A0A087WU33_HUMAN Loading...

SRC kinase signaling inhibitor 1

AlphaFold DB , UniProt , Accession A0A087WU33, Species HUMAN (Homo sapiens, Human), Gene SRCIN1, Length 473 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
1M42Very low52.5Low245 Ų245143.3 Ų143.3100%1.20768%0.682SS**  0144.20-75.2179.1156.100108.8
2Q46.6Very low52.4Low140 Ų140139.8 Ų139.865%0.65467%0.67SS**  trans-90.6129-174.7-68.7-169-5.500112.6W4 Q5Q2-W4 VanDerWaalsContact C-N 3.28Å; Q2-W4 PolarHBondContact O-N 3.3Å; Q2-Q5 PolarHBondContact O-N 2.87Å
3P50Low52.2Low98 Ų98133.5 Ų133.564%0.63666%0.655SS**Hα-helixtrans-66.5-28-174.826.3-34.8000113.5Q5 C6 L7P3-Q5 PolarHBondContact O-N 3.02Å; P3-C6 WeakPolarHBondContact O-CB 3.18Å; P3-C6 PolarHBondContact O-N 3.42Å; P3-L7 PolarHBondContact O-N 2.95Å
4W45.8Very low52.4Low192 Ų192133.7 Ų133.773%0.72765%0.645SS**Hα-helixtrans-56.3-32.9178.3-62.498.7000113.9Q2 L7 R8Q2-W4 VanDerWaalsContact C-N 3.28Å; Q2-W4 PolarHBondContact O-N 3.3Å; W4-L7 PolarHBondContact O-N 3.35Å; W4-R8 WeakPolarHBondContact O-CB 3.48Å; W4-R8 PolarHBondContact O-N 2.7Å
5Q49.4Very low52.3Low107 Ų107135 Ų13550%0.564%0.641SS.*Hα-helixtrans-68.3-34.7177.1-66.5-7521.300112.2Q2 P3 R9Q2-Q5 PolarHBondContact O-N 2.87Å; P3-Q5 PolarHBondContact O-N 3.02Å; Q5-R9 WeakPolarHBondContact O-CG 3.18Å; Q5-R9 PolarHBondContact O-N 3.42Å; Q5-R9 VanDerWaalsContact O-N 3.14Å
6C53Low51.7Low93 Ų93135.5 Ų135.563%0.62864%0.642SS**Hα-helixtrans-68.6-43.7175.7-62.20000110.9P3 R8 R9 F10P3-C6 WeakPolarHBondContact O-CB 3.18Å; P3-C6 PolarHBondContact O-N 3.42Å; C6-R8 PolarHBondContact O-N 3.08Å; C6-R9 PolarHBondContact O-N 3.16Å; C6-F10 PolarHBondContact O-N 3.36Å
7L58.3Low51.1Low121 Ų121140 Ų14063%0.63465%0.652SS**Hα-helixtrans-61.6-44.4177.2-153.776.4000111.3P3 W4 R9 F10 A11P3-L7 PolarHBondContact O-N 2.95Å; W4-L7 PolarHBondContact O-N 3.35Å; L7-R9 PolarHBondContact O-N 3.26Å; L7-F10 PolarHBondContact O-N 3.21Å; L7-A11 WeakPolarHBondContact O-CB 3.23Å; L7-A11 PolarHBondContact O-N 3.01Å
8R56.3Low51.1Low168 Ų168136.3 Ų136.363%0.63464%0.64SS**Hα-helixtrans-58.7-43.1176-172.7-179.8-177.1-169.32.6112.7W4 C6 L12W4-R8 WeakPolarHBondContact O-CB 3.48Å; W4-R8 PolarHBondContact O-N 2.7Å; C6-R8 PolarHBondContact O-N 3.08Å; R8-L12 HydrophobicContact CG-CD1 4.36Å; R8-L12 WeakPolarHBondContact O-CG 3.14Å; R8-L12 PolarHBondContact O-N 2.84Å; R8-L12 VanDerWaalsContact O-N 3.15Å
9R58.8Low50.7Low197 Ų197132.6 Ų132.674%0.74364%0.636SS**Hα-helixtrans-69.3-36.7177.6-70.8-178.573.4176.73.8112.5Q5 C6 L7 A13Q5-R9 WeakPolarHBondContact O-CG 3.18Å; Q5-R9 PolarHBondContact O-N 3.42Å; Q5-R9 VanDerWaalsContact O-N 3.14Å; C6-R9 PolarHBondContact O-N 3.16Å; L7-R9 PolarHBondContact O-N 3.26Å; R9-A13 PolarHBondContact O-N 3.12Å
10F61.3Low50.2Low164 Ų164134.8 Ų134.872%0.71965%0.645SS**Hα-helixtrans-70-40.5177.4-157.5-91.5000112.1C6 L7 A13 W14C6-F10 PolarHBondContact O-N 3.36Å; L7-F10 PolarHBondContact O-N 3.21Å; F10-A13 PolarHBondContact O-N 2.9Å; F10-W14 PolarHBondContact O-N 2.85Å; F10-W14 VanDerWaalsContact O-N 3.11Å
11A55.6Low49.8Very low51 Ų51131.7 Ų131.742%0.42165%0.649SS.*Hα-helixtrans-63.5-41.9175.700000112.6L7 W14 W15L7-A11 WeakPolarHBondContact O-CB 3.23Å; L7-A11 PolarHBondContact O-N 3.01Å; A11-W14 PolarHBondContact O-N 2.85Å; A11-W15 WeakPolarHBondContact O-CB 3.47Å; A11-W15 PolarHBondContact O-N 2.99Å
12L51.7Low49.6Very low102 Ų102131.1 Ų131.153%0.53463%0.633SS.*Hα-helixtrans-62.5-45.6175.5-75.2166.7000112.1R8 W14 W15 E16R8-L12 HydrophobicContact CG-CD1 4.36Å; R8-L12 WeakPolarHBondContact O-CG 3.14Å; R8-L12 PolarHBondContact O-N 2.84Å; R8-L12 VanDerWaalsContact O-N 3.15Å; L12-W14 PolarHBondContact O-N 2.84Å; L12-W15 PolarHBondContact O-N 2.97Å; L12-E16 WeakPolarHBondContact O-CB 3.44Å; L12-E16 PolarHBondContact O-N 2.77Å
13A49.5Very low49.2Very low57 Ų57129.3 Ų129.347%0.47164%0.642SS.*Hα-helixtrans-65.5-23.8177.400000113.8R9 F10R9-A13 PolarHBondContact O-N 3.12Å; F10-A13 PolarHBondContact O-N 2.9Å
14W55.5Low48.5Very low137 Ų137136.2 Ų136.252%0.51966%0.655SS.*Hα-helixtrans-81.6-37.7173.3-177.977.6000112.5F10 A11 L12 T18 H255F10-W14 PolarHBondContact O-N 2.85Å; F10-W14 VanDerWaalsContact O-N 3.11Å; A11-W14 PolarHBondContact O-N 2.85Å; L12-W14 PolarHBondContact O-N 2.84Å; W14-T18 PolarHBondContact O-N 3.16Å; W14-T18 PolarHBondContact O-OG1 2.71Å; W14-H255 AromaticContact CH2-CE1 3.62Å; W14-H255 AromaticContact CH2-ND1 3.46Å; W14-H255 WeakPolarHBondContact CH2-ND1 3.06Å; W14-H255 AromaticContact CZ2-CE1 3.72Å; W14-H255 AromaticContact CZ2-ND1 3.79Å
15W50.9Low47.8Very low153 Ų153132.4 Ų132.458%0.5866%0.658SS**Hα-helixtrans-63.4-48.6175178.6-94.2000112.1A11 L12 R17 T18 A19A11-W15 WeakPolarHBondContact O-CB 3.47Å; A11-W15 PolarHBondContact O-N 2.99Å; L12-W15 PolarHBondContact O-N 2.97Å; W15-R17 VanDerWaalsContact C-N 3.3Å; W15-R17 PolarHBondContact O-N 2.92Å; W15-T18 PolarHBondContact O-N 2.87Å; W15-T18 PolarHBondContact O-OG1 3.45Å; W15-T18 VanDerWaalsContact O-OG1 3.08Å; W15-A19 PolarHBondContact O-N 2.73Å
16E43.1Very low47.3Very low143 Ų143133.3 Ų133.367%0.66867%0.673SS**Hα-helixtrans-56.8-43.5-178.8-164.2163.6-127.200111.5L12 T18L12-E16 WeakPolarHBondContact O-CB 3.44Å; L12-E16 PolarHBondContact O-N 2.77Å; E16-T18 VanDerWaalsContact C-N 3.3Å; E16-T18 PolarHBondContact O-N 2.97Å
17R40.4Very low46.2Very low212 Ų212139.5 Ų139.580%0.868%0.683SS**Hα-helixtrans-70.5-16.4176.7-173.1169.1-65-173.60.6115W15W15-R17 VanDerWaalsContact C-N 3.3Å; W15-R17 PolarHBondContact O-N 2.92Å
18T50.8Low45Very low73 Ų73141.4 Ų141.445%0.44869%0.689SS.*Hα-helixtrans-103.8-16.8-179.244.90000113.6W14 W15 E16W14-T18 PolarHBondContact O-N 3.16Å; W14-T18 PolarHBondContact O-OG1 2.71Å; W15-T18 PolarHBondContact O-N 2.87Å; W15-T18 PolarHBondContact O-OG1 3.45Å; W15-T18 VanDerWaalsContact O-OG1 3.08Å; E16-T18 VanDerWaalsContact C-N 3.3Å; E16-T18 PolarHBondContact O-N 2.97Å
19A43.7Very low43.9Very low67 Ų67142 Ų14255%0.55470%0.699SS**Hα-helixtrans-71.2-38.317700000113.6W15 G21W15-A19 PolarHBondContact O-N 2.73Å; A19-G21 PolarHBondContact O-N 3.22Å
20E40.4Very low42.7Very low176 Ų176137.4 Ų137.482%0.82270%0.703SS**THydrogen-bonded Turntrans-70.8-15.5-173.6-60.4-176.112800114.2
21G42.2Very low41.4Very low70 Ų70132.7 Ų132.772%0.72270%0.701SS**THydrogen-bonded Turntrans-91.5-1.1-164.400000117.8A19A19-G21 PolarHBondContact O-N 3.22Å
22R39.1Very low41Very low232 Ų232136.4 Ų136.488%0.87572%0.721SS**  trans-141.457.2-166.4-151.9-179.3-174-149-0.9116.8
23A37Very low40.1Very low103 Ų103143.8 Ų143.885%0.85174%0.741SS**  trans-105.858.4171.900000113.7
24R35.7Very low39.4Very low242 Ų242148.4 Ų148.491%0.91376%0.758SS**  trans-144.5130.4160.4-74.9-163.6177.3-174.2-0.9110.9
25S31.5Very low39.3Very low112 Ų112147.2 Ų147.278%0.78377%0.768SS**  trans-94.5148.5174.141.60000111.4
26P37.7Very low38.4Very low126 Ų126144 Ų14482%0.81878%0.783SS**  trans-75.9151.6159.833.8-32.3000109.9
27R31.1Very low37.7Very low223 Ų223141.2 Ų141.284%0.84279%0.792SS**  trans-113.4159.4171.2-170.3168.7-179.5-166.1-3.2110.4
28E33.7Very low37.3Very low161 Ų161143.5 Ų143.575%0.75280%0.801SS**  trans-54.7154.8-161.8-59.5132.9109.700117.5
29E33.3Very low36.3Very low182 Ų182144 Ų14485%0.8582%0.82SS**  trans-76.5153.9167.5-178.9-174.9125.800111.5
30A32.2Very low35.8Very low99 Ų99149.7 Ų149.782%0.81884%0.835SS**  trans-127.4130.8168.100000109.9
31G33.5Very low36Very low66 Ų66146.5 Ų146.568%0.6883%0.83SS**  trans-80170.2-166.500000116.6
32P48.2Very low35.7Very low128 Ų128150 Ų15083%0.83183%0.832SS**  trans-91.4158.7-166.936.1-37.2000115.2
33R33.2Very low36.2Very low257 Ų257143.8 Ų143.897%0.9782%0.822SS**  trans-144.5154.6158-72.4-166.7174.3-177.5-1.9110.3
34D35Very low35.9Very low154 Ų154146.2 Ų146.282%0.82482%0.815SS**  trans-125-171.4-167.1-147.911.9000110.5
35P53.5Low35.7Very low113 Ų113144.3 Ų144.373%0.73481%0.808SS**  -126.2168.9-104.540.2-25000117.3
36G30.5Very low35.7Very low85 Ų85144.2 Ų144.288%0.87681%0.808SS**  trans109.5139.6146.900000118.8
37G29.3Very low35.5Very low84 Ų84143.6 Ų143.687%0.86681%0.806SS**  trans163.4129.1170.500000113.9
38R32.6Very low36.8Very low260 Ų260138.7 Ų138.798%0.98180%0.804SS**  trans-89.7158.1-175.2-62.6176.2173.2-168.9-2.9113.7
39G29.3Very low37.3Very low83 Ų83136.2 Ų136.286%0.85680%0.801SS**  trans178.9130160.300000115.1
40E32Very low37.2Very low187 Ų187136.3 Ų136.387%0.87480%0.804SS**  trans-130.4171174.1-128.1-166.3113.900107.1
41P46.6Very low37.3Very low109 Ų109139.6 Ų139.671%0.70881%0.807SS**  cis-135.4-160.9-4.939-17.2000115.1
42D34.4Very low37.2Very low145 Ų145142.5 Ų142.578%0.77582%0.817SS**  trans-61.1-175.6173.1-141.734000114
43P50.5Low36.6Very low101 Ų101139.9 Ų139.966%0.65681%0.806SS**  cis-144.8177.2944.1-24.3000119.2
44E29.7Very low36.8Very low153 Ų153135.2 Ų135.272%0.71580%0.8SS**  170.2146.9125.8-94.6-103.7103.900116
45R32.5Very low36.9Very low202 Ų202135.2 Ų135.276%0.76280%0.8SS**  trans7998.9148-84.3168.7170.6-97.4-7.7124.7
46S31.3Very low36.2Very low110 Ų110133.4 Ų133.477%0.76980%0.795SS**  86.8144124-60.50000122
47S33.2Very low36.2Very low113 Ų113138.5 Ų138.579%0.7980%0.796SS**  trans-143.3-167.2177.7-48.90000109.5
48P57.4Low36.4Very low121 Ų121144.4 Ų144.479%0.78679%0.793SS**  -99.6-162-80.441.5-28.1000110.9
49P46.1Very low37.1Very low109 Ų109137 Ų13771%0.70878%0.779SS**  -160.8171.177.443.1-21.3000119.8
50M30.2Very low37.6Very low183 Ų183143.3 Ų143.390%0.90178%0.777SS**  trans74.4169.1143.2-79173.974.200123.9
51L35Very low37.8Very low169 Ų169141.9 Ų141.989%0.88577%0.77SS**  trans-130.4-176.1-163-66166.7000111.5
52S31.5Very low37Very low126 Ų126145.5 Ų145.588%0.88177%0.771SS**  trans98.5146169.5-156.60000115.3
53A34.1Very low37Very low73 Ų73148.5 Ų148.560%0.60377%0.771SS**  cis-167.4-173.9-27.500000109.6
54D37.3Very low36.3Very low160 Ų160149.9 Ų149.986%0.85678%0.778SS**  trans65.7172.2168.2-62.1-126.9000117.9
55D37.1Very low36.7Very low154 Ų154151 Ų15182%0.82479%0.788SS**  -152.7-163.2-73.4-154.132.7000107.6
56A38.6Very low36.7Very low75 Ų75145.1 Ų145.162%0.6279%0.79SS**  cis-159.1155.47.600000114.9
57E31.3Very low36.9Very low191 Ų191143.9 Ų143.989%0.89380%0.795SS**  trans61.7157.6146.8-154.9163.1-171.700123.3
58Y34.6Very low36.8Very low209 Ų209142.5 Ų142.582%0.8280%0.799SS**  trans-92.2168-173.8-108.9-95.8000113.9
59P47.2Very low35.6Very low104 Ų104140.8 Ų140.868%0.67580%0.803SS**  -150.2135106.334.4-15.9000118.3
60R38.3Very low35.1Very low216 Ų216139.8 Ų139.882%0.81581%0.812SS**  trans67.796.5132.9-61.6174.6-172141.49122
61E36.6Very low35.2Very low157 Ų157134.9 Ų134.973%0.73481%0.809SS**  -7.3142.6123.143.7164.2-175.400119.7
62Y30.8Very low35.2Very low184 Ų184130.6 Ų130.672%0.72281%0.806SS**  -174.8139.3126.4-112.9-68000114.4
63R33.2Very low35.5Very low208 Ų208130.8 Ų130.879%0.78581%0.807SS**  trans47.9121.5160.8-80153.7-1741622.5118.9
64T35.9Very low35.6Very low131 Ų131131 Ų13180%0.80482%0.817SS**  cis66.611047.7-47.70000114.7
65L39.7Very low35.4Very low176 Ų176127.2 Ų127.292%0.92182%0.815SS**  trans-174.6153.8142.7-107178.7000112.4
66G31Very low36Very low78 Ų78131.8 Ų131.880%0.80482%0.821SS**  trans85.9123.815400000117.9
67G35.8Very low36.1Very low84 Ų84139.2 Ų139.287%0.86683%0.833SS**  trans-145.2160165.500000111.7
68G31.6Very low36.4Very low85 Ų85140.1 Ų140.188%0.87683%0.834SS**  trans113.8152.6170.800000115.9
69G31.3Very low36.5Very low84 Ų84134.8 Ų134.887%0.86683%0.828SS**  trans97.491.9164.600000115.9
70G35.7Very low36.1Very low88 Ų88137.7 Ų137.791%0.90784%0.837SS**  trans-72169.8175.600000115.4
71G33.7Very low36.5Very low81 Ų81133.8 Ų133.884%0.83584%0.837SS**  trans155.794.4166.100000116.6
72G35.1Very low37.1Very low79 Ų79129.8 Ų129.881%0.81484%0.838SS**  trans83.3139.5141.400000120.8
73S36.3Very low37.6Very low129 Ų129128 Ų12890%0.90284%0.84SS**  trans67.7102148.6-155.20000121.3
74G36.6Very low38.3Very low79 Ų79123.6 Ų123.681%0.81484%0.836SS**  90.1161.4122.500000119.4
75G34Very low38.9Very low80 Ų80125.5 Ų125.583%0.82584%0.836SS**  trans102.288.1165.200000116.3R77G75-R77 PolarHBondContact O-N 3.22Å
76R50Low39.3Very low250 Ų250121 Ų12194%0.94382%0.816SS**  trans-58126.9171-55.3168.6-129-118.1-2111.5
77R40.6Very low40.1Very low231 Ų231120.8 Ų120.887%0.87280%0.801SS**  trans-161.4102.4152.1-110.2172.9-170.1-110.63.1110.6G75G75-R77 PolarHBondContact O-N 3.22Å
78F36.8Very low40.6Very low210 Ų210125 Ų12592%0.92180%0.799SS**  trans-94.5118.7161.6-84.8-77.9000108.3
79S37.2Very low41.3Very low97 Ų97131.9 Ų131.968%0.67880%0.798SS**  trans-93.1119.4175.4-62.30000109.3V81S79-V81 VanDerWaalsContact C-N 3.25Å; S79-V81 PolarHBondContact O-N 3.48Å
80N39.3Very low42.1Very low164 Ų164135.8 Ų135.888%0.87779%0.787SS**  trans-78.170.6177.2-75.32.6000111.5
81V46.7Very low42.7Very low135 Ų135138.4 Ų138.482%0.81878%0.775SS**  trans-138.6119.5169.9-173.60000109.2S79S79-V81 VanDerWaalsContact C-N 3.25Å; S79-V81 PolarHBondContact O-N 3.48Å
82G47.9Very low43.7Very low72 Ų72139.4 Ų139.474%0.74277%0.765SS**  trans96.382169.900000116.3
83L41Very low44.4Very low148 Ų148140.1 Ų140.178%0.77575%0.753SS**  trans-13990.1151.7-172.166.8000109.8
84V48.4Very low45.3Very low115 Ų115139.4 Ų139.470%0.69774%0.738SS**  trans-94.7115.5180-1790000109.2
85H49.3Very low46Very low171 Ų171138.3 Ų138.379%0.79272%0.721SS**SBendtrans45.173.7159.9-57.5115.1000119.6
86T48.3Very low46.8Very low82 Ų82137.2 Ų137.250%0.50370%0.704SS.*  trans-140.717.9154.757.30000113.7E88T86-E88 PolarHBondContact O-N 2.85Å
87S47.5Very low46.9Very low72 Ų72131.8 Ų131.850%0.50369%0.69SS.*  trans-99.632.9-15455.60000116.5H91S87-H91 VanDerWaalsContact C-CD2 3.47Å; S87-H91 PolarHBondContact O-CD2 2.82Å
88E46.5Very low47.5Very low173 Ų173123.6 Ų123.681%0.80867%0.668SS**SBendtrans-114-60.9177.6-163.3145.7-141.200111.6T86 R90 H91T86-E88 PolarHBondContact O-N 2.85Å; E88-R90 PolarHBondContact O-N 3.47Å; E88-H91 PolarHBondContact O-N 2.77Å
89R44.3Very low48.2Very low230 Ų230119.6 Ų119.687%0.86866%0.656SS**THydrogen-bonded Turntrans-66.2-12.4-178-151.1176.7-166.2-137.81.7115.3
90R48.2Very low49.1Very low166 Ų166121.8 Ų121.863%0.62666%0.655SS**THydrogen-bonded Turntrans-90-22.2178.6-66.2-175.4179.5-177.51.6113.7E88 I94E88-R90 PolarHBondContact O-N 3.47Å; R90-I94 WeakPolarHBondContact O-CG1 3.49Å; R90-I94 PolarHBondContact O-N 2.97Å
91H49.7Very low49.7Very low143 Ų143117 Ų11766%0.66264%0.639SS**Hα-helixtrans-80-35.8-169.5-74-108.8000112.8S87 E88 A95S87-H91 VanDerWaalsContact C-CD2 3.47Å; S87-H91 PolarHBondContact O-CD2 2.82Å; E88-H91 PolarHBondContact O-N 2.77Å; H91-A95 VanDerWaalsContact O-CB 3.28Å; H91-A95 WeakPolarHBondContact O-CB 3.48Å; H91-A95 PolarHBondContact O-N 3.08Å
92T53.8Low49.8Very low101 Ų101116 Ų11662%0.6263%0.628SS**Hα-helixtrans-63-41.7175.441.10000112.9A95 A96T92-A95 PolarHBondContact O-N 2.84Å; T92-A96 PolarHBondContact O-N 2.98Å; T92-A96 VanDerWaalsContact O-N 3.07Å
93V51.1Low50.3Low95 Ų95116.3 Ų116.358%0.57662%0.619SS**Hα-helixtrans-66.7-45.6-179.9-176.30000111.5A96 Q97V93-A96 PolarHBondContact O-N 2.78Å; V93-Q97 PolarHBondContact O-N 3.41Å; V93-Q97 VanDerWaalsContact O-N 3.17Å
94I53.3Low51Low114 Ų114111.1 Ų111.159%0.58560%0.601SS**Hα-helixtrans-67-38.1178.8-64.1170.1000111R90 S98R90-I94 WeakPolarHBondContact O-CG1 3.49Å; R90-I94 PolarHBondContact O-N 2.97Å; I94-S98 WeakPolarHBondContact O-CB 3.43Å; I94-S98 PolarHBondContact O-N 2.69Å; I94-S98 VanDerWaalsContact O-N 3.07Å
95A52.6Low51.4Low55 Ų55110 Ų11046%0.45559%0.591SS.*Hα-helixtrans-61.8-47.3175.800000111.9H91 T92 S98 L99H91-A95 VanDerWaalsContact O-CB 3.28Å; H91-A95 WeakPolarHBondContact O-CB 3.48Å; H91-A95 PolarHBondContact O-N 3.08Å; T92-A95 PolarHBondContact O-N 2.84Å; A95-S98 PolarHBondContact O-N 3.41Å; A95-S98 PolarHBondContact O-OG 3.41Å; A95-L99 PolarHBondContact O-N 3.49Å
96A50.8Low51.9Low57 Ų57109.2 Ų109.247%0.47159%0.588SS.*Hα-helixtrans-59.2-51.2178.800000112T92 V93 S98 L99 E100T92-A96 PolarHBondContact O-N 2.98Å; T92-A96 VanDerWaalsContact O-N 3.07Å; V93-A96 PolarHBondContact O-N 2.78Å; A96-S98 VanDerWaalsContact C-N 3.25Å; A96-S98 PolarHBondContact O-N 2.83Å; A96-L99 PolarHBondContact O-N 2.91Å; A96-E100 PolarHBondContact O-N 2.86Å
97Q51.4Low52.6Low137 Ų137112.3 Ų112.364%0.6459%0.594SS**Hα-helixtrans-62.9-30.6-179.9-163.6173.543.100112.8V93 A101V93-Q97 PolarHBondContact O-N 3.41Å; V93-Q97 VanDerWaalsContact O-N 3.17Å; Q97-A101 PolarHBondContact O-N 3.45Å
98S54.3Low53.5Low59 Ų59110.6 Ų110.641%0.41358%0.584SS.*Hα-helixtrans-69.1-33.3174.580.50000113.1I94 A95 A96 A101 L102I94-S98 WeakPolarHBondContact O-CB 3.43Å; I94-S98 PolarHBondContact O-N 2.69Å; I94-S98 VanDerWaalsContact O-N 3.07Å; A95-S98 PolarHBondContact O-N 3.41Å; A95-S98 PolarHBondContact O-OG 3.41Å; A96-S98 VanDerWaalsContact C-N 3.25Å; A96-S98 PolarHBondContact O-N 2.83Å; S98-A101 PolarHBondContact O-N 2.87Å; S98-L102 VanDerWaalsContact O-CG 3.29Å; S98-L102 WeakPolarHBondContact O-CG 3.11Å; S98-L102 PolarHBondContact O-N 3.23Å
99L51.2Low54.6Low126 Ų126105.1 Ų105.166%0.6656%0.56SS**Hα-helixtrans-76.9-37.2-175.2-163.1143.8000111.4A95 A96 L102 S103A95-L99 PolarHBondContact O-N 3.49Å; A96-L99 PolarHBondContact O-N 2.91Å; L99-L102 PolarHBondContact O-N 3.39Å; L99-S103 PolarHBondContact O-N 3.1Å
100E55.3Low56.1Low143 Ų14396.8 Ų96.867%0.66854%0.541SS*.Hα-helixtrans-62.7-43.4169.2-64.4-178.4149.300111.7A96 L102 S103 G104A96-E100 PolarHBondContact O-N 2.86Å; E100-L102 PolarHBondContact O-N 2.64Å; E100-S103 PolarHBondContact O-N 2.79Å; E100-G104 PolarHBondContact O-N 3.29Å
101A51.8Low57.6Low64 Ų6491.8 Ų91.853%0.52953%0.527SS..Hα-helixtrans-63.2-40.3177.400000112.7Q97 S98 G104 L105Q97-A101 PolarHBondContact O-N 3.45Å; S98-A101 PolarHBondContact O-N 2.87Å; A101-G104 PolarHBondContact O-N 3.15Å; A101-L105 WeakPolarHBondContact O-CB 3.18Å; A101-L105 PolarHBondContact O-N 3.3Å
102L49.6Very low59.3Low112 Ų11292.3 Ų92.359%0.58652%0.523SS*.Hα-helixtrans-67.2-40.2176.2-72.7168.4000112.4S98 L99 E100 Q106S98-L102 VanDerWaalsContact O-CG 3.29Å; S98-L102 WeakPolarHBondContact O-CG 3.11Å; S98-L102 PolarHBondContact O-N 3.23Å; L99-L102 PolarHBondContact O-N 3.39Å; E100-L102 PolarHBondContact O-N 2.64Å; L102-Q106 PolarHBondContact O-N 3.28Å; L102-Q106 VanDerWaalsContact O-N 3.16Å
103S57.4Low60.8Low79 Ų7994.4 Ų94.455%0.55252%0.523SS*.Hα-helixtrans-65.3-45173.7-176.70000111.7L99 E100 L105 Q106 K107L99-S103 PolarHBondContact O-N 3.1Å; E100-S103 PolarHBondContact O-N 2.79Å; S103-L105 VanDerWaalsContact C-N 3.34Å; S103-L105 PolarHBondContact O-N 3.26Å; S103-Q106 PolarHBondContact O-N 2.93Å; S103-K107 PolarHBondContact O-N 3.3Å
104G56.4Low62.6Low40 Ų4095.4 Ų95.441%0.41252%0.517SS..Hα-helixtrans-60.1-40.4176.300000112.8E100 A101 K107 A108E100-G104 PolarHBondContact O-N 3.29Å; A101-G104 PolarHBondContact O-N 3.15Å; G104-K107 PolarHBondContact O-N 3.26Å; G104-A108 WeakPolarHBondContact O-CB 3.27Å; G104-A108 PolarHBondContact O-N 3.41Å
105L55.8Low64.1Low92 Ų9293.5 Ų93.548%0.48251%0.508SS..Hα-helixtrans-66.5-42.6176.6-175.161.6000112.3A101 S103 K107 A108 D109A101-L105 WeakPolarHBondContact O-CB 3.18Å; A101-L105 PolarHBondContact O-N 3.3Å; S103-L105 VanDerWaalsContact C-N 3.34Å; S103-L105 PolarHBondContact O-N 3.26Å; L105-K107 VanDerWaalsContact C-N 3.33Å; L105-K107 PolarHBondContact O-N 3.26Å; L105-A108 PolarHBondContact O-N 3.02Å; L105-D109 WeakPolarHBondContact O-CB 3.38Å; L105-D109 PolarHBondContact O-N 3.09Å
106Q60.2Low65.8Low154 Ų15493.9 Ų93.972%0.7251%0.511SS*.Hα-helixtrans-62.4-39.7174.9-72.5-169.911.100112.2L102 S103 A110L102-Q106 PolarHBondContact O-N 3.28Å; L102-Q106 VanDerWaalsContact O-N 3.16Å; S103-Q106 PolarHBondContact O-N 2.93Å; Q106-A110 WeakPolarHBondContact O-CB 3.34Å; Q106-A110 PolarHBondContact O-N 3.19Å
107K63.8Low67.4Low146 Ų14697.4 Ų97.464%0.63552%0.516SS*.Hα-helixtrans-64.6-48.2174.4-172.3177.6178.1-1770111.5S103 G104 L105 D109 A110 D111S103-K107 PolarHBondContact O-N 3.3Å; G104-K107 PolarHBondContact O-N 3.26Å; L105-K107 VanDerWaalsContact C-N 3.33Å; L105-K107 PolarHBondContact O-N 3.26Å; K107-D109 VanDerWaalsContact C-N 3.33Å; K107-D109 PolarHBondContact O-N 3.48Å; K107-A110 WeakPolarHBondContact O-CB 3.35Å; K107-A110 PolarHBondContact O-N 3.26Å; K107-A110 VanDerWaalsContact O-N 3.11Å; K107-D111 PolarHBondContact O-N 2.83Å
108A66.7Low69.1Low37 Ų3794.3 Ų94.331%0.30650%0.502SS..Hα-helixtrans-59.9-40.4178.200000112.6G104 L105 D111 R112G104-A108 WeakPolarHBondContact O-CB 3.27Å; G104-A108 PolarHBondContact O-N 3.41Å; L105-A108 PolarHBondContact O-N 3.02Å; A108-D111 PolarHBondContact O-N 2.85Å; A108-R112 WeakPolarHBondContact O-CB 3.42Å; A108-R112 WeakPolarHBondContact O-CD 3.22Å; A108-R112 WeakPolarHBondContact O-CG 3.38Å; A108-R112 PolarHBondContact O-N 3.39Å
109D69.8Low70.6Confident57 Ų5795.7 Ų95.731%0.30551%0.505SS..Hα-helixtrans-75-24.9175.7-81.6-4.8000113.5L105 K107 R112 K113L105-D109 WeakPolarHBondContact O-CB 3.38Å; L105-D109 PolarHBondContact O-N 3.09Å; K107-D109 VanDerWaalsContact C-N 3.33Å; K107-D109 PolarHBondContact O-N 3.48Å; D109-R112 WeakPolarHBondContact OD1-CD 3.28Å; D109-R112 IonicContact OD1-CZ 2.69Å; D109-R112 IonicContact OD1-NH1 2.69Å; D109-R112 PolarHBondContact OD1-NH1 3.08Å; D109-K113 WeakPolarHBondContact O-CB 3.44Å; D109-K113 WeakPolarHBondContact O-CD 3.32Å; D109-K113 WeakPolarHBondContact O-CG 3.27Å; D109-K113 PolarHBondContact O-N 3.38Å
110A74.4Confident72.4Confident56 Ų5695 Ų9546%0.46350%0.498SS..Hα-helixtrans-70.4-44.5169.400000111.2Q106 K107 K113 R114Q106-A110 WeakPolarHBondContact O-CB 3.34Å; Q106-A110 PolarHBondContact O-N 3.19Å; K107-A110 WeakPolarHBondContact O-CB 3.35Å; K107-A110 PolarHBondContact O-N 3.26Å; K107-A110 VanDerWaalsContact O-N 3.11Å; A110-K113 PolarHBondContact O-N 3.31Å; A110-R114 WeakPolarHBondContact O-CB 3.46Å; A110-R114 PolarHBondContact O-N 3.14Å
111D80Confident74Confident61 Ų6190.7 Ų90.733%0.32648%0.479SS..Hα-helixtrans-65.1-45175.8-84.3-53.9000111.9K107 A108 K113 R114 D115K107-D111 PolarHBondContact O-N 2.83Å; A108-D111 PolarHBondContact O-N 2.85Å; D111-K113 VanDerWaalsContact C-N 3.27Å; D111-K113 PolarHBondContact O-N 2.89Å; D111-R114 CarbonylContact O-C 3.4Å; D111-R114 WeakPolarHBondContact O-CA 3.41Å; D111-R114 WeakPolarHBondContact O-CB 3.35Å; D111-R114 PolarHBondContact O-N 2.89Å; D111-R114 VanDerWaalsContact O-N 3.07Å; D111-R114 IonicContact OD1-CZ 2.65Å; D111-R114 VanDerWaalsContact OD1-CZ 3.23Å; D111-R114 IonicContact OD1-NE 2.7Å; D111-R114 PolarHBondContact OD1-NE 3.32Å; D111-R114 IonicContact OD1-NH2 3.13Å; D111-R114 PolarHBondContact OD1-NH2 3.47Å; D111-D115 PolarHBondContact O-N 3.29Å
112R86.1Confident75.3Confident153 Ų15392.6 Ų92.658%0.57748%0.476SS*.Hα-helixtrans-55.9-39.1171.8-73.6163.3177.7165.4-3112.9A108 D109 A116A108-R112 WeakPolarHBondContact O-CB 3.42Å; A108-R112 WeakPolarHBondContact O-CD 3.22Å; A108-R112 WeakPolarHBondContact O-CG 3.38Å; A108-R112 PolarHBondContact O-N 3.39Å; D109-R112 WeakPolarHBondContact OD1-CD 3.28Å; D109-R112 IonicContact OD1-CZ 2.69Å; D109-R112 IonicContact OD1-NH1 2.69Å; D109-R112 PolarHBondContact OD1-NH1 3.08Å; R112-A116 WeakPolarHBondContact O-CB 3.42Å; R112-A116 PolarHBondContact O-N 3.21Å
113K85.7Confident76.8Confident145 Ų14591.8 Ų91.863%0.6348%0.479SS*.Hα-helixtrans-70.4-38.4175.8-74162.7-166153.20111.9D109 A110 D111 F117D109-K113 WeakPolarHBondContact O-CB 3.44Å; D109-K113 WeakPolarHBondContact O-CD 3.32Å; D109-K113 WeakPolarHBondContact O-CG 3.27Å; D109-K113 PolarHBondContact O-N 3.38Å; A110-K113 PolarHBondContact O-N 3.31Å; D111-K113 VanDerWaalsContact C-N 3.27Å; D111-K113 PolarHBondContact O-N 2.89Å; K113-F117 WeakPolarHBondContact O-CB 3.27Å; K113-F117 PolarHBondContact O-N 2.8Å
114R88Confident77.9Confident117 Ų11794.1 Ų94.144%0.44248%0.48SS..Hα-helixtrans-61.9-47.1174-176.6-171.153.850.215.4110.7A110 D111 F117 M118A110-R114 WeakPolarHBondContact O-CB 3.46Å; A110-R114 PolarHBondContact O-N 3.14Å; D111-R114 CarbonylContact O-C 3.4Å; D111-R114 WeakPolarHBondContact O-CA 3.41Å; D111-R114 WeakPolarHBondContact O-CB 3.35Å; D111-R114 PolarHBondContact O-N 2.89Å; D111-R114 VanDerWaalsContact O-N 3.07Å; D111-R114 IonicContact OD1-CZ 2.65Å; D111-R114 VanDerWaalsContact OD1-CZ 3.23Å; D111-R114 IonicContact OD1-NE 2.7Å; D111-R114 PolarHBondContact OD1-NE 3.32Å; D111-R114 IonicContact OD1-NH2 3.13Å; D111-R114 PolarHBondContact OD1-NH2 3.47Å; R114-F117 PolarHBondContact O-N 2.87Å; R114-M118 VanDerWaalsContact O-CG 3.27Å; R114-M118 WeakPolarHBondContact O-CG 3.31Å; R114-M118 PolarHBondContact O-N 2.69Å
115D84.6Confident79.2Confident74 Ų7498.7 Ų98.740%0.39649%0.485SS..Hα-helixtrans-68.6-45.6179-71-46.9000112.1D111 F117 M118 D119D111-D115 PolarHBondContact O-N 3.29Å; D115-F117 VanDerWaalsContact C-N 3.28Å; D115-F117 PolarHBondContact O-N 2.69Å; D115-M118 PolarHBondContact O-N 3.14Å; D115-M118 VanDerWaalsContact O-N 3.12Å; D115-D119 PolarHBondContact O-N 2.99Å
116A88.3Confident79.6Confident62 Ų6298.2 Ų98.251%0.51249%0.488SS..Hα-helixtrans-61.3-34.8174.800000112.9R112 H120R112-A116 WeakPolarHBondContact O-CB 3.42Å; R112-A116 PolarHBondContact O-N 3.21Å; A116-H120 WeakPolarHBondContact O-CB 3.3Å; A116-H120 PolarHBondContact O-N 2.98Å
117F85.5Confident79.6Confident132 Ų13298.5 Ų98.558%0.57949%0.489SS*.Hα-helixtrans-68.2-42.7172.7176-104.7000112K113 R114 D115 H120 L121K113-F117 WeakPolarHBondContact O-CB 3.27Å; K113-F117 PolarHBondContact O-N 2.8Å; R114-F117 PolarHBondContact O-N 2.87Å; D115-F117 VanDerWaalsContact C-N 3.28Å; D115-F117 PolarHBondContact O-N 2.69Å; F117-H120 PolarHBondContact O-N 3.46Å; F117-L121 HydrophobicContact CD1-CD1 4.03Å; F117-L121 HydrophobicContact CE1-CD1 3.46Å; F117-L121 VanDerWaalsContact CE1-CD1 3.46Å; F117-L121 HydrophobicContact CE2-CD1 4.5Å; F117-L121 HydrophobicContact CZ-CD1 3.73Å; F117-L121 HydrophobicContact CZ-CG 4.44Å; F117-L121 PolarHBondContact O-N 3.24Å
118M87.1Confident79.3Confident71 Ų7197 Ų9735%0.3548%0.484SS..Hα-helixtrans-64.4-38175.8-71.8-64.6-7200112.1R114 D115 L121 K122R114-M118 VanDerWaalsContact O-CG 3.27Å; R114-M118 WeakPolarHBondContact O-CG 3.31Å; R114-M118 PolarHBondContact O-N 2.69Å; D115-M118 PolarHBondContact O-N 3.14Å; D115-M118 VanDerWaalsContact O-N 3.12Å; M118-L121 WeakPolarHBondContact O-CB 3.41Å; M118-L121 PolarHBondContact O-N 2.94Å; M118-L121 HydrophobicContact SD-CD1 4.34Å; M118-K122 VanDerWaalsContact O-CG 3.28Å; M118-K122 WeakPolarHBondContact O-CG 3.41Å; M118-K122 PolarHBondContact O-N 2.69Å
119D85.4Confident78.8Confident88 Ų8896.6 Ų96.647%0.47148%0.481SS..Hα-helixtrans-72.4-35175.1-76.5-5.3000112.4D115 L121 K122 S123D115-D119 PolarHBondContact O-N 2.99Å; D119-L121 VanDerWaalsContact C-N 3.32Å; D119-L121 PolarHBondContact O-N 2.77Å; D119-K122 PolarHBondContact O-N 2.65Å; D119-K122 WeakPolarHBondContact OD1-CD 3.33Å; D119-K122 WeakPolarHBondContact OD1-CE 3.33Å; D119-K122 IonicContact OD1-NZ 2.72Å; D119-K122 PolarHBondContact OD1-NZ 2.78Å; D119-S123 VanDerWaalsContact O-CB 3.27Å; D119-S123 WeakPolarHBondContact O-CB 3.42Å; D119-S123 PolarHBondContact O-N 3.49Å
120H89.2Confident78.2Confident111 Ų11199.9 Ų99.951%0.51450%0.498SS..Hα-helixtrans-62.8-39.5169.8-16482.2000111.9A116 F117 S123 K124A116-H120 WeakPolarHBondContact O-CB 3.3Å; A116-H120 PolarHBondContact O-N 2.98Å; F117-H120 PolarHBondContact O-N 3.46Å; H120-S123 PolarHBondContact O-N 3.47Å; H120-K124 WeakPolarHBondContact NE2-CG 3.1Å; H120-K124 WeakPolarHBondContact O-CB 3.41Å; H120-K124 WeakPolarHBondContact O-CG 3.47Å; H120-K124 PolarHBondContact O-N 2.75Å
121L88.6Confident77.4Confident53 Ų53100.2 Ų100.228%0.27750%0.5SS..Hα-helixtrans-60.6-49172.1-100.4163.1000111.8F117 M118 D119 S123 K124 Y125F117-L121 HydrophobicContact CD1-CD1 4.03Å; F117-L121 HydrophobicContact CE1-CD1 3.46Å; F117-L121 VanDerWaalsContact CE1-CD1 3.46Å; F117-L121 HydrophobicContact CE2-CD1 4.5Å; F117-L121 HydrophobicContact CZ-CD1 3.73Å; F117-L121 HydrophobicContact CZ-CG 4.44Å; F117-L121 PolarHBondContact O-N 3.24Å; M118-L121 WeakPolarHBondContact O-CB 3.41Å; M118-L121 PolarHBondContact O-N 2.94Å; M118-L121 HydrophobicContact SD-CD1 4.34Å; D119-L121 VanDerWaalsContact C-N 3.32Å; D119-L121 PolarHBondContact O-N 2.77Å; L121-S123 VanDerWaalsContact C-N 3.31Å; L121-S123 PolarHBondContact O-N 3.5Å; L121-K124 PolarHBondContact O-N 3.13Å; L121-Y125 HydrophobicContact CD2-CD2 4.1Å; L121-Y125 WeakPolarHBondContact O-CA 3.35Å; L121-Y125 WeakPolarHBondContact O-CB 3.26Å; L121-Y125 PolarHBondContact O-N 2.82Å
122K78.3Confident76.1Confident104 Ų104101.6 Ų101.645%0.45251%0.507SS..Hα-helixtrans-58.7-42.3175.9-66164.5-155.31670111.9M118 D119 A129M118-K122 VanDerWaalsContact O-CG 3.28Å; M118-K122 WeakPolarHBondContact O-CG 3.41Å; M118-K122 PolarHBondContact O-N 2.69Å; D119-K122 PolarHBondContact O-N 2.65Å; D119-K122 WeakPolarHBondContact OD1-CD 3.33Å; D119-K122 WeakPolarHBondContact OD1-CE 3.33Å; D119-K122 IonicContact OD1-NZ 2.72Å; D119-K122 PolarHBondContact OD1-NZ 2.78Å; K122-A129 HydrophobicContact CB-CB 4.35Å; K122-A129 HydrophobicContact CG-CB 4Å
123S80.5Confident74.8Confident95 Ų95102.3 Ų102.366%0.66451%0.51SS*.Hα-helixtrans-69.8-41.3-179.3176.50000113.3D119 H120 L121D119-S123 VanDerWaalsContact O-CB 3.27Å; D119-S123 WeakPolarHBondContact O-CB 3.42Å; D119-S123 PolarHBondContact O-N 3.49Å; H120-S123 PolarHBondContact O-N 3.47Å; L121-S123 VanDerWaalsContact C-N 3.31Å; L121-S123 PolarHBondContact O-N 3.5Å
124K82.4Confident73.3Confident129 Ų12997 Ų9756%0.56150%0.496SS*.Hα-helixtrans-82.4-30.1-179.8-72.4-64.1-171.7-179.20114H120 L121H120-K124 WeakPolarHBondContact NE2-CG 3.1Å; H120-K124 WeakPolarHBondContact O-CB 3.41Å; H120-K124 WeakPolarHBondContact O-CG 3.47Å; H120-K124 PolarHBondContact O-N 2.75Å; L121-K124 PolarHBondContact O-N 3.13Å
125Y81.9Confident71.5Confident135 Ų13598.1 Ų98.153%0.52951%0.506SS..  trans-135.262.1-170.3-60.7-78000111.5L121 Q127 H128 A129L121-Y125 HydrophobicContact CD2-CD2 4.1Å; L121-Y125 WeakPolarHBondContact O-CA 3.35Å; L121-Y125 WeakPolarHBondContact O-CB 3.26Å; L121-Y125 PolarHBondContact O-N 2.82Å; Y125-Q127 PolarHBondContact O-N 3.25Å; Y125-H128 PolarHBondContact O-N 3.47Å; Y125-A129 PolarHBondContact O-N 2.9Å; Y125-A129 VanDerWaalsContact O-N 3.16Å
126P65.5Low70Confident82 Ų82101.4 Ų101.453%0.53252%0.519SS..Hα-helixtrans-57.8-34.9-176.122.6-33.9000113H128 A129P126-H128 VanDerWaalsContact C-N 3.28Å; P126-H128 PolarHBondContact O-N 3.01Å; P126-A129 PolarHBondContact O-N 3.46Å
127Q59.3Low68.1Low160 Ų160100.9 Ų100.975%0.74851%0.508SS*.Hα-helixtrans-55.4-39.9172.7-58.8-72.60.200112.4Y125Y125-Q127 PolarHBondContact O-N 3.25Å
128H58.1Low66.3Low115 Ų115103.9 Ų103.953%0.53252%0.515SS..Hα-helixtrans-88.5-21.4-174.3-61.9-94000113Y125 P126 L130 A131 L132Y125-H128 PolarHBondContact O-N 3.47Å; P126-H128 VanDerWaalsContact C-N 3.28Å; P126-H128 PolarHBondContact O-N 3.01Å; H128-L130 VanDerWaalsContact C-N 3.3Å; H128-L130 PolarHBondContact O-N 3.5Å; H128-A131 PolarHBondContact O-N 2.87Å; H128-L132 PolarHBondContact O-N 3.4Å; H128-L132 VanDerWaalsContact O-N 3.09Å
129A56.5Low64.2Low29 Ų29106.1 Ų106.124%0.2453%0.526CS..Hα-helixtrans-61.8-38.2173.700000112.2K122 Y125 P126 R133K122-A129 HydrophobicContact CB-CB 4.35Å; K122-A129 HydrophobicContact CG-CB 4Å; Y125-A129 PolarHBondContact O-N 2.9Å; Y125-A129 VanDerWaalsContact O-N 3.16Å; P126-A129 PolarHBondContact O-N 3.46Å; A129-R133 PolarHBondContact O-N 2.94Å; A129-R133 VanDerWaalsContact O-N 3.16Å
130L57.3Low62.3Low125 Ų125109.5 Ų109.565%0.65453%0.533SS*.Hα-helixtrans-68.9-37.1175.4-65.8175.8000112.1H128 R133 G134H128-L130 VanDerWaalsContact C-N 3.3Å; H128-L130 PolarHBondContact O-N 3.5Å; L130-R133 PolarHBondContact O-N 3Å; L130-G134 PolarHBondContact O-N 2.91Å
131A56.6Low60.1Low63 Ų63111.7 Ų111.752%0.52154%0.543SS..Hα-helixtrans-63.4-43.5175.500000112.2H128 R133 G134 Q135H128-A131 PolarHBondContact O-N 2.87Å; A131-R133 PolarHBondContact O-N 2.91Å; A131-G134 PolarHBondContact O-N 3.28Å; A131-Q135 PolarHBondContact O-N 3.14Å
132L54.1Low57.8Low90 Ų90116.1 Ų116.147%0.47156%0.562SS.*Hα-helixtrans-62.1-40.7174.9-80.6164.2000112.4H128 Q136H128-L132 PolarHBondContact O-N 3.4Å; H128-L132 VanDerWaalsContact O-N 3.09Å; L132-Q136 PolarHBondContact O-N 3.12Å
133R57.2Low56.2Low169 Ų169116.4 Ų116.464%0.63857%0.572SS**Hα-helixtrans-66.5-46.2175.3-165.4-179.6-176.1-176.43.9111.6A129 L130 A131 Q135 Q136 D137A129-R133 PolarHBondContact O-N 2.94Å; A129-R133 VanDerWaalsContact O-N 3.16Å; L130-R133 PolarHBondContact O-N 3Å; A131-R133 PolarHBondContact O-N 2.91Å; R133-Q135 VanDerWaalsContact C-N 3.27Å; R133-Q135 PolarHBondContact O-N 2.75Å; R133-Q136 CarbonylContact O-C 3.59Å; R133-Q136 WeakPolarHBondContact O-CA 3.45Å; R133-Q136 WeakPolarHBondContact O-CB 3.4Å; R133-Q136 PolarHBondContact O-N 2.92Å; R133-D137 PolarHBondContact O-N 3.01Å
134G55.6Low54.3Low32 Ų32114.9 Ų114.933%0.3357%0.571SS.*Hα-helixtrans-60.7-31.9177.500000113.8L130 A131 R138L130-G134 PolarHBondContact O-N 2.91Å; A131-G134 PolarHBondContact O-N 3.28Å; G134-R138 WeakPolarHBondContact O-CB 3.36Å; G134-R138 WeakPolarHBondContact O-CG 3.38Å; G134-R138 PolarHBondContact O-N 2.72Å
135Q50.6Low52.2Low141 Ų141111.4 Ų111.466%0.65957%0.573SS**Hα-helixtrans-69.2-33.3172.3-165.8173.5-7800112.3A131 R133 M139A131-Q135 PolarHBondContact O-N 3.14Å; R133-Q135 VanDerWaalsContact C-N 3.27Å; R133-Q135 PolarHBondContact O-N 2.75Å; Q135-M139 PolarHBondContact O-N 2.95Å
136Q51.5Low49.9Very low144 Ų144114.9 Ų114.967%0.67359%0.585SS**Hα-helixtrans-78.1-36.5176.3-161.5176.227.900112.5L132 R133 M139 R140L132-Q136 PolarHBondContact O-N 3.12Å; R133-Q136 CarbonylContact O-C 3.59Å; R133-Q136 WeakPolarHBondContact O-CA 3.45Å; R133-Q136 WeakPolarHBondContact O-CB 3.4Å; R133-Q136 PolarHBondContact O-N 2.92Å; Q136-M139 PolarHBondContact O-N 2.75Å; Q136-R140 PolarHBondContact O-N 3.39Å
137D48.3Very low48.9Very low50 Ų50117.6 Ų117.627%0.26760%0.6SS.*Hα-helixtrans-65.5-43.5171.8-80.6-60.9000111.3R133 M139 R140 E141R133-D137 PolarHBondContact O-N 3.01Å; D137-M139 VanDerWaalsContact C-N 3.29Å; D137-M139 PolarHBondContact O-N 2.92Å; D137-R140 CarbonylContact O-C 3.58Å; D137-R140 PolarHBondContact O-N 3.24Å; D137-R140 IonicContact OD1-CZ 2.77Å; D137-R140 IonicContact OD1-NH1 3.8Å; D137-R140 PolarHBondContact OD1-NH1 3.01Å; D137-R140 IonicContact OD1-NH2 2.75Å; D137-R140 PolarHBondContact OD1-NH2 2.7Å; D137-E141 PolarHBondContact O-N 2.7Å
138R47.6Very low48.1Very low196 Ų196113 Ų11374%0.7458%0.583SS**Hα-helixtrans-60.5-34173.5-78.4-179.3173.9-175.3-1.8113.7G134 Q142G134-R138 WeakPolarHBondContact O-CB 3.36Å; G134-R138 WeakPolarHBondContact O-CG 3.38Å; G134-R138 PolarHBondContact O-N 2.72Å; R138-Q142 PolarHBondContact O-N 3.23Å
139M43Very low47.3Very low117 Ų117112.3 Ų112.358%0.57658%0.583SS**Hα-helixtrans-67-40.8170.2-85.4-74.1-69.100112.2Q135 Q136 D137 E141 V143Q135-M139 PolarHBondContact O-N 2.95Å; Q136-M139 PolarHBondContact O-N 2.75Å; D137-M139 VanDerWaalsContact C-N 3.29Å; D137-M139 PolarHBondContact O-N 2.92Å; M139-E141 VanDerWaalsContact C-N 3.34Å; M139-V143 WeakPolarHBondContact O-CB 3.49Å; M139-V143 VanDerWaalsContact O-CG2 3.3Å; M139-V143 WeakPolarHBondContact O-CG2 3.25Å; M139-V143 PolarHBondContact O-N 2.97Å; M139-V143 VanDerWaalsContact O-N 3.08Å
140R46.8Very low46.8Very low160 Ų160115.5 Ų115.560%0.60460%0.602SS**Hα-helixtrans-69.7-32.2176.9-163.6176.769.5-95.3-8.1112.2Q136 D137 V143 G144Q136-R140 PolarHBondContact O-N 3.39Å; D137-R140 CarbonylContact O-C 3.58Å; D137-R140 PolarHBondContact O-N 3.24Å; D137-R140 IonicContact OD1-CZ 2.77Å; D137-R140 IonicContact OD1-NH1 3.8Å; D137-R140 PolarHBondContact OD1-NH1 3.01Å; D137-R140 IonicContact OD1-NH2 2.75Å; D137-R140 PolarHBondContact OD1-NH2 2.7Å; R140-V143 PolarHBondContact O-N 2.7Å; R140-G144 PolarHBondContact O-N 2.85Å
141E43.2Very low46.4Very low157 Ų157114.6 Ų114.673%0.73460%0.601SS**Hα-helixtrans-73.2-39.7177.2-154.9171.715800111.8D137 M139 V143 G144D137-E141 PolarHBondContact O-N 2.7Å; M139-E141 VanDerWaalsContact C-N 3.34Å; E141-V143 VanDerWaalsContact C-N 3.29Å; E141-V143 PolarHBondContact O-N 3Å; E141-G144 PolarHBondContact O-N 3.23Å
142Q40.3Very low45.9Very low146 Ų146115.4 Ų115.468%0.68260%0.602SS**Hα-helixtrans-62.2-34167.9-83.8-166.3-12.700113R138 G144 W146R138-Q142 PolarHBondContact O-N 3.23Å; Q142-G144 VanDerWaalsContact C-N 3.34Å; Q142-W146 VanDerWaalsContact O-CD1 3.24Å
143V43.4Very low45.5Very low109 Ų109116.2 Ų116.266%0.66161%0.606SS**Hα-helixtrans-77-19.6176.3169.50000112.7M139 R140 E141 G145M139-V143 WeakPolarHBondContact O-CB 3.49Å; M139-V143 VanDerWaalsContact O-CG2 3.3Å; M139-V143 WeakPolarHBondContact O-CG2 3.25Å; M139-V143 PolarHBondContact O-N 2.97Å; M139-V143 VanDerWaalsContact O-N 3.08Å; R140-V143 PolarHBondContact O-N 2.7Å; E141-V143 VanDerWaalsContact C-N 3.29Å; E141-V143 PolarHBondContact O-N 3Å; V143-G145 VanDerWaalsContact C-N 3.29Å; V143-G145 PolarHBondContact O-N 3.08Å
144G41.3Very low45Very low63 Ų63114.4 Ų114.465%0.64961%0.609SS**THydrogen-bonded Turntrans-73.3-12.6177.800000115.4R140 E141 Q142R140-G144 PolarHBondContact O-N 2.85Å; E141-G144 PolarHBondContact O-N 3.23Å; Q142-G144 VanDerWaalsContact C-N 3.34Å
145G37.1Very low44.4Very low57 Ų57117.2 Ų117.259%0.58862%0.623SS**THydrogen-bonded Turntrans-98.7-2.1-17300000116.8V143V143-G145 VanDerWaalsContact C-N 3.29Å; V143-G145 PolarHBondContact O-N 3.08Å
146W34.8Very low43.9Very low207 Ų207114.9 Ų114.978%0.78462%0.622SS**  trans-119.440.6-167.6-64.888.6000115.1Q142 V148Q142-W146 VanDerWaalsContact O-CD1 3.24Å; W146-V148 HydrophobicContact CE3-CG2 3.76Å; W146-V148 HydrophobicContact CZ3-CG2 4.3Å; W146-V148 PolarHBondContact O-N 3.28Å; W146-V148 VanDerWaalsContact O-N 3.08Å
147T44.3Very low43.4Very low140 Ų140114.8 Ų114.886%0.85963%0.626SS**  trans-79.664153.756.10000109.5D149T147-D149 PolarHBondContact O-N 3.19Å
148V43Very low43.1Very low64 Ų64117.6 Ų117.639%0.38865%0.648SS.*  trans-78.1104.9171.9179.50000107.8W146 C152 L153W146-V148 HydrophobicContact CE3-CG2 3.76Å; W146-V148 HydrophobicContact CZ3-CG2 4.3Å; W146-V148 PolarHBondContact O-N 3.28Å; W146-V148 VanDerWaalsContact O-N 3.08Å; V148-C152 HydrophobicContact CG1-CB 4.33Å; V148-L153 HydrophobicContact CG1-CD1 4.29Å; V148-L153 HydrophobicContact CG1-CD2 4.35Å; V148-L153 HydrophobicContact CG1-CG 3.93Å
149D40Very low42.7Very low100 Ų100113 Ų11354%0.53565%0.646SS.*  trans-56.7128.5173.7-156.9-45.8000109.7T147 V151 C152T147-D149 PolarHBondContact O-N 3.19Å; D149-V151 PolarHBondContact O-N 3.27Å; D149-C152 WeakPolarHBondContact O-CB 3.36Å; D149-C152 PolarHBondContact O-N 2.86Å
150P46.2Very low42.5Very low96 Ų96115.5 Ų115.562%0.62366%0.656SS**Hα-helixtrans-56.6-21.1-173.418.5-32.8000114.7C152 L153P150-C152 VanDerWaalsContact C-N 3.29Å; P150-C152 PolarHBondContact O-N 3.36Å; P150-L153 PolarHBondContact O-N 3.28Å
151V49.8Very low42.3Very low105 Ų105115.6 Ų115.664%0.63667%0.667SS**Hα-helixtrans-60.8-35.9173.7-173.90000112.2D149D149-V151 PolarHBondContact O-N 3.27Å
152C46.7Very low41.8Very low81 Ų81117.3 Ų117.355%0.54768%0.675SS.*Hα-helixtrans-71.1-32.8-176.4-69.60000113.2V148 D149 P150 S155 S156V148-C152 HydrophobicContact CG1-CB 4.33Å; D149-C152 WeakPolarHBondContact O-CB 3.36Å; D149-C152 PolarHBondContact O-N 2.86Å; P150-C152 VanDerWaalsContact C-N 3.29Å; P150-C152 PolarHBondContact O-N 3.36Å; C152-S155 PolarHBondContact O-N 2.95Å; C152-S156 PolarHBondContact O-N 2.87Å
153L45.3Very low41.3Very low106 Ų106114.1 Ų114.156%0.55568%0.681SS**Hα-helixtrans-69.9-35.6178.9-72.5170000112.2V148 P150 S155 S156 L157V148-L153 HydrophobicContact CG1-CD1 4.29Å; V148-L153 HydrophobicContact CG1-CD2 4.35Å; V148-L153 HydrophobicContact CG1-CG 3.93Å; P150-L153 PolarHBondContact O-N 3.28Å; L153-S155 VanDerWaalsContact C-N 3.34Å; L153-S155 PolarHBondContact O-N 3.08Å; L153-S156 PolarHBondContact O-N 2.99Å; L153-L157 PolarHBondContact O-N 3.37Å
154L46.9Very low40.7Very low132 Ų132116.1 Ų116.169%0.69169%0.688SS**Hα-helixtrans-63.6-38.2176.8-75.9163.6000112.4
155S43Very low40.2Very low91 Ų91118.3 Ų118.364%0.63669%0.694SS**Hα-helixtrans-68-34.6178.6-158.40000112.5C152 L153C152-S155 PolarHBondContact O-N 2.95Å; L153-S155 VanDerWaalsContact C-N 3.34Å; L153-S155 PolarHBondContact O-N 3.08Å
156S39.7Very low40Very low91 Ų91120.1 Ų120.164%0.63670%0.703SS**Hα-helixtrans-73.4-30.3-179.6-164.20000113.4C152 L153 C158 S159C152-S156 PolarHBondContact O-N 2.87Å; L153-S156 PolarHBondContact O-N 2.99Å; S156-C158 VanDerWaalsContact C-N 3.31Å; S156-C158 PolarHBondContact O-N 2.99Å; S156-S159 PolarHBondContact O-N 3.3Å
157L41Very low40.9Very low142 Ų142115.8 Ų115.874%0.74370%0.702SS**Hα-helixtrans-71-20.3179.2-96.7152.3000114.4L153 S159L153-L157 PolarHBondContact O-N 3.37Å; L157-S159 VanDerWaalsContact C-N 3.29Å; L157-S159 PolarHBondContact O-N 3.33Å
158C42.1Very low40.2Very low110 Ų110115.2 Ų115.274%0.74370%0.703SS**G310 helixtrans-73.6-21.1179.1-151.80000112.9S156S156-C158 VanDerWaalsContact C-N 3.31Å; S156-C158 PolarHBondContact O-N 2.99Å
159S39.3Very low39.5Very low98 Ų98116.1 Ų116.169%0.68573%0.725SS**G310 helixtrans-9817.6-168.1-55.50000115S156 L157S156-S159 PolarHBondContact O-N 3.3Å; L157-S159 VanDerWaalsContact C-N 3.29Å; L157-S159 PolarHBondContact O-N 3.33Å
160H38.3Very low39.1Very low171 Ų171116.6 Ų116.679%0.79274%0.743SS**G310 helixtrans-126.728.3177.8-147.170.3000114.7
161L43Very low38.2Very low161 Ų161115.8 Ų115.884%0.84375%0.752SS**SBendtrans-133.357.3162.7-76.3179.5000111
162H33.1Very low37.2Very low193 Ų193119.7 Ų119.789%0.89476%0.764SS**  trans-166.4130.1144.3-106.978.8000109.3
163G29.9Very low37.6Very low79 Ų79121.5 Ų121.581%0.81477%0.774SS**  trans-145.2101.516600000109
164D30.3Very low36.7Very low152 Ų152120.8 Ų120.881%0.81378%0.784SS**  trans-165.2163.1132.5-150.5-11.5000110.6
165S30.8Very low35.8Very low109 Ų109123 Ų12376%0.76279%0.791SS**  trans69.7147.5165.9-64.60000119.4
166A32.3Very low34.9Very low94 Ų94123.2 Ų123.278%0.77779%0.788SS**  trans-144.3-171179.500000108
167P53.8Low34.3Very low117 Ų117130.2 Ų130.276%0.7680%0.8SS**  cis-130.2171.7-13.641.1-27.3000113.6
168S30.3Very low33.8Very low128 Ų128129.1 Ų129.190%0.89581%0.805SS**  trans157.9157.1141.9-77.60000113.3
169G28.2Very low33.2Very low82 Ų82129.4 Ų129.485%0.84581%0.808SS**  trans127.811816000000115.6
170A30.4Very low33Very low111 Ų111135.7 Ų135.792%0.91782%0.817SS**  trans-87.4160.4-179.500000113.7
171G27.7Very low32.6Very low79 Ų79136 Ų13681%0.81482%0.818SS**  trans155.9119.1161.100000117.5
172Q29.2Very low32Very low187 Ų187133 Ų13387%0.87481%0.807SS**  trans-130.6177.8158.7-76.8-164.98.500107.6
173P54Low32.1Very low118 Ų118133 Ų13377%0.76681%0.807SS**  -134.8170.6-52.738.7-23.7000113.6
174A26.8Very low32.1Very low91 Ų91132.7 Ų132.775%0.75280%0.804SS**  trans-155.5123.3164.100000109.9
175Q27.8Very low32Very low180 Ų180130.5 Ų130.584%0.84181%0.807SS**  70.7142.179.6-70.1-150.339.700115.2
176T25.6Very low32.1Very low95 Ų95134 Ų13458%0.58381%0.811SS**  cis-170.8144.9-6.7-94.90000112.1
177R27.3Very low32.9Very low237 Ų237135.3 Ų135.389%0.89481%0.812SS**  trans57119157.8-77.6167.6-178.5167.4-1124.8
178S30.5Very low31.7Very low119 Ų119132.9 Ų132.983%0.83281%0.808SS**  trans-19.7152133.7-179.80000121.4
179S28.3Very low31.7Very low117 Ų117135.7 Ų135.782%0.81881%0.812SS**  trans-158.6169.6134.6-161.70000113.9
180R36.1Very low31.9Very low229 Ų229136.2 Ų136.286%0.86481%0.808SS**  trans-119.7155.5174.5-85.3-173.3171.6-152.70.5111.3
181H28.7Very low32.2Very low178 Ų178138.7 Ų138.782%0.82481%0.806SS**  trans-151.4168.1150.5-148.9-95.1000113.1
182T30.7Very low32.6Very low98 Ų98143.3 Ų143.360%0.60181%0.807SS**  trans-143.6176.3-178.553.10000112.2
183Q36.1Very low32.6Very low193 Ų193139.1 Ų139.190%0.90280%0.804SS**  trans72.2146.1178.7-48.3179.75.400115
184G28.1Very low31.6Very low72 Ų72137.2 Ų137.274%0.74280%0.798SS**  cis179.2-165-3.900000113.5
185A28.6Very low32Very low107 Ų107142 Ų14288%0.88480%0.802SS**  trans84.2151.1171.800000120.8
186Q32.7Very low32.6Very low181 Ų181141.1 Ų141.185%0.84680%0.802SS**  trans-159179.1-176.5-83.1-79.8-28.500105.3
187P49.3Very low32.9Very low122 Ų122141 Ų14179%0.79281%0.805SS**  cis-129.9-164.2-643-27000112.7
188G28.5Very low33.1Very low66 Ų66140.6 Ų140.668%0.6881%0.805SS**  trans149.9119.9138.100000120.7
189L31.4Very low33.1Very low188 Ų188139.3 Ų139.398%0.98480%0.801SS**  trans67.3163.5152.9-76.5165.9000120.7
190A31.4Very low33.3Very low92 Ų92139.8 Ų139.876%0.7681%0.805SS**  trans-150.8164.2-168.800000110.8
191D37.2Very low33.4Very low164 Ų164133.8 Ų133.888%0.87781%0.805SS**  trans-142.4174.6165.4-154.2-88.8000110.7
192Q36.3Very low33.9Very low176 Ų176134.6 Ų134.682%0.82281%0.809SS**  trans-130.6142.8-160.2-95.4-165.89200116.1
193A30Very low34.1Very low99 Ų99135.4 Ų135.482%0.81882%0.818SS**  trans68.1168.9156.900000115.5
194A31.8Very low34.2Very low77 Ų77133.3 Ų133.364%0.63681%0.813SS**  cis-156.4165.310.100000113.6
195K35.4Very low35.1Very low192 Ų192137.7 Ų137.784%0.83581%0.813SS**  trans91139.1154.5-50.4174.1-172.9174.50120.2
196L39.9Very low35.6Very low162 Ų162139.5 Ų139.585%0.84881%0.814SS**  trans72.5155160.9-46.8-170.3000118.8
197S31.4Very low35.6Very low92 Ų92138.9 Ų138.964%0.64381%0.813SS**  -173.7140.8-52.3-106.70000110.9
198Y33.1Very low35.2Very low229 Ų229138.5 Ų138.590%0.89881%0.813SS**  trans44.5127.6157.9-72.7-85000123
199A30.9Very low35.4Very low91 Ų91144.6 Ų144.675%0.75282%0.824SS**  trans-46.8156.616800000118.2
200S32.6Very low35.9Very low127 Ų127140 Ų14089%0.88881%0.813SS**  trans-156.9136.1140.4-78.60000109.4
201A36.2Very low36.2Very low104 Ų104144 Ų14486%0.8682%0.816SS**  trans-155.352.117900000111.4
202E41.2Very low36.5Very low195 Ų195143.1 Ų143.191%0.91181%0.811SS**  trans-129.9101.1-178.5-64-17815400109.7
203S33.7Very low37Very low115 Ų115140.5 Ų140.580%0.80481%0.809SS**  trans-164.498.9160.6-153.20000109.3
204L38.8Very low37.6Very low149 Ų149144.6 Ų144.678%0.7882%0.816SS**  85.2114.983-133.8172.2000113.5
205E47.6Very low38Very low163 Ų163144.4 Ų144.476%0.76282%0.822SS**  trans-62.3146.2173.6-72.488.615300114.3
206T37.9Very low38Very low146 Ų146145.2 Ų145.290%0.89683%0.826SS**  trans-160.8175.1139.11.30000111.5
207M31.9Very low37.8Very low168 Ų168142.9 Ų142.983%0.82882%0.823SS**  trans-102.8167.9-159.5-54.8-170.7-60.700115.3
208S41Very low38.9Very low114 Ų114149.5 Ų149.580%0.79783%0.834SS**  trans64.9161.3166.656.10000116
209E33.4Very low39.4Very low193 Ų193146.4 Ų146.490%0.90283%0.829SS**  cis-135.3-178.12.1-149.717014000110.3
210A41.8Very low39.9Very low91 Ų91147.4 Ų147.475%0.75282%0.822SS**  trans-119.1139.9-173.600000113.1
211E38.2Very low41Very low177 Ų177153.2 Ų153.283%0.82783%0.825SS**  trans-151.6157.7150.2-129.8-160.9137.100114.7
212L42.3Very low41.7Very low146 Ų146157.1 Ų157.176%0.76482%0.822SS**  trans69.8119.8168.7-62.5174000119.3
213P47.3Very low42.3Very low121 Ų121158 Ų15879%0.78682%0.817SS**  trans-106.8140-174.138.5-31.9000114.6
214L43.9Very low43.2Very low184 Ų184159.9 Ų159.996%0.96381%0.813SS**  trans-114.7113.9171.8-81.6168.4000112.8
215G38.5Very low43.8Very low74 Ų74158.1 Ų158.176%0.76381%0.814SS**  trans94.462.8147.800000119.3S217G215-S217 PolarHBondContact O-N 3.04Å
216F36.6Very low44.4Very low209 Ų209156.6 Ų156.692%0.91781%0.81SS**  trans-66.491.7157-95.3-82.7000111R218F216-R218 PolarHBondContact O-N 3.28Å
217S36Very low45.2Very low112 Ų112155.1 Ų155.178%0.78380%0.803SS**  trans-75.984.6174.6-169.10000112.1G215 M219G215-S217 PolarHBondContact O-N 3.04Å; S217-M219 VanDerWaalsContact C-N 3.31Å; S217-M219 PolarHBondContact O-N 3.22Å
218R54Low46.1Very low232 Ų232155.4 Ų155.488%0.87581%0.807SS**  trans-75.673.7169.7-78.9-173.9168.2-1710.5111.3F216F216-R218 PolarHBondContact O-N 3.28Å
219M42.9Very low46.4Very low164 Ų164155.4 Ų155.481%0.80881%0.807SS**  trans-150.466.4176.7-157.569.677.600116.3S217S217-M219 VanDerWaalsContact C-N 3.31Å; S217-M219 PolarHBondContact O-N 3.22Å
220N41.3Very low47.2Very low111 Ų111157.3 Ų157.359%0.59481%0.806SS**  trans-159.259.6142.4-148.5-32.8000115.2F222 R223N220-F222 PolarHBondContact O-N 2.96Å; N220-F222 PolarHBondContact OD1-N 3.03Å; N220-R223 PolarHBondContact OD1-N 3.17Å
221R56.9Low47.3Very low250 Ų250156.6 Ų156.694%0.94380%0.795SS**THydrogen-bonded Turntrans-80.847.9162.4-80.6-169178.1173.6-1.7111.8
222F51.4Low47.8Very low186 Ų186152.3 Ų152.382%0.81679%0.79SS**THydrogen-bonded Turntrans-16741.7159.5-106.4-60.3000115.1N220N220-F222 PolarHBondContact O-N 2.96Å; N220-F222 PolarHBondContact OD1-N 3.03Å
223R53.5Low47.9Very low214 Ų214148.9 Ų148.981%0.80878%0.778SS**SBendtrans-112.2111.8149.7-76.7-163.1167.8-121.6-6.4109.5N220 S225N220-R223 PolarHBondContact OD1-N 3.17Å; R223-S225 PolarHBondContact O-N 3.07Å
224Q52.5Low48Very low153 Ų153150.1 Ų150.172%0.71577%0.773SS**  trans-58.1105.1173.5-66.8169.8-11.200108.1L226Q224-L226 PolarHBondContact O-N 2.96Å
225S50Low48.3Very low113 Ų113144.9 Ų144.979%0.7975%0.75SS**  trans-65.683.7151.556.40000106.3R223R223-S225 PolarHBondContact O-N 3.07Å
226L60.5Low48.9Very low131 Ų131150.3 Ų150.369%0.68675%0.752SS**  trans-46.1128163.6-67174.4000106.1Q224 L228Q224-L226 PolarHBondContact O-N 2.96Å; L226-L228 PolarHBondContact O-N 2.97Å
227P54.7Low49.6Very low115 Ų115148.1 Ų148.175%0.74775%0.749SS**  trans-54122.6-177.422.7-32.9000107S229P227-S229 VanDerWaalsContact C-N 3.3Å; P227-S229 WeakPolarHBondContact O-CA 3.35Å; P227-S229 PolarHBondContact O-N 2.85Å
228L51.5Low50.7Low174 Ų174151.8 Ų151.891%0.91175%0.746SS**  trans-52.997.6-174.9-100.3163.4000108L226 R230L226-L228 PolarHBondContact O-N 2.97Å; L228-R230 PolarHBondContact O-N 3.03Å
229S46.5Very low51.2Low113 Ų113145.1 Ų145.179%0.7974%0.735SS**  trans-61.8115.6-161.9-174.60000107.1P227 S231P227-S229 VanDerWaalsContact C-N 3.3Å; P227-S229 WeakPolarHBondContact O-CA 3.35Å; P227-S229 PolarHBondContact O-N 2.85Å; S229-S231 VanDerWaalsContact C-N 3.31Å; S229-S231 PolarHBondContact O-N 3.03Å
230R51.7Low52.8Low233 Ų233140.7 Ų140.788%0.87972%0.718SS**  trans-54.793.8-162-88.8-179.7159.8-172.7-4.8109.8L228 A232L228-R230 PolarHBondContact O-N 3.03Å; R230-A232 PolarHBondContact O-N 3.43Å
231S43Very low55Low76 Ų76136.4 Ų136.453%0.53170%0.701SS.*  trans-67124.9-176.5-171.10000107.8S229 S233 Q234S229-S231 VanDerWaalsContact C-N 3.31Å; S229-S231 PolarHBondContact O-N 3.03Å; S231-S233 WeakPolarHBondContact CB-OG 3.33Å; S231-S233 PolarHBondContact O-N 3.3Å; S231-S233 PolarHBondContact OG-OG 3.25Å; S231-Q234 PolarHBondContact O-N 2.92Å
232A49.2Very low56.7Low87 Ų87125.6 Ų125.672%0.71966%0.662SS**G310 helixtrans-58.2-8.8179.900000113.2R230 Q234 T235R230-A232 PolarHBondContact O-N 3.43Å; A232-Q234 VanDerWaalsContact C-N 3.35Å; A232-T235 PolarHBondContact O-OG1 3.21Å
233S44.5Very low58.8Low74 Ų74117 Ų11752%0.51762%0.624SS.*G310 helixtrans-69.9-17.2171.165.50000115.3S231 T235 K236S231-S233 WeakPolarHBondContact CB-OG 3.33Å; S231-S233 PolarHBondContact O-N 3.3Å; S231-S233 PolarHBondContact OG-OG 3.25Å; S233-T235 PolarHBondContact O-N 3.49Å; S233-T235 VanDerWaalsContact O-N 3.08Å; S233-K236 PolarHBondContact O-N 3.26Å
234Q48.8Very low60.9Low147 Ų147110.1 Ų110.169%0.68760%0.601SS**G310 helixtrans-62.8-19.1-179.9-158.1-174.311.400112.7S231 A232 K236 L237S231-Q234 PolarHBondContact O-N 2.92Å; A232-Q234 VanDerWaalsContact C-N 3.35Å; Q234-K236 PolarHBondContact O-N 3.43Å; Q234-L237 PolarHBondContact O-N 2.99Å
235T50.9Low63.1Low75 Ų75102.9 Ų102.946%0.4657%0.567SS.*G310 helixtrans-53.5-30.3169.952.20000113.7A232 S233 L237 R238A232-T235 PolarHBondContact O-OG1 3.21Å; S233-T235 PolarHBondContact O-N 3.49Å; S233-T235 VanDerWaalsContact O-N 3.08Å; T235-L237 VanDerWaalsContact C-N 3.27Å; T235-L237 PolarHBondContact O-N 3.38Å; T235-R238 PolarHBondContact O-N 3.11Å
236K51.1Low65.3Low188 Ų188100 Ų10082%0.81754%0.541SS*.G310 helixtrans-71.4-10.7-178.1-89.4-178.6172.7176.70115.9S233 Q234S233-K236 PolarHBondContact O-N 3.26Å; Q234-K236 PolarHBondContact O-N 3.43Å
237L50.1Low67Low163 Ų16395.7 Ų95.785%0.85352%0.517SS*.G310 helixtrans-109-3.7177.2-63.9178.3000113.3Q234 T235Q234-L237 PolarHBondContact O-N 2.99Å; T235-L237 VanDerWaalsContact C-N 3.27Å; T235-L237 PolarHBondContact O-N 3.38Å
238R60.5Low68.8Low188 Ų18892.8 Ų92.871%0.70951%0.508SS*.SBendtrans-81.9134.8169-162.5171.8-17691.4-2.9108.1T235T235-R238 PolarHBondContact O-N 3.11Å
239S64.8Low70.9Confident93 Ų9393.8 Ų93.865%0.6551%0.508SS*.PPolyproline II helixtrans-57135170.648.90000109.6G241S239-G241 PolarHBondContact O-N 3.42Å
240P76.1Confident73.2Confident70 Ų7090.8 Ų90.846%0.45548%0.481SS..PPolyproline II helixtrans-58.9127179.424.8-33.7000109.5I256 T257P240-I256 CarbonylContact C-O 3.55Å; P240-I256 VanDerWaalsContact CA-O 3.29Å; P240-I256 WeakPolarHBondContact CA-O 3.39Å; P240-I256 WeakPolarHBondContact CB-O 3.45Å; P240-T257 HydrophobicContact CB-CG2 4.27Å
241G87.2Confident75.4Confident22 Ų2283.6 Ų83.623%0.22746%0.463CS..EExtended strand (participates in β ladder)trans-64156.1-175.700000111.7S239 H255 I256 D311S239-G241 PolarHBondContact O-N 3.42Å; G241-H255 CarbonylContact O-C 3.55Å; G241-H255 WeakPolarHBondContact O-CA 3.28Å; G241-I256 PolarHBondContact N-O 3.06Å; G241-I256 PolarHBondContact O-N 3.15Å; G241-D311 WeakPolarHBondContact CA-OD1 3.39Å
242V93.1Very high78Confident23 Ų2383.6 Ų83.614%0.13945%0.451CS..EExtended strand (participates in β ladder)trans-117.6125.5-178179.30000109.2F244 R253 V254 D311 R312V242-F244 HydrophobicContact CG1-CE2 4.01Å; V242-F244 HydrophobicContact CG1-CZ 4.03Å; V242-R253 VanDerWaalsContact CG1-CD 3.47Å; V242-R253 HydrophobicContact CG1-CG 3.39Å; V242-V254 VanDerWaalsContact CA-O 3.3Å; V242-V254 WeakPolarHBondContact CA-O 3.49Å; V242-D311 PolarHBondContact N-OD1 3.48Å; V242-R312 WeakPolarHBondContact O-CA 3.43Å; V242-R312 PolarHBondContact O-N 3.16Å
243L95.5Very high80.2Confident4 Ų486.3 Ų86.32%0.02144%0.443CS..EExtended strand (participates in β ladder)trans-108148.7170.2-63.5-168.1000111.3L245 R253 V254 I256 I309 Q310 I315L243-L245 HydrophobicContact CB-CD2 4.35Å; L243-R253 WeakPolarHBondContact O-CA 3.29Å; L243-V254 HydrophobicContact CB-CB 4.49Å; L243-V254 HydrophobicContact CB-CG1 4.1Å; L243-V254 PolarHBondContact N-O 3.19Å; L243-V254 PolarHBondContact O-N 3.27Å; L243-I256 HydrophobicContact CD1-CD1 3.41Å; L243-I256 VanDerWaalsContact CD1-CD1 3.41Å; L243-I256 HydrophobicContact CG-CD1 3.65Å; L243-I256 HydrophobicContact CG-CG1 4.28Å; L243-I309 HydrophobicContact CD1-CG2 3.79Å; L243-I309 HydrophobicContact CD2-CG2 3.77Å; L243-I309 HydrophobicContact CG-CG2 4.41Å; L243-Q310 WeakPolarHBondContact CD2-O 3.47Å; L243-I315 HydrophobicContact CD1-CD1 4.1Å
244F97.2Very high82.6Confident71 Ų7183.2 Ų83.231%0.31142%0.421SS..EExtended strand (participates in β ladder)trans-112.1108.9170.9-61.4-88.5000108.6V242 R253 R312 S313 I314 I315V242-F244 HydrophobicContact CG1-CE2 4.01Å; V242-F244 HydrophobicContact CG1-CZ 4.03Å; F244-R253 HydrophobicContact CD1-CB 4.28Å; F244-R253 HydrophobicContact CD1-CG 3.97Å; F244-R253 HydrophobicContact CE1-CB 4.29Å; F244-R253 HydrophobicContact CE1-CG 3.69Å; F244-R253 HydrophobicContact CZ-CG 4.21Å; F244-R312 HydrophobicContact CE2-CB 4.13Å; F244-R312 HydrophobicContact CE2-CG 4.3Å; F244-S313 PolarHBondContact N-O 3.16Å; F244-S313 VanDerWaalsContact N-O 3.14Å; F244-I314 HydrophobicContact CB-CG1 4.28Å; F244-I314 HydrophobicContact CD2-CG1 4.48Å; F244-I315 PolarHBondContact O-N 3.34Å
245L97.4Very high84.6Confident0 Ų079.9 Ų79.90%041%0.405CS..EExtended strand (participates in β ladder)trans-100129.6178.6-49.4176.6000109.1L243 T251 R252 V254 L269 I270 M273 F274 I315 I317L243-L245 HydrophobicContact CB-CD2 4.35Å; L245-T251 CarbonylContact O-C 3.55Å; L245-T251 WeakPolarHBondContact O-CA 3.39Å; L245-R252 PolarHBondContact N-O 3.14Å; L245-R252 PolarHBondContact O-N 3.01Å; L245-V254 HydrophobicContact CD1-CG2 4.43Å; L245-L269 HydrophobicContact CD1-CD2 3.75Å; L245-L269 HydrophobicContact CD2-CD2 4.41Å; L245-I270 HydrophobicContact CD1-CG1 4.19Å; L245-I270 HydrophobicContact CD2-CG1 4.43Å; L245-M273 HydrophobicContact CD1-CB 4.06Å; L245-M273 HydrophobicContact CD1-CG 3.91Å; L245-F274 HydrophobicContact CB-CE2 3.74Å; L245-F274 HydrophobicContact CB-CZ 4.09Å; L245-F274 HydrophobicContact CD1-CE2 4.24Å; L245-I315 CarbonylContact C-O 3.47Å; L245-I315 WeakPolarHBondContact CA-O 3.28Å; L245-I315 HydrophobicContact CD2-CB 4.12Å; L245-I315 HydrophobicContact CD2-CD1 4.34Å; L245-I317 HydrophobicContact CB-CD1 4.28Å
246Q97.6Very high86.4Confident53 Ų5377.4 Ų77.425%0.24839%0.389CS..EExtended strand (participates in β ladder)trans-121.8127.7176.6180177.89.400110.7G248 E250 I315 K316 I317Q246-G248 VanDerWaalsContact CG-O 3.27Å; Q246-G248 WeakPolarHBondContact CG-O 3.3Å; Q246-G248 PolarHBondContact NE2-O 3.28Å; Q246-E250 WeakPolarHBondContact CA-O 3.41Å; Q246-I315 PolarHBondContact N-O 3.18Å; Q246-K316 HydrophobicContact CB-CG 4.08Å; Q246-K316 HydrophobicContact CG-CG 4.39Å; Q246-K316 WeakPolarHBondContact O-CA 3.45Å; Q246-I317 WeakPolarHBondContact O-CD1 3.35Å; Q246-I317 PolarHBondContact O-N 2.96Å
247F96.6Very high87.7Confident41 Ų4173.2 Ų73.218%0.1838%0.379CS..EExtended strand (participates in β ladder)trans-127.2107.1169.5178.8-107.1000109.7E249 E250 F274 K277 L278 I317 R319F247-E249 PolarHBondContact O-N 3.05Å; F247-E250 PolarHBondContact N-O 3.4Å; F247-E250 PolarHBondContact O-N 3.23Å; F247-E250 VanDerWaalsContact O-N 3.1Å; F247-F274 HydrophobicContact CB-CD1 4.28Å; F247-F274 HydrophobicContact CB-CE1 4.07Å; F247-F274 HydrophobicContact CB-CE2 4.46Å; F247-F274 HydrophobicContact CB-CZ 4.16Å; F247-K277 HydrophobicContact CD1-CB 4.06Å; F247-K277 HydrophobicContact CD1-CD 3.88Å; F247-K277 HydrophobicContact CE1-CB 3.89Å; F247-K277 HydrophobicContact CE1-CD 4.04Å; F247-K277 HydrophobicContact CE1-CG 4.45Å; F247-L278 HydrophobicContact CB-CD1 4.27Å; F247-L278 HydrophobicContact CD1-CG 4.42Å; F247-L278 HydrophobicContact CD2-CD1 3.96Å; F247-L278 HydrophobicContact CD2-CD2 4.02Å; F247-L278 HydrophobicContact CD2-CG 4.28Å; F247-L278 HydrophobicContact CE1-CD2 4.41Å; F247-L278 HydrophobicContact CE1-CG 4.5Å; F247-L278 HydrophobicContact CE2-CD1 4.49Å; F247-L278 HydrophobicContact CE2-CD2 3.71Å; F247-L278 HydrophobicContact CE2-CG 4.37Å; F247-L278 HydrophobicContact CG-CD1 3.97Å; F247-L278 HydrophobicContact CG-CG 4.31Å; F247-L278 HydrophobicContact CZ-CD2 3.92Å; F247-L278 HydrophobicContact CZ-CG 4.47Å; F247-I317 HydrophobicContact CD2-CB 4.02Å; F247-I317 HydrophobicContact CD2-CG2 4.01Å; F247-I317 WeakPolarHBondContact CD2-O 3.46Å; F247-R319 HydrophobicContact CE2-CB 4.26Å
248G92.8Very high88.9Confident54 Ų5472.3 Ų72.356%0.55737%0.371SS*.THydrogen-bonded Turntrans59.3-126.7-167.500000111.2Q246 E250Q246-G248 VanDerWaalsContact CG-O 3.27Å; Q246-G248 WeakPolarHBondContact CG-O 3.3Å; Q246-G248 PolarHBondContact NE2-O 3.28Å; G248-E250 VanDerWaalsContact C-N 3.34Å
249E94.5Very high89.8Confident195 Ų19570.9 Ų70.991%0.91137%0.372SS*.THydrogen-bonded Turntrans-75.5-20.9175.7-62.1173.1174.300113.1F247 T251F247-E249 PolarHBondContact O-N 3.05Å; E249-T251 PolarHBondContact O-N 2.99Å
250E95.8Very high90.9Very high49 Ų4967.4 Ų67.423%0.22935%0.347CS..EExtended strand (participates in β ladder)trans-85.5115.1-171.4-166.8-179.9171.800111.5Q246 F247 G248 R252 F274 K277Q246-E250 WeakPolarHBondContact CA-O 3.41Å; F247-E250 PolarHBondContact N-O 3.4Å; F247-E250 PolarHBondContact O-N 3.23Å; F247-E250 VanDerWaalsContact O-N 3.1Å; G248-E250 VanDerWaalsContact C-N 3.34Å; E250-R252 IonicContact OE1-CZ 3.29Å; E250-R252 IonicContact OE1-NE 2.69Å; E250-R252 PolarHBondContact OE1-NE 3.31Å; E250-R252 IonicContact OE1-NH2 3.3Å; E250-R252 PolarHBondContact OE1-NH2 3.04Å; E250-F274 HydrophobicContact CB-CE1 4.16Å; E250-F274 HydrophobicContact CG-CD1 4.46Å; E250-F274 HydrophobicContact CG-CE1 3.93Å; E250-K277 WeakPolarHBondContact OE2-CD 3.31Å; E250-K277 VanDerWaalsContact OE2-CE 3.26Å; E250-K277 WeakPolarHBondContact OE2-CE 3.26Å; E250-K277 IonicContact OE2-NZ 3.16Å; E250-K277 PolarHBondContact OE2-NZ 2.92Å
251T97.2Very high91.4Very high82 Ų8268.9 Ų68.950%0.50336%0.359SS..EExtended strand (participates in β ladder)trans-110.2127.3175.8-560000110.7L245 E249L245-T251 CarbonylContact O-C 3.55Å; L245-T251 WeakPolarHBondContact O-CA 3.39Å; E249-T251 PolarHBondContact O-N 2.99Å
252R96.8Very high91.7Very high76 Ų7670 Ų7029%0.28736%0.363SS..EExtended strand (participates in β ladder)trans-121.4136.2178.6-67.5-174.5174.4-131.4-9.4110.6L245 E250 M273 F274L245-R252 PolarHBondContact N-O 3.14Å; L245-R252 PolarHBondContact O-N 3.01Å; E250-R252 IonicContact OE1-CZ 3.29Å; E250-R252 IonicContact OE1-NE 2.69Å; E250-R252 PolarHBondContact OE1-NE 3.31Å; E250-R252 IonicContact OE1-NH2 3.3Å; E250-R252 PolarHBondContact OE1-NH2 3.04Å; R252-M273 HydrophobicContact CB-CE 4.12Å; R252-M273 WeakPolarHBondContact CD-O 3.37Å; R252-M273 PolarHBondContact NE-O 3.07Å; R252-M273 VanDerWaalsContact NE-O 3.12Å; R252-M273 PolarHBondContact NH1-O 2.95Å; R252-F274 HydrophobicContact CB-CE1 4.4Å; R252-F274 HydrophobicContact CB-CZ 4.05Å; R252-F274 HydrophobicContact CG-CE1 3.79Å; R252-F274 HydrophobicContact CG-CZ 3.96Å
253R95.8Very high91.7Very high144 Ų14471.9 Ų71.954%0.54337%0.372SS..EExtended strand (participates in β ladder)trans-95.8130.5173.9-164179.9101.6-169.34.8110.1V242 L243 F244 H255V242-R253 VanDerWaalsContact CG1-CD 3.47Å; V242-R253 HydrophobicContact CG1-CG 3.39Å; L243-R253 WeakPolarHBondContact O-CA 3.29Å; F244-R253 HydrophobicContact CD1-CB 4.28Å; F244-R253 HydrophobicContact CD1-CG 3.97Å; F244-R253 HydrophobicContact CE1-CB 4.29Å; F244-R253 HydrophobicContact CE1-CG 3.69Å; F244-R253 HydrophobicContact CZ-CG 4.21Å; R253-H255 PolarHBondContact NH2-CE1 3.26Å; R253-H255 PolarHBondContact NH2-NE2 3.05Å
254V94.7Very high91.7Very high10 Ų1075.3 Ų75.36%0.06139%0.391CS..EExtended strand (participates in β ladder)trans-112.9147.9178.31310000109.8V242 L243 L245 I256 L269 M273V242-V254 VanDerWaalsContact CA-O 3.3Å; V242-V254 WeakPolarHBondContact CA-O 3.49Å; L243-V254 HydrophobicContact CB-CB 4.49Å; L243-V254 HydrophobicContact CB-CG1 4.1Å; L243-V254 PolarHBondContact N-O 3.19Å; L243-V254 PolarHBondContact O-N 3.27Å; L245-V254 HydrophobicContact CD1-CG2 4.43Å; V254-I256 HydrophobicContact CG1-CD1 3.81Å; V254-I256 HydrophobicContact CG1-CG1 3.32Å; V254-L269 HydrophobicContact CG1-CD1 3.96Å; V254-L269 HydrophobicContact CG1-CD2 4.18Å; V254-L269 HydrophobicContact CG2-CD1 4.39Å; V254-L269 HydrophobicContact CG2-CD2 4.35Å; V254-L269 HydrophobicContact CG2-CG 4.4Å; V254-M273 HydrophobicContact CG2-CE 3.92Å; V254-M273 HydrophobicContact CG2-CG 3.46Å; V254-M273 VanDerWaalsContact CG2-CG 3.46Å; V254-M273 HydrophobicContact CG2-SD 3.45Å; V254-M273 WeakPolarHBondContact CG2-SD 3.47Å
255H91.9Very high91.5Very high76 Ų7675 Ų7535%0.35239%0.394SS..EExtended strand (participates in β ladder)trans-107.7134.7164.7-60.298.5000109W14 G241 R253W14-H255 AromaticContact CH2-CE1 3.62Å; W14-H255 AromaticContact CH2-ND1 3.46Å; W14-H255 WeakPolarHBondContact CH2-ND1 3.06Å; W14-H255 AromaticContact CZ2-CE1 3.72Å; W14-H255 AromaticContact CZ2-ND1 3.79Å; G241-H255 CarbonylContact O-C 3.55Å; G241-H255 WeakPolarHBondContact O-CA 3.28Å; R253-H255 PolarHBondContact NH2-CE1 3.26Å; R253-H255 PolarHBondContact NH2-NE2 3.05Å
256I88.2Confident91.4Very high23 Ų2375 Ų7512%0.11839%0.394CS..EExtended strand (participates in β ladder)trans-120.4117.2-174.3-63.5-154.6000109.2P240 G241 L243 V254 H258 V260 L269P240-I256 CarbonylContact C-O 3.55Å; P240-I256 VanDerWaalsContact CA-O 3.29Å; P240-I256 WeakPolarHBondContact CA-O 3.39Å; P240-I256 WeakPolarHBondContact CB-O 3.45Å; G241-I256 PolarHBondContact N-O 3.06Å; G241-I256 PolarHBondContact O-N 3.15Å; L243-I256 HydrophobicContact CD1-CD1 3.41Å; L243-I256 VanDerWaalsContact CD1-CD1 3.41Å; L243-I256 HydrophobicContact CG-CD1 3.65Å; L243-I256 HydrophobicContact CG-CG1 4.28Å; V254-I256 HydrophobicContact CG1-CD1 3.81Å; V254-I256 HydrophobicContact CG1-CG1 3.32Å; I256-H258 WeakPolarHBondContact CG2-O 2.89Å; I256-V260 HydrophobicContact CD1-CG2 3.55Å; I256-V260 HydrophobicContact CG2-CG2 4.35Å; I256-L269 HydrophobicContact CD1-CD1 4.07Å; I256-L269 HydrophobicContact CG1-CD1 4.39Å
257T79Confident91.3Very high100 Ų10073.4 Ų73.461%0.61339%0.387SS*.SBendtrans-91.6-12.7-179.858.60000113.6P240P240-T257 HydrophobicContact CB-CG2 4.27Å
258H75Confident91.2Very high144 Ų14473.7 Ų73.767%0.66740%0.397SS*.SBendtrans-142.1134.5-179.2-55-57.3000109.2I256I256-H258 WeakPolarHBondContact CG2-O 2.89Å
259E79.6Confident91.3Very high158 Ų15873.1 Ų73.174%0.73838%0.381SS*.  trans-54.1139.8-178.8-67.2166.7-176.400111.7S261E259-S261 PolarHBondContact O-N 3.47Å
260V86.9Confident91.4Very high21 Ų2163.9 Ų63.913%0.12734%0.338CS..  trans-75.592.4-174.7-179.70000108.9I256 S262 L266 V306 I309I256-V260 HydrophobicContact CD1-CG2 3.55Å; I256-V260 HydrophobicContact CG2-CG2 4.35Å; V260-S262 PolarHBondContact O-N 3.07Å; V260-L266 HydrophobicContact CG1-CB 3.89Å; V260-L266 HydrophobicContact CG1-CD1 4.48Å; V260-V306 WeakPolarHBondContact O-CB 3.49Å; V260-V306 WeakPolarHBondContact O-CG2 3.36Å; V260-I309 HydrophobicContact CB-CD1 3.94Å; V260-I309 HydrophobicContact CG1-CD1 3.77Å; V260-I309 HydrophobicContact CG2-CG2 4.48Å
261S87.6Confident91.4Very high101 Ų10162.3 Ų62.371%0.70633%0.333SS*.  trans-82.7-7.2-169.5600000115.2E259E259-S261 PolarHBondContact O-N 3.47Å
262S92.5Very high91.3Very high45 Ų4565.3 Ų65.332%0.31534%0.341SS..SBendtrans-156.2152.9174.975.10000113.3V260 D264 T265 L266V260-S262 PolarHBondContact O-N 3.07Å; S262-D264 PolarHBondContact O-N 3.17Å; S262-T265 PolarHBondContact N-OG1 3.48Å; S262-T265 PolarHBondContact O-N 3.43Å; S262-T265 PolarHBondContact O-OG1 3.43Å; S262-T265 PolarHBondContact OG-N 3.03Å; S262-L266 PolarHBondContact O-N 3.29Å; S262-L266 VanDerWaalsContact O-N 3.14Å
263L93.6Very high91.2Very high63 Ų6363.2 Ų63.233%0.3334%0.335SS..Hα-helixtrans-55.1-34.4173.9-82.2169.1000111.8T265 L266 H267 V306L263-T265 PolarHBondContact O-N 3.39Å; L263-L266 HydrophobicContact CD2-CD2 4.3Å; L263-L266 CarbonylContact O-C 3.55Å; L263-L266 WeakPolarHBondContact O-CA 3.29Å; L263-L266 WeakPolarHBondContact O-CB 3.35Å; L263-L266 PolarHBondContact O-N 3.21Å; L263-L266 VanDerWaalsContact O-N 3.13Å; L263-H267 PolarHBondContact O-CD2 3Å; L263-H267 PolarHBondContact O-N 2.72Å; L263-H267 PolarHBondContact O-ND1 3.48Å; L263-V306 HydrophobicContact CD2-CG1 4.16Å; L263-V306 HydrophobicContact CG-CG1 3.93Å
264D94.3Very high91.2Very high76 Ų7656.5 Ų56.541%0.40631%0.31SS..Hα-helixtrans-67.4-32.8175.9-901.4000113.8S262 H267 A268 K284S262-D264 PolarHBondContact O-N 3.17Å; D264-H267 PolarHBondContact O-N 3.07Å; D264-H267 IonicContact OD1-ND1 3.12Å; D264-H267 PolarHBondContact OD1-ND1 3.16Å; D264-A268 WeakPolarHBondContact O-CB 3.43Å; D264-A268 PolarHBondContact O-N 3.45Å; D264-K284 VanDerWaalsContact OD1-CE 3.25Å; D264-K284 WeakPolarHBondContact OD1-CE 3.37Å; D264-K284 IonicContact OD1-NZ 2.79Å; D264-K284 PolarHBondContact OD1-NZ 3.27Å; D264-K284 IonicContact OD2-NZ 2.64Å; D264-K284 PolarHBondContact OD2-NZ 2.83Å
265T93.4Very high91.2Very high63 Ų6359.9 Ų59.939%0.38733%0.332SS..Hα-helixtrans-68.9-35.4169.458.80000112.2S262 L263 A268 L269S262-T265 PolarHBondContact N-OG1 3.48Å; S262-T265 PolarHBondContact O-N 3.43Å; S262-T265 PolarHBondContact O-OG1 3.43Å; S262-T265 PolarHBondContact OG-N 3.03Å; L263-T265 PolarHBondContact O-N 3.39Å; T265-A268 PolarHBondContact O-N 3.45Å; T265-L269 WeakPolarHBondContact O-CB 3.47Å; T265-L269 PolarHBondContact O-N 3.31Å
266L94.8Very high91.3Very high0 Ų065 Ų650%036%0.356CS..Hα-helixtrans-65.7-44.3172.4-174.162.6000111.5V260 S262 L263 A268 L269 I270 I290 L303 I309 I315V260-L266 HydrophobicContact CG1-CB 3.89Å; V260-L266 HydrophobicContact CG1-CD1 4.48Å; S262-L266 PolarHBondContact O-N 3.29Å; S262-L266 VanDerWaalsContact O-N 3.14Å; L263-L266 HydrophobicContact CD2-CD2 4.3Å; L263-L266 CarbonylContact O-C 3.55Å; L263-L266 WeakPolarHBondContact O-CA 3.29Å; L263-L266 WeakPolarHBondContact O-CB 3.35Å; L263-L266 PolarHBondContact O-N 3.21Å; L263-L266 VanDerWaalsContact O-N 3.13Å; L266-A268 PolarHBondContact O-N 2.97Å; L266-L269 HydrophobicContact CD1-CD2 4.33Å; L266-L269 PolarHBondContact O-N 3.45Å; L266-I270 HydrophobicContact CD1-CD1 4.13Å; L266-I270 HydrophobicContact CD1-CG1 4.35Å; L266-I270 HydrophobicContact CD2-CD1 4.39Å; L266-I270 HydrophobicContact CG-CD1 3.78Å; L266-I270 HydrophobicContact CG-CG1 4.41Å; L266-I270 WeakPolarHBondContact O-CB 3.45Å; L266-I270 VanDerWaalsContact O-CG1 3.28Å; L266-I270 WeakPolarHBondContact O-CG1 3.25Å; L266-I270 PolarHBondContact O-N 3.27Å; L266-I290 HydrophobicContact CD2-CD1 4.44Å; L266-I290 HydrophobicContact CD2-CG2 4.15Å; L266-L303 HydrophobicContact CD2-CD2 3.49Å; L266-L303 VanDerWaalsContact CD2-CD2 3.49Å; L266-I309 HydrophobicContact CD1-CD1 4.45Å; L266-I309 HydrophobicContact CD2-CD1 4.06Å; L266-I315 HydrophobicContact CD1-CD1 4.18Å
267H95.6Very high91.4Very high20 Ų2068.6 Ų68.69%0.09337%0.371CS..Hα-helixtrans-61.2-42.5175.9-62150.6000111.9L263 D264 L269 I270 A271 M280 L283 I290L263-H267 PolarHBondContact O-CD2 3Å; L263-H267 PolarHBondContact O-N 2.72Å; L263-H267 PolarHBondContact O-ND1 3.48Å; D264-H267 PolarHBondContact O-N 3.07Å; D264-H267 IonicContact OD1-ND1 3.12Å; D264-H267 PolarHBondContact OD1-ND1 3.16Å; H267-L269 VanDerWaalsContact C-N 3.35Å; H267-I270 PolarHBondContact O-N 2.84Å; H267-A271 VanDerWaalsContact O-CB 3.29Å; H267-A271 WeakPolarHBondContact O-CB 3.46Å; H267-A271 PolarHBondContact O-N 3.35Å; H267-M280 HydrophobicContact CB-CE 3.9Å; H267-M280 HydrophobicContact CB-SD 3.7Å; H267-L283 HydrophobicContact CB-CB 4.21Å; H267-L283 HydrophobicContact CB-CD1 4.43Å; H267-L283 WeakPolarHBondContact O-CD1 3.37Å; H267-I290 WeakPolarHBondContact NE2-CD1 3.47Å
268A95Very high92.2Very high47 Ų4764 Ų6439%0.38834%0.342SS..Hα-helixtrans-63.5-42.1176.300000111.5D264 T265 L266 H272 M280D264-A268 WeakPolarHBondContact O-CB 3.43Å; D264-A268 PolarHBondContact O-N 3.45Å; T265-A268 PolarHBondContact O-N 3.45Å; L266-A268 PolarHBondContact O-N 2.97Å; A268-H272 VanDerWaalsContact O-CB 3.25Å; A268-H272 WeakPolarHBondContact O-CB 3.41Å; A268-H272 PolarHBondContact O-N 3.27Å; A268-M280 HydrophobicContact CB-CE 3.87Å
269L95.1Very high93.1Very high43 Ų4360.9 Ų60.923%0.22533%0.333CS..Hα-helixtrans-65-47.2175.9-179125.6000111.9L245 V254 I256 T265 L266 H267 H272 M273L245-L269 HydrophobicContact CD1-CD2 3.75Å; L245-L269 HydrophobicContact CD2-CD2 4.41Å; V254-L269 HydrophobicContact CG1-CD1 3.96Å; V254-L269 HydrophobicContact CG1-CD2 4.18Å; V254-L269 HydrophobicContact CG2-CD1 4.39Å; V254-L269 HydrophobicContact CG2-CD2 4.35Å; V254-L269 HydrophobicContact CG2-CG 4.4Å; I256-L269 HydrophobicContact CD1-CD1 4.07Å; I256-L269 HydrophobicContact CG1-CD1 4.39Å; T265-L269 WeakPolarHBondContact O-CB 3.47Å; T265-L269 PolarHBondContact O-N 3.31Å; L266-L269 HydrophobicContact CD1-CD2 4.33Å; L266-L269 PolarHBondContact O-N 3.45Å; H267-L269 VanDerWaalsContact C-N 3.35Å; L269-H272 PolarHBondContact O-N 2.94Å; L269-M273 VanDerWaalsContact O-CG 3.31Å; L269-M273 WeakPolarHBondContact O-CG 3.48Å; L269-M273 PolarHBondContact O-N 3.47Å
270I95.8Very high93.9Very high0 Ų056.6 Ų56.60%031%0.314CS..Hα-helixtrans-61.9-47.6177.2-68166.5000110.9L245 L266 H267 H272 M273 F274 L278 L283 I290 I317L245-I270 HydrophobicContact CD1-CG1 4.19Å; L245-I270 HydrophobicContact CD2-CG1 4.43Å; L266-I270 HydrophobicContact CD1-CD1 4.13Å; L266-I270 HydrophobicContact CD1-CG1 4.35Å; L266-I270 HydrophobicContact CD2-CD1 4.39Å; L266-I270 HydrophobicContact CG-CD1 3.78Å; L266-I270 HydrophobicContact CG-CG1 4.41Å; L266-I270 WeakPolarHBondContact O-CB 3.45Å; L266-I270 VanDerWaalsContact O-CG1 3.28Å; L266-I270 WeakPolarHBondContact O-CG1 3.25Å; L266-I270 PolarHBondContact O-N 3.27Å; H267-I270 PolarHBondContact O-N 2.84Å; I270-H272 VanDerWaalsContact C-N 3.3Å; I270-H272 PolarHBondContact O-N 2.91Å; I270-M273 PolarHBondContact O-N 3.03Å; I270-M273 VanDerWaalsContact O-N 3.14Å; I270-F274 HydrophobicContact CG2-CD2 4.16Å; I270-F274 WeakPolarHBondContact O-CD2 3.49Å; I270-F274 PolarHBondContact O-N 3.4Å; I270-L278 HydrophobicContact CG2-CD1 3.52Å; I270-L283 HydrophobicContact CB-CD1 4.07Å; I270-L283 HydrophobicContact CB-CD2 4.36Å; I270-L283 HydrophobicContact CD1-CD2 4.46Å; I270-L283 HydrophobicContact CG2-CD1 3.86Å; I270-L283 HydrophobicContact CG2-CD2 3.74Å; I270-L283 HydrophobicContact CG2-CG 4.44Å; I270-I290 HydrophobicContact CD1-CD1 3.92Å; I270-I317 HydrophobicContact CD1-CD1 4.25Å; I270-I317 HydrophobicContact CD1-CG1 3.92Å; I270-I317 HydrophobicContact CG1-CD1 4.39Å; I270-I317 HydrophobicContact CG1-CG1 4.45Å; I270-I317 HydrophobicContact CG2-CD1 4.21Å; I270-I317 HydrophobicContact CG2-CG1 3.94Å
271A95.9Very high94.2Very high17 Ų1758.2 Ų58.214%0.1434%0.335CS..Hα-helixtrans-61.8-37.8176.900000112.1H267 M273 F274 P275 L283H267-A271 VanDerWaalsContact O-CB 3.29Å; H267-A271 WeakPolarHBondContact O-CB 3.46Å; H267-A271 PolarHBondContact O-N 3.35Å; A271-M273 VanDerWaalsContact C-N 3.35Å; A271-F274 CarbonylContact O-C 3.53Å; A271-P275 VanDerWaalsContact O-CA 3.26Å; A271-P275 WeakPolarHBondContact O-CA 3.43Å; A271-L283 HydrophobicContact CB-CD1 3.9Å
272H94.9Very high94.5Very high145 Ų14555.3 Ų55.367%0.67131%0.311SS*.Hα-helixtrans-68.1-33.7174.9-173.268.1000112.7A268 L269 I270 P275A268-H272 VanDerWaalsContact O-CB 3.25Å; A268-H272 WeakPolarHBondContact O-CB 3.41Å; A268-H272 PolarHBondContact O-N 3.27Å; L269-H272 PolarHBondContact O-N 2.94Å; I270-H272 VanDerWaalsContact C-N 3.3Å; I270-H272 PolarHBondContact O-N 2.91Å; H272-P275 WeakPolarHBondContact O-CD 3.43Å
273M95.6Very high94.6Very high32 Ų3253.4 Ų53.416%0.15830%0.297CS..Hα-helixtrans-78.2-30.4177.3-67.9-49-62.100113.3L245 R252 V254 L269 I270 A271 P275L245-M273 HydrophobicContact CD1-CB 4.06Å; L245-M273 HydrophobicContact CD1-CG 3.91Å; R252-M273 HydrophobicContact CB-CE 4.12Å; R252-M273 WeakPolarHBondContact CD-O 3.37Å; R252-M273 PolarHBondContact NE-O 3.07Å; R252-M273 VanDerWaalsContact NE-O 3.12Å; R252-M273 PolarHBondContact NH1-O 2.95Å; V254-M273 HydrophobicContact CG2-CE 3.92Å; V254-M273 HydrophobicContact CG2-CG 3.46Å; V254-M273 VanDerWaalsContact CG2-CG 3.46Å; V254-M273 HydrophobicContact CG2-SD 3.45Å; V254-M273 WeakPolarHBondContact CG2-SD 3.47Å; L269-M273 VanDerWaalsContact O-CG 3.31Å; L269-M273 WeakPolarHBondContact O-CG 3.48Å; L269-M273 PolarHBondContact O-N 3.47Å; I270-M273 PolarHBondContact O-N 3.03Å; I270-M273 VanDerWaalsContact O-N 3.14Å; A271-M273 VanDerWaalsContact C-N 3.35Å; M273-P275 WeakPolarHBondContact O-CD 3.28Å
274F96.3Very high94.6Very high3 Ų355.8 Ų55.81%0.01331%0.305CS..SBendtrans-121.252.2180-59.1-83.5000113.3L245 F247 E250 R252 I270 A271 Q276 K277 L278 I317L245-F274 HydrophobicContact CB-CE2 3.74Å; L245-F274 HydrophobicContact CB-CZ 4.09Å; L245-F274 HydrophobicContact CD1-CE2 4.24Å; F247-F274 HydrophobicContact CB-CD1 4.28Å; F247-F274 HydrophobicContact CB-CE1 4.07Å; F247-F274 HydrophobicContact CB-CE2 4.46Å; F247-F274 HydrophobicContact CB-CZ 4.16Å; E250-F274 HydrophobicContact CB-CE1 4.16Å; E250-F274 HydrophobicContact CG-CD1 4.46Å; E250-F274 HydrophobicContact CG-CE1 3.93Å; R252-F274 HydrophobicContact CB-CE1 4.4Å; R252-F274 HydrophobicContact CB-CZ 4.05Å; R252-F274 HydrophobicContact CG-CE1 3.79Å; R252-F274 HydrophobicContact CG-CZ 3.96Å; I270-F274 HydrophobicContact CG2-CD2 4.16Å; I270-F274 WeakPolarHBondContact O-CD2 3.49Å; I270-F274 PolarHBondContact O-N 3.4Å; A271-F274 CarbonylContact O-C 3.53Å; F274-Q276 PolarHBondContact O-N 2.87Å; F274-K277 HydrophobicContact CB-CB 4.42Å; F274-K277 PolarHBondContact O-N 3.35Å; F274-L278 HydrophobicContact CB-CB 4.19Å; F274-L278 HydrophobicContact CB-CD1 4.06Å; F274-L278 HydrophobicContact CB-CG 4.22Å; F274-L278 HydrophobicContact CD2-CD1 4.1Å; F274-L278 HydrophobicContact CG-CD1 4.27Å; F274-L278 PolarHBondContact O-N 3.48Å; F274-I317 HydrophobicContact CE2-CD1 4.46Å
275P94.1Very high94.5Very high80 Ų8053.7 Ų53.752%0.51930%0.296SS..THydrogen-bonded Turntrans-68.7-13.3-163.929.2-37.1000114.9A271 H272 M273A271-P275 VanDerWaalsContact O-CA 3.26Å; A271-P275 WeakPolarHBondContact O-CA 3.43Å; H272-P275 WeakPolarHBondContact O-CD 3.43Å; M273-P275 WeakPolarHBondContact O-CD 3.28Å
276Q93.3Very high94.4Very high183 Ų18357 Ų5786%0.85532%0.318SS*.THydrogen-bonded Turntrans-100.1-2.6175.8-54.6-64.82.200113.2F274F274-Q276 PolarHBondContact O-N 2.87Å
277K92.1Very high94.3Very high100 Ų10060 Ų6044%0.43534%0.335SS..THydrogen-bonded Turntrans-128.2-28.6-175.4-70.9-174.9176.61750113.8F247 E250 F274 M282F247-K277 HydrophobicContact CD1-CB 4.06Å; F247-K277 HydrophobicContact CD1-CD 3.88Å; F247-K277 HydrophobicContact CE1-CB 3.89Å; F247-K277 HydrophobicContact CE1-CD 4.04Å; F247-K277 HydrophobicContact CE1-CG 4.45Å; E250-K277 WeakPolarHBondContact OE2-CD 3.31Å; E250-K277 VanDerWaalsContact OE2-CE 3.26Å; E250-K277 WeakPolarHBondContact OE2-CE 3.26Å; E250-K277 IonicContact OE2-NZ 3.16Å; E250-K277 PolarHBondContact OE2-NZ 2.92Å; F274-K277 HydrophobicContact CB-CB 4.42Å; F274-K277 PolarHBondContact O-N 3.35Å; K277-M282 WeakPolarHBondContact O-CE 3.4Å
278L94Very high94.3Very high3 Ų359.8 Ų59.82%0.01634%0.335CS..  trans-132.1131.2-177.5-66.1174.9000110.3F247 I270 F274 M282 L283 I317F247-L278 HydrophobicContact CB-CD1 4.27Å; F247-L278 HydrophobicContact CD1-CG 4.42Å; F247-L278 HydrophobicContact CD2-CD1 3.96Å; F247-L278 HydrophobicContact CD2-CD2 4.02Å; F247-L278 HydrophobicContact CD2-CG 4.28Å; F247-L278 HydrophobicContact CE1-CD2 4.41Å; F247-L278 HydrophobicContact CE1-CG 4.5Å; F247-L278 HydrophobicContact CE2-CD1 4.49Å; F247-L278 HydrophobicContact CE2-CD2 3.71Å; F247-L278 HydrophobicContact CE2-CG 4.37Å; F247-L278 HydrophobicContact CG-CD1 3.97Å; F247-L278 HydrophobicContact CG-CG 4.31Å; F247-L278 HydrophobicContact CZ-CD2 3.92Å; F247-L278 HydrophobicContact CZ-CG 4.47Å; I270-L278 HydrophobicContact CG2-CD1 3.52Å; F274-L278 HydrophobicContact CB-CB 4.19Å; F274-L278 HydrophobicContact CB-CD1 4.06Å; F274-L278 HydrophobicContact CB-CG 4.22Å; F274-L278 HydrophobicContact CD2-CD1 4.1Å; F274-L278 HydrophobicContact CG-CD1 4.27Å; F274-L278 PolarHBondContact O-N 3.48Å; L278-M282 HydrophobicContact CD2-CE 4.06Å; L278-L283 HydrophobicContact CB-CD1 4.41Å; L278-L283 HydrophobicContact CD1-CD2 4.49Å; L278-I317 HydrophobicContact CD1-CB 4.38Å; L278-I317 HydrophobicContact CD1-CG2 3.95Å; L278-I317 HydrophobicContact CD2-CG2 4.45Å
279T94.8Very high94.3Very high78 Ų7858.4 Ų58.448%0.47932%0.324SS..  trans-111.5158172.668.30000110.6G281 M282 L283T279-G281 PolarHBondContact O-N 3.11Å; T279-M282 HydrophobicContact CG2-SD 4.08Å; T279-M282 PolarHBondContact O-N 3.38Å; T279-M282 VanDerWaalsContact O-N 3.08Å; T279-M282 WeakPolarHBondContact OG1-CG 3.29Å; T279-M282 PolarHBondContact OG1-N 2.92Å; T279-M282 PolarHBondContact OG1-SD 2.77Å; T279-L283 PolarHBondContact O-N 3.46Å; T279-L283 VanDerWaalsContact O-N 3.09Å
280M95.6Very high94.4Very high68 Ų6856.9 Ų56.934%0.33532%0.316SS..Hα-helixtrans-54.3-39.7175.7178.859.168.900112.6H267 A268 M282 L283 K284H267-M280 HydrophobicContact CB-CE 3.9Å; H267-M280 HydrophobicContact CB-SD 3.7Å; A268-M280 HydrophobicContact CB-CE 3.87Å; M280-M282 VanDerWaalsContact C-N 3.35Å; M280-M282 PolarHBondContact O-N 2.89Å; M280-L283 PolarHBondContact O-N 2.76Å; M280-K284 HydrophobicContact CG-CD 4.14Å; M280-K284 PolarHBondContact O-N 2.86Å; M280-K284 HydrophobicContact SD-CD 3.93Å; M280-K284 VanDerWaalsContact SD-CE 3.5Å; M280-K284 HydrophobicContact SD-CG 4.14Å
281G94.2Very high94.4Very high55 Ų5559 Ų5957%0.56733%0.327SS*.Hα-helixtrans-67.2-32.3178.200000113.6T279 S285T279-G281 PolarHBondContact O-N 3.11Å; G281-S285 PolarHBondContact O-N 2.85Å
282M93.2Very high94.5Very high40 Ų4058.2 Ų58.220%0.19732%0.32CS..Hα-helixtrans-71.5-42.7174.2-69.7158.258.700111.6K277 L278 T279 M280 K284 S285 T288K277-M282 WeakPolarHBondContact O-CE 3.4Å; L278-M282 HydrophobicContact CD2-CE 4.06Å; T279-M282 HydrophobicContact CG2-SD 4.08Å; T279-M282 PolarHBondContact O-N 3.38Å; T279-M282 VanDerWaalsContact O-N 3.08Å; T279-M282 WeakPolarHBondContact OG1-CG 3.29Å; T279-M282 PolarHBondContact OG1-N 2.92Å; T279-M282 PolarHBondContact OG1-SD 2.77Å; M280-M282 VanDerWaalsContact C-N 3.35Å; M280-M282 PolarHBondContact O-N 2.89Å; M282-K284 VanDerWaalsContact C-N 3.34Å; M282-K284 PolarHBondContact O-N 2.89Å; M282-S285 WeakPolarHBondContact O-CB 3.39Å; M282-S285 PolarHBondContact O-N 3.12Å; M282-S285 VanDerWaalsContact O-N 3.08Å; M282-S285 PolarHBondContact O-OG 2.97Å; M282-T288 WeakPolarHBondContact O-CB 3.43Å; M282-T288 PolarHBondContact O-OG1 3.19Å
283L94.8Very high94.6Very high6 Ų653.8 Ų53.83%0.03130%0.299CS..Hα-helixtrans-65.7-35.4179-72.7158.6000112.5H267 I270 A271 L278 T279 M280 S285 T288 I290 I317H267-L283 HydrophobicContact CB-CB 4.21Å; H267-L283 HydrophobicContact CB-CD1 4.43Å; H267-L283 WeakPolarHBondContact O-CD1 3.37Å; I270-L283 HydrophobicContact CB-CD1 4.07Å; I270-L283 HydrophobicContact CB-CD2 4.36Å; I270-L283 HydrophobicContact CD1-CD2 4.46Å; I270-L283 HydrophobicContact CG2-CD1 3.86Å; I270-L283 HydrophobicContact CG2-CD2 3.74Å; I270-L283 HydrophobicContact CG2-CG 4.44Å; A271-L283 HydrophobicContact CB-CD1 3.9Å; L278-L283 HydrophobicContact CB-CD1 4.41Å; L278-L283 HydrophobicContact CD1-CD2 4.49Å; T279-L283 PolarHBondContact O-N 3.46Å; T279-L283 VanDerWaalsContact O-N 3.09Å; M280-L283 PolarHBondContact O-N 2.76Å; L283-S285 VanDerWaalsContact C-N 3.25Å; L283-S285 PolarHBondContact O-N 3.32Å; L283-T288 HydrophobicContact CD2-CG2 4.08Å; L283-I290 HydrophobicContact CD2-CD1 4.48Å; L283-I317 HydrophobicContact CD2-CG2 4.2Å
284K93.9Very high94.7Very high113 Ų11353.8 Ų53.849%0.49130%0.3SS..THydrogen-bonded Turntrans-78.71.2172.3-72.6175173.1-81.50114.3D264 M280 M282D264-K284 VanDerWaalsContact OD1-CE 3.25Å; D264-K284 WeakPolarHBondContact OD1-CE 3.37Å; D264-K284 IonicContact OD1-NZ 2.79Å; D264-K284 PolarHBondContact OD1-NZ 3.27Å; D264-K284 IonicContact OD2-NZ 2.64Å; D264-K284 PolarHBondContact OD2-NZ 2.83Å; M280-K284 HydrophobicContact CG-CD 4.14Å; M280-K284 PolarHBondContact O-N 2.86Å; M280-K284 HydrophobicContact SD-CD 3.93Å; M280-K284 VanDerWaalsContact SD-CE 3.5Å; M280-K284 HydrophobicContact SD-CG 4.14Å; M282-K284 VanDerWaalsContact C-N 3.34Å; M282-K284 PolarHBondContact O-N 2.89Å
285S92.6Very high94.6Very high31 Ų3161.2 Ų61.222%0.21733%0.334CS..SBendtrans-94.1144178.877.90000111.4G281 M282 L283 N287 T288G281-S285 PolarHBondContact O-N 2.85Å; M282-S285 WeakPolarHBondContact O-CB 3.39Å; M282-S285 PolarHBondContact O-N 3.12Å; M282-S285 VanDerWaalsContact O-N 3.08Å; M282-S285 PolarHBondContact O-OG 2.97Å; L283-S285 VanDerWaalsContact C-N 3.25Å; L283-S285 PolarHBondContact O-N 3.32Å; S285-N287 PolarHBondContact O-N 3.44Å; S285-T288 PolarHBondContact O-N 2.91Å
286P91.3Very high94.6Very high132 Ų13262 Ų6286%0.85735%0.347SS*.THydrogen-bonded Turntrans-67.73.1178.330.4-37.4000114
287N92.4Very high94.7Very high64 Ų6462.7 Ų62.734%0.34234%0.342SS..THydrogen-bonded Turntrans-88.3-2.3170.2-64.7-42.6000112.5S285 R319 K320S285-N287 PolarHBondContact O-N 3.44Å; N287-R319 CarbonylContact O-C 3.54Å; N287-R319 WeakPolarHBondContact O-CA 3.27Å; N287-K320 PolarHBondContact O-N 2.86Å
288T94.6Very high94.9Very high15 Ų1562.9 Ų62.99%0.09235%0.348CS..EExtended strand (participates in β ladder)trans-118.2119.9175.5-52.90000109.8M282 L283 S285 I317 Y318M282-T288 WeakPolarHBondContact O-CB 3.43Å; M282-T288 PolarHBondContact O-OG1 3.19Å; L283-T288 HydrophobicContact CD2-CG2 4.08Å; S285-T288 PolarHBondContact O-N 2.91Å; T288-I317 HydrophobicContact CG2-CG2 3.68Å; T288-Y318 CarbonylContact C-O 3.6Å; T288-Y318 WeakPolarHBondContact CA-O 3.39Å
289A95.4Very high95Very high19 Ų1966.9 Ų66.916%0.15737%0.372CS..EExtended strand (participates in β ladder)trans-102.7138.9172.700000109.5L291 Y318A289-L291 HydrophobicContact CB-CD2 4.48Å; A289-Y318 PolarHBondContact N-O 3.33Å; A289-Y318 PolarHBondContact O-N 3.32Å
290I96.8Very high95.2Very high11 Ų1166 Ų666%0.05636%0.362CS..EExtended strand (participates in β ladder)trans-108.9113.4176.4-62.3180000107.3L266 H267 I270 L283 L303 I315L266-I290 HydrophobicContact CD2-CD1 4.44Å; L266-I290 HydrophobicContact CD2-CG2 4.15Å; H267-I290 WeakPolarHBondContact NE2-CD1 3.47Å; I270-I290 HydrophobicContact CD1-CD1 3.92Å; L283-I290 HydrophobicContact CD2-CD1 4.48Å; I290-L303 HydrophobicContact CG2-CB 4.19Å; I290-L303 HydrophobicContact CG2-CD2 3.91Å; I290-L303 WeakPolarHBondContact O-CB 3.27Å; I290-L303 PolarHBondContact O-N 3.41Å; I290-I315 HydrophobicContact CG2-CG2 3.52Å
291L97.3Very high95.3Very high44 Ų4466.9 Ų66.923%0.2336%0.362CS..EExtended strand (participates in β ladder)trans-106.4128.8-175.2-54.2176.4000110.2A289 F300 Y301 E302 I315 K316A289-L291 HydrophobicContact CB-CD2 4.48Å; L291-F300 HydrophobicContact CB-CB 4.32Å; L291-F300 HydrophobicContact CB-CD1 4.3Å; L291-Y301 CarbonylContact C-O 3.44Å; L291-Y301 WeakPolarHBondContact CA-O 3.49Å; L291-E302 HydrophobicContact CD2-CB 4.1Å; L291-I315 CarbonylContact O-C 3.54Å; L291-I315 VanDerWaalsContact O-CA 3.28Å; L291-I315 WeakPolarHBondContact O-CA 3.36Å; L291-K316 HydrophobicContact CB-CB 4.27Å; L291-K316 PolarHBondContact N-O 2.95Å; L291-K316 PolarHBondContact O-N 2.92Å
292I97.5Very high95.4Very high1 Ų169.7 Ų69.71%0.00536%0.36CS..EExtended strand (participates in β ladder)trans-104.4145.8172.7-173.9163.3000110.1F300 Y301 L303 D308 I315I292-F300 WeakPolarHBondContact O-CA 3.35Å; I292-Y301 HydrophobicContact CG2-CD1 4.13Å; I292-Y301 HydrophobicContact CG2-CD2 3.94Å; I292-Y301 HydrophobicContact CG2-CE1 3.69Å; I292-Y301 HydrophobicContact CG2-CE2 3.49Å; I292-Y301 VanDerWaalsContact CG2-CE2 3.49Å; I292-Y301 HydrophobicContact CG2-CG 4.25Å; I292-Y301 PolarHBondContact N-O 2.94Å; I292-Y301 WeakPolarHBondContact O-CD1 3.49Å; I292-Y301 PolarHBondContact O-N 3.41Å; I292-L303 HydrophobicContact CB-CB 4.43Å; I292-L303 HydrophobicContact CB-CD1 4.06Å; I292-L303 HydrophobicContact CD1-CD1 3.95Å; I292-L303 HydrophobicContact CG2-CB 4.13Å; I292-L303 HydrophobicContact CG2-CD1 3.73Å; I292-D308 HydrophobicContact CD1-CB 4.33Å; I292-D308 WeakPolarHBondContact CD1-O 3.48Å; I292-I315 HydrophobicContact CG1-CG1 4.45Å
293K97.7Very high95.5Very high51 Ų5168.2 Ų68.222%0.22235%0.353CS..EExtended strand (participates in β ladder)trans-84.5123175.4-163.3-161167.2-1640111.2E295 N298 F300 I314K293-E295 PolarHBondContact O-N 3.42Å; K293-N298 VanDerWaalsContact CE-OD1 3.27Å; K293-N298 WeakPolarHBondContact CE-OD1 3.14Å; K293-N298 PolarHBondContact NZ-OD1 2.97Å; K293-F300 HydrophobicContact CB-CD1 3.97Å; K293-F300 HydrophobicContact CB-CE1 3.62Å; K293-F300 HydrophobicContact CB-CE2 4.28Å; K293-F300 HydrophobicContact CB-CG 4.45Å; K293-F300 HydrophobicContact CB-CZ 3.79Å; K293-F300 HydrophobicContact CD-CE2 4.37Å; K293-F300 HydrophobicContact CD-CZ 4.27Å; K293-F300 HydrophobicContact CG-CD1 4.5Å; K293-F300 HydrophobicContact CG-CD2 4.26Å; K293-F300 HydrophobicContact CG-CE1 4.18Å; K293-F300 HydrophobicContact CG-CE2 3.91Å; K293-F300 HydrophobicContact CG-CZ 3.87Å; K293-I314 HydrophobicContact CB-CB 4.13Å; K293-I314 HydrophobicContact CD-CD1 4.26Å; K293-I314 PolarHBondContact N-O 3.48Å
294D96.6Very high95.4Very high33 Ų3376.4 Ų76.418%0.17639%0.391CS..  trans-71117.2157.7-173.5-31000108.6A296 R297 N298 V299 Y301D294-A296 WeakPolarHBondContact OD1-CA 3.19Å; D294-A296 WeakPolarHBondContact OD1-CB 3.41Å; D294-A296 PolarHBondContact OD1-N 3.35Å; D294-R297 HydrophobicContact CB-CB 4.16Å; D294-R297 PolarHBondContact OD1-N 3.45Å; D294-R297 WeakPolarHBondContact OD2-CB 3.45Å; D294-R297 WeakPolarHBondContact OD2-CD 3.17Å; D294-R297 WeakPolarHBondContact OD2-CG 3.39Å; D294-R297 IonicContact OD2-NE 3.65Å; D294-N298 WeakPolarHBondContact O-CA 3.22Å; D294-N298 PolarHBondContact O-N 3.49Å; D294-V299 WeakPolarHBondContact CB-O 3.43Å; D294-V299 PolarHBondContact N-O 3.49Å; D294-Y301 HydrophobicContact CB-CD1 4.04Å; D294-Y301 HydrophobicContact CB-CE1 3.82Å
295E94Very high95.4Very high159 Ų15973.2 Ų73.274%0.74338%0.38SS*.THydrogen-bonded Turntrans-75.6-32.5178.2-173.6166.1-159.400112.8K293 N298K293-E295 PolarHBondContact O-N 3.42Å; E295-N298 PolarHBondContact O-ND2 3.33Å
296A94.6Very high95.4Very high95 Ų9573 Ų7379%0.78538%0.377SS*.THydrogen-bonded Turntrans-73.9-39.4-18000000111.9D294D294-A296 WeakPolarHBondContact OD1-CA 3.19Å; D294-A296 WeakPolarHBondContact OD1-CB 3.41Å; D294-A296 PolarHBondContact OD1-N 3.35Å
297R95.5Very high95.4Very high199 Ų19976.3 Ų76.375%0.75137%0.372SS*.THydrogen-bonded Turntrans-92.3-13.7177.1-59-178.6-173.7154.8-0.5113.8D294 V299D294-R297 HydrophobicContact CB-CB 4.16Å; D294-R297 PolarHBondContact OD1-N 3.45Å; D294-R297 WeakPolarHBondContact OD2-CB 3.45Å; D294-R297 WeakPolarHBondContact OD2-CD 3.17Å; D294-R297 WeakPolarHBondContact OD2-CG 3.39Å; D294-R297 IonicContact OD2-NE 3.65Å; R297-V299 PolarHBondContact O-N 3.47Å
298N95.8Very high95.4Very high103 Ų10376.1 Ų76.155%0.55137%0.371SS*.  trans58.518.9-173.5-75.4-83.7000115.6K293 D294 E295K293-N298 VanDerWaalsContact CE-OD1 3.27Å; K293-N298 WeakPolarHBondContact CE-OD1 3.14Å; K293-N298 PolarHBondContact NZ-OD1 2.97Å; D294-N298 WeakPolarHBondContact O-CA 3.22Å; D294-N298 PolarHBondContact O-N 3.49Å; E295-N298 PolarHBondContact O-ND2 3.33Å
299V97.3Very high95.3Very high88 Ų8876.7 Ų76.753%0.53337%0.374SS..  trans-102.5147.8179.8172.90000110.4D294 R297D294-V299 WeakPolarHBondContact CB-O 3.43Å; D294-V299 PolarHBondContact N-O 3.49Å; R297-V299 PolarHBondContact O-N 3.47Å
300F97.8Very high95.2Very high60 Ų6082.4 Ų82.426%0.26340%0.397SS..EExtended strand (participates in β ladder)trans-92.2129.9168.4-76-94.7000109.9L291 I292 K293 I314 K316L291-F300 HydrophobicContact CB-CB 4.32Å; L291-F300 HydrophobicContact CB-CD1 4.3Å; I292-F300 WeakPolarHBondContact O-CA 3.35Å; K293-F300 HydrophobicContact CB-CD1 3.97Å; K293-F300 HydrophobicContact CB-CE1 3.62Å; K293-F300 HydrophobicContact CB-CE2 4.28Å; K293-F300 HydrophobicContact CB-CG 4.45Å; K293-F300 HydrophobicContact CB-CZ 3.79Å; K293-F300 HydrophobicContact CD-CE2 4.37Å; K293-F300 HydrophobicContact CD-CZ 4.27Å; K293-F300 HydrophobicContact CG-CD1 4.5Å; K293-F300 HydrophobicContact CG-CD2 4.26Å; K293-F300 HydrophobicContact CG-CE1 4.18Å; K293-F300 HydrophobicContact CG-CE2 3.91Å; K293-F300 HydrophobicContact CG-CZ 3.87Å; F300-I314 HydrophobicContact CE1-CG2 4.18Å; F300-I314 HydrophobicContact CZ-CG2 4.15Å; F300-K316 HydrophobicContact CD1-CB 4.29Å; F300-K316 HydrophobicContact CD1-CD 3.88Å; F300-K316 HydrophobicContact CD1-CG 4.2Å; F300-K316 HydrophobicContact CD2-CD 4.43Å; F300-K316 HydrophobicContact CE1-CB 4.18Å; F300-K316 HydrophobicContact CE1-CD 3.55Å; F300-K316 HydrophobicContact CE1-CG 3.68Å; F300-K316 HydrophobicContact CE2-CD 4.15Å; F300-K316 HydrophobicContact CG-CD 4.31Å; F300-K316 HydrophobicContact CZ-CD 3.7Å; F300-K316 VanDerWaalsContact CZ-CE 3.48Å; F300-K316 HydrophobicContact CZ-CG 4.16Å
301Y97.6Very high94.9Very high85 Ų8585.2 Ų85.233%0.33341%0.412SS..EExtended strand (participates in β ladder)trans-125.8162.7175.965.5-83.1000110.5L291 I292 D294 D308L291-Y301 CarbonylContact C-O 3.44Å; L291-Y301 WeakPolarHBondContact CA-O 3.49Å; I292-Y301 HydrophobicContact CG2-CD1 4.13Å; I292-Y301 HydrophobicContact CG2-CD2 3.94Å; I292-Y301 HydrophobicContact CG2-CE1 3.69Å; I292-Y301 HydrophobicContact CG2-CE2 3.49Å; I292-Y301 VanDerWaalsContact CG2-CE2 3.49Å; I292-Y301 HydrophobicContact CG2-CG 4.25Å; I292-Y301 PolarHBondContact N-O 2.94Å; I292-Y301 WeakPolarHBondContact O-CD1 3.49Å; I292-Y301 PolarHBondContact O-N 3.41Å; D294-Y301 HydrophobicContact CB-CD1 4.04Å; D294-Y301 HydrophobicContact CB-CE1 3.82Å; Y301-D308 PolarHBondContact OH-OD2 3.08Å
302E96.4Very high94.7Very high114 Ų11491.4 Ų91.453%0.53343%0.432SS..EExtended strand (participates in β ladder)trans-76.4135.1-179-170.3155.1-162.400111.6L291 E304L291-E302 HydrophobicContact CD2-CB 4.1Å; E302-E304 PolarHBondContact O-N 3.08Å; E302-E304 VanDerWaalsContact O-N 3.12Å
303L96Very high94.6Very high9 Ų992.1 Ų92.15%0.04744%0.438CS..  trans-84.384-172.7-177.369.2000110.7L266 I290 I292 D305 D308 I309L266-L303 HydrophobicContact CD2-CD2 3.49Å; L266-L303 VanDerWaalsContact CD2-CD2 3.49Å; I290-L303 HydrophobicContact CG2-CB 4.19Å; I290-L303 HydrophobicContact CG2-CD2 3.91Å; I290-L303 WeakPolarHBondContact O-CB 3.27Å; I290-L303 PolarHBondContact O-N 3.41Å; I292-L303 HydrophobicContact CB-CB 4.43Å; I292-L303 HydrophobicContact CB-CD1 4.06Å; I292-L303 HydrophobicContact CD1-CD1 3.95Å; I292-L303 HydrophobicContact CG2-CB 4.13Å; I292-L303 HydrophobicContact CG2-CD1 3.73Å; L303-D305 VanDerWaalsContact CD1-O 3.22Å; L303-D305 WeakPolarHBondContact CD1-O 3.38Å; L303-D308 HydrophobicContact CD1-CB 4.07Å; L303-I309 HydrophobicContact CD1-CG1 4.18Å; L303-I309 HydrophobicContact CD2-CD1 4.09Å; L303-I309 HydrophobicContact CD2-CG1 4.08Å
304E93.5Very high94.5Very high178 Ų17892.7 Ų92.783%0.83244%0.443SS*.  trans-72.4-37.9174.6-62.5-176.1176.800112.3E302E302-E304 PolarHBondContact O-N 3.08Å; E302-E304 VanDerWaalsContact O-N 3.12Å
305D92.5Very high94.6Very high47 Ų4791.1 Ų91.125%0.25143%0.434SS..  trans-121.1128-174.5-164.8-27.7000112.2L303 R307 D308L303-D305 VanDerWaalsContact CD1-O 3.22Å; L303-D305 WeakPolarHBondContact CD1-O 3.38Å; D305-R307 PolarHBondContact O-N 3.36Å; D305-R307 VanDerWaalsContact OD1-CB 3.32Å; D305-R307 WeakPolarHBondContact OD1-CB 3.49Å; D305-R307 VanDerWaalsContact OD1-CG 3.27Å; D305-R307 WeakPolarHBondContact OD1-CG 3.21Å; D305-R307 PolarHBondContact OD1-N 3.32Å; D305-R307 IonicContact OD1-NE 2.71Å; D305-R307 PolarHBondContact OD1-NE 3.25Å; D305-R307 IonicContact OD2-CZ 3.76Å; D305-R307 IonicContact OD2-NE 3.61Å; D305-R307 PolarHBondContact OD2-NE 3.04Å; D305-R307 IonicContact OD2-NH2 2.87Å; D305-R307 PolarHBondContact OD2-NH2 3Å; D305-D308 PolarHBondContact O-N 3.04Å
306V92.8Very high94.7Very high25 Ų2587 Ų8715%0.15241%0.414CS..G310 helixtrans-67.9-15.2177.2-63.30000114V260 L263 D308 I309V260-V306 WeakPolarHBondContact O-CB 3.49Å; V260-V306 WeakPolarHBondContact O-CG2 3.36Å; L263-V306 HydrophobicContact CD2-CG1 4.16Å; L263-V306 HydrophobicContact CG-CG1 3.93Å; V306-D308 PolarHBondContact O-N 2.97Å; V306-I309 HydrophobicContact CB-CD1 3.95Å; V306-I309 HydrophobicContact CG1-CD1 4.16Å; V306-I309 VanDerWaalsContact O-CB 3.31Å; V306-I309 WeakPolarHBondContact O-CB 3.3Å; V306-I309 VanDerWaalsContact O-CG1 3.3Å; V306-I309 WeakPolarHBondContact O-CG1 3.49Å; V306-I309 PolarHBondContact O-N 3.32Å; V306-I309 VanDerWaalsContact O-N 3.15Å
307R91.9Very high94.9Very high202 Ų20282.8 Ų82.876%0.76238%0.378SS*.G310 helixtrans-66.5-18.2175.2-65.4-179.1-65.1165.43.6113.1D305 I309D305-R307 PolarHBondContact O-N 3.36Å; D305-R307 VanDerWaalsContact OD1-CB 3.32Å; D305-R307 WeakPolarHBondContact OD1-CB 3.49Å; D305-R307 VanDerWaalsContact OD1-CG 3.27Å; D305-R307 WeakPolarHBondContact OD1-CG 3.21Å; D305-R307 PolarHBondContact OD1-N 3.32Å; D305-R307 IonicContact OD1-NE 2.71Å; D305-R307 PolarHBondContact OD1-NE 3.25Å; D305-R307 IonicContact OD2-CZ 3.76Å; D305-R307 IonicContact OD2-NE 3.61Å; D305-R307 PolarHBondContact OD2-NE 3.04Å; D305-R307 IonicContact OD2-NH2 2.87Å; D305-R307 PolarHBondContact OD2-NH2 3Å; R307-I309 PolarHBondContact O-N 3.4Å
308D92.6Very high94.9Very high60 Ų6079.8 Ų79.832%0.32137%0.368SS..G310 helixtrans-77-10.4174.7-65-19.1000112.8I292 Y301 L303 D305 V306 Q310I292-D308 HydrophobicContact CD1-CB 4.33Å; I292-D308 WeakPolarHBondContact CD1-O 3.48Å; Y301-D308 PolarHBondContact OH-OD2 3.08Å; L303-D308 HydrophobicContact CD1-CB 4.07Å; D305-D308 PolarHBondContact O-N 3.04Å; V306-D308 PolarHBondContact O-N 2.97Å; D308-Q310 PolarHBondContact O-N 2.98Å
309I92.6Very high94.7Very high28 Ų2878.3 Ų78.314%0.14435%0.354CS..  trans-77.4106.7178.6-54170.8000109.9L243 V260 L266 L303 V306 R307L243-I309 HydrophobicContact CD1-CG2 3.79Å; L243-I309 HydrophobicContact CD2-CG2 3.77Å; L243-I309 HydrophobicContact CG-CG2 4.41Å; V260-I309 HydrophobicContact CB-CD1 3.94Å; V260-I309 HydrophobicContact CG1-CD1 3.77Å; V260-I309 HydrophobicContact CG2-CG2 4.48Å; L266-I309 HydrophobicContact CD1-CD1 4.45Å; L266-I309 HydrophobicContact CD2-CD1 4.06Å; L303-I309 HydrophobicContact CD1-CG1 4.18Å; L303-I309 HydrophobicContact CD2-CD1 4.09Å; L303-I309 HydrophobicContact CD2-CG1 4.08Å; V306-I309 HydrophobicContact CB-CD1 3.95Å; V306-I309 HydrophobicContact CG1-CD1 4.16Å; V306-I309 VanDerWaalsContact O-CB 3.31Å; V306-I309 WeakPolarHBondContact O-CB 3.3Å; V306-I309 VanDerWaalsContact O-CG1 3.3Å; V306-I309 WeakPolarHBondContact O-CG1 3.49Å; V306-I309 PolarHBondContact O-N 3.32Å; V306-I309 VanDerWaalsContact O-N 3.15Å; R307-I309 PolarHBondContact O-N 3.4Å
310Q91.9Very high94.2Very high139 Ų13980.6 Ų80.665%0.6536%0.357SS*.  trans-111.8179.2-178.9-59.4-173.83500111.9L243 D308 R312 S313L243-Q310 WeakPolarHBondContact CD2-O 3.47Å; D308-Q310 PolarHBondContact O-N 2.98Å; Q310-R312 PolarHBondContact O-N 3.09Å; Q310-S313 PolarHBondContact N-OG 3.29Å; Q310-S313 PolarHBondContact O-N 3.4Å; Q310-S313 PolarHBondContact O-OG 3.45Å
311D91.1Very high93.1Very high70 Ų7082.6 Ų82.637%0.37437%0.367SS..THydrogen-bonded Turntrans-61.5136.7168.8-174.945.2000109.8G241 V242 S313G241-D311 WeakPolarHBondContact CA-OD1 3.39Å; V242-D311 PolarHBondContact N-OD1 3.48Å; D311-S313 PolarHBondContact O-N 3.37Å
312R93Very high91.1Very high173 Ų17380.6 Ų80.665%0.65337%0.365SS*.THydrogen-bonded Turntrans65.88.1-179-56.8148-166.7-116.4-2.1115.9V242 F244 Q310 I314V242-R312 WeakPolarHBondContact O-CA 3.43Å; V242-R312 PolarHBondContact O-N 3.16Å; F244-R312 HydrophobicContact CE2-CB 4.13Å; F244-R312 HydrophobicContact CE2-CG 4.3Å; Q310-R312 PolarHBondContact O-N 3.09Å; R312-I314 PolarHBondContact O-N 2.9Å
313S95Very high89.1Confident17 Ų1782.9 Ų82.912%0.11938%0.38CS..  trans-52.6132174.2-68.20000111.7F244 Q310 D311F244-S313 PolarHBondContact N-O 3.16Å; F244-S313 VanDerWaalsContact N-O 3.14Å; Q310-S313 PolarHBondContact N-OG 3.29Å; Q310-S313 PolarHBondContact O-N 3.4Å; Q310-S313 PolarHBondContact O-OG 3.45Å; D311-S313 PolarHBondContact O-N 3.37Å
314I96.8Very high86.9Confident63 Ų6393.6 Ų93.632%0.32342%0.421SS..EExtended strand (participates in β ladder)trans-97.8116.5177.8-55.4175.9000107.7F244 K293 F300 R312F244-I314 HydrophobicContact CB-CG1 4.28Å; F244-I314 HydrophobicContact CD2-CG1 4.48Å; K293-I314 HydrophobicContact CB-CB 4.13Å; K293-I314 HydrophobicContact CD-CD1 4.26Å; K293-I314 PolarHBondContact N-O 3.48Å; F300-I314 HydrophobicContact CE1-CG2 4.18Å; F300-I314 HydrophobicContact CZ-CG2 4.15Å; R312-I314 PolarHBondContact O-N 2.9Å
315I97.4Very high84.6Confident0 Ų088 Ų880%041%0.406CS..EExtended strand (participates in β ladder)trans-114.6119.7-177.7-58.6178.8000108.9L243 F244 L245 Q246 L266 I290 L291 I292 I317L243-I315 HydrophobicContact CD1-CD1 4.1Å; F244-I315 PolarHBondContact O-N 3.34Å; L245-I315 CarbonylContact C-O 3.47Å; L245-I315 WeakPolarHBondContact CA-O 3.28Å; L245-I315 HydrophobicContact CD2-CB 4.12Å; L245-I315 HydrophobicContact CD2-CD1 4.34Å; Q246-I315 PolarHBondContact N-O 3.18Å; L266-I315 HydrophobicContact CD1-CD1 4.18Å; I290-I315 HydrophobicContact CG2-CG2 3.52Å; L291-I315 CarbonylContact O-C 3.54Å; L291-I315 VanDerWaalsContact O-CA 3.28Å; L291-I315 WeakPolarHBondContact O-CA 3.36Å; I292-I315 HydrophobicContact CG1-CG1 4.45Å; I315-I317 HydrophobicContact CG2-CD1 4.45Å
316K97.6Very high82.1Confident71 Ų7189.9 Ų89.931%0.30943%0.428SS..EExtended strand (participates in β ladder)trans-97.1126.6170.9-80.9177.6179.3169.60109.8Q246 L291 F300Q246-K316 HydrophobicContact CB-CG 4.08Å; Q246-K316 HydrophobicContact CG-CG 4.39Å; Q246-K316 WeakPolarHBondContact O-CA 3.45Å; L291-K316 HydrophobicContact CB-CB 4.27Å; L291-K316 PolarHBondContact N-O 2.95Å; L291-K316 PolarHBondContact O-N 2.92Å; F300-K316 HydrophobicContact CD1-CB 4.29Å; F300-K316 HydrophobicContact CD1-CD 3.88Å; F300-K316 HydrophobicContact CD1-CG 4.2Å; F300-K316 HydrophobicContact CD2-CD 4.43Å; F300-K316 HydrophobicContact CE1-CB 4.18Å; F300-K316 HydrophobicContact CE1-CD 3.55Å; F300-K316 HydrophobicContact CE1-CG 3.68Å; F300-K316 HydrophobicContact CE2-CD 4.15Å; F300-K316 HydrophobicContact CG-CD 4.31Å; F300-K316 HydrophobicContact CZ-CD 3.7Å; F300-K316 VanDerWaalsContact CZ-CE 3.48Å; F300-K316 HydrophobicContact CZ-CG 4.16Å
317I97.3Very high79.4Confident7 Ų795.9 Ų95.94%0.03645%0.452CS..EExtended strand (participates in β ladder)trans-94.1116170.7-57.384.3000107.1L245 Q246 F247 I270 F274 L278 L283 T288 I315L245-I317 HydrophobicContact CB-CD1 4.28Å; Q246-I317 WeakPolarHBondContact O-CD1 3.35Å; Q246-I317 PolarHBondContact O-N 2.96Å; F247-I317 HydrophobicContact CD2-CB 4.02Å; F247-I317 HydrophobicContact CD2-CG2 4.01Å; F247-I317 WeakPolarHBondContact CD2-O 3.46Å; I270-I317 HydrophobicContact CD1-CD1 4.25Å; I270-I317 HydrophobicContact CD1-CG1 3.92Å; I270-I317 HydrophobicContact CG1-CD1 4.39Å; I270-I317 HydrophobicContact CG1-CG1 4.45Å; I270-I317 HydrophobicContact CG2-CD1 4.21Å; I270-I317 HydrophobicContact CG2-CG1 3.94Å; F274-I317 HydrophobicContact CE2-CD1 4.46Å; L278-I317 HydrophobicContact CD1-CB 4.38Å; L278-I317 HydrophobicContact CD1-CG2 3.95Å; L278-I317 HydrophobicContact CD2-CG2 4.45Å; L283-I317 HydrophobicContact CD2-CG2 4.2Å; T288-I317 HydrophobicContact CG2-CG2 3.68Å; I315-I317 HydrophobicContact CG2-CD1 4.45Å
318Y96Very high77.3Confident136 Ų13692.3 Ų92.353%0.53346%0.455SS..EExtended strand (participates in β ladder)trans-106.3131.3174177.1-102.5000109.6T288 A289 K320T288-Y318 CarbonylContact C-O 3.6Å; T288-Y318 WeakPolarHBondContact CA-O 3.39Å; A289-Y318 PolarHBondContact N-O 3.33Å; A289-Y318 PolarHBondContact O-N 3.32Å; Y318-K320 HydrophobicContact CE1-CB 3.91Å
319R92.6Very high75.3Confident73 Ų7392.2 Ų92.228%0.27547%0.468SS..EExtended strand (participates in β ladder)trans-111.3118.1170.7-171.2-178.7-177.8-129.96.9108.6F247 N287 E321F247-R319 HydrophobicContact CE2-CB 4.26Å; N287-R319 CarbonylContact O-C 3.54Å; N287-R319 WeakPolarHBondContact O-CA 3.27Å; R319-E321 IonicContact CZ-OE1 2.86Å; R319-E321 IonicContact CZ-OE2 3.23Å; R319-E321 IonicContact NH1-OE1 2.65Å; R319-E321 PolarHBondContact NH1-OE1 3.44Å; R319-E321 IonicContact NH1-OE2 2.76Å; R319-E321 PolarHBondContact NH1-OE2 3.41Å; R319-E321 PolarHBondContact O-N 3.37Å; R319-E321 VanDerWaalsContact O-N 3.16Å
320K86.4Confident72.8Confident136 Ų13695.5 Ų95.559%0.59149%0.493SS*.  trans-72.8101.4167.2-171.4177.4-176.7178.20107.2N287 Y318 P322N287-K320 PolarHBondContact O-N 2.86Å; Y318-K320 HydrophobicContact CE1-CB 3.91Å; K320-P322 WeakPolarHBondContact O-CD 3.43Å
321E73.4Confident70.5Confident101 Ų10194.7 Ų94.747%0.47249%0.49SS..  trans-60122.5-177.7-157.460.9-14200109.7R319 L323R319-E321 IonicContact CZ-OE1 2.86Å; R319-E321 IonicContact CZ-OE2 3.23Å; R319-E321 IonicContact NH1-OE1 2.65Å; R319-E321 PolarHBondContact NH1-OE1 3.44Å; R319-E321 IonicContact NH1-OE2 2.76Å; R319-E321 PolarHBondContact NH1-OE2 3.41Å; R319-E321 PolarHBondContact O-N 3.37Å; R319-E321 VanDerWaalsContact O-N 3.16Å; E321-L323 PolarHBondContact O-N 3.48Å
322P56.9Low68.5Low44 Ų4497.5 Ų97.529%0.28650%0.504SS..  trans-71.3102.417527.4-30.7000108K320 Y324 A325K320-P322 WeakPolarHBondContact O-CD 3.43Å; P322-Y324 PolarHBondContact O-N 2.88Å; P322-A325 HydrophobicContact CB-CB 4.41Å; P322-A325 HydrophobicContact CG-CB 3.91Å; P322-A325 PolarHBondContact O-N 2.65Å
323L52.8Low66.2Low161 Ų16193.7 Ų93.784%0.84350%0.5SS*.THydrogen-bonded Turntrans-589.8-167.9-65.2171.4000117.1E321E321-L323 PolarHBondContact O-N 3.48Å
324Y50.2Low63.9Low234 Ų234101.1 Ų101.192%0.91854%0.538SS*.THydrogen-bonded Turntrans-131.5-0.9178.7-80.9-85.9000114.1P322 A326P322-Y324 PolarHBondContact O-N 2.88Å; Y324-A326 PolarHBondContact O-N 2.88Å
325A45.5Very low61.7Low62 Ų62101 Ų10151%0.51255%0.553SS.*SBendtrans-93.899.4-177.300000112.4P322P322-A325 HydrophobicContact CB-CB 4.41Å; P322-A325 HydrophobicContact CG-CB 3.91Å; P322-A325 PolarHBondContact O-N 2.65Å
326A40.2Very low59.6Low86 Ų86105.3 Ų105.371%0.71158%0.576SS**  trans64.584.5164.300000117.8Y324Y324-A326 PolarHBondContact O-N 2.88Å
327F36.1Very low57.5Low151 Ų151107.6 Ų107.666%0.66259%0.591SS**  -66.1130.2125.4-70.8-73.4000107.9H331F327-H331 HydrophobicContact CE1-CB 3.76Å; F327-H331 HydrophobicContact CZ-CB 3.9Å
328P48.6Very low55.6Low126 Ų126117.5 Ų117.582%0.81863%0.628SS**SBend-121.4105112.733.1-31000111.2
329G49.5Very low53.8Low58 Ų58120.4 Ų120.460%0.59864%0.638SS**SBendtrans96.7156.1175.200000115.4
330S40.5Very low51.8Low97 Ų97124.6 Ų124.668%0.67866%0.66SS**  trans65.144.7172.5-162.20000118.4L332S330-L332 VanDerWaalsContact C-N 3.25Å; S330-L332 PolarHBondContact O-N 3.4Å
331H43.5Very low50.4Low123 Ų123125.5 Ų125.557%0.56967%0.668SS**  trans-78.183.4141.9-179.8-84.5000108.8F327 T333F327-H331 HydrophobicContact CE1-CB 3.76Å; F327-H331 HydrophobicContact CZ-CB 3.9Å; H331-T333 PolarHBondContact CE1-O 3.47Å; H331-T333 PolarHBondContact CE1-OG1 3.26Å; H331-T333 PolarHBondContact NE2-OG1 3.38Å
332L48.4Very low49.6Very low129 Ų129126 Ų12668%0.67568%0.678SS**  trans-106.744.3173.6-66.4-178.5000111.7S330 L337S330-L332 VanDerWaalsContact C-N 3.25Å; S330-L332 PolarHBondContact O-N 3.4Å; L332-L337 HydrophobicContact CD2-CD1 4.38Å
333T45Very low49Very low92 Ų92134 Ų13456%0.56470%0.704SS**SBendtrans-109.5102.8169.658.40000110.3H331H331-T333 PolarHBondContact CE1-O 3.47Å; H331-T333 PolarHBondContact CE1-OG1 3.26Å; H331-T333 PolarHBondContact NE2-OG1 3.38Å
334N47.1Very low48.5Very low174 Ų174130.2 Ų130.293%0.9370%0.696SS**SBendtrans55.273.5166-58.9-23.4000117
335G51.1Low48.2Very low61 Ų61123.9 Ų123.963%0.62969%0.686SS**SBendtrans-167.292.1171.400000115.3L337G335-L337 PolarHBondContact O-N 2.97Å
336D51.9Low48.4Very low90 Ų90131.7 Ų131.748%0.48170%0.702SS.*  trans25.580.1160.8-169.325000118.5R338 R339D336-R338 PolarHBondContact O-N 3.19Å; D336-R338 VanDerWaalsContact OD1-CB 3.23Å; D336-R338 WeakPolarHBondContact OD1-CB 3.4Å; D336-R338 WeakPolarHBondContact OD1-CD 3.47Å; D336-R338 WeakPolarHBondContact OD1-CG 3.37Å; D336-R338 PolarHBondContact OD1-N 2.84Å; D336-R339 IonicContact OD2-NH1 2.87Å; D336-R339 PolarHBondContact OD2-NH1 2.99Å
337L54.4Low48.5Very low118 Ų118136.3 Ų136.362%0.61871%0.709SS**THydrogen-bonded Turntrans-62.4-3.4174.8-92.969.1000114.9L332 G335 R339L332-L337 HydrophobicContact CD2-CD1 4.38Å; G335-L337 PolarHBondContact O-N 2.97Å; L337-R339 VanDerWaalsContact C-N 3.28Å; L337-R339 PolarHBondContact O-N 2.69Å
338R57.5Low48.9Very low216 Ų216133.6 Ų133.682%0.81571%0.709SS**THydrogen-bonded Turntrans-78.3-4.2-168-54.4179.874.9178.24.1114.6D336D336-R338 PolarHBondContact O-N 3.19Å; D336-R338 VanDerWaalsContact OD1-CB 3.23Å; D336-R338 WeakPolarHBondContact OD1-CB 3.4Å; D336-R338 WeakPolarHBondContact OD1-CD 3.47Å; D336-R338 WeakPolarHBondContact OD1-CG 3.37Å; D336-R338 PolarHBondContact OD1-N 2.84Å
339R58.5Low48Very low197 Ų197133.3 Ų133.374%0.74371%0.71SS**THydrogen-bonded Turntrans-105.1-30.2-178.7-75-177.8166.396.1-8.1115.5D336 L337D336-R339 IonicContact OD2-NH1 2.87Å; D336-R339 PolarHBondContact OD2-NH1 2.99Å; L337-R339 VanDerWaalsContact C-N 3.28Å; L337-R339 PolarHBondContact O-N 2.69Å
340E50.5Low47.8Very low160 Ų160136 Ų13675%0.74872%0.717SS**G310 helixtrans-70-34.6-178.5-85.4-76.797.900113.4V342 Y343E340-V342 PolarHBondContact O-N 2.87Å; E340-V342 VanDerWaalsContact O-N 3.08Å; E340-Y343 PolarHBondContact O-N 2.75Å
341M56.6Low47.4Very low155 Ų155137.7 Ų137.776%0.76472%0.724SS**G310 helixtrans-69.9-9.8-171.3-156.4172.3-69.500114.4
342V57.4Low47.2Very low112 Ų112142 Ų14268%0.67974%0.735SS**G310 helixtrans-84.6-27.4-177.71800000112.7E340E340-V342 PolarHBondContact O-N 2.87Å; E340-V342 VanDerWaalsContact O-N 3.08Å
343Y44.1Very low46.7Very low212 Ų212146.1 Ų146.183%0.83174%0.741SS**THydrogen-bonded Turntrans-106.1-23.6-174.4-100.8-91.3000115.1E340 S345E340-Y343 PolarHBondContact O-N 2.75Å; Y343-S345 PolarHBondContact O-N 2.86Å
344A41.3Very low46.6Very low81 Ų81149.8 Ų149.867%0.66976%0.756SS**THydrogen-bonded Turntrans-70.1-12.6-178.500000114.9
345S45.2Very low45.9Very low102 Ų102148.8 Ų148.871%0.71375%0.751SS**THydrogen-bonded Turntrans-87.8-4.9-164.1-1670000116.3Y343Y343-S345 PolarHBondContact O-N 2.86Å
346R48.8Very low45.3Very low225 Ų225152.4 Ų152.485%0.84976%0.756SS**SBendtrans-95.9-23.9-168-148.8178.8-171.6-160.60.1116.1
347E43.6Very low44.5Very low183 Ų183155.6 Ų155.686%0.85577%0.772SS**SBendtrans-115.126.6-162.3-141.760.9-126.900114.9
348S43.4Very low43.5Very low95 Ų95155.3 Ų155.366%0.66478%0.78SS**  trans-129.767.4-179.569.20000113.6
349S29.7Very low43.2Very low120 Ų120150.8 Ų150.884%0.83978%0.779SS**  trans-125101.8170.3-77.60000111.1
350P45Very low41.9Very low114 Ų114145.6 Ų145.674%0.7478%0.778SS**  trans-87.5119.6179.532.2-31.4000111.9
351T31.8Very low42.2Very low133 Ų133143.6 Ų143.682%0.81678%0.779SS**  166.6155.2127.936.90000115
352R39.8Very low41.1Very low214 Ų214144.8 Ų144.881%0.80878%0.782SS**  trans77.399.1147.7-85.8-174.6176.3-123-4.6121.6
353R38.9Very low40Very low215 Ų215147.1 Ų147.181%0.81179%0.79SS**  99115.4129.4-59.5-175.699.1-1744.7119.1
354L42.2Very low39.5Very low168 Ų168141.8 Ų141.888%0.8879%0.79SS**  trans33119.8130.8-132.682.1000118.4
355N32Very low39Very low153 Ų153144 Ų14482%0.81880%0.801SS**  trans-149.5127.6156-159.727.8000112.5
356N38.7Very low38.4Very low138 Ų138142.2 Ų142.274%0.73880%0.798SS**  trans-137.2154.1171.9-82.861.8000108
357L35.7Very low37.7Very low157 Ų157137.2 Ų137.282%0.82280%0.798SS**  trans85.897.8171.8-50.8172.4000118.2
358S32.5Very low38.1Very low112 Ų112134.4 Ų134.478%0.78380%0.795SS**  74.1163.7119-59.20000120.2
359P52Low39Very low121 Ų121135.4 Ų135.479%0.78680%0.799SS**  trans-132.9170.4-137.742.1-26.9000119.7
360A31.3Very low40Very low88 Ų88135.9 Ų135.973%0.72780%0.8SS**  trans77.6-177.5155.300000117.8
361P55.7Low39.3Very low117 Ų117133.9 Ų133.976%0.7680%0.799SS**  -134.7165.1-85.141.2-25.9000116.4
362H33.3Very low39.5Very low180 Ų180135.7 Ų135.783%0.83380%0.803SS**  trans179.7168.3161.845.2-87.3000108.9
363L34.4Very low40Very low161 Ų161130.7 Ų130.784%0.84380%0.798SS**  cis168.5140.7-38.4-106.4170.3000105.4
364A33.8Very low39.7Very low101 Ų101126.2 Ų126.284%0.83580%0.8SS**  trans6315917500000116.1
365S32.3Very low39.2Very low128 Ų128122 Ų12290%0.89580%0.797SS**  cis-153164.9-10.7-152.60000107.1
366G31.5Very low39.4Very low64 Ų64122.9 Ų122.966%0.6680%0.801SS**  cis-171.2-169.3600000111.2
367S34.1Very low39.8Very low120 Ų120121.1 Ų121.184%0.83980%0.797SS**  trans-107.5-169.8-160.1-56.30000114.2
368P52Low39.7Very low123 Ų123119.4 Ų119.480%0.79980%0.798SS**  -130-145.4-67.545.5-28.3000111.9
369P62.8Low39.7Very low116 Ų116117.2 Ų117.275%0.75379%0.793SS**  trans-102.4-172.9-161.647.2-44000114.9
370P49.3Very low38.8Very low131 Ų131119.9 Ų119.985%0.85180%0.8SS**  -149.5178.980.840.1-21000116
371G31.9Very low38.9Very low71 Ų71124.9 Ų124.973%0.73281%0.808SS**  trans166.811216600000117.3
372L36Very low37.7Very low172 Ų172125.5 Ų125.590%0.90182%0.815SS**  trans-153.6168.9173.4-78.4-179.1000107.9
373P49.3Very low37.6Very low108 Ų108120.2 Ų120.270%0.70181%0.81SS**  cis-133.1-168.5-9.837.4-17.7000114.5
374S33.3Very low37.6Very low121 Ų121117.3 Ų117.385%0.84680%0.803SS**  trans75.3128.4147.2-64.30000121.9
375G31.6Very low38Very low79 Ų79118.8 Ų118.881%0.81480%0.804SS**  trans177.595.9167.600000114.6
376L36.3Very low38Very low172 Ų172117.9 Ų117.990%0.90180%0.798SS**  trans-112.9171.4157.8-116.584.1000107.2
377P47.3Very low38Very low101 Ų101127 Ų12766%0.65681%0.812SS**  cis-136.7-174.91743.4-26.1000115.8
378S33.9Very low38Very low121 Ų121126.6 Ų126.685%0.84681%0.81SS**  trans66.5148.9157.6-56.20000118.4
379G31.7Very low37.5Very low66 Ų66131.2 Ų131.268%0.6881%0.811SS**  cis156.3134.8-12.700000113
380L33.3Very low36.2Very low177 Ų177131.9 Ų131.993%0.92781%0.808SS**  trans179.3136.7142.3-101.1163.3000110.9
381Q32.3Very low35.3Very low193 Ų193129.7 Ų129.790%0.90280%0.796SS**  trans-120.2137.4164.9-77.9-174.2-7.300109.1
382S31.3Very low35.4Very low130 Ų130137.4 Ų137.491%0.90980%0.804SS**  trans-162130.9159.5-172.30000108.1
383G30.7Very low35.3Very low69 Ų69133.4 Ų133.471%0.71180%0.796SS**  cis-158165.3-500000111.1
384S34.6Very low34.6Very low101 Ų101132.4 Ų132.471%0.70681%0.805SS**  trans-81.2164.3175.2-160.50000110.7S386S384-S386 PolarHBondContact OG-N 3.26Å
385P42.3Very low34.6Very low132 Ų132130.1 Ų130.186%0.85780%0.801SS**  -143.7138.890.236.4-21.1000115.6
386S32.3Very low35.1Very low109 Ų109138 Ų13876%0.76281%0.806SS**  trans-99.8133.4159.6-64.80000110.7S384S384-S386 PolarHBondContact OG-N 3.26Å
387R32.1Very low35.8Very low254 Ų254135.6 Ų135.696%0.95880%0.801SS**  trans-164.5136.2144.7-118.6173.8179.1-167.6-1.5113.8
388S33.8Very low36Very low113 Ų113136.8 Ų136.879%0.7981%0.808SS**  trans-106.8157.4176.915.20000111.8
389R41.3Very low36.1Very low220 Ų220136.9 Ų136.983%0.8381%0.809SS**  trans-163125147.7-102.1-148.8156-152.7-6112.7
390L35.6Very low36.3Very low130 Ų130144.8 Ų144.868%0.68182%0.82SS**  trans42.4153.6140.3-74.189.1000121.3
391S31.2Very low36.3Very low85 Ų85140.3 Ų140.359%0.59481%0.809SS**  cis-177.8176.3-18.4-95.50000108.9
392Y33.4Very low36Very low232 Ų232134.9 Ų134.991%0.9181%0.805SS**  trans74.8143.8171.1-73.1-85.6000116.1
393A34.7Very low36.2Very low88 Ų88134.2 Ų134.273%0.72780%0.8SS**  cis-150.1152.6-3.700000112.8
394G34.1Very low37.4Very low87 Ų87136.1 Ų136.190%0.89780%0.799SS**  trans78.6145.3158.500000117.7
395G32.3Very low37.4Very low74 Ų74136.4 Ų136.476%0.76380%0.797SS**  cis172.580.5-6.700000116.6
396R41.9Very low37Very low245 Ų245137.5 Ų137.593%0.92579%0.79SS**  trans62.3147.1166.1-71.4-174170.8-165.2-2.6119.6
397P51.5Low37.1Very low120 Ų120141.5 Ų141.578%0.77980%0.796SS**  trans-90.4162158.338-33.4000111.8
398P51.5Low36.9Very low126 Ų126133.7 Ų133.782%0.81879%0.786SS**  trans-110.3117.1168.834.9-24.5000112.9
399S37.2Very low36.8Very low124 Ų124132.9 Ų132.987%0.86779%0.787SS**  trans-159.187.9160.7-95.50000110.6
400Y35.5Very low36.5Very low232 Ų232129 Ų12991%0.9178%0.778SS**  trans-162.9171.9139.2-145.4-109.3000112.8
401A32.3Very low36.4Very low83 Ų83131.3 Ų131.369%0.68678%0.778SS**  trans-80.5167.7-162.900000116.8
402G27.1Very low36.7Very low79 Ų79135 Ų13581%0.81479%0.79SS**  trans-132.2140160.800000111.2
403S35.3Very low36.5Very low116 Ų116128 Ų12881%0.81179%0.788SS**  trans-167.5169.7-178.2-146.10000106.5
404P56.6Low36.3Very low108 Ų108127.4 Ų127.470%0.70179%0.79SS**  cis-143.5-158.910.438.6-15.1000115.1
405V33.6Very low36.8Very low107 Ų107128 Ų12865%0.64879%0.787SS**  trans118.6124.6130.1124.10000121
406H33.2Very low37.6Very low156 Ų156130.5 Ų130.572%0.72279%0.789SS**  trans52.2146.8160.3-57-42.7000120.4
407H35Very low37.3Very low192 Ų192123 Ų12389%0.88978%0.78SS**  cis-115.8-177.320.6-86-107.6000115.3
408A28.6Very low36.6Very low90 Ų90121.2 Ų121.274%0.74478%0.775SS**  trans-144.7175.7-177.200000112.4
409A31.9Very low35.8Very low97 Ų97124.9 Ų124.980%0.80278%0.781SS**  trans77.6144.7170.900000115.6
410E33.8Very low35.8Very low138 Ų138121.9 Ų121.965%0.64577%0.77SS**  cis-165.4-179.5-4.1-131.3-114.781.500112.8
411R34.2Very low35.7Very low179 Ų179118.2 Ų118.268%0.67577%0.771SS**  trans76.299.5165.1-60-71141148.3-0.4122.4
412L36.8Very low36.1Very low163 Ų163118.8 Ų118.885%0.85377%0.77SS**  62.9132.8127.1-58.8169.9000121.9
413G30.3Very low37Very low84 Ų84121.1 Ų121.187%0.86677%0.771SS**  trans-162.7-28.4178.200000119.3
414G30Very low36.8Very low75 Ų75120.7 Ų120.777%0.77377%0.768SS**  trans90.5122.1160.900000120.5
415A43.9Very low36.2Very low101 Ų101121.1 Ų121.184%0.83577%0.771SS**  trans79146.7153.200000121.1
416P50.5Low36.6Very low125 Ų125121.7 Ų121.781%0.81278%0.78SS**  trans-102.7-156.8-169.945.7-37.4000111.7
417A35.2Very low37.1Very low89 Ų89119.3 Ų119.374%0.73679%0.787SS**  cis-165.1-178.815.300000109.8
418A36Very low37.9Very low81 Ų81118 Ų11867%0.66979%0.785SS**  cis175.9137.9-4000000108.3
419Q34.5Very low38.8Very low203 Ų203121 Ų12195%0.94979%0.788SS**  trans60.6164.7170.8-62.7174.1-38.200115.6
420G37Very low40Very low61 Ų61124.2 Ų124.263%0.62979%0.786SS**  cis154.1167.2-7.300000111.7
421V33.6Very low41.3Very low155 Ų155129.1 Ų129.194%0.93980%0.799SS**  trans78.3152.9174.6-168.60000116.1
422S41.8Very low42.2Very low95 Ų95131.9 Ų131.966%0.66481%0.809SS**  trans-103.3175.2-175.757.80000113.2
423P44.4Very low43.4Very low128 Ų128132 Ų13283%0.83181%0.811SS**  trans-113.1124.8157.534.4-24.3000112.7
424S31.5Very low44.3Very low108 Ų108134.6 Ų134.676%0.75581%0.809SS**  trans-97.7157.2158.3-72.30000109.4
425P45.3Very low45.4Very low117 Ų117139.3 Ų139.376%0.7681%0.808SS**SBendtrans-84.5161.5-165.233.1-37.1000114.9
426S41.9Very low46.2Very low119 Ų119140.1 Ų140.183%0.83281%0.805SS**  trans94.995.3165.5-40.30000117.2
427A42.7Very low46.2Very low105 Ų105141.5 Ų141.587%0.86881%0.806SS**  trans-140.8113.6149.400000108.1
428I52.2Low47.3Very low164 Ų164146.1 Ų146.184%0.84181%0.812SS**  trans-108.1120.5176.7-64.5171000107.5
429L46.9Very low47.7Very low155 Ų155149.3 Ų149.381%0.81282%0.818SS**  trans-175172.2145.6-106.3165.9000112.2
430E57.5Low48.3Very low164 Ų164146.6 Ų146.677%0.76681%0.809SS**  trans61.376.1163-71178.774.900119.8
431R60.6Low48.2Very low241 Ų241149 Ų14991%0.90982%0.823SS**  25.3106.8115-63.4176.5171.2-173.2-4.1117
432R54.5Low48.4Very low237 Ų237146.5 Ų146.589%0.89481%0.813SS**  trans-141.4137.5134.3-65.6-169.2-169.3149.810.3109.5
433D60.3Low48.2Very low165 Ų165152 Ų15288%0.88282%0.824SS**  trans-61.7133.9176.4-62.9-113.6000111.3
434V49.7Very low47.8Very low138 Ų138150.8 Ų150.884%0.83683%0.825SS**  trans-112.9108.9166.7177.10000106.8
435K54.4Low47.9Very low174 Ų174149.8 Ų149.876%0.75783%0.832SS**PPolyproline II helixtrans-68.8146.5166-80.2-175.4171.7-1750109.5
436P60.1Low47.3Very low118 Ų118147.8 Ų147.877%0.76683%0.832SS**PPolyproline II helixtrans-74.4129.8152.532.3-29.4000108.9
437D51Low47Very low155 Ų155150.8 Ų150.883%0.82984%0.836SS**PPolyproline II helixtrans-90.9128.8164.4-85-91.4000108.9
438E56.8Low46.9Very low186 Ų186153 Ų15387%0.86984%0.838SS**  trans-111120.8170.6-70-170.29400108.7
439D45.4Very low46.5Very low148 Ų148152.7 Ų152.779%0.79184%0.837SS**  trans-14087172.4-135.9-28.3000113.9
440L47.9Very low46.4Very low146 Ų146152.3 Ų152.376%0.76484%0.841SS**  trans34.493.2136.8-57.3175.4000119.7
441A34.8Very low45.2Very low110 Ų110153.4 Ų153.491%0.90984%0.843SS**  trans-91.4116.4150.600000110.2
442S36.3Very low44.1Very low104 Ų104145.7 Ų145.773%0.72784%0.838SS**  trans-104.6155.4-170.2-73.60000115.5
443K37.1Very low43.2Very low210 Ų210143.2 Ų143.291%0.91384%0.837SS**  trans85.8100.5142.5-165.6-177.4-173.4177.40120.1
444A36.4Very low42.2Very low102 Ų102138.9 Ų138.984%0.84383%0.832SS**  trans-16292.5145.200000114.2
445G34.1Very low41.7Very low88 Ų88140.7 Ų140.791%0.90784%0.836SS**  trans72.9146.3164.500000117.8
446G33Very low40.9Very low74 Ų74142.5 Ų142.576%0.76384%0.839SS**  cis-176.9123.3-8.300000113.8
447M36Very low40.1Very low183 Ų183141.7 Ų141.790%0.90184%0.842SS**  trans25.8112.7156.7-63.516962.800120.8
448V39.5Very low39.4Very low150 Ų150140.3 Ų140.391%0.90984%0.835SS**  trans-132.8149136.6178.80000108.5
449L43.5Very low39Very low158 Ų158135.4 Ų135.483%0.82782%0.819SS**  trans-84.4152.1-172.3-62.3145.5000112.7
450V45.1Very low39Very low147 Ų147139 Ų13989%0.89182%0.823SS**  -168.1149114.11430000109.8
451K33.7Very low38.8Very low188 Ų188136 Ų13682%0.81783%0.828SS**  trans-102.3134.1-176.4171.6-176.4176.3179.50110.3
452G37.3Very low39.8Very low78 Ų78138.3 Ų138.380%0.80482%0.824SS**  trans-174.7101.717400000111.9
453E35.7Very low39.8Very low185 Ų185140.7 Ų140.786%0.86483%0.827SS**  trans-89.9158.2177.6-64.2168.5-17300110.7
454G37.5Very low40Very low75 Ų75138.2 Ų138.277%0.77382%0.819SS**  trans146.757.3167.500000117.6
455L39.8Very low39.9Very low176 Ų176141.1 Ų141.192%0.92182%0.815SS**  trans-134.1100.3163.1-77.2176.3000110.2
456Y38.4Very low40Very low212 Ų212140.2 Ų140.283%0.83181%0.805SS**  168.5116.7124.4-162-103.1000110.4
457A41.9Very low40.2Very low100 Ų100146.8 Ų146.883%0.82681%0.807SS**  trans-150.9142165.500000108.3
458D36.7Very low40.7Very low127 Ų127144.7 Ų144.768%0.67980%0.799SS**  trans-84.2156.7-159.4-142.334.3000113.3
459P49.6Very low40.6Very low82 Ų82141.7 Ų141.753%0.53278%0.784SS.*SBendtrans-80.4173.7-179.632.2-30.2000113.1
460Y44.8Very low40.4Very low225 Ų225142.6 Ų142.688%0.88279%0.789SS**  trans75.441.9175.7-51.6-74.4000117.5L462Y460-L462 PolarHBondContact O-N 3.33Å
461G44.3Very low40.2Very low83 Ų83140.2 Ų140.286%0.85679%0.785SS**  trans-72.7114.8152.400000111.2
462L54.3Low40.3Very low158 Ų158136.3 Ų136.383%0.82779%0.787SS**  trans-87.5175175.4-152.373.1000111.1Y460Y460-L462 PolarHBondContact O-N 3.33Å
463L37.8Very low40.3Very low153 Ų153141.3 Ų141.380%0.80182%0.821SS**  trans73.8146.9176.8-86.771.1000115
464H39.8Very low40.6Very low158 Ų158139.1 Ų139.173%0.73182%0.819SS**  cis-151.6161.9-3.3178.858000111.3
465E34.3Very low40.7Very low164 Ų164142.5 Ų142.577%0.76682%0.821SS**  trans-28.1147.8169.8-177.6172.8-123.500118.9
466G37Very low40.8Very low68 Ų68140.6 Ų140.670%0.70182%0.816SS**  trans169.768.6166.600000121.2
467R37.3Very low40.9Very low213 Ų213136.4 Ų136.480%0.80482%0.815SS**  trans45.1123.7141.1-55.7-170.283.4168.27.9122.2
468L45.8Very low40.9Very low138 Ų138138.7 Ų138.772%0.72381%0.814SS**  trans64.9153.1132.6-54.8173.4000118.6
469S37.1Very low41.2Very low87 Ų87139.5 Ų139.561%0.60882%0.823SS**  cis-168.5157.1-13.3-107.80000111.4
470L39.8Very low40.6Very low177 Ų177143.6 Ų143.693%0.92784%0.844SS**  trans64.5165.6154.9-68.9164.5000118.5
471A42Very low40.2Very low98 Ų98137.3 Ų137.381%0.8184%0.841SS**  trans-127.5147.8-177.800000110.8
472A35.6Very low39.9Very low105 Ų105141.8 Ų141.887%0.86884%0.84SS**  trans-175.1119.6153.300000111.1
473A37.9Very low38.6Very low183 Ų183140.4 Ų140.4100%1.51284%0.841SS**  trans-178.40150.700000108.6

Retrieved 473 of 473 residues in 189.3 ms (Link to these results)