContact O-CG 3.49Å; L937-M991 PolarHBondContact N-O 3.4Å; L937-A993 HydrophobicContact CD1-CB 4.14Å; L937-A993 HydrophobicContact CD2-CB 3.83Å; L937-A993 HydrophobicContact CG-CB 4.07Å
938F91.1Very high85.2Confident113 Ų11363.6 Ų63.650%0.49635%0.347SS..SBendtrans-143.5165.1-177.2-53.6-70000109.7E960 M991F938-E960 PolarHBondContact O-N 3.33Å; F938-M991 HydrophobicContact CB-SD 4.26Å; F938-M991 HydrophobicContact CD2-SD 3.78Å; F938-M991 HydrophobicContact CG-SD 4.42Å
939D92.1Very high86.3Confident94 Ų9461 Ų6150%0.50335%0.348SS..  trans-67.2140.7166.2-75.3-18.8000110.2M945 R959 E960D939-M945 WeakPolarHBondContact O-CE 3.48Å; D939-R959 WeakPolarHBondContact OD1-CA 3.35Å; D939-R959 VanDerWaalsContact OD1-CB 3.23Å; D939-R959 WeakPolarHBondContact OD1-CB 3.47Å; D939-E960 PolarHBondContact OD1-N 3.48Å
940Y93.4Very high87.2Confident15 Ų1561.7 Ų61.76%0.05935%0.352CS..BIsolated β-bridgetrans-132.6119174.7-164.1-114.2000112.1P942 M945 E955 P957 F958 P988 M991Y940-P942 HydrophobicContact CD1-CG 4.13Å; Y940-P942 HydrophobicContact CE1-CB 4.29Å; Y940-P942 HydrophobicContact CE1-CG 3.83Å; Y940-M945 HydrophobicContact CD2-CB 4.48Å; Y940-M945 HydrophobicContact CD2-CE 4.06Å; Y940-M945 HydrophobicContact CE2-CB 3.99Å; Y940-E955 WeakPolarHBondContact CE1-OE2 3.22Å; Y940-E955 PolarHBondContact OH-OE2 2.91Å; Y940-P957 VanDerWaalsContact O-CA 3.3Å; Y940-P957 WeakPolarHBondContact O-CA 3.29Å; Y940-F958 VanDerWaalsContact CB-CZ 3.42Å; Y940-F958 AromaticContact CD1-CE1 3.89Å; Y940-F958 HydrophobicContact CD1-CE1 3.89Å; Y940-F958 HydrophobicContact CD1-CZ 4.06Å; Y940-F958 HydrophobicContact CG-CE1 4.15Å; Y940-F958 HydrophobicContact CG-CE2 4.27Å; Y940-F958 AromaticContact CG-CZ 3.86Å; Y940-F958 HydrophobicContact CG-CZ 3.86Å; Y940-F958 PolarHBondContact N-O 2.88Å; Y940-F958 PolarHBondContact O-N 2.93Å; Y940-F958 VanDerWaalsContact O-O 3.06Å; Y940-P988 HydrophobicContact CD1-CG 4.25Å; Y940-P988 HydrophobicContact CD2-CG 4.48Å; Y940-P988 HydrophobicContact CE1-CG 3.67Å; Y940-P988 HydrophobicContact CE2-CG 3.96Å; Y940-M991 HydrophobicContact CD2-CE 3.87Å; Y940-M991 HydrophobicContact CD2-CG 4.15Å; Y940-M991 HydrophobicContact CE2-CE 4.32Å
941D92.7Very high87.9Confident71 Ų7157.5 Ų57.538%0.3833%0.325SS..  trans-122.6105.2173.1173.337.2000108.5V943 S944 M945D941-V943 PolarHBondContact O-N 3.05Å; D941-S944 PolarHBondContact O-N 2.91Å; D941-S944 PolarHBondContact O-OG 3.17Å; D941-S944 WeakPolarHBondContact OD2-CB 3.47Å; D941-S944 PolarHBondContact OD2-OG 3.42Å; D941-M945 HydrophobicContact CB-CE 4.25Å; D941-M945 PolarHBondContact O-N 3.05Å
942P91.4Very high87.9Confident2 Ų257.1 Ų57.11%0.01333%0.332CS..Hα-helixtrans-58.1-32.1-176-24.732.6000113.5Y940 S944 S946 A951 E955 P957Y940-P942 HydrophobicContact CD1-CG 4.13Å; Y940-P942 HydrophobicContact CE1-CB 4.29Å; Y940-P942 HydrophobicContact CE1-CG 3.83Å; P942-S944 VanDerWaalsContact C-N 3.26Å; P942-S944 PolarHBondContact O-N 3.39Å; P942-S946 WeakPolarHBondContact O-CB 3.49Å; P942-S946 PolarHBondContact O-N 3.15Å; P942-A951 HydrophobicContact CB-CB 3.71Å; P942-A951 VanDerWaalsContact CB-O 3.31Å; P942-A951 WeakPolarHBondContact CB-O 3.48Å; P942-E955 HydrophobicContact CB-CB 3.91Å; P942-E955 HydrophobicContact CG-CB 3.79Å; P942-P957 HydrophobicContact CG-CB 4.34Å
943V87.2Confident87.7Confident116 Ų11662 Ų6270%0.70336%0.357SS*.Hα-helixtrans-68.5-24.3-176.4-177.50000112.6D941D941-V943 PolarHBondContact O-N 3.05Å
944S88.1Confident87.6Confident83 Ų8364.9 Ų64.958%0.5837%0.37SS*.Hα-helixtrans-113.6-16.3-17857.50000114.7D941 P942D941-S944 PolarHBondContact O-N 2.91Å; D941-S944 PolarHBondContact O-OG 3.17Å; D941-S944 WeakPolarHBondContact OD2-CB 3.47Å; D941-S944 PolarHBondContact OD2-OG 3.42Å; P942-S944 VanDerWaalsContact C-N 3.26Å; P942-S944 PolarHBondContact O-N 3.39Å
945M86.4Confident87.6Confident95 Ų9565.3 Ų65.347%0.46837%0.372SS..Hα-helixtrans-124.7-10.3-175.9-70.3-174.9-71.300115.5D939 Y940 D941D939-M945 WeakPolarHBondContact O-CE 3.48Å; Y940-M945 HydrophobicContact CD2-CB 4.48Å; Y940-M945 HydrophobicContact CD2-CE 4.06Å; Y940-M945 HydrophobicContact CE2-CB 3.99Å; D941-M945 HydrophobicContact CB-CE 4.25Å; D941-M945 PolarHBondContact O-N 3.05Å
946S84.4Confident87.6Confident18 Ų1865.3 Ų65.313%0.12637%0.372CS..  trans-87.9140.8168.1-172.50000110.3P942 N948 A951 E955P942-S946 WeakPolarHBondContact O-CB 3.49Å; P942-S946 PolarHBondContact O-N 3.15Å; S946-N948 PolarHBondContact O-N 3.29Å; S946-N948 PolarHBondContact OG-N 2.92Å; S946-A951 WeakPolarHBondContact OG-CB 3.43Å; S946-E955 WeakPolarHBondContact CB-OE1 3.31Å; S946-E955 PolarHBondContact OG-OE1 3.39Å
947P80.7Confident87.6Confident125 Ų12566.6 Ų66.681%0.81238%0.38SS*.SBendtrans-73.4-11169.432.2-36000112.9
948N77.1Confident87.7Confident78 Ų7863.8 Ų63.842%0.41737%0.365SS..  trans-83.4130.4-175.6-60.7-29.5000111.2S946 D950 A951 E955S946-N948 PolarHBondContact O-N 3.29Å; S946-N948 PolarHBondContact OG-N 2.92Å; N948-D950 PolarHBondContact O-N 2.96Å; N948-A951 HydrophobicContact CB-CB 4.15Å; N948-A951 VanDerWaalsContact O-CB 3.26Å; N948-A951 WeakPolarHBondContact O-CB 3.35Å; N948-A951 PolarHBondContact O-N 3.49Å; N948-E955 PolarHBondContact ND2-OE1 3.24Å
949P75.8Confident87.8Confident137 Ų13766.2 Ų66.289%0.8937%0.371SS*.THydrogen-bonded Turntrans-70.3-18.8-174.229.5-36.1000114.1
950D83.5Confident87.9Confident87 Ų8766 Ų6647%0.46537%0.367SS..THydrogen-bonded Turntrans-104.72.7-179.852.6-11.9000113.5N948 G952 E953 E954N948-D950 PolarHBondContact O-N 2.96Å; D950-G952 PolarHBondContact O-N 3.4Å; D950-E953 PolarHBondContact O-N 2.93Å; D950-E954 HydrophobicContact CB-CG 4.46Å; D950-E954 PolarHBondContact O-N 3.15Å
951A85.9Confident87.6Confident1 Ų165.5 Ų65.51%0.00837%0.366CS..Hα-helixtrans-52-31.6-17800000114.3P942 S946 N948 E953 E954 E955P942-A951 HydrophobicContact CB-CB 3.71Å; P942-A951 VanDerWaalsContact CB-O 3.31Å; P942-A951 WeakPolarHBondContact CB-O 3.48Å; S946-A951 WeakPolarHBondContact OG-CB 3.43Å; N948-A951 HydrophobicContact CB-CB 4.15Å; N948-A951 VanDerWaalsContact O-CB 3.26Å; N948-A951 WeakPolarHBondContact O-CB 3.35Å; N948-A951 PolarHBondContact O-N 3.49Å; A951-E953 PolarHBondContact O-N 3.18Å; A951-E954 PolarHBondContact O-N 2.93Å; A951-E955 HydrophobicContact CB-CG 4.16Å; A951-E955 VanDerWaalsContact CB-OE1 3.3Å; A951-E955 WeakPolarHBondContact CB-OE1 3.42Å; A951-E955 WeakPolarHBondContact O-CA 3.37Å; A951-E955 VanDerWaalsContact O-CB 3.31Å; A951-E955 WeakPolarHBondContact O-CB 3.45Å; A951-E955 PolarHBondContact O-N 3.46Å
952G83.6Confident87.6Confident48 Ų4863.5 Ų63.550%0.49536%0.355SS..Hα-helixtrans-66.1-18.3177.100000115.3D950D950-G952 PolarHBondContact O-N 3.4Å
953E84.6Confident87.6Confident144 Ų14463.9 Ų63.967%0.67336%0.356SS*.Hα-helixtrans-99.9-32.7174.2-64.5-165.6-176.300112.9R918 D950 A951R918-E953 IonicContact NH2-OE2 2.65Å; D950-E953 PolarHBondContact O-N 2.93Å; A951-E953 PolarHBondContact O-N 3.18Å
954E89.3Confident87.9Confident62 Ų6258.4 Ų58.429%0.2932%0.323SS..Hα-helixtrans-99.2-33.6-168.8-54.9-98.6124.200112.8R918 D950 A951 G985 Y986R918-E954 IonicContact CZ-OE1 3.43Å; R918-E954 IonicContact NH1-OE1 2.76Å; R918-E954 PolarHBondContact NH1-OE1 3.47Å; R918-E954 IonicContact NH2-OE1 3.39Å; R918-E954 PolarHBondContact NH2-OE1 2.97Å; D950-E954 HydrophobicContact CB-CG 4.46Å; D950-E954 PolarHBondContact O-N 3.15Å; A951-E954 PolarHBondContact O-N 2.93Å; E954-G985 VanDerWaalsContact O-CA 3.25Å; E954-G985 WeakPolarHBondContact O-CA 3.37Å; E954-Y986 WeakPolarHBondContact O-CD2 3.36Å; E954-Y986 PolarHBondContact O-N 2.9Å
955E94Very high88.1Confident12 Ų1257 Ų576%0.05631%0.306CS..BIsolated β-bridgetrans-99.3153.6-176.8-54.1-177.3-14400112.2Y940 P942 S946 N948 A951 P957Y940-E955 WeakPolarHBondContact CE1-OE2 3.22Å; Y940-E955 PolarHBondContact OH-OE2 2.91Å; P942-E955 HydrophobicContact CB-CB 3.91Å; P942-E955 HydrophobicContact CG-CB 3.79Å; S946-E955 WeakPolarHBondContact CB-OE1 3.31Å; S946-E955 PolarHBondContact OG-OE1 3.39Å; N948-E955 PolarHBondContact ND2-OE1 3.24Å; A951-E955 HydrophobicContact CB-CG 4.16Å; A951-E955 VanDerWaalsContact CB-OE1 3.3Å; A951-E955 WeakPolarHBondContact CB-OE1 3.42Å; A951-E955 WeakPolarHBondContact O-CA 3.37Å; A951-E955 VanDerWaalsContact O-CB 3.31Å; A951-E955 WeakPolarHBondContact O-CB 3.45Å; A951-E955 PolarHBondContact O-N 3.46Å; E955-P957 WeakPolarHBondContact O-CD 3.41Å
956L93.6Very high88.4Confident2 Ų252.5 Ų52.51%0.0128%0.284CS..  trans-93.8111.7-173.7-174.470.4000111.2F958 L964 R983 Y986 I987L956-F958 WeakPolarHBondContact O-CD1 3.32Å; L956-F958 WeakPolarHBondContact O-CE1 3.5Å; L956-L964 HydrophobicContact CD2-CD2 4.06Å; L956-R983 HydrophobicContact CD1-CB 3.69Å; L956-R983 WeakPolarHBondContact CD1-O 3.5Å; L956-Y986 WeakPolarHBondContact CB-O 3.47Å; L956-Y986 PolarHBondContact N-O 3.39Å; L956-I987 HydrophobicContact CB-CG1 4Å; L956-I987 HydrophobicContact CD2-CD1 3.7Å; L956-I987 HydrophobicContact CD2-CG1 3.78Å
957P93.1Very high88.7Confident29 Ų2953.2 Ų53.219%0.18829%0.285CS..  trans-70.9134.2169.426.7-35.1000112.2Y940 P942 E955 R983Y940-P957 VanDerWaalsContact O-CA 3.3Å; Y940-P957 WeakPolarHBondContact O-CA 3.29Å; P942-P957 HydrophobicContact CG-CB 4.34Å; E955-P957 WeakPolarHBondContact O-CD 3.41Å; P957-R983 VanDerWaalsContact CG-NH2 3.35Å
958F94.6Very high89Confident7 Ų747.7 Ų47.73%0.03125%0.251CS..BIsolated β-bridgetrans-147.2172.7178.953.2-102.3000112.4A936 Y940 L956 L964 I987 M991 V992A936-F958 HydrophobicContact CB-CD2 3.39Å; A936-F958 HydrophobicContact CB-CE2 3.77Å; A936-F958 HydrophobicContact CB-CG 4.3Å; Y940-F958 VanDerWaalsContact CB-CZ 3.42Å; Y940-F958 AromaticContact CD1-CE1 3.89Å; Y940-F958 HydrophobicContact CD1-CE1 3.89Å; Y940-F958 HydrophobicContact CD1-CZ 4.06Å; Y940-F958 HydrophobicContact CG-CE1 4.15Å; Y940-F958 HydrophobicContact CG-CE2 4.27Å; Y940-F958 AromaticContact CG-CZ 3.86Å; Y940-F958 HydrophobicContact CG-CZ 3.86Å; Y940-F958 PolarHBondContact N-O 2.88Å; Y940-F958 PolarHBondContact O-N 2.93Å; Y940-F958 VanDerWaalsContact O-O 3.06Å; L956-F958 WeakPolarHBondContact O-CD1 3.32Å; L956-F958 WeakPolarHBondContact O-CE1 3.5Å; F958-L964 HydrophobicContact CB-CD1 4.24Å; F958-L964 HydrophobicContact CB-CD2 3.93Å; F958-L964 HydrophobicContact CD1-CD1 3.75Å; F958-L964 HydrophobicContact CD1-CD2 4.45Å; F958-L964 HydrophobicContact CD2-CD1 4.21Å; F958-L964 HydrophobicContact CE1-CD1 4.14Å; F958-L964 HydrophobicContact CG-CD1 3.81Å; F958-L964 HydrophobicContact CG-CD2 4.36Å; F958-L964 HydrophobicContact CZ-CD1 4.49Å; F958-I987 HydrophobicContact CE1-CB 4.45Å; F958-I987 HydrophobicContact CE1-CG1 4.41Å; F958-I987 HydrophobicContact CE1-CG2 3.84Å; F958-I987 HydrophobicContact CZ-CG2 4.21Å; F958-M991 HydrophobicContact CE2-CB 3.95Å; F958-M991 HydrophobicContact CZ-CB 3.76Å; F958-V992 HydrophobicContact CE1-CG1 4.48Å; F958-V992 HydrophobicContact CE2-CG1 4.12Å; F958-V992 HydrophobicContact CZ-CG1 3.88Å
959R92.5Very high89.4Confident165 Ų16550 Ų5062%0.62326%0.263SS*.  trans-122.6153.7-179.6-66.6-172.9-179.9-164-3.9113.1A936 D939 G961 Q962 Y1011A936-R959 WeakPolarHBondContact CB-O 3.33Å; D939-R959 WeakPolarHBondContact OD1-CA 3.35Å; D939-R959 VanDerWaalsContact OD1-CB 3.23Å; D939-R959 WeakPolarHBondContact OD1-CB 3.47Å; R959-G961 PolarHBondContact O-N 2.91Å; R959-Q962 VanDerWaalsContact N-OE1 3.09Å; R959-Q962 WeakPolarHBondContact O-CB 3.33Å; R959-Q962 PolarHBondContact O-N 3.46Å; R959-Y1011 HydrophobicContact CB-CE2 4.34Å; R959-Y1011 WeakPolarHBondContact CB-OH 3.4Å
960E92.9Very high90.1Very high90 Ų9048.9 Ų48.942%0.42124%0.244SC..THydrogen-bonded Turntrans-51.4124.2176.9177.9179.2164.700110.6L937 F938 D939 Y1011L937-E960 WeakPolarHBondContact O-CG 3.49Å; F938-E960 PolarHBondContact O-N 3.33Å; D939-E960 PolarHBondContact OD1-N 3.48Å; E960-Y1011 WeakPolarHBondContact O-CE1 3.38Å; E960-Y1011 PolarHBondContact O-OH 2.84Å
961G87.4Confident90.3Very high4 Ų447.6 Ų47.64%0.04124%0.237CC..THydrogen-bonded Turntrans87-6.8-176.200000115.2A936 R959 Y1011 L1012A936-G961 PolarHBondContact O-N 3.43Å; R959-G961 PolarHBondContact O-N 2.91Å; G961-Y1011 CarbonylContact O-C 3.53Å; G961-Y1011 WeakPolarHBondContact O-CA 3.5Å; G961-L1012 VanDerWaalsContact CA-O 3.24Å; G961-L1012 WeakPolarHBondContact CA-O 3.36Å; G961-L1012 PolarHBondContact O-N 3.3Å
962Q92.5Very high90.1Very high29 Ų2952.7 Ų52.714%0.13628%0.279CS..BIsolated β-bridgetrans-64.7138.3176-175.4175.2-29.100111.3V935 A936 R959 L964 Y1011V935-Q962 WeakPolarHBondContact CA-O 3.33Å; A936-Q962 HydrophobicContact CB-CB 4.43Å; A936-Q962 PolarHBondContact N-O 3.34Å; R959-Q962 VanDerWaalsContact N-OE1 3.09Å; R959-Q962 WeakPolarHBondContact O-CB 3.33Å; R959-Q962 PolarHBondContact O-N 3.46Å; Q962-L964 HydrophobicContact CG-CD2 4.13Å; Q962-Y1011 HydrophobicContact CB-CD2 4.26Å; Q962-Y1011 HydrophobicContact CB-CE2 4.01Å
963I92.3Very high90.1Very high10 Ų1056.8 Ų56.85%0.05129%0.29CS..EExtended strand (participates in β ladder)trans-85.4129.9173.7-65.2-57.1000110.4I933 F934 V935 L1007 G1010 L1012I933-I963 HydrophobicContact CG2-CG2 3.83Å; F934-I963 WeakPolarHBondContact O-CA 3.45Å; V935-I963 HydrophobicContact CB-CD1 4.02Å; V935-I963 HydrophobicContact CG2-CD1 4.17Å; I963-L1007 HydrophobicContact CG2-CD2 4Å; I963-G1010 PolarHBondContact N-O 3.47Å; I963-L1012 HydrophobicContact CD1-CB 4.22Å; I963-L1012 HydrophobicContact CD1-CD1 3.54Å; I963-L1012 HydrophobicContact CD1-CG 3.61Å; I963-L1012 HydrophobicContact CG1-CG 4.12Å
964L93.6Very high90.4Very high0 Ų050.6 Ų50.60%026%0.264CS..EExtended strand (participates in β ladder)trans-121.5141.5-177.2-56.3173.2000109.7F934 A936 L956 F958 Q962 I987 V992F934-L964 HydrophobicContact CB-CB 4.4Å; F934-L964 PolarHBondContact N-O 3.5Å; F934-L964 PolarHBondContact O-N 2.96Å; A936-L964 HydrophobicContact CB-CD1 4.35Å; L956-L964 HydrophobicContact CD2-CD2 4.06Å; F958-L964 HydrophobicContact CB-CD1 4.24Å; F958-L964 HydrophobicContact CB-CD2 3.93Å; F958-L964 HydrophobicContact CD1-CD1 3.75Å; F958-L964 HydrophobicContact CD1-CD2 4.45Å; F958-L964 HydrophobicContact CD2-CD1 4.21Å; F958-L964 HydrophobicContact CE1-CD1 4.14Å; F958-L964 HydrophobicContact CG-CD1 3.81Å; F958-L964 HydrophobicContact CG-CD2 4.36Å; F958-L964 HydrophobicContact CZ-CD1 4.49Å; Q962-L964 HydrophobicContact CG-CD2 4.13Å; L964-I987 HydrophobicContact CB-CD1 4.29Å; L964-I987 HydrophobicContact CD1-CD1 4.22Å; L964-I987 HydrophobicContact CD1-CG2 4.3Å; L964-V992 HydrophobicContact CD1-CG1 3.69Å
965K92.8Very high90.5Very high54 Ų5449.9 Ų49.924%0.23526%0.261CS..EExtended strand (participates in β ladder)trans-90.8131.2167.3-61.3168.1-172.3161.40107.7V931 F967 G978 E979 L1007V931-K965 HydrophobicContact CG1-CB 3.95Å; V931-K965 HydrophobicContact CG1-CG 4.21Å; K965-F967 HydrophobicContact CB-CZ 4.22Å; K965-F967 HydrophobicContact CD-CZ 4.47Å; K965-G978 CarbonylContact O-C 3.6Å; K965-G978 WeakPolarHBondContact O-CA 3.46Å; K965-E979 HydrophobicContact CB-CB 4.28Å; K965-E979 HydrophobicContact CD-CB 4.22Å; K965-E979 WeakPolarHBondContact CD-OE2 3.35Å; K965-E979 PolarHBondContact N-O 2.91Å; K965-E979 IonicContact NZ-OE1 2.75Å; K965-E979 PolarHBondContact NZ-OE1 2.97Å; K965-E979 IonicContact NZ-OE2 3.19Å; K965-E979 PolarHBondContact NZ-OE2 3.24Å; K965-E979 PolarHBondContact O-N 2.93Å; K965-L1007 HydrophobicContact CD-CD2 4.29Å; K965-L1007 HydrophobicContact CG-CD2 3.57Å
966V93.1Very high90.5Very high0 Ų050.9 Ų50.90%026%0.264CS..EExtended strand (participates in β ladder)trans-114.1137.9172.5165.90000109.2R932 F934 Y976 I987R932-V966 HydrophobicContact CB-CB 4.4Å; R932-V966 PolarHBondContact N-O 3.01Å; R932-V966 PolarHBondContact O-N 3.1Å; F934-V966 HydrophobicContact CB-CG2 4.21Å; F934-V966 HydrophobicContact CD2-CB 3.59Å; F934-V966 HydrophobicContact CD2-CG1 4.32Å; F934-V966 HydrophobicContact CD2-CG2 3.39Å; F934-V966 HydrophobicContact CE2-CB 3.67Å; F934-V966 HydrophobicContact CE2-CG1 3.91Å; F934-V966 HydrophobicContact CE2-CG2 3.8Å; F934-V966 HydrophobicContact CG-CB 4.49Å; F934-V966 HydrophobicContact CG-CG2 3.82Å; V966-Y976 HydrophobicContact CG1-CD1 3.67Å; V966-Y976 HydrophobicContact CG1-CE1 4.48Å; V966-Y976 HydrophobicContact CG1-CG 3.91Å; V966-Y976 HydrophobicContact CG2-CG 4.37Å; V966-I987 HydrophobicContact CG2-CD1 4.17Å
967F90.7Very high90.5Very high34 Ų3453.3 Ų53.315%0.14928%0.275CS..EExtended strand (participates in β ladder)trans-110.6114.1179.3-51.5-75.8000109.4Y926 V931 K965 Q977 E979Y926-F967 HydrophobicContact CD1-CB 4.4Å; V931-F967 HydrophobicContact CG1-CE1 4.29Å; V931-F967 HydrophobicContact CG2-CD1 3.95Å; V931-F967 HydrophobicContact CG2-CE1 3.85Å; K965-F967 HydrophobicContact CB-CZ 4.22Å; K965-F967 HydrophobicContact CD-CZ 4.47Å; F967-Q977 PolarHBondContact N-O 3.25Å; F967-E979 HydrophobicContact CE2-CB 3.82Å; F967-E979 HydrophobicContact CZ-CB 4.02Å
968G85.5Confident90.5Very high8 Ų852 Ų528%0.08227%0.266CS..SBendtrans82.5-153.1-179.900000114.3R932R932-G968 PolarHBondContact NH1-O 3.02Å; R932-G968 VanDerWaalsContact NH1-O 3.15Å
969D86.6Confident90.4Very high127 Ų12754.1 Ų54.168%0.67928%0.277SS*.SBendtrans-105174.2174.8-71-54.8000110.1R932R932-D969 IonicContact CZ-OD1 3.53Å; R932-D969 IonicContact NH1-OD1 2.74Å; R932-D969 PolarHBondContact NH1-OD1 3.24Å
970K89Confident90.2Very high114 Ų11446.4 Ų46.450%0.49625%0.249SC..  trans-70.5148.9175.261.5177-166.3154.80111.1F975 Y976 C989K970-F975 CarbonylContact C-O 3.59Å; K970-F975 WeakPolarHBondContact CA-O 3.48Å; K970-F975 WeakPolarHBondContact CB-O 3.46Å; K970-Y976 HydrophobicContact CB-CD1 3.77Å; K970-Y976 HydrophobicContact CB-CE1 3.62Å; K970-Y976 HydrophobicContact CB-CG 4.34Å; K970-Y976 HydrophobicContact CG-CE1 4.3Å; K970-C989 HydrophobicContact CD-CB 4.45Å
971D89.5Confident89.5Confident60 Ų6045.9 Ų45.932%0.32127%0.267SS..  trans-73.1-177.3170.554.239.1000112.3D973 G974 F975D971-D973 PolarHBondContact O-N 3.46Å; D971-D973 PolarHBondContact OD1-N 3.39Å; D971-D973 VanDerWaalsContact OD1-N 3.16Å; D971-G974 PolarHBondContact O-N 3.08Å; D971-G974 PolarHBondContact OD1-N 3.01Å; D971-F975 VanDerWaalsContact CG-O 3.26Å; D971-F975 PolarHBondContact N-O 2.9Å; D971-F975 PolarHBondContact OD1-N 3.39Å; D971-F975 WeakPolarHBondContact OD2-CB 3.47Å
972A80.3Confident89.1Confident108 Ų10848.8 Ų48.889%0.89330%0.297SS*.THydrogen-bonded Turntrans-63.8-31.1179.200000112.5G974A972-G974 VanDerWaalsContact C-N 3.3Å
973D83.8Confident88.8Confident134 Ų13454.6 Ų54.672%0.71732%0.318SS*.THydrogen-bonded Turntrans-84.9-4.8-177.3-53.8-65.1000112.6D971 F975D971-D973 PolarHBondContact O-N 3.46Å; D971-D973 PolarHBondContact OD1-N 3.39Å; D971-D973 VanDerWaalsContact OD1-N 3.16Å; D973-F975 HydrophobicContact CB-CD2 4.1Å; D973-F975 HydrophobicContact CB-CE2 4.48Å
974G90.3Very high88.8Confident13 Ų1359.1 Ų59.113%0.13435%0.346CS..SBendtrans88.617.1175.400000114.6D971 A972 C989D971-G974 PolarHBondContact O-N 3.08Å; D971-G974 PolarHBondContact OD1-N 3.01Å; A972-G974 VanDerWaalsContact C-N 3.3Å; G974-C989 WeakPolarHBondContact O-CB 3.47Å; G974-C989 PolarHBondContact O-N 2.92Å; G974-C989 PolarHBondContact O-SG 3.33Å
975F93.3Very high88.7Confident48 Ų4859.6 Ų59.621%0.21135%0.351CS..EExtended strand (participates in β ladder)trans-97.9146.4175-67.4-105.6000110.8K970 D971 D973 Y986 I987 P988K970-F975 CarbonylContact C-O 3.59Å; K970-F975 WeakPolarHBondContact CA-O 3.48Å; K970-F975 WeakPolarHBondContact CB-O 3.46Å; D971-F975 VanDerWaalsContact CG-O 3.26Å; D971-F975 PolarHBondContact N-O 2.9Å; D971-F975 PolarHBondContact OD1-N 3.39Å; D971-F975 WeakPolarHBondContact OD2-CB 3.47Å; D973-F975 HydrophobicContact CB-CD2 4.1Å; D973-F975 HydrophobicContact CB-CE2 4.48Å; F975-Y986 HydrophobicContact CB-CD1 4.23Å; F975-I987 WeakPolarHBondContact CA-O 3.39Å; F975-P988 HydrophobicContact CD1-CB 4.3Å; F975-P988 HydrophobicContact CD1-CG 4.13Å; F975-P988 HydrophobicContact CE1-CB 4.07Å; F975-P988 HydrophobicContact CE1-CG 3.75Å
976Y93.9Very high88.8Confident32 Ų3261 Ų6113%0.12536%0.355CS..EExtended strand (participates in β ladder)trans-99.9140.5167.2-67.6-70.6000109F934 V966 K970 Y986 I987 C989 V992F934-Y976 HydrophobicContact CE1-CD2 4.35Å; F934-Y976 AromaticContact CE1-CE2 3.77Å; F934-Y976 HydrophobicContact CE1-CE2 3.77Å; F934-Y976 AromaticContact CE1-CZ 3.97Å; F934-Y976 HydrophobicContact CZ-CE1 4.17Å; F934-Y976 HydrophobicContact CZ-CE2 4.07Å; F934-Y976 AromaticContact CZ-CZ 3.86Å; V966-Y976 HydrophobicContact CG1-CD1 3.67Å; V966-Y976 HydrophobicContact CG1-CE1 4.48Å; V966-Y976 HydrophobicContact CG1-CG 3.91Å; V966-Y976 HydrophobicContact CG2-CG 4.37Å; K970-Y976 HydrophobicContact CB-CD1 3.77Å; K970-Y976 HydrophobicContact CB-CE1 3.62Å; K970-Y976 HydrophobicContact CB-CG 4.34Å; K970-Y976 HydrophobicContact CG-CE1 4.3Å; Y976-Y986 CarbonylContact O-C 3.21Å; Y976-Y986 WeakPolarHBondContact O-CA 3.49Å; Y976-I987 PolarHBondContact N-O 2.73Å; Y976-I987 WeakPolarHBondContact O-CB 3.45Å; Y976-I987 PolarHBondContact O-N 2.78Å; Y976-C989 HydrophobicContact CD2-CB 3.86Å; Y976-C989 HydrophobicContact CE2-CB 3.39Å; Y976-V992 HydrophobicContact CD2-CG2 4.05Å; Y976-V992 HydrophobicContact CE2-CG2 4.18Å
977Q92.8Very high88.9Confident54 Ų5461 Ų6125%0.25236%0.355SS..EExtended strand (participates in β ladder)trans-84.1132.7166.9-158.4171.723.600110.3Y926 F967Y926-Q977 PolarHBondContact OH-NE2 3.31Å; Y926-Q977 PolarHBondContact OH-OE1 3.38Å; F967-Q977 PolarHBondContact N-O 3.25Å
978G92.9Very high89.1Confident0 Ų060.2 Ų60.20%035%0.354CS..EExtended strand (participates in β ladder)trans-159.1179.5-17500000116.4K965 T984 G985K965-G978 CarbonylContact O-C 3.6Å; K965-G978 WeakPolarHBondContact O-CA 3.46Å; G978-T984 CarbonylContact O-C 3.49Å; G978-T984 VanDerWaalsContact O-CA 3.24Å; G978-T984 WeakPolarHBondContact O-CA 3.5Å; G978-G985 PolarHBondContact N-O 3.41Å; G978-G985 PolarHBondContact O-N 3.33Å
979E93.1Very high89.4Confident53 Ų5361.2 Ų61.225%0.24836%0.359CS..EExtended strand (participates in β ladder)trans-131.9131.1-178.4-173.1-148131.100110.6K965 F967 R983 T984K965-E979 HydrophobicContact CB-CB 4.28Å; K965-E979 HydrophobicContact CD-CB 4.22Å; K965-E979 WeakPolarHBondContact CD-OE2 3.35Å; K965-E979 PolarHBondContact N-O 2.91Å; K965-E979 IonicContact NZ-OE1 2.75Å; K965-E979 PolarHBondContact NZ-OE1 2.97Å; K965-E979 IonicContact NZ-OE2 3.19Å; K965-E979 PolarHBondContact NZ-OE2 3.24Å; K965-E979 PolarHBondContact O-N 2.93Å; F967-E979 HydrophobicContact CE2-CB 3.82Å; F967-E979 HydrophobicContact CZ-CB 4.02Å; E979-R983 CarbonylContact C-O 3.51Å; E979-R983 WeakPolarHBondContact CA-O 3.38Å; E979-R983 WeakPolarHBondContact CG-O 3.3Å; E979-T984 HydrophobicContact CB-CG2 3.99Å; E979-T984 HydrophobicContact CG-CG2 3.97Å
980G87.6Confident89.7Confident3 Ų361.6 Ų61.63%0.03136%0.361CS..EExtended strand (participates in β ladder)trans-150.1134.4179.300000111.1G982 R983G980-G982 PolarHBondContact O-N 3.43Å; G980-G982 VanDerWaalsContact O-N 3.07Å; G980-R983 PolarHBondContact N-O 2.95Å; G980-R983 PolarHBondContact O-N 3.42Å
981G77.6Confident89.8Confident79 Ų7958.2 Ų58.281%0.81435%0.347SS*.THydrogen-bonded Turntrans60.219.3-179.700000115.1
982G80.8Confident90Very high65 Ų6555.8 Ų55.867%0.6734%0.335SS*.THydrogen-bonded Turntrans83.77.7-175.900000115.3G980G980-G982 PolarHBondContact O-N 3.43Å; G980-G982 VanDerWaalsContact O-N 3.07Å
983R86.3Confident90.6Very high150 Ų15052.3 Ų52.357%0.56631%0.306SS*.EExtended strand (participates in β ladder)trans-106.8151.9167.9-71.4-176.2-73.3-167.3-4.5110.2L956 P957 E979 G980L956-R983 HydrophobicContact CD1-CB 3.69Å; L956-R983 WeakPolarHBondContact CD1-O 3.5Å; P957-R983 VanDerWaalsContact CG-NH2 3.35Å; E979-R983 CarbonylContact C-O 3.51Å; E979-R983 WeakPolarHBondContact CA-O 3.38Å; E979-R983 WeakPolarHBondContact CG-O 3.3Å; G980-R983 PolarHBondContact N-O 2.95Å; G980-R983 PolarHBondContact O-N 3.42Å
984T90.8Very high91Very high106 Ų10650.5 Ų50.565%0.6529%0.293SS*.EExtended strand (participates in β ladder)trans-113.1143.4171.948.20000109.9G978 E979G978-T984 CarbonylContact O-C 3.49Å; G978-T984 VanDerWaalsContact O-CA 3.24Å; G978-T984 WeakPolarHBondContact O-CA 3.5Å; E979-T984 HydrophobicContact CB-CG2 3.99Å; E979-T984 HydrophobicContact CG-CG2 3.97Å
985G93.1Very high90.9Very high9 Ų951.4 Ų51.49%0.09330%0.296CS..EExtended strand (participates in β ladder)trans178.9-177.617700000111.7E954 G978E954-G985 VanDerWaalsContact O-CA 3.25Å; E954-G985 WeakPolarHBondContact O-CA 3.37Å; G978-G985 PolarHBondContact N-O 3.41Å; G978-G985 PolarHBondContact O-N 3.33Å
986Y94.1Very high90.2Very high85 Ų8553.4 Ų53.433%0.33332%0.321SS..EExtended strand (participates in β ladder)trans-75.7148174.4-63.7-76000112.4E954 L956 F975 Y976E954-Y986 WeakPolarHBondContact O-CD2 3.36Å; E954-Y986 PolarHBondContact O-N 2.9Å; L956-Y986 WeakPolarHBondContact CB-O 3.47Å; L956-Y986 PolarHBondContact N-O 3.39Å; F975-Y986 HydrophobicContact CB-CD1 4.23Å; Y976-Y986 CarbonylContact O-C 3.21Å; Y976-Y986 WeakPolarHBondContact O-CA 3.49Å
987I95.5Very high89.4Confident0 Ų053 Ų530%032%0.322CS..EExtended strand (participates in β ladder)trans-131.5113.5-174.4-63.4171.7000107.7L956 F958 L964 V966 F975 Y976 C989 V992L956-I987 HydrophobicContact CB-CG1 4Å; L956-I987 HydrophobicContact CD2-CD1 3.7Å; L956-I987 HydrophobicContact CD2-CG1 3.78Å; F958-I987 HydrophobicContact CE1-CB 4.45Å; F958-I987 HydrophobicContact CE1-CG1 4.41Å; F958-I987 HydrophobicContact CE1-CG2 3.84Å; F958-I987 HydrophobicContact CZ-CG2 4.21Å; L964-I987 HydrophobicContact CB-CD1 4.29Å; L964-I987 HydrophobicContact CD1-CD1 4.22Å; L964-I987 HydrophobicContact CD1-CG2 4.3Å; V966-I987 HydrophobicContact CG2-CD1 4.17Å; F975-I987 WeakPolarHBondContact CA-O 3.39Å; Y976-I987 PolarHBondContact N-O 2.73Å; Y976-I987 WeakPolarHBondContact O-CB 3.45Å; Y976-I987 PolarHBondContact O-N 2.78Å; I987-C989 PolarHBondContact O-N 3.37Å; I987-V992 HydrophobicContact CG2-CB 4.32Å; I987-V992 HydrophobicContact CG2-CG1 3.48Å; I987-V992 VanDerWaalsContact CG2-CG1 3.48Å; I987-V992 HydrophobicContact CG2-CG2 3.86Å
988P93.5Very high88.5Confident17 Ų1758.1 Ų58.111%0.1135%0.351CS..EExtended strand (participates in β ladder)trans-61.2128.1179-17.125.2000111.5Y940 F975 N990 M991Y940-P988 HydrophobicContact CD1-CG 4.25Å; Y940-P988 HydrophobicContact CD2-CG 4.48Å; Y940-P988 HydrophobicContact CE1-CG 3.67Å; Y940-P988 HydrophobicContact CE2-CG 3.96Å; F975-P988 HydrophobicContact CD1-CB 4.3Å; F975-P988 HydrophobicContact CD1-CG 4.13Å; F975-P988 HydrophobicContact CE1-CB 4.07Å; F975-P988 HydrophobicContact CE1-CG 3.75Å; P988-N990 PolarHBondContact O-N 2.92Å; P988-N990 VanDerWaalsContact O-N 3.15Å; P988-M991 HydrophobicContact CB-CG 4.17Å; P988-M991 HydrophobicContact CG-CG 4.45Å; P988-M991 PolarHBondContact O-N 2.97Å; P988-M991 VanDerWaalsContact O-N 3.13Å
989C92.4Very high87.9Confident28 Ų2860.8 Ų60.819%0.18937%0.37CS..G310 helixtrans-61.8-28.8-174.6700000113.9K970 G974 Y976 I987 M991K970-C989 HydrophobicContact CD-CB 4.45Å; G974-C989 WeakPolarHBondContact O-CB 3.47Å; G974-C989 PolarHBondContact O-N 2.92Å; G974-C989 PolarHBondContact O-SG 3.33Å; Y976-C989 HydrophobicContact CD2-CB 3.86Å; Y976-C989 HydrophobicContact CE2-CB 3.39Å; I987-C989 PolarHBondContact O-N 3.37Å; C989-M991 PolarHBondContact O-N 2.92Å
990N93.1Very high87Confident136 Ų13663.3 Ų63.373%0.72739%0.391SS*.G310 helixtrans-71-18-178.4-64.5-18.3000113.4P988P988-N990 PolarHBondContact O-N 2.92Å; P988-N990 VanDerWaalsContact O-N 3.15Å
991M92.1Very high86.5Confident42 Ų4266.6 Ų66.621%0.20742%0.418CS..G310 helixtrans-96-1.3-176.6-62.4-55.4-13700113.6L937 F938 Y940 F958 P988 C989L937-M991 PolarHBondContact N-O 3.4Å; F938-M991 HydrophobicContact CB-SD 4.26Å; F938-M991 HydrophobicContact CD2-SD 3.78Å; F938-M991 HydrophobicContact CG-SD 4.42Å; Y940-M991 HydrophobicContact CD2-CE 3.87Å; Y940-M991 HydrophobicContact CD2-CG 4.15Å; Y940-M991 HydrophobicContact CE2-CE 4.32Å; F958-M991 HydrophobicContact CE2-CB 3.95Å; F958-M991 HydrophobicContact CZ-CB 3.76Å; P988-M991 HydrophobicContact CB-CG 4.17Å; P988-M991 HydrophobicContact CG-CG 4.45Å; P988-M991 PolarHBondContact O-N 2.97Å; P988-M991 VanDerWaalsContact O-N 3.13Å; C989-M991 PolarHBondContact O-N 2.92Å
992V93.1Very high86.6Confident10 Ų1063.6 Ų63.66%0.06139%0.387CS..EExtended strand (participates in β ladder)trans-138.2146.6-171.6-61.50000112.8F934 V935 F958 L964 Y976 I987F934-V992 HydrophobicContact CB-CB 4.34Å; F934-V992 HydrophobicContact CD1-CB 3.95Å; F934-V992 HydrophobicContact CD1-CG2 3.64Å; F934-V992 HydrophobicContact CE1-CG2 4.16Å; F934-V992 HydrophobicContact CG-CG2 4.49Å; V935-V992 WeakPolarHBondContact O-CA 3.38Å; F958-V992 HydrophobicContact CE1-CG1 4.48Å; F958-V992 HydrophobicContact CE2-CG1 4.12Å; F958-V992 HydrophobicContact CZ-CG1 3.88Å; L964-V992 HydrophobicContact CD1-CG1 3.69Å; Y976-V992 HydrophobicContact CD2-CG2 4.05Å; Y976-V992 HydrophobicContact CE2-CG2 4.18Å; I987-V992 HydrophobicContact CG2-CB 4.32Å; I987-V992 HydrophobicContact CG2-CG1 3.48Å; I987-V992 VanDerWaalsContact CG2-CG1 3.48Å; I987-V992 HydrophobicContact CG2-CG2 3.86Å
993A92.5Very high86.5Confident34 Ų3464.7 Ų64.728%0.28137%0.37SS..EExtended strand (participates in β ladder)trans-117.1139173.200000111.3F934 V935 L937F934-A993 CarbonylContact C-O 3.6Å; F934-A993 VanDerWaalsContact CA-O 3.23Å; F934-A993 WeakPolarHBondContact CA-O 3.47Å; F934-A993 WeakPolarHBondContact CD1-O 3.43Å; V935-A993 HydrophobicContact CG1-CB 4.23Å; V935-A993 PolarHBondContact N-O 2.9Å; V935-A993 PolarHBondContact O-N 3.23Å; L937-A993 HydrophobicContact CD1-CB 4.14Å; L937-A993 HydrophobicContact CD2-CB 3.83Å; L937-A993 HydrophobicContact CG-CB 4.07Å
994E92.3Very high86Confident96 Ų9663.5 Ų63.545%0.44937%0.371SS..EExtended strand (participates in β ladder)trans-71.7130174.5-176.4164.9-153.300110.9R932 F934R932-E994 WeakPolarHBondContact CG-OE1 3.42Å; R932-E994 IonicContact CZ-OE1 2.95Å; R932-E994 IonicContact CZ-OE2 2.61Å; R932-E994 IonicContact NE-OE1 3.45Å; R932-E994 PolarHBondContact NE-OE1 2.99Å; R932-E994 IonicContact NE-OE2 2.66Å; R932-E994 PolarHBondContact NE-OE2 2.93Å; R932-E994 IonicContact NH2-OE1 2.91Å; R932-E994 IonicContact NH2-OE2 2.72Å; R932-E994 PolarHBondContact NH2-OE2 2.86Å; F934-E994 HydrophobicContact CD1-CB 4.14Å; F934-E994 HydrophobicContact CD2-CB 4.45Å; F934-E994 HydrophobicContact CD2-CG 4.49Å; F934-E994 HydrophobicContact CE1-CB 3.74Å; F934-E994 HydrophobicContact CE2-CB 4.08Å; F934-E994 HydrophobicContact CE2-CG 4.09Å; F934-E994 HydrophobicContact CG-CB 4.49Å; F934-E994 HydrophobicContact CZ-CB 3.72Å; F934-E994 HydrophobicContact CZ-CG 4.18Å
995V88.4Confident85.3Confident32 Ų3263.6 Ų63.619%0.19437%0.365CS..  trans-94.5100.5171.7-169.40000108I933 V935 V997 L1006I933-V995 HydrophobicContact CG2-CB 4.36Å; I933-V995 PolarHBondContact O-N 3.01Å; V935-V995 HydrophobicContact CB-CG2 3.89Å; V935-V995 HydrophobicContact CG1-CG2 3.71Å; V995-V997 HydrophobicContact CB-CG2 4.49Å; V995-V997 HydrophobicContact CG1-CG2 3.83Å; V995-V997 PolarHBondContact O-N 3.26Å; V995-L1006 HydrophobicContact CB-CD1 4.45Å; V995-L1006 HydrophobicContact CG1-CD1 3.82Å
996A79.1Confident84.8Confident90 Ų9064.2 Ų64.274%0.74437%0.366SS*.  trans-62.6109174.900000110.4
997V77Confident84.2Confident24 Ų2463.3 Ų63.315%0.14537%0.366CS..  trans-129109.1176.3-171.10000110.5V995 S999 R1003 L1006V995-V997 HydrophobicContact CB-CG2 4.49Å; V995-V997 HydrophobicContact CG1-CG2 3.83Å; V995-V997 PolarHBondContact O-N 3.26Å; V997-S999 VanDerWaalsContact C-N 3.3Å; V997-S999 WeakPolarHBondContact CG1-O 3.37Å; V997-S999 PolarHBondContact O-N 2.91Å; V997-R1003 HydrophobicContact CB-CG 3.76Å; V997-R1003 HydrophobicContact CG1-CG 3.91Å; V997-R1003 PolarHBondContact O-NE 2.87Å; V997-R1003 PolarHBondContact O-NH2 3.12Å; V997-L1006 HydrophobicContact CG2-CD1 3.72Å
998D73.9Confident83.3Confident161 Ų16170.8 Ų70.886%0.86140%0.401SS*.  trans-78.2-11.5-175.3-56.9-40.5000113.9
999S79.8Confident82.5Confident56 Ų5677.1 Ų77.139%0.39242%0.423SS..  trans-113135.2178770000112.8V997 A1001 G1002 R1003V997-S999 VanDerWaalsContact C-N 3.3Å; V997-S999 WeakPolarHBondContact CG1-O 3.37Å; V997-S999 PolarHBondContact O-N 2.91Å; S999-A1001 PolarHBondContact O-N 3.43Å; S999-G1002 PolarHBondContact O-N 2.84Å; S999-G1002 VanDerWaalsContact O-N 3.17Å; S999-G1002 PolarHBondContact OG-N 3.21Å; S999-G1002 VanDerWaalsContact OG-N 3.08Å; S999-R1003 PolarHBondContact O-N 2.95Å
1000P75Confident81.8Confident107 Ų10777.3 Ų77.370%0.69543%0.43SS*.Hα-helixtrans-63.9-30.3176.325.3-33.5000112.1R1003 Q1004P1000-R1003 PolarHBondContact O-N 2.64Å; P1000-Q1004 PolarHBondContact O-N 2.95Å
1001A77.1Confident81.3Confident72 Ų7275.7 Ų75.760%0.59541%0.414SS*.Hα-helixtrans-63.2-42.9173.900000112.2S999 Q1004 Q1005S999-A1001 PolarHBondContact O-N 3.43Å; A1001-Q1004 PolarHBondContact O-N 3.36Å; A1001-Q1005 PolarHBondContact O-N 3.5Å
1002G78.1Confident80.6Confident15 Ų1574.6 Ų74.616%0.15541%0.409CS..Hα-helixtrans-63.4-44.1175.200000112.3S999 Q1004 Q1005 L1006S999-G1002 PolarHBondContact O-N 2.84Å; S999-G1002 VanDerWaalsContact O-N 3.17Å; S999-G1002 PolarHBondContact OG-N 3.21Å; S999-G1002 VanDerWaalsContact OG-N 3.08Å; G1002-Q1004 VanDerWaalsContact C-N 3.32Å; G1002-Q1004 PolarHBondContact O-N 3.29Å; G1002-Q1005 PolarHBondContact O-N 2.89Å; G1002-Q1005 VanDerWaalsContact O-N 3.15Å; G1002-L1006 PolarHBondContact O-N 3.17Å
1003R78.8Confident78.8Confident88 Ų8877.3 Ų77.333%0.33243%0.428SS..Hα-helixtrans-57.6-46.2176-66.3-176.6-169.9-157.42.2111V931 I933 V997 S999 P1000 Q1005 L1006 L1007V931-R1003 PolarHBondContact O-NH1 3.25Å; I933-R1003 HydrophobicContact CD1-CB 4.45Å; I933-R1003 HydrophobicContact CG1-CB 4.03Å; I933-R1003 HydrophobicContact CG1-CG 3.91Å; V997-R1003 HydrophobicContact CB-CG 3.76Å; V997-R1003 HydrophobicContact CG1-CG 3.91Å; V997-R1003 PolarHBondContact O-NE 2.87Å; V997-R1003 PolarHBondContact O-NH2 3.12Å; S999-R1003 PolarHBondContact O-N 2.95Å; P1000-R1003 PolarHBondContact O-N 2.64Å; R1003-Q1005 VanDerWaalsContact C-N 3.32Å; R1003-Q1005 PolarHBondContact O-N 3.19Å; R1003-L1006 PolarHBondContact O-N 2.86Å; R1003-L1007 WeakPolarHBondContact O-CG 3.45Å; R1003-L1007 PolarHBondContact O-N 3.12Å
1004Q76Confident77.1Confident126 Ų12679 Ų7959%0.58944%0.437SS*.Hα-helixtrans-69.3-29.1179.5-165.1157.434.200113.1P1000 A1001 G1002 Q1008P1000-Q1004 PolarHBondContact O-N 2.95Å; A1001-Q1004 PolarHBondContact O-N 3.36Å; G1002-Q1004 VanDerWaalsContact C-N 3.32Å; G1002-Q1004 PolarHBondContact O-N 3.29Å; Q1004-Q1008 WeakPolarHBondContact O-CB 3.49Å; Q1004-Q1008 VanDerWaalsContact O-CG 3.31Å; Q1004-Q1008 WeakPolarHBondContact O-CG 3.43Å; Q1004-Q1008 PolarHBondContact O-N 2.8Å
1005Q77.6Confident74.9Confident108 Ų10880.6 Ų80.651%0.50545%0.448SS..Hα-helixtrans-70.1-37.4173.3-169.4175.727.800112.7A1001 G1002 R1003 Q1008 R1009A1001-Q1005 PolarHBondContact O-N 3.5Å; G1002-Q1005 PolarHBondContact O-N 2.89Å; G1002-Q1005 VanDerWaalsContact O-N 3.15Å; R1003-Q1005 VanDerWaalsContact C-N 3.32Å; R1003-Q1005 PolarHBondContact O-N 3.19Å; Q1005-Q1008 PolarHBondContact O-N 3.47Å; Q1005-R1009 PolarHBondContact O-N 2.91Å
1006L81.9Confident73.1Confident22 Ų2284.5 Ų84.512%0.11547%0.467CS..Hα-helixtrans-65.6-45.2172.9-67-176.6000111.5I933 V995 V997 G1002 R1003 Q1008 R1009 G1010 L1012I933-L1006 HydrophobicContact CG2-CD1 4.08Å; V995-L1006 HydrophobicContact CB-CD1 4.45Å; V995-L1006 HydrophobicContact CG1-CD1 3.82Å; V997-L1006 HydrophobicContact CG2-CD1 3.72Å; G1002-L1006 PolarHBondContact O-N 3.17Å; R1003-L1006 PolarHBondContact O-N 2.86Å; L1006-Q1008 VanDerWaalsContact C-N 3.29Å; L1006-Q1008 PolarHBondContact O-N 3.07Å; L1006-R1009 PolarHBondContact O-N 3.29Å; L1006-G1010 PolarHBondContact O-N 3.48Å; L1006-L1012 HydrophobicContact CD2-CD1 4.07Å; L1006-L1012 HydrophobicContact CD2-CD2 3.8Å; L1006-L1012 HydrophobicContact CD2-CG 4.21Å
1007L80.6Confident71.8Confident65 Ų6585 Ų8534%0.3446%0.456SS..Hα-helixtrans-62-33.9176.1-69.5172.7000113I933 I963 K965 R1003 R1009I933-L1007 HydrophobicContact CD1-CD1 3.91Å; I933-L1007 HydrophobicContact CD1-CD2 3.88Å; I933-L1007 HydrophobicContact CD1-CG 3.86Å; I963-L1007 HydrophobicContact CG2-CD2 4Å; K965-L1007 HydrophobicContact CD-CD2 4.29Å; K965-L1007 HydrophobicContact CG-CD2 3.57Å; R1003-L1007 WeakPolarHBondContact O-CG 3.45Å; R1003-L1007 PolarHBondContact O-N 3.12Å; L1007-R1009 VanDerWaalsContact C-N 3.35Å
1008Q76.4Confident70.2Confident158 Ų15888.1 Ų88.174%0.73847%0.471SS*.Hα-helixtrans-71.3-26.4172.9-77.6176.24000113.7Q1004 Q1005 L1006Q1004-Q1008 WeakPolarHBondContact O-CB 3.49Å; Q1004-Q1008 VanDerWaalsContact O-CG 3.31Å; Q1004-Q1008 WeakPolarHBondContact O-CG 3.43Å; Q1004-Q1008 PolarHBondContact O-N 2.8Å; Q1005-Q1008 PolarHBondContact O-N 3.47Å; L1006-Q1008 VanDerWaalsContact C-N 3.29Å; L1006-Q1008 PolarHBondContact O-N 3.07Å
1009R77.2Confident68.2Low150 Ų15090.1 Ų90.157%0.56648%0.476SS*.Hα-helixtrans-78.6-33.5173.6-77.7-178.9167.5146.5-3.2112.2Q1005 L1006 L1007 Y1011Q1005-R1009 PolarHBondContact O-N 2.91Å; L1006-R1009 PolarHBondContact O-N 3.29Å; L1007-R1009 VanDerWaalsContact C-N 3.35Å; R1009-Y1011 PolarHBondContact O-N 2.82Å
1010G77.9Confident66.1Low32 Ų3290.4 Ų90.433%0.3349%0.487SS..  trans68-15.9179.300000115.3I963 L1006I963-G1010 PolarHBondContact N-O 3.47Å; L1006-G1010 PolarHBondContact O-N 3.48Å
1011Y81.9Confident63.9Low102 Ų10290.8 Ų90.840%0.449%0.493SS..BIsolated β-bridgetrans-146.1140.6-177.4-131.9-86.4000109.8R959 E960 G961 Q962 R1009R959-Y1011 HydrophobicContact CB-CE2 4.34Å; R959-Y1011 WeakPolarHBondContact CB-OH 3.4Å; E960-Y1011 WeakPolarHBondContact O-CE1 3.38Å; E960-Y1011 PolarHBondContact O-OH 2.84Å; G961-Y1011 CarbonylContact O-C 3.53Å; G961-Y1011 WeakPolarHBondContact O-CA 3.5Å; Q962-Y1011 HydrophobicContact CB-CD2 4.26Å; Q962-Y1011 HydrophobicContact CB-CE2 4.01Å; R1009-Y1011 PolarHBondContact O-N 2.82Å
1012L78.7Confident61.7Low18 Ų1890.5 Ų90.59%0.09449%0.49CS..  trans-116121166.3-77.3-179000108.6V935 G961 I963 L1006V935-L1012 HydrophobicContact CG2-CB 4.29Å; G961-L1012 VanDerWaalsContact CA-O 3.24Å; G961-L1012 WeakPolarHBondContact CA-O 3.36Å; G961-L1012 PolarHBondContact O-N 3.3Å; I963-L1012 HydrophobicContact CD1-CB 4.22Å; I963-L1012 HydrophobicContact CD1-CD1 3.54Å; I963-L1012 HydrophobicContact CD1-CG 3.61Å; I963-L1012 HydrophobicContact CG1-CG 4.12Å; L1006-L1012 HydrophobicContact CD2-CD1 4.07Å; L1006-L1012 HydrophobicContact CD2-CD2 3.8Å; L1006-L1012 HydrophobicContact CD2-CG 4.21Å
1013S55.8Low59.4Low68 Ų68101 Ų10148%0.47653%0.525SS..  trans-64.6138.9169.7-57.70000109.8D1015 I1016S1013-D1015 PolarHBondContact O-N 3.02Å; S1013-I1016 PolarHBondContact O-N 2.75Å
1014P56.3Low56.9Low70 Ų70102.5 Ų102.546%0.45554%0.544SS..G310 helixtrans-52.1-28.4179.2-29.936000114.3I1016 L1017P1014-I1016 PolarHBondContact O-N 3.11Å; P1014-L1017 PolarHBondContact O-N 2.74Å; P1014-L1017 VanDerWaalsContact O-N 3.11Å
1015D45.3Very low54.9Low129 Ų129103.4 Ų103.469%0.6956%0.559SS**G310 helixtrans-59.9-23.3177.4-60.2-40.9000114.4S1013 L1018S1013-D1015 PolarHBondContact O-N 3.02Å; D1015-L1018 WeakPolarHBondContact O-CB 3.5Å; D1015-L1018 PolarHBondContact O-N 2.98Å
1016I51.4Low52.6Low114 Ų114100.8 Ų100.859%0.58556%0.561SS**G310 helixtrans-84.6-19.5178.7-62.5-176.7000112.1S1013 P1014 L1018S1013-I1016 PolarHBondContact O-N 2.75Å; P1014-I1016 PolarHBondContact O-N 3.11Å; I1016-L1018 PolarHBondContact O-N 2.94Å
1017L51.6Low50.6Low101 Ų101106.3 Ų106.353%0.52960%0.597SS.*G310 helixtrans-76.1-7.1167.8-88.4163.7000112.7V935 P1014V935-L1017 HydrophobicContact CG1-CD1 4.17Å; P1014-L1017 PolarHBondContact O-N 2.74Å; P1014-L1017 VanDerWaalsContact O-N 3.11Å
1018L42.1Very low48.3Very low88 Ų88107.6 Ų107.646%0.46161%0.61SS.*SBendtrans-90.4-14.3-170.2-157.860.8000115D1015 I1016 G1020 A1022D1015-L1018 WeakPolarHBondContact O-CB 3.5Å; D1015-L1018 PolarHBondContact O-N 2.98Å; I1016-L1018 PolarHBondContact O-N 2.94Å; L1018-G1020 PolarHBondContact O-N 3.03Å; L1018-A1022 HydrophobicContact CD1-CB 3.61Å; L1018-A1022 HydrophobicContact CG-CB 4.29Å
1019E32.5Very low46.2Very low204 Ų204105.5 Ų105.595%0.95361%0.61SS**THydrogen-bonded Turntrans-78.449.4159.2-83.8-162.1137.200110.9
1020G36.7Very low44Very low61 Ų61106.2 Ų106.263%0.62962%0.617SS**THydrogen-bonded Turntrans-157.823.6-171.700000113.6L1018L1018-G1020 PolarHBondContact O-N 3.03Å
1021S28.3Very low41.6Very low116 Ų116110.8 Ų110.881%0.81164%0.641SS**  trans86124.5-176.1-160.60000115.8
1022A30.9Very low39.1Very low65 Ų65115.1 Ų115.154%0.53766%0.657SS.*  trans-107.1128.3-174.600000113.1L1018L1018-A1022 HydrophobicContact CD1-CB 3.61Å; L1018-A1022 HydrophobicContact CG-CB 4.29Å
1023R30Very low37.1Very low236 Ų236125 Ų12589%0.89169%0.693SS**  trans24.8109.2149-61.5-176.1175.1-158.4-4.3118.5
1024T25.5Very low35.8Very low119 Ų119127.5 Ų127.573%0.7371%0.71SS**  trans-111.4139.9136.413.40000109
1025T34.9Very low34.6Very low146 Ų146133.4 Ų133.490%0.89673%0.729SS**SBendtrans-79.5133.117144.60000109.8
1026G29.3Very low33.7Very low53 Ų53137.4 Ų137.455%0.54674%0.74SS.*SBendtrans89.3147.6-166.500000111.4P1028G1026-P1028 WeakPolarHBondContact O-CD 3.39Å
1027P39.9Very low32.6Very low137 Ų137135.9 Ų135.989%0.8975%0.745SS**  trans-89.3107.6-171.932.9-33.5000113.6
1028P31.8Very low31.4Very low93 Ų93140.3 Ų140.360%0.60476%0.762SS**  trans-148.1174.1146.240.1-26.4000114G1026G1026-P1028 WeakPolarHBondContact O-CD 3.39Å
1029P32.4Very low30.6Very low114 Ų114141 Ų14174%0.7478%0.775SS**  cis-128.1167.1-3235.9-21.1000112.7P1031P1029-P1031 WeakPolarHBondContact O-CD 3.33Å
1030K31Very low30.2Very low164 Ų164140 Ų14071%0.71377%0.77SS**  trans-68.4123.5168.8-68.3-179.6-178.51780110.9R1032 Y1106K1030-R1032 PolarHBondContact O-N 3.45Å; K1030-Y1106 PolarHBondContact NZ-OH 2.94Å; K1030-Y1106 VanDerWaalsContact NZ-OH 3.15Å
1031P26.4Very low29.6Very low128 Ų128140.2 Ų140.283%0.83177%0.772SS**  trans-76.2116.9178.628.7-33.2000112.4P1029 R1033P1029-P1031 WeakPolarHBondContact O-CD 3.33Å; P1031-R1033 PolarHBondContact O-N 2.82Å
1032R30.1Very low30.1Very low193 Ų193141.1 Ų141.173%0.72878%0.775SS**  trans-88103.5176.2-129.1177.3-177.1167.22.3111.1K1030 E1108K1030-R1032 PolarHBondContact O-N 3.45Å; R1032-E1108 IonicContact NH2-OE1 3.23Å; R1032-E1108 IonicContact NH2-OE2 2.7Å
1033R36.2Very low29.9Very low225 Ų225142.6 Ų142.685%0.84979%0.788SS**  trans65123.9143.2-160.7-179.4-164.6-177.46.2120.9P1031P1031-R1033 PolarHBondContact O-N 2.82Å
1034S29.3Very low29.8Very low121 Ų121138.7 Ų138.785%0.84678%0.78SS**  trans-147100.3145-760000107.6
1035K30.5Very low30.1Very low195 Ų195139.2 Ų139.285%0.84879%0.785SS**  58.889.882.2-152.2-179-169.3-175.90111.9
1036K27.1Very low29.9Very low213 Ų213136.7 Ų136.793%0.92677%0.772SS**  trans-103.6132.8165.5-173.6173.8-177.3178.10108.8
1037A27.1Very low30.3Very low82 Ų82140.7 Ų140.768%0.67879%0.789SS**  trans-127.1132174.800000109.9
1038E26.5Very low29.7Very low193 Ų193137.2 Ų137.290%0.90278%0.778SS**  trans37164150.8-76.8177.697.800125.4
1039S26.5Very low30.3Very low104 Ų104139 Ų13973%0.72779%0.789SS**  trans67.2133.7179.6-94.20000117.3
1040E23.3Very low30.7Very low181 Ų181139 Ų13985%0.84679%0.79SS**  cis-159.8164.3-10.7-134.7172.4148.100109.1
1041G23.6Very low30.4Very low66 Ų66140.7 Ų140.768%0.6880%0.797SS**  trans-84.2-158174.500000113
1042P40.1Very low30.6Very low135 Ų135143 Ų14388%0.87780%0.802SS**  cis-105.7-163.9-3.942.5-31.5000110.5
1043A26.3Very low30.6Very low97 Ų97140.6 Ų140.680%0.80281%0.808SS**  cis-150.8-17510.500000112.4
1044Q28.5Very low30.8Very low153 Ų153135.6 Ų135.672%0.71581%0.805SS**  trans-123.6159.6176.9-137.7173.7-9.400109.2C1046Q1044-C1046 PolarHBondContact NE2-SG 3.33Å
1045P30.3Very low30.9Very low131 Ų131135.6 Ų135.685%0.85181%0.805SS**  -140.9136.796.430.6-13.8000114.9
1046C31.4Very low31.1Very low92 Ų92130.5 Ų130.562%0.62280%0.799SS**  trans-95.8162.9166.9-680000111.1Q1044Q1044-C1046 PolarHBondContact NE2-SG 3.33Å
1047P37.3Very low31.6Very low137 Ų137127.8 Ų127.889%0.8979%0.794SS**  -139.9163.897.538.3-26.1000112.4
1048G27.3Very low32.5Very low65 Ų65131.9 Ų131.967%0.6780%0.804SS**  cis-174.7166.1-0.100000110
1049P45.9Very low34Very low129 Ų129128.7 Ų128.784%0.83879%0.787SS**  trans-90.4-179.9-160.839.6-39000113.9
1050P39.2Very low36.2Very low116 Ų116127.2 Ų127.275%0.75378%0.782SS**  cis-137.3-167.223.945.9-26000114.2
1051K25.6Very low39Very low198 Ų198122.5 Ų122.586%0.86177%0.766SS**  cis-157139.43.3-143.9171.9-174.4-175.40106.5
1052L31Very low41.9Very low178 Ų178122 Ų12293%0.93275%0.746SS**  trans-113.1143169.3-82.2170.3000110.3
1053V29.2Very low44.2Very low142 Ų142118.3 Ų118.386%0.86172%0.723SS**  trans-106.4141.8177.2-93.80000110.5
1054P40.1Very low47.2Very low120 Ų120114.7 Ų114.778%0.77969%0.69SS**  trans-104.5153.6-177.838.9-33.6000114.2
1055S32.6Very low50.2Low121 Ų121109.8 Ų109.885%0.84667%0.671SS**  trans179.4155155.4-91.20000108
1056A34.6Very low53.1Low88 Ų88103.7 Ų103.773%0.72763%0.631SS**  cis-174.6145.6-22.600000107.8
1057D36.6Very low55.8Low155 Ų155101.1 Ų101.183%0.82962%0.617SS**  cis-156.1166.1-31.1-147.2-58.8000109.7
1058L46.8Very low58.2Low168 Ų168100.6 Ų100.688%0.8860%0.601SS**  trans-98.691.8179.8-75.1176.7000111.4A1060L1058-A1060 PolarHBondContact O-N 2.89Å
1059K58.3Low61.1Low127 Ų127101.9 Ų101.955%0.55259%0.592SS**PPolyproline II helixtrans-56.6124.3173.4-122.4-178.3-179.6-170.50110.8
1060A71.5Confident63.2Low73 Ų7396.3 Ų96.360%0.60356%0.555SS**PPolyproline II helixtrans-64.5147.1175.500000110.6L1058 H1062L1058-A1060 PolarHBondContact O-N 2.89Å; A1060-H1062 PolarHBondContact O-N 3.05Å
1061P82.9Confident65.5Low81 Ų8193.5 Ų93.553%0.52653%0.533SS..PPolyproline II helixtrans-59.5130.8179.6-21.332.8000111T1094 V1095 F1096P1061-T1094 HydrophobicContact CB-CG2 4.16Å; P1061-V1095 CarbonylContact C-O 3.44Å; P1061-V1095 WeakPolarHBondContact CA-O 3.3Å; P1061-F1096 HydrophobicContact CB-CD1 3.68Å; P1061-F1096 HydrophobicContact CB-CE1 3.77Å; P1061-F1096 HydrophobicContact CB-CG 4.4Å; P1061-F1096 HydrophobicContact CG-CD1 3.57Å; P1061-F1096 HydrophobicContact CG-CE1 3.8Å
1062H84.1Confident68.4Low57 Ų5784.3 Ų84.326%0.26449%0.494SS..EExtended strand (participates in β ladder)trans-131.3135.4-176.352.860.4000111.2A1060 V1095A1060-H1062 PolarHBondContact O-N 3.05Å; H1062-V1095 PolarHBondContact N-O 3.44Å; H1062-V1095 PolarHBondContact O-N 3.47Å
1063S89.3Confident70.6Confident56 Ų5682.1 Ų82.139%0.39248%0.479SS..EExtended strand (participates in β ladder)trans-71.3142.5176.2-55.90000110.8I1093 P1124S1063-I1093 CarbonylContact C-O 3.56Å; S1063-I1093 WeakPolarHBondContact CA-O 3.42Å; S1063-P1124 WeakPolarHBondContact O-CD 3.36Å; S1063-P1124 VanDerWaalsContact O-CG 3.24Å; S1063-P1124 WeakPolarHBondContact O-CG 3.44Å
1064M89.4Confident72.9Confident21 Ų2182.9 Ų82.910%0.10347%0.473CS..EExtended strand (participates in β ladder)trans-133.9156.1171.1-61.2-175.67200108.1V1092 I1093 V1095 Y1105 L1121M1064-V1092 CarbonylContact O-C 3.51Å; M1064-V1092 WeakPolarHBondContact O-CA 3.24Å; M1064-I1093 PolarHBondContact N-O 3.43Å; M1064-I1093 PolarHBondContact O-N 2.85Å; M1064-V1095 HydrophobicContact CG-CG2 4.28Å; M1064-V1095 HydrophobicContact SD-CB 4.41Å; M1064-V1095 HydrophobicContact SD-CG2 3.95Å; M1064-Y1105 HydrophobicContact CE-CE2 4.4Å; M1064-Y1105 HydrophobicContact SD-CE2 4.17Å; M1064-L1121 HydrophobicContact CB-CB 4.13Å; M1064-L1121 HydrophobicContact CB-CD1 4.05Å; M1064-L1121 HydrophobicContact CE-CB 3.74Å; M1064-L1121 HydrophobicContact CE-CD1 4.37Å; M1064-L1121 HydrophobicContact SD-CB 4.34Å; M1064-L1121 HydrophobicContact SD-CD1 3.91Å
1065V90.8Very high74.4Confident51 Ų5180.4 Ų80.431%0.30946%0.458SS..EExtended strand (participates in β ladder)trans-106.5131.7-178.6-173.70000108.6A1067 D1091 V1092 L1121 E1122V1065-A1067 PolarHBondContact O-N 3.25Å; V1065-D1091 CarbonylContact C-O 3.41Å; V1065-D1091 WeakPolarHBondContact CA-O 3.45Å; V1065-V1092 HydrophobicContact CG2-CG2 4.46Å; V1065-L1121 WeakPolarHBondContact O-CA 3.3Å; V1065-E1122 PolarHBondContact N-O 3.38Å; V1065-E1122 PolarHBondContact O-N 3.44Å
1066A91.6Very high76.4Confident3 Ų375.6 Ų75.63%0.02543%0.425CS..EExtended strand (participates in β ladder)trans-63.9122.3172.300000110.5F1087 R1088 G1090 D1091 I1093 F1120A1066-F1087 HydrophobicContact CB-CD2 3.42Å; A1066-F1087 VanDerWaalsContact CB-CD2 3.42Å; A1066-F1087 HydrophobicContact CB-CE2 3.77Å; A1066-F1087 HydrophobicContact CB-CG 4.37Å; A1066-R1088 VanDerWaalsContact CB-O 3.24Å; A1066-R1088 WeakPolarHBondContact CB-O 3.34Å; A1066-G1090 PolarHBondContact O-N 2.87Å; A1066-D1091 HydrophobicContact CB-CB 4.37Å; A1066-D1091 PolarHBondContact N-O 2.83Å; A1066-I1093 HydrophobicContact CB-CD1 4.03Å; A1066-F1120 CarbonylContact C-O 3.55Å; A1066-F1120 WeakPolarHBondContact CA-O 3.4Å
1067A87.6Confident78Confident38 Ų3877.4 Ų77.431%0.31443%0.429SS..SBendtrans-79.7-26.9176.600000112.4V1065 F1120 E1122V1065-A1067 PolarHBondContact O-N 3.25Å; A1067-F1120 PolarHBondContact N-O 3.44Å; A1067-E1122 HydrophobicContact CB-CB 4.45Å
1068F88.5Confident79.7Confident126 Ų12673.5 Ų73.555%0.55341%0.408SS*.SBendtrans-137.2161-176.3-52.7-71.5000111A1089 F1120F1068-A1089 PolarHBondContact O-N 3.24Å; F1068-F1120 HydrophobicContact CB-CD1 3.85Å; F1068-F1120 HydrophobicContact CB-CE1 4.23Å
1069D88.4Confident80.4Confident92 Ų9274.3 Ų74.349%0.49241%0.41SS..  trans-69.3143168.7-69-27.5000110R1088 A1089D1069-R1088 WeakPolarHBondContact OD1-CA 3.32Å; D1069-R1088 VanDerWaalsContact OD1-CB 3.28Å; D1069-R1088 WeakPolarHBondContact OD1-CB 3.27Å; D1069-R1088 IonicContact OD2-NH1 3.86Å; D1069-A1089 PolarHBondContact OD1-N 3.14Å
1070Y89.6Confident80.8Confident12 Ų1274.1 Ų74.15%0.04742%0.415CS..BIsolated β-bridgetrans-138.9121.9176.7-176.3-114.1000111.4P1072 E1084 F1087 P1117 F1120Y1070-P1072 HydrophobicContact CD1-CG 4.29Å; Y1070-P1072 HydrophobicContact CE1-CG 3.89Å; Y1070-E1084 HydrophobicContact CE1-CB 4.48Å; Y1070-E1084 PolarHBondContact OH-OE2 3.01Å; Y1070-F1087 VanDerWaalsContact CB-CE2 3.43Å; Y1070-F1087 HydrophobicContact CD1-CD1 4.12Å; Y1070-F1087 AromaticContact CD1-CE1 3.46Å; Y1070-F1087 HydrophobicContact CD1-CE1 3.46Å; Y1070-F1087 VanDerWaalsContact CD1-CE1 3.46Å; Y1070-F1087 AromaticContact CD1-CZ 3.81Å; Y1070-F1087 HydrophobicContact CD1-CZ 3.81Å; Y1070-F1087 HydrophobicContact CE1-CE1 4.36Å; Y1070-F1087 AromaticContact CG-CE1 3.92Å; Y1070-F1087 HydrophobicContact CG-CE1 3.92Å; Y1070-F1087 HydrophobicContact CG-CE2 4.35Å; Y1070-F1087 AromaticContact CG-CZ 3.77Å; Y1070-F1087 HydrophobicContact CG-CZ 3.77Å; Y1070-F1087 PolarHBondContact N-O 3.25Å; Y1070-F1087 PolarHBondContact O-N 3.21Å; Y1070-F1087 VanDerWaalsContact O-N 3.13Å; Y1070-F1087 VanDerWaalsContact O-O 3.13Å; Y1070-P1117 HydrophobicContact CD1-CG 4.27Å; Y1070-P1117 HydrophobicContact CD2-CG 4.28Å; Y1070-P1117 HydrophobicContact CE1-CG 3.67Å; Y1070-P1117 HydrophobicContact CE2-CG 3.72Å; Y1070-P1117 WeakPolarHBondContact OH-CG 3.39Å; Y1070-F1120 HydrophobicContact CD2-CD1 4.13Å; Y1070-F1120 AromaticContact CD2-CE1 3.86Å; Y1070-F1120 HydrophobicContact CD2-CE1 3.86Å; Y1070-F1120 HydrophobicContact CD2-CE2 4.44Å; Y1070-F1120 HydrophobicContact CD2-CZ 4.03Å; Y1070-F1120 HydrophobicContact CG-CD1 4.4Å
1071N86.4Confident81Confident56 Ų5672.1 Ų72.130%0.29940%0.395SS..  trans-121.6106.3176.4-176.88000109.4Q1073 E1074 S1075N1071-Q1073 PolarHBondContact O-N 3.24Å; N1071-Q1073 VanDerWaalsContact O-N 3.11Å; N1071-Q1073 PolarHBondContact OD1-N 2.91Å; N1071-E1074 HydrophobicContact CB-CB 4.39Å; N1071-E1074 WeakPolarHBondContact ND2-CG 3.32Å; N1071-E1074 PolarHBondContact ND2-OE2 3.44Å; N1071-E1074 PolarHBondContact O-N 2.92Å; N1071-S1075 WeakPolarHBondContact O-CB 3.49Å; N1071-S1075 PolarHBondContact O-N 3.32Å
1072P86.3Confident80.7Confident5 Ų577.2 Ų77.23%0.03241%0.412CS..Hα-helixtrans-52.2-35.2-179.6-30.336.7000114Y1070 E1074 S1076 V1081 E1084 P1086Y1070-P1072 HydrophobicContact CD1-CG 4.29Å; Y1070-P1072 HydrophobicContact CE1-CG 3.89Å; P1072-E1074 VanDerWaalsContact C-N 3.26Å; P1072-E1074 PolarHBondContact O-N 3.48Å; P1072-S1076 WeakPolarHBondContact O-CB 3.27Å; P1072-S1076 PolarHBondContact O-N 2.94Å; P1072-S1076 VanDerWaalsContact O-N 3.13Å; P1072-V1081 HydrophobicContact CB-CB 4.18Å; P1072-V1081 WeakPolarHBondContact O-CG1 3.36Å; P1072-E1084 HydrophobicContact CB-CB 3.92Å; P1072-E1084 HydrophobicContact CG-CB 3.72Å; P1072-P1086 HydrophobicContact CG-CB 4.48Å
1073Q77.8Confident80.5Confident133 Ų13376.9 Ų76.962%0.62142%0.418SS*.Hα-helixtrans-69.8-18.2-178.2-58.7-66.1-41.400114.3N1071N1071-Q1073 PolarHBondContact O-N 3.24Å; N1071-Q1073 VanDerWaalsContact O-N 3.11Å; N1071-Q1073 PolarHBondContact OD1-N 2.91Å
1074E78.3Confident80.6Confident158 Ų15874.8 Ų74.874%0.73840%0.403SS*.Hα-helixtrans-120-22.3-176.2-68171.3160.600112.7N1071 P1072N1071-E1074 HydrophobicContact CB-CB 4.39Å; N1071-E1074 WeakPolarHBondContact ND2-CG 3.32Å; N1071-E1074 PolarHBondContact ND2-OE2 3.44Å; N1071-E1074 PolarHBondContact O-N 2.92Å; P1072-E1074 VanDerWaalsContact C-N 3.26Å; P1072-E1074 PolarHBondContact O-N 3.48Å
1075S71.5Confident80.6Confident67 Ų6774 Ų7447%0.46940%0.399SS..Hα-helixtrans-121.4-5.1-170.8-56.30000114.2N1071N1071-S1075 WeakPolarHBondContact O-CB 3.49Å; N1071-S1075 PolarHBondContact O-N 3.32Å
1076S74.9Confident80.6Confident21 Ų2174.5 Ų74.515%0.14740%0.403CS..  trans-95.3131.1175.8-165.20000111.7P1072 N1078 E1084P1072-S1076 WeakPolarHBondContact O-CB 3.27Å; P1072-S1076 PolarHBondContact O-N 2.94Å; P1072-S1076 VanDerWaalsContact O-N 3.13Å; S1076-N1078 VanDerWaalsContact C-N 3.25Å; S1076-N1078 WeakPolarHBondContact OG-CB 3.42Å; S1076-N1078 PolarHBondContact OG-N 3.42Å; S1076-E1084 WeakPolarHBondContact CB-OE2 3.41Å; S1076-E1084 PolarHBondContact OG-OE1 3.16Å; S1076-E1084 PolarHBondContact OG-OE2 3.13Å
1077P68.7Low80.6Confident125 Ų12574.8 Ų74.881%0.81240%0.404SS*.  trans-81.2-5.1168.234.8-34.5000112.6
1078N70.3Confident80.7Confident73 Ų7381 Ų8139%0.3942%0.419SS..SBendtrans-83.5144.1-176.5-63.2-36.4000111.4S1076 D1080 V1081 E1084S1076-N1078 VanDerWaalsContact C-N 3.25Å; S1076-N1078 WeakPolarHBondContact OG-CB 3.42Å; S1076-N1078 PolarHBondContact OG-N 3.42Å; N1078-D1080 VanDerWaalsContact C-N 3.27Å; N1078-D1080 PolarHBondContact O-N 2.91Å; N1078-V1081 WeakPolarHBondContact O-CG1 3.37Å; N1078-E1084 PolarHBondContact ND2-OE1 3.5Å
1079M62.7Low80.7Confident185 Ų18577.7 Ų77.791%0.91142%0.415SS*.SBendtrans-68-26.9171.9-76.9177.554.800112.9V1081M1079-V1081 VanDerWaalsContact C-N 3.28Å; M1079-V1081 PolarHBondContact O-N 3.27Å
1080D66.1Low80.5Confident124 Ų12475.6 Ų75.666%0.66342%0.415SS*.  trans-89.845.4-176.1-67.8-41.6000113.2N1078 E1082 A1083N1078-D1080 VanDerWaalsContact C-N 3.27Å; N1078-D1080 PolarHBondContact O-N 2.91Å; D1080-E1082 PolarHBondContact O-N 2.92Å; D1080-A1083 WeakPolarHBondContact O-CB 3.36Å; D1080-A1083 PolarHBondContact O-N 3.09Å
1081V76.4Confident80.7Confident30 Ų3077.2 Ų77.218%0.18242%0.424CS..THydrogen-bonded Turntrans-51.7-19.8176.9-66.20000115P1072 N1078 M1079 A1083P1072-V1081 HydrophobicContact CB-CB 4.18Å; P1072-V1081 WeakPolarHBondContact O-CG1 3.36Å; N1078-V1081 WeakPolarHBondContact O-CG1 3.37Å; M1079-V1081 VanDerWaalsContact C-N 3.28Å; M1079-V1081 PolarHBondContact O-N 3.27Å; V1081-A1083 VanDerWaalsContact C-N 3.35Å
1082E75.9Confident80.9Confident189 Ų18978.5 Ų78.588%0.88343%0.434SS*.THydrogen-bonded Turntrans-76-19.1175.9-59.8-168.4169.600113.7D1080D1080-E1082 PolarHBondContact O-N 2.92Å
1083A80.5Confident81.2Confident49 Ų4978.2 Ų78.241%0.40543%0.432SS..SBendtrans-83.7-16.2177.200000112.8D1080 V1081 G1114 L1115D1080-A1083 WeakPolarHBondContact O-CB 3.36Å; D1080-A1083 PolarHBondContact O-N 3.09Å; V1081-A1083 VanDerWaalsContact C-N 3.35Å; A1083-G1114 CarbonylContact O-C 3.52Å; A1083-G1114 WeakPolarHBondContact O-CA 3.45Å; A1083-L1115 PolarHBondContact O-N 3.33Å
1084E90.1Very high81.8Confident12 Ų1274.1 Ų74.16%0.05642%0.416CS..BIsolated β-bridgetrans-92.9147.3-178.2-69.5169.8-172.900111.8Y1070 P1072 S1076 N1078 L1115Y1070-E1084 HydrophobicContact CE1-CB 4.48Å; Y1070-E1084 PolarHBondContact OH-OE2 3.01Å; P1072-E1084 HydrophobicContact CB-CB 3.92Å; P1072-E1084 HydrophobicContact CG-CB 3.72Å; S1076-E1084 WeakPolarHBondContact CB-OE2 3.41Å; S1076-E1084 PolarHBondContact OG-OE1 3.16Å; S1076-E1084 PolarHBondContact OG-OE2 3.13Å; N1078-E1084 PolarHBondContact ND2-OE1 3.5Å; E1084-L1115 WeakPolarHBondContact CA-O 3.27Å; E1084-L1115 HydrophobicContact CG-CB 4.19Å
1085L89.8Confident82.5Confident5 Ų566.6 Ų66.63%0.02638%0.381CS..PPolyproline II helixtrans-95.8119.4-173.9-168.867.6000110.1F1087 I1093 L1109 Q1112 L1115 V1116L1085-F1087 WeakPolarHBondContact O-CD1 3.39Å; L1085-F1087 WeakPolarHBondContact O-CE1 3.45Å; L1085-I1093 HydrophobicContact CD2-CG2 4.44Å; L1085-L1109 HydrophobicContact CD2-CB 3.72Å; L1085-L1109 HydrophobicContact CG-CB 4.36Å; L1085-Q1112 HydrophobicContact CD1-CB 3.67Å; L1085-L1115 PolarHBondContact N-O 2.8Å; L1085-V1116 HydrophobicContact CB-CG2 3.82Å; L1085-V1116 HydrophobicContact CD2-CG2 3.67Å; L1085-V1116 HydrophobicContact CG-CG2 4.39Å
1086P90.4Very high83.2Confident61 Ų6166 Ų6640%0.39637%0.37SS..PPolyproline II helixtrans-73.2138.1171.128.9-33.2000111P1072P1072-P1086 HydrophobicContact CG-CB 4.48Å
1087F91.6Very high83.7Confident9 Ų966.5 Ų66.54%0.03938%0.379CS..BIsolated β-bridgetrans-153.6163.5178.656.1-98.6000112.1A1066 Y1070 L1085 D1091 I1093 L1109 V1116 F1120A1066-F1087 HydrophobicContact CB-CD2 3.42Å; A1066-F1087 VanDerWaalsContact CB-CD2 3.42Å; A1066-F1087 HydrophobicContact CB-CE2 3.77Å; A1066-F1087 HydrophobicContact CB-CG 4.37Å; Y1070-F1087 VanDerWaalsContact CB-CE2 3.43Å; Y1070-F1087 HydrophobicContact CD1-CD1 4.12Å; Y1070-F1087 AromaticContact CD1-CE1 3.46Å; Y1070-F1087 HydrophobicContact CD1-CE1 3.46Å; Y1070-F1087 VanDerWaalsContact CD1-CE1 3.46Å; Y1070-F1087 AromaticContact CD1-CZ 3.81Å; Y1070-F1087 HydrophobicContact CD1-CZ 3.81Å; Y1070-F1087 HydrophobicContact CE1-CE1 4.36Å; Y1070-F1087 AromaticContact CG-CE1 3.92Å; Y1070-F1087 HydrophobicContact CG-CE1 3.92Å; Y1070-F1087 HydrophobicContact CG-CE2 4.35Å; Y1070-F1087 AromaticContact CG-CZ 3.77Å; Y1070-F1087 HydrophobicContact CG-CZ 3.77Å; Y1070-F1087 PolarHBondContact N-O 3.25Å; Y1070-F1087 PolarHBondContact O-N 3.21Å; Y1070-F1087 VanDerWaalsContact O-N 3.13Å; Y1070-F1087 VanDerWaalsContact O-O 3.13Å; L1085-F1087 WeakPolarHBondContact O-CD1 3.39Å; L1085-F1087 WeakPolarHBondContact O-CE1 3.45Å; F1087-D1091 HydrophobicContact CB-CB 4.34Å; F1087-I1093 HydrophobicContact CB-CD1 3.89Å; F1087-I1093 HydrophobicContact CD1-CD1 3.71Å; F1087-I1093 HydrophobicContact CD2-CD1 3.88Å; F1087-I1093 HydrophobicContact CE1-CD1 4.2Å; F1087-I1093 HydrophobicContact CE2-CD1 4.31Å; F1087-I1093 HydrophobicContact CG-CD1 3.55Å; F1087-I1093 HydrophobicContact CZ-CD1 4.46Å; F1087-L1109 HydrophobicContact CB-CD2 3.47Å; F1087-L1109 VanDerWaalsContact CB-CD2 3.47Å; F1087-V1116 HydrophobicContact CD1-CG1 4.39Å; F1087-V1116 HydrophobicContact CE1-CB 4.48Å; F1087-V1116 HydrophobicContact CE1-CG1 3.68Å; F1087-V1116 HydrophobicContact CZ-CG1 4.1Å; F1087-F1120 HydrophobicContact CE2-CB 3.82Å; F1087-F1120 HydrophobicContact CE2-CD1 4.45Å; F1087-F1120 HydrophobicContact CZ-CB 3.69Å; F1087-F1120 HydrophobicContact CZ-CG 4.36Å
1088R90Very high84.1Confident170 Ų17062.9 Ų62.964%0.64236%0.364SS*.  trans-114.1155.5178.4-69.6-177.9173.5-79.8-2.5111.8A1066 D1069 G1090 D1091A1066-R1088 VanDerWaalsContact CB-O 3.24Å; A1066-R1088 WeakPolarHBondContact CB-O 3.34Å; D1069-R1088 WeakPolarHBondContact OD1-CA 3.32Å; D1069-R1088 VanDerWaalsContact OD1-CB 3.28Å; D1069-R1088 WeakPolarHBondContact OD1-CB 3.27Å; D1069-R1088 IonicContact OD2-NH1 3.86Å; R1088-G1090 PolarHBondContact O-N 3.49Å; R1088-D1091 PolarHBondContact N-OD2 3.29Å; R1088-D1091 VanDerWaalsContact O-CB 3.26Å; R1088-D1091 WeakPolarHBondContact O-CB 3.43Å; R1088-D1091 PolarHBondContact O-N 2.88Å
1089A89.9Confident84.8Confident55 Ų5564 Ų6446%0.45537%0.368SS..THydrogen-bonded Turntrans-54.8125.2173.600000110.6F1068 D1069F1068-A1089 PolarHBondContact O-N 3.24Å; D1069-A1089 PolarHBondContact OD1-N 3.14Å
1090G84.3Confident85.8Confident48 Ų4857.9 Ų57.950%0.49534%0.339SS..THydrogen-bonded Turntrans96.1-8.5-174.200000115.4A1066 R1088A1066-G1090 PolarHBondContact O-N 2.87Å; R1088-G1090 PolarHBondContact O-N 3.49Å
1091D91.8Very high86.4Confident47 Ų4760.3 Ų60.325%0.25135%0.352SS..  trans-67134.7175.6-81.6-30.3000111.7V1065 A1066 F1087 R1088 I1093 L1109V1065-D1091 CarbonylContact C-O 3.41Å; V1065-D1091 WeakPolarHBondContact CA-O 3.45Å; A1066-D1091 HydrophobicContact CB-CB 4.37Å; A1066-D1091 PolarHBondContact N-O 2.83Å; F1087-D1091 HydrophobicContact CB-CB 4.34Å; R1088-D1091 PolarHBondContact N-OD2 3.29Å; R1088-D1091 VanDerWaalsContact O-CB 3.26Å; R1088-D1091 WeakPolarHBondContact O-CB 3.43Å; R1088-D1091 PolarHBondContact O-N 2.88Å; D1091-I1093 PolarHBondContact O-N 3.38Å; D1091-L1109 HydrophobicContact CB-CD1 3.88Å; D1091-L1109 HydrophobicContact CB-CD2 3.77Å
1092V90.8Very high86.4Confident82 Ų8265.6 Ų65.650%0.49738%0.379SS..EExtended strand (participates in β ladder)trans-93.1100.5179.3-174.80000109.8M1064 V1065 L1109M1064-V1092 CarbonylContact O-C 3.51Å; M1064-V1092 WeakPolarHBondContact O-CA 3.24Å; V1065-V1092 HydrophobicContact CG2-CG2 4.46Å; V1092-L1109 WeakPolarHBondContact O-CD1 3.33Å
1093I92.6Very high86.9Confident0 Ų057.4 Ų57.40%035%0.345CS..EExtended strand (participates in β ladder)trans-95129.3-175.1-61.4161.1000109S1063 M1064 A1066 L1085 F1087 D1091 V1095 L1109 V1116 L1121S1063-I1093 CarbonylContact C-O 3.56Å; S1063-I1093 WeakPolarHBondContact CA-O 3.42Å; M1064-I1093 PolarHBondContact N-O 3.43Å; M1064-I1093 PolarHBondContact O-N 2.85Å; A1066-I1093 HydrophobicContact CB-CD1 4.03Å; L1085-I1093 HydrophobicContact CD2-CG2 4.44Å; F1087-I1093 HydrophobicContact CB-CD1 3.89Å; F1087-I1093 HydrophobicContact CD1-CD1 3.71Å; F1087-I1093 HydrophobicContact CD2-CD1 3.88Å; F1087-I1093 HydrophobicContact CE1-CD1 4.2Å; F1087-I1093 HydrophobicContact CE2-CD1 4.31Å; F1087-I1093 HydrophobicContact CG-CD1 3.55Å; F1087-I1093 HydrophobicContact CZ-CD1 4.46Å; D1091-I1093 PolarHBondContact O-N 3.38Å; I1093-V1095 HydrophobicContact CG2-CG2 4.47Å; I1093-L1109 HydrophobicContact CG1-CB 4.17Å; I1093-L1109 HydrophobicContact CG1-CD1 4.12Å; I1093-L1109 HydrophobicContact CG1-CD2 4.14Å; I1093-L1109 HydrophobicContact CG1-CG 4.37Å; I1093-V1116 HydrophobicContact CD1-CG1 4.22Å; I1093-V1116 HydrophobicContact CG2-CG1 4.39Å; I1093-V1116 HydrophobicContact CG2-CG2 4.1Å; I1093-L1121 HydrophobicContact CD1-CD2 3.56Å
1094T91.9Very high87.4Confident47 Ų4756.8 Ų56.829%0.28833%0.334SS..EExtended strand (participates in β ladder)trans-89.9111.7175.6-56.90000109.6P1061 F1096 G1107 E1108P1061-T1094 HydrophobicContact CB-CG2 4.16Å; T1094-F1096 HydrophobicContact CG2-CE1 4.41Å; T1094-F1096 HydrophobicContact CG2-CE2 4Å; T1094-F1096 HydrophobicContact CG2-CZ 3.8Å; T1094-F1096 WeakPolarHBondContact O-CD2 3.39Å; T1094-F1096 WeakPolarHBondContact O-CE2 3.35Å; T1094-G1107 CarbonylContact O-C 3.5Å; T1094-G1107 WeakPolarHBondContact O-CA 3.08Å; T1094-E1108 PolarHBondContact N-O 2.83Å; T1094-E1108 PolarHBondContact O-N 2.86Å
1095V92.2Very high87.4Confident0 Ų058 Ų580%034%0.338CS..EExtended strand (participates in β ladder)trans-89.6141.5179.71670000110.8P1061 H1062 M1064 I1093 Y1105 L1121P1061-V1095 CarbonylContact C-O 3.44Å; P1061-V1095 WeakPolarHBondContact CA-O 3.3Å; H1062-V1095 PolarHBondContact N-O 3.44Å; H1062-V1095 PolarHBondContact O-N 3.47Å; M1064-V1095 HydrophobicContact CG-CG2 4.28Å; M1064-V1095 HydrophobicContact SD-CB 4.41Å; M1064-V1095 HydrophobicContact SD-CG2 3.95Å; I1093-V1095 HydrophobicContact CG2-CG2 4.47Å; V1095-Y1105 HydrophobicContact CG1-CD1 3.4Å; V1095-Y1105 VanDerWaalsContact CG1-CD1 3.4Å; V1095-Y1105 HydrophobicContact CG1-CE1 4.08Å; V1095-Y1105 HydrophobicContact CG1-CG 3.67Å; V1095-Y1105 HydrophobicContact CG2-CD2 4.44Å; V1095-Y1105 HydrophobicContact CG2-CG 4.13Å; V1095-L1121 HydrophobicContact CG2-CD1 3.76Å
1096F87.2Confident87.5Confident55 Ų5561.4 Ų61.424%0.24135%0.351CS..EExtended strand (participates in β ladder)trans-121.3125.4179.2-58-96.1000110.8P1061 T1094 Y1106 E1108P1061-F1096 HydrophobicContact CB-CD1 3.68Å; P1061-F1096 HydrophobicContact CB-CE1 3.77Å; P1061-F1096 HydrophobicContact CB-CG 4.4Å; P1061-F1096 HydrophobicContact CG-CD1 3.57Å; P1061-F1096 HydrophobicContact CG-CE1 3.8Å; T1094-F1096 HydrophobicContact CG2-CE1 4.41Å; T1094-F1096 HydrophobicContact CG2-CE2 4Å; T1094-F1096 HydrophobicContact CG2-CZ 3.8Å; T1094-F1096 WeakPolarHBondContact O-CD2 3.39Å; T1094-F1096 WeakPolarHBondContact O-CE2 3.35Å; F1096-Y1106 HydrophobicContact CD2-CD1 4.49Å; F1096-Y1106 WeakPolarHBondContact CD2-O 3.47Å; F1096-Y1106 PolarHBondContact N-O 3.14Å; F1096-E1108 HydrophobicContact CE2-CB 3.59Å; F1096-E1108 HydrophobicContact CZ-CB 4.19Å
1097G83.6Confident87.5Confident31 Ų3158.5 Ų58.532%0.3233%0.332SS..EExtended strand (participates in β ladder)trans88.5-161.117600000114
1098G77.8Confident87.6Confident49 Ų4959.8 Ų59.851%0.50534%0.338SS..EExtended strand (participates in β ladder)trans-79.3176.3167.600000111.6
1099M85.3Confident87.6Confident97 Ų9752.3 Ų52.348%0.47831%0.311SS..EExtended strand (participates in β ladder)trans-69.8142.3157.3-161.6173.574.900107.3F1104 Y1105 S1118M1099-F1104 CarbonylContact C-O 3.51Å; M1099-F1104 VanDerWaalsContact CA-O 3.32Å; M1099-F1104 WeakPolarHBondContact CA-O 3.43Å; M1099-F1104 VanDerWaalsContact CG-O 3.32Å; M1099-F1104 WeakPolarHBondContact CG-O 3.38Å; M1099-Y1105 HydrophobicContact CB-CD1 4.07Å; M1099-Y1105 HydrophobicContact CB-CE1 3.58Å; M1099-Y1105 HydrophobicContact CG-CD1 4.4Å; M1099-Y1105 HydrophobicContact CG-CE1 4.14Å; M1099-S1118 VanDerWaalsContact SD-CB 3.52Å; M1099-S1118 PolarHBondContact SD-OG 2.84Å; M1099-S1118 VanDerWaalsContact SD-OG 3.41Å
1100D83.7Confident87.2Confident56 Ų5656.7 Ų56.730%0.29933%0.327SS..  trans-77.4171.5168.751.643.3000111.3D1102 G1103 F1104D1100-D1102 PolarHBondContact O-N 3.41Å; D1100-D1102 PolarHBondContact OD1-N 3.5Å; D1100-G1103 PolarHBondContact O-N 2.87Å; D1100-G1103 VanDerWaalsContact O-N 3.09Å; D1100-G1103 PolarHBondContact OD1-N 3.45Å; D1100-F1104 PolarHBondContact N-O 2.84Å; D1100-F1104 WeakPolarHBondContact OD1-CA 3.48Å; D1100-F1104 WeakPolarHBondContact OD1-CB 3.37Å; D1100-F1104 PolarHBondContact OD1-N 3.37Å
1101D78.1Confident87Confident174 Ų17457 Ų5793%0.9333%0.33SS*.THydrogen-bonded Turntrans-66.4-19.9-176.5-59.5-53.4000112.3G1103D1101-G1103 VanDerWaalsContact C-N 3.35Å
1102D77.8Confident86.6Confident141 Ų14160.8 Ų60.875%0.75435%0.346SS*.THydrogen-bonded Turntrans-85.5-3.4175.9-59.8-54.4000113.3D1100 F1104D1100-D1102 PolarHBondContact O-N 3.41Å; D1100-D1102 PolarHBondContact OD1-N 3.5Å; D1102-F1104 HydrophobicContact CB-CD2 4.07Å; D1102-F1104 WeakPolarHBondContact O-CD2 3.42Å
1103G85.7Confident86.6Confident17 Ų1761.6 Ų61.618%0.17534%0.341CS..SBendtrans86.815.2176.400000115.2D1100 D1101 S1118D1100-G1103 PolarHBondContact O-N 2.87Å; D1100-G1103 VanDerWaalsContact O-N 3.09Å; D1100-G1103 PolarHBondContact OD1-N 3.45Å; D1101-G1103 VanDerWaalsContact C-N 3.35Å; G1103-S1118 WeakPolarHBondContact O-CB 3.32Å; G1103-S1118 PolarHBondContact O-N 3.28Å; G1103-S1118 VanDerWaalsContact O-N 3.07Å; G1103-S1118 PolarHBondContact O-OG 3.31Å
1104F89.9Confident86.4Confident36 Ų3661.8 Ų61.816%0.15834%0.342CS..EExtended strand (participates in β ladder)trans-100.5160.9176-67.9-105.2000111.8M1099 D1100 D1102 L1115 P1117M1099-F1104 CarbonylContact C-O 3.51Å; M1099-F1104 VanDerWaalsContact CA-O 3.32Å; M1099-F1104 WeakPolarHBondContact CA-O 3.43Å; M1099-F1104 VanDerWaalsContact CG-O 3.32Å; M1099-F1104 WeakPolarHBondContact CG-O 3.38Å; D1100-F1104 PolarHBondContact N-O 2.84Å; D1100-F1104 WeakPolarHBondContact OD1-CA 3.48Å; D1100-F1104 WeakPolarHBondContact OD1-CB 3.37Å; D1100-F1104 PolarHBondContact OD1-N 3.37Å; D1102-F1104 HydrophobicContact CB-CD2 4.07Å; D1102-F1104 WeakPolarHBondContact O-CD2 3.42Å; F1104-L1115 HydrophobicContact CB-CB 4.36Å; F1104-L1115 HydrophobicContact CB-CD2 4.4Å; F1104-L1115 HydrophobicContact CD1-CB 3.93Å; F1104-L1115 HydrophobicContact CG-CB 4.44Å; F1104-P1117 HydrophobicContact CD1-CB 4.31Å; F1104-P1117 HydrophobicContact CD1-CG 4.09Å; F1104-P1117 HydrophobicContact CE1-CB 4.16Å; F1104-P1117 HydrophobicContact CE1-CG 3.72Å
1105Y91.2Very high86.4Confident37 Ų3762.1 Ų62.115%0.14534%0.342CS..EExtended strand (participates in β ladder)trans-116.3141.1171-74.8-62.7000109.8M1064 V1095 M1099 G1107 L1115 V1116 L1121M1064-Y1105 HydrophobicContact CE-CE2 4.4Å; M1064-Y1105 HydrophobicContact SD-CE2 4.17Å; V1095-Y1105 HydrophobicContact CG1-CD1 3.4Å; V1095-Y1105 VanDerWaalsContact CG1-CD1 3.4Å; V1095-Y1105 HydrophobicContact CG1-CE1 4.08Å; V1095-Y1105 HydrophobicContact CG1-CG 3.67Å; V1095-Y1105 HydrophobicContact CG2-CD2 4.44Å; V1095-Y1105 HydrophobicContact CG2-CG 4.13Å; M1099-Y1105 HydrophobicContact CB-CD1 4.07Å; M1099-Y1105 HydrophobicContact CB-CE1 3.58Å; M1099-Y1105 HydrophobicContact CG-CD1 4.4Å; M1099-Y1105 HydrophobicContact CG-CE1 4.14Å; Y1105-G1107 PolarHBondContact O-N 2.95Å; Y1105-L1115 CarbonylContact O-C 3.57Å; Y1105-V1116 PolarHBondContact N-O 3.28Å; Y1105-V1116 PolarHBondContact O-N 3.24Å; Y1105-L1121 HydrophobicContact CD2-CD1 3.74Å; Y1105-L1121 HydrophobicContact CE2-CD1 4.34Å
1106Y91.5Very high86.4Confident78 Ų7862.1 Ų62.131%0.30634%0.342SS..EExtended strand (participates in β ladder)trans-77108.9166.6-162.2-107.1000109.6K1030 F1096 L1115K1030-Y1106 PolarHBondContact NZ-OH 2.94Å; K1030-Y1106 VanDerWaalsContact NZ-OH 3.15Å; F1096-Y1106 HydrophobicContact CD2-CD1 4.49Å; F1096-Y1106 WeakPolarHBondContact CD2-O 3.47Å; F1096-Y1106 PolarHBondContact N-O 3.14Å; Y1106-L1115 HydrophobicContact CD2-CD2 4.31Å
1107G91.8Very high86.5Confident0 Ų060 Ų600%033%0.334CS..EExtended strand (participates in β ladder)trans-113.1157.8-173.200000114.8T1094 Y1105 R1113 G1114T1094-G1107 CarbonylContact O-C 3.5Å; T1094-G1107 WeakPolarHBondContact O-CA 3.08Å; Y1105-G1107 PolarHBondContact O-N 2.95Å; G1107-R1113 VanDerWaalsContact O-CA 3.3Å; G1107-R1113 WeakPolarHBondContact O-CA 3.3Å; G1107-G1114 PolarHBondContact N-O 3.06Å; G1107-G1114 PolarHBondContact O-N 3.23Å; G1107-G1114 VanDerWaalsContact O-N 3.16Å
1108E92.5Very high86.8Confident36 Ų3659.6 Ų59.617%0.16833%0.326CS..EExtended strand (participates in β ladder)trans-127.9125.2166.5-172.8169.5176.200110.2R1032 T1094 F1096 Q1112 R1113R1032-E1108 IonicContact NH2-OE1 3.23Å; R1032-E1108 IonicContact NH2-OE2 2.7Å; T1094-E1108 PolarHBondContact N-O 2.83Å; T1094-E1108 PolarHBondContact O-N 2.86Å; F1096-E1108 HydrophobicContact CE2-CB 3.59Å; F1096-E1108 HydrophobicContact CZ-CB 4.19Å; E1108-Q1112 CarbonylContact C-O 3.5Å; E1108-Q1112 VanDerWaalsContact CA-O 3.24Å; E1108-Q1112 WeakPolarHBondContact CA-O 3.41Å; E1108-R1113 HydrophobicContact CB-CG 3.89Å; E1108-R1113 HydrophobicContact CG-CG 3.75Å; E1108-R1113 IonicContact OE1-NE 2.77Å; E1108-R1113 IonicContact OE2-CZ 3.24Å; E1108-R1113 IonicContact OE2-NE 2.7Å; E1108-R1113 PolarHBondContact OE2-NE 3.44Å; E1108-R1113 IonicContact OE2-NH2 2.8Å; E1108-R1113 PolarHBondContact OE2-NH2 2.84Å
1109L89.8Confident87.3Confident13 Ų1363.9 Ų63.97%0.06834%0.337CS..EExtended strand (participates in β ladder)trans-132.6130.4174.8-179.463.8000108.4L1085 F1087 D1091 V1092 I1093 G1111 Q1112L1085-L1109 HydrophobicContact CD2-CB 3.72Å; L1085-L1109 HydrophobicContact CG-CB 4.36Å; F1087-L1109 HydrophobicContact CB-CD2 3.47Å; F1087-L1109 VanDerWaalsContact CB-CD2 3.47Å; D1091-L1109 HydrophobicContact CB-CD1 3.88Å; D1091-L1109 HydrophobicContact CB-CD2 3.77Å; V1092-L1109 WeakPolarHBondContact O-CD1 3.33Å; I1093-L1109 HydrophobicContact CG1-CB 4.17Å; I1093-L1109 HydrophobicContact CG1-CD1 4.12Å; I1093-L1109 HydrophobicContact CG1-CD2 4.14Å; I1093-L1109 HydrophobicContact CG1-CG 4.37Å; L1109-G1111 PolarHBondContact O-N 2.86Å; L1109-Q1112 PolarHBondContact N-O 2.91Å; L1109-Q1112 PolarHBondContact O-N 2.81Å
1110N82Confident87.5Confident147 Ų14762 Ų6279%0.78633%0.326SS*.THydrogen-bonded Turntrans51.124.8179.7-62.3-39.6000114.9Q1112N1110-Q1112 VanDerWaalsContact C-N 3.32Å
1111G80Confident87.7Confident55 Ų5560.2 Ų60.257%0.56732%0.317SS*.THydrogen-bonded Turntrans84.1-4.9-177.600000115.5L1109L1109-G1111 PolarHBondContact O-N 2.86Å
1112Q83.4Confident88.1Confident125 Ų12558.2 Ų58.258%0.58430%0.302SS*.EExtended strand (participates in β ladder)trans-83.5146.6166.4-66.5-177.4-3.600109.6L1085 E1108 L1109 N1110L1085-Q1112 HydrophobicContact CD1-CB 3.67Å; E1108-Q1112 CarbonylContact C-O 3.5Å; E1108-Q1112 VanDerWaalsContact CA-O 3.24Å; E1108-Q1112 WeakPolarHBondContact CA-O 3.41Å; L1109-Q1112 PolarHBondContact N-O 2.91Å; L1109-Q1112 PolarHBondContact O-N 2.81Å; N1110-Q1112 VanDerWaalsContact C-N 3.32Å
1113R89.9Confident88.1Confident100 Ų10053.9 Ų53.938%0.37729%0.29SS..EExtended strand (participates in β ladder)trans-130.2131.4-175.6-72175.5163.8-132.8-18.6110G1107 E1108G1107-R1113 VanDerWaalsContact O-CA 3.3Å; G1107-R1113 WeakPolarHBondContact O-CA 3.3Å; E1108-R1113 HydrophobicContact CB-CG 3.89Å; E1108-R1113 HydrophobicContact CG-CG 3.75Å; E1108-R1113 IonicContact OE1-NE 2.77Å; E1108-R1113 IonicContact OE2-CZ 3.24Å; E1108-R1113 IonicContact OE2-NE 2.7Å; E1108-R1113 PolarHBondContact OE2-NE 3.44Å; E1108-R1113 IonicContact OE2-NH2 2.8Å; E1108-R1113 PolarHBondContact OE2-NH2 2.84Å
1114G89.8Confident86.8Confident3 Ų357.2 Ų57.23%0.03131%0.309CS..EExtended strand (participates in β ladder)trans-165.9-178.6-179.900000111.8A1083 G1107A1083-G1114 CarbonylContact O-C 3.52Å; A1083-G1114 WeakPolarHBondContact O-CA 3.45Å; G1107-G1114 PolarHBondContact N-O 3.06Å; G1107-G1114 PolarHBondContact O-N 3.23Å; G1107-G1114 VanDerWaalsContact O-N 3.16Å
1115L91.9Very high84.6Confident55 Ų5558.6 Ų58.629%0.28833%0.333SS..EExtended strand (participates in β ladder)trans-73.2142.6169.4-62.5174.3000110A1083 E1084 L1085 F1104 Y1105 Y1106A1083-L1115 PolarHBondContact O-N 3.33Å; E1084-L1115 WeakPolarHBondContact CA-O 3.27Å; E1084-L1115 HydrophobicContact CG-CB 4.19Å; L1085-L1115 PolarHBondContact N-O 2.8Å; F1104-L1115 HydrophobicContact CB-CB 4.36Å; F1104-L1115 HydrophobicContact CB-CD2 4.4Å; F1104-L1115 HydrophobicContact CD1-CB 3.93Å; F1104-L1115 HydrophobicContact CG-CB 4.44Å; Y1105-L1115 CarbonylContact O-C 3.57Å; Y1106-L1115 HydrophobicContact CD2-CD2 4.31Å
1116V91.3Very high82.3Confident0 Ų063.4 Ų63.40%037%0.369CS..EExtended strand (participates in β ladder)trans-134.4116-174.7176.90000107.9L1085 F1087 I1093 Y1105 S1118 L1121L1085-V1116 HydrophobicContact CB-CG2 3.82Å; L1085-V1116 HydrophobicContact CD2-CG2 3.67Å; L1085-V1116 HydrophobicContact CG-CG2 4.39Å; F1087-V1116 HydrophobicContact CD1-CG1 4.39Å; F1087-V1116 HydrophobicContact CE1-CB 4.48Å; F1087-V1116 HydrophobicContact CE1-CG1 3.68Å; F1087-V1116 HydrophobicContact CZ-CG1 4.1Å; I1093-V1116 HydrophobicContact CD1-CG1 4.22Å; I1093-V1116 HydrophobicContact CG2-CG1 4.39Å; I1093-V1116 HydrophobicContact CG2-CG2 4.1Å; Y1105-V1116 PolarHBondContact N-O 3.28Å; Y1105-V1116 PolarHBondContact O-N 3.24Å; V1116-S1118 PolarHBondContact O-N 3.49Å; V1116-L1121 HydrophobicContact CG1-CD1 3.65Å; V1116-L1121 HydrophobicContact CG1-CD2 3.69Å; V1116-L1121 HydrophobicContact CG1-CG 3.83Å
1117P90.8Very high79.7Confident11 Ų1168.3 Ų68.37%0.07140%0.395CS..EExtended strand (participates in β ladder)trans-62.1127.6-179.2-1725.8000111.4Y1070 F1104 N1119 F1120Y1070-P1117 HydrophobicContact CD1-CG 4.27Å; Y1070-P1117 HydrophobicContact CD2-CG 4.28Å; Y1070-P1117 HydrophobicContact CE1-CG 3.67Å; Y1070-P1117 HydrophobicContact CE2-CG 3.72Å; Y1070-P1117 WeakPolarHBondContact OH-CG 3.39Å; F1104-P1117 HydrophobicContact CD1-CB 4.31Å; F1104-P1117 HydrophobicContact CD1-CG 4.09Å; F1104-P1117 HydrophobicContact CE1-CB 4.16Å; F1104-P1117 HydrophobicContact CE1-CG 3.72Å; P1117-N1119 VanDerWaalsContact C-N 3.28Å; P1117-N1119 PolarHBondContact O-N 3.01Å; P1117-F1120 HydrophobicContact CB-CD2 3.86Å; P1117-F1120 HydrophobicContact CB-CE2 4.45Å; P1117-F1120 HydrophobicContact CG-CD2 4.38Å; P1117-F1120 PolarHBondContact O-N 3.42Å
1118S88.7Confident77.1Confident21 Ų2172.9 Ų72.915%0.14743%0.433CS..G310 helixtrans-59.4-36.8-178.159.10000113.5M1099 G1103 V1116 F1120 L1121M1099-S1118 VanDerWaalsContact SD-CB 3.52Å; M1099-S1118 PolarHBondContact SD-OG 2.84Å; M1099-S1118 VanDerWaalsContact SD-OG 3.41Å; G1103-S1118 WeakPolarHBondContact O-CB 3.32Å; G1103-S1118 PolarHBondContact O-N 3.28Å; G1103-S1118 VanDerWaalsContact O-N 3.07Å; G1103-S1118 PolarHBondContact O-OG 3.31Å; V1116-S1118 PolarHBondContact O-N 3.49Å; S1118-F1120 PolarHBondContact O-N 3.19Å; S1118-L1121 PolarHBondContact O-N 2.89Å
1119N89.1Confident74.3Confident140 Ų14075.2 Ų75.275%0.74947%0.466SS*.G310 helixtrans-58.4-18.2179.6-69-37000114.4P1117P1117-N1119 VanDerWaalsContact C-N 3.28Å; P1117-N1119 PolarHBondContact O-N 3.01Å
1120F88.1Confident71.5Confident56 Ų5678.6 Ų78.625%0.24650%0.504CS..G310 helixtrans-99.61.2-178.3-73-113.2000112.5A1066 A1067 F1068 Y1070 F1087 P1117 S1118A1066-F1120 CarbonylContact C-O 3.55Å; A1066-F1120 WeakPolarHBondContact CA-O 3.4Å; A1067-F1120 PolarHBondContact N-O 3.44Å; F1068-F1120 HydrophobicContact CB-CD1 3.85Å; F1068-F1120 HydrophobicContact CB-CE1 4.23Å; Y1070-F1120 HydrophobicContact CD2-CD1 4.13Å; Y1070-F1120 AromaticContact CD2-CE1 3.86Å; Y1070-F1120 HydrophobicContact CD2-CE1 3.86Å; Y1070-F1120 HydrophobicContact CD2-CE2 4.44Å; Y1070-F1120 HydrophobicContact CD2-CZ 4.03Å; Y1070-F1120 HydrophobicContact CG-CD1 4.4Å; F1087-F1120 HydrophobicContact CE2-CB 3.82Å; F1087-F1120 HydrophobicContact CE2-CD1 4.45Å; F1087-F1120 HydrophobicContact CZ-CB 3.69Å; F1087-F1120 HydrophobicContact CZ-CG 4.36Å; P1117-F1120 HydrophobicContact CB-CD2 3.86Å; P1117-F1120 HydrophobicContact CB-CE2 4.45Å; P1117-F1120 HydrophobicContact CG-CD2 4.38Å; P1117-F1120 PolarHBondContact O-N 3.42Å; S1118-F1120 PolarHBondContact O-N 3.19Å
1121L88.8Confident69.3Low20 Ų2080.1 Ų80.111%0.10551%0.511CS..EExtended strand (participates in β ladder)trans-113.2137.1-177.2-56.3-172.5000113.2M1064 V1065 I1093 V1095 Y1105 V1116 S1118M1064-L1121 HydrophobicContact CB-CB 4.13Å; M1064-L1121 HydrophobicContact CB-CD1 4.05Å; M1064-L1121 HydrophobicContact CE-CB 3.74Å; M1064-L1121 HydrophobicContact CE-CD1 4.37Å; M1064-L1121 HydrophobicContact SD-CB 4.34Å; M1064-L1121 HydrophobicContact SD-CD1 3.91Å; V1065-L1121 WeakPolarHBondContact O-CA 3.3Å; I1093-L1121 HydrophobicContact CD1-CD2 3.56Å; V1095-L1121 HydrophobicContact CG2-CD1 3.76Å; Y1105-L1121 HydrophobicContact CD2-CD1 3.74Å; Y1105-L1121 HydrophobicContact CE2-CD1 4.34Å; V1116-L1121 HydrophobicContact CG1-CD1 3.65Å; V1116-L1121 HydrophobicContact CG1-CD2 3.69Å; V1116-L1121 HydrophobicContact CG1-CG 3.83Å; S1118-L1121 PolarHBondContact O-N 2.89Å
1122E87.4Confident66.9Low132 Ų13285 Ų8562%0.61752%0.524SS*.EExtended strand (participates in β ladder)trans-110.8139.7171.6-166.8169.3-163.400110.6V1065 A1067V1065-E1122 PolarHBondContact N-O 3.38Å; V1065-E1122 PolarHBondContact O-N 3.44Å; A1067-E1122 HydrophobicContact CB-CB 4.45Å
1123G75.9Confident64.4Low49 Ų4990 Ų9051%0.50554%0.538SS..PPolyproline II helixtrans-78.8143.2-177.900000112.8G1125G1123-G1125 PolarHBondContact O-N 2.84Å
1124P59.8Low61.5Low88 Ų8893.5 Ų93.557%0.57156%0.559SS**PPolyproline II helixtrans-70.4118175.229.9-34.6000110.4S1063S1063-P1124 WeakPolarHBondContact O-CD 3.36Å; S1063-P1124 VanDerWaalsContact O-CG 3.24Å; S1063-P1124 WeakPolarHBondContact O-CG 3.44Å
1125G43.3Very low59.2Low65 Ų6597.9 Ų97.967%0.6759%0.587SS**PPolyproline II helixtrans-63.4143177.900000112.9G1123 E1127G1123-G1125 PolarHBondContact O-N 2.84Å; G1125-E1127 PolarHBondContact O-N 2.92Å
1126P43.2Very low56.1Low137 Ų137106.7 Ų106.789%0.8962%0.616SS**PPolyproline II helixtrans-76.3121.2179.429.8-33.4000112
1127E37.1Very low53.2Low182 Ų182112.9 Ų112.985%0.8565%0.654SS**PPolyproline II helixtrans-80.8138.8176.8-88.7-91.5120.800113.5G1125G1125-E1127 PolarHBondContact O-N 2.92Å
1128A37.2Very low50.7Low96 Ų96118 Ų11879%0.79369%0.687SS**  trans63.4111.1150.400000121.4
1129G32.5Very low47.7Very low85 Ų85125.7 Ų125.788%0.87672%0.721SS**  trans178.378.1160.100000118.7
1130G31.4Very low45.1Very low84 Ų84122.9 Ų122.987%0.86672%0.717SS**  trans103.8138.6154.600000118.2
1131L35.4Very low42.2Very low178 Ų178129.3 Ų129.393%0.93275%0.747SS**  trans-99.9135.8-178.2-66.6151.5000111.5
1132D31Very low39.4Very low157 Ų157133.2 Ų133.284%0.8478%0.776SS**  -168170117.1-130.3-37000113.9
1133R30.3Very low36.9Very low231 Ų231135.2 Ų135.287%0.87279%0.786SS**  trans-58.7139.1-156.2-75.1170.1155.6-177.7-6.3123
1134E28.9Very low34.7Very low174 Ų174144.7 Ų144.781%0.81381%0.806SS**  trans-10.6168.8136.3-87.1-156.3101.500122.2
1135P41.3Very low33.3Very low95 Ų95146.3 Ų146.362%0.61782%0.815SS**  cis-143.7152-33.637.5-19.7000115.9
1136R26.7Very low32.7Very low239 Ų239155 Ų15590%0.90283%0.827SS**  trans176.3116.8136.5-101.2166.9-176.2-179.81.4113.1
1137T31.2Very low32.2Very low130 Ų130159.2 Ų159.280%0.79883%0.826SS**  trans13.5134.3149.754.40000119.5
1138P37.1Very low32Very low118 Ų118162.9 Ų162.977%0.76683%0.832SS**  -147.717078.442.1-26.4000118.4
1139Q25.2Very low31.8Very low184 Ų184168 Ų16886%0.8683%0.83SS**  trans86.6128.2144.5-134.2175.2-38.800122.5
1140A34.3Very low31.9Very low80 Ų80170.7 Ų170.766%0.66183%0.829SS**  trans61.5133.4145.300000124.1
1141E27.8Very low32.1Very low191 Ų191173.6 Ų173.689%0.89382%0.821SS**  trans81.4141.9146.6-75.5-176.5167.200123.8
1142S30.3Very low32.1Very low102 Ų102174.7 Ų174.771%0.71384%0.841SS**  trans73.2114.3164.6-88.90000122.6
1143Q35.1Very low32.2Very low175 Ų175175.6 Ų175.682%0.81884%0.841SS**  trans71.2117.7139.5-57.7-177.918.100120.3
1144R28.6Very low32.3Very low247 Ų247172.6 Ų172.693%0.93284%0.839SS**  -148.6127.3117.5-128.6172.5-174.41703.9115.1
1145T31.7Very low32.5Very low122 Ų122172.6 Ų172.675%0.74884%0.841SS**  trans-60.6155.1173.746.70000113.6
1146R31.3Very low32Very low247 Ų247177.1 Ų177.193%0.93285%0.854SS**  trans-128.882.5161.8-142.3-179.5-168-156.22.8112.2
1147R32.6Very low32.3Very low227 Ų227173.3 Ų173.386%0.85785%0.851SS**  trans21118.7146.5-61.6176.9168.8-138.4-6.9117.3
1148R31.8Very low32.4Very low258 Ų258176.1 Ų176.197%0.97485%0.854SS**PPolyproline II helixtrans-96.4143.5137-86.6-170.3172-165.2-0.7109.5
1149R33.3Very low32Very low203 Ų203180.3 Ų180.377%0.76686%0.861SS**PPolyproline II helixtrans-102.8123.7-178.9169.9-168.7-84.8-173.6-5.6106.7
1150V34.9Very low32.5Very low142 Ų142180 Ų18086%0.86186%0.861SS**PPolyproline II helixtrans-68.9131.7165.9-179.50000108.2
1151Q34.6Very low32.4Very low146 Ų146188.3 Ų188.368%0.68288%0.877SS**  trans-153.4107167.6-159.5160.11300110.1
1152C36.9Very low32.8Very low200 Ų200188.1 Ų188.1100%1.35188%0.876SS**  trans47.80166.9-62.50000117.5

Retrieved 1,152 of 1,152 residues in 216.8 ms (Link to these results)