A0A087YBY6_POEFO Loading...

Forkhead box C1a

AlphaFold DB , UniProt , Accession A0A087YBY6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 480 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
1M45.8Very low41.9Very low240 Ų240155.6 Ų155.6100%1.18284%0.84SS**  0163.30-73.9179172.300108.6
2Q47.9Very low41.6Very low202 Ų202150.7 Ų150.794%0.94483%0.826SS**  trans68.4113.6-172.8-57.4172.2-8.100115
3A35.1Very low41.4Very low83 Ų83152.3 Ų152.369%0.68683%0.831SS**  trans-149.2145.6156.600000107.4Y5A3-Y5 HydrophobicContact CB-CE2 4.42Å
4R47Very low40.7Very low230 Ų230146.1 Ų146.187%0.86882%0.821SS**  trans-90.1147.8179.4-61.1172.3176.6155.7-3.9110.1
5Y35.5Very low40.4Very low222 Ų222145 Ų14587%0.87182%0.818SS**  trans-136.5148155.7-69.2-71.4000111.3A3A3-Y5 HydrophobicContact CB-CE2 4.42Å
6S39.5Very low40.4Very low101 Ų101144.1 Ų144.171%0.70682%0.816SS**  trans-136.9139.8-174.3-62.40000109.9
7V36.3Very low41.1Very low135 Ų135141.9 Ų141.982%0.81881%0.809SS**  trans71.4141.6143.6170.20000119.2
8S37.1Very low40.8Very low107 Ų107145.4 Ų145.475%0.74881%0.809SS**  trans72.2109.3161.8-71.60000121.1
9S46.4Very low40.8Very low104 Ų104144.7 Ų144.773%0.72780%0.802SS**  35.2133.4123.9-1670000120.9
10P45.7Very low40.5Very low128 Ų128142.5 Ų142.583%0.83180%0.797SS**  trans-118.5124.1136.834.4-24.9000112.1
11N44.6Very low40.1Very low160 Ų160141 Ų14186%0.85680%0.796SS**  trans-13494.7154-168.519.8000108.1
12S37.9Very low39.8Very low96 Ų96136.2 Ų136.267%0.67178%0.775SS**  trans-159.6103.8-179.2-158.80000108.8
13L39Very low39.7Very low172 Ų172131.8 Ų131.890%0.90176%0.764SS**  88.1135.197.6-73.2179.8000115
14G31.7Very low39.5Very low66 Ų66132.8 Ų132.868%0.6877%0.766SS**  trans150.457.6-174.300000113.3
15V36.9Very low38.7Very low129 Ų129131.5 Ų131.578%0.78276%0.762SS**  7491.999.11770000112.3
16V39.6Very low38.6Very low130 Ų130131 Ų13179%0.78876%0.761SS**  57.6140.474.2-171.60000112.4
17P52.8Low38.2Very low107 Ų107138 Ų13870%0.69577%0.771SS**  cis-111.8-15813.145.9-35.4000112.9
18Y35.6Very low38Very low205 Ų205136 Ų13680%0.80477%0.769SS**  cis-156.6175.7-0.2-130.9170.4000107.1
19I41.2Very low37.9Very low133 Ų133135.4 Ų135.468%0.68277%0.771SS**  cis-135.4159.4-0.223.8172.5000106.6
20S34.9Very low37.4Very low99 Ų99135.6 Ų135.669%0.69278%0.779SS**  65.1129.961.1-135.70000114.9
21S32.7Very low36.6Very low112 Ų112133 Ų13378%0.78378%0.776SS**  cis-144.9151.61560.60000116.8
22D38Very low35.9Very low139 Ų139129.6 Ų129.674%0.74378%0.778SS**  trans-55.1-179.2166.5-100.7-64.1000115.9
23P45.8Very low35.6Very low110 Ų110128.2 Ų128.271%0.71478%0.779SS**  cis-154.4178.835.545.2-23.4000122.4
24S30.6Very low35.5Very low103 Ų103130.5 Ų130.572%0.7278%0.777SS**  trans82.1122.2154.6-55.40000118.1
25Y30.9Very low35.8Very low203 Ų203134 Ų13480%0.79679%0.785SS**  cis87.9122.120.2-79.6-70.2000120.2
26Y34.5Very low35.9Very low213 Ų213130.9 Ų130.984%0.83578%0.779SS**  trans44.4127.6154.9-81.8-67.1000122.7
27R29.8Very low36Very low246 Ų246133.6 Ų133.693%0.92879%0.786SS**  176.5163.699.9-177.1162.4-78.8-153.8-3.3111.4
28A32.7Very low35.5Very low94 Ų94133.4 Ų133.478%0.77779%0.793SS**  trans-115.3160.3-177.700000113.4
29A34.2Very low35.8Very low94 Ų94128.1 Ų128.178%0.77779%0.792SS**  trans177.7146144.200000113.5
30A35.7Very low36.5Very low109 Ų109127.7 Ų127.790%0.90180%0.797SS**  trans58.5165160.200000118.8
31G30.6Very low36.7Very low74 Ų74131.7 Ų131.776%0.76381%0.808SS**  cis149.7118.1-12.700000113.3
32G30Very low36.9Very low87 Ų87134.3 Ų134.390%0.89781%0.813SS**  trans75.3175.3-175.100000114
33G30Very low36.9Very low67 Ų67135.3 Ų135.369%0.69182%0.815SS**  cis158.4133.4-10.800000114.2
34Y36.9Very low36.7Very low221 Ų221140.3 Ų140.387%0.86782%0.821SS**  trans68151.1162.7-75.2-85.7000122.2
35T39Very low37Very low138 Ų138139.9 Ų139.985%0.84782%0.818SS**  trans63.5154.6171.357.20000115.8
36G37.9Very low37.6Very low64 Ų64138.8 Ų138.866%0.6682%0.82SS**  cis122.5124.621.400000106.7
37M41.6Very low37.9Very low188 Ų188133.6 Ų133.693%0.92682%0.821SS**  -160.6176.368.2-75.9-61.6-177.500112.2
38A44.1Very low38.7Very low103 Ų103126.6 Ų126.685%0.85182%0.815SS**  trans-80.6160.717400000113.8
39A42Very low39.2Very low94 Ų94130.8 Ų130.878%0.77782%0.819SS**  trans-109.4150.3169.200000110.7
40P54Low39.8Very low123 Ų123132.9 Ų132.980%0.79982%0.817SS**  trans-87153.9-158.233-37.1000116
41M39.5Very low40.1Very low184 Ų184136.6 Ų136.691%0.90682%0.816SS**  trans-63.9127159.9-78.4-76.2-149.900110.2
42N37.2Very low40.5Very low167 Ų167144 Ų14489%0.89382%0.822SS**  trans-99.192.1171.4-148.857.4000109.9
43M37.4Very low41.3Very low159 Ų159144.9 Ų144.978%0.78381%0.812SS**  trans-93.5122.4178.8178.5-176.7-176.800109.8
44Y42.4Very low42.4Very low215 Ų215146.8 Ų146.884%0.84382%0.821SS**  trans-158.4135.7151.5-12742.4000111
45S36.1Very low43.2Very low94 Ų94140.6 Ų140.666%0.65781%0.81SS**  trans-103.9143.9-178.5-54.70000110.2
46H43.6Very low44Very low180 Ų180143.5 Ų143.583%0.83382%0.817SS**  trans-124.4141.3155.3-85.6-83.3000109.6
47A42.3Very low44.6Very low104 Ų104144.8 Ų144.886%0.8682%0.821SS**  trans-82168.7-168.700000112.9
48A45.6Very low45Very low99 Ų99147.2 Ų147.282%0.81882%0.82SS**  trans-68.8154.7-175.600000113.8
49H44.2Very low45.1Very low182 Ų182146.6 Ų146.684%0.84382%0.815SS**  trans-143.1140.4145.5-137.6-51.6000109.3
50D46.1Very low45.6Very low139 Ų139153.6 Ų153.674%0.74382%0.823SS**  trans-65.2128.6-173.4-58.2-102.1000114.4
51Q42Very low45.6Very low187 Ų187150.2 Ų150.287%0.87481%0.81SS**  trans-170.3111.3130.8-103.1153.824.300111.5P53Q51-P53 VanDerWaalsContact O-CD 3.27Å; Q51-P53 WeakPolarHBondContact O-CD 3.29Å
52Y39Very low46.5Very low230 Ų230147 Ų14790%0.90280%0.803SS**  trans-83114.5168.2-92-91.6000110.2A54Y52-A54 PolarHBondContact O-N 2.79Å
53P47.4Very low47.2Very low104 Ų104149.5 Ų149.568%0.67580%0.801SS**  trans-74.494.5166.730.2-32.9000109.5Q51 S55Q51-P53 VanDerWaalsContact O-CD 3.27Å; Q51-P53 WeakPolarHBondContact O-CD 3.29Å; P53-S55 VanDerWaalsContact C-N 3.25Å; P53-S55 PolarHBondContact O-N 3.45Å; P53-S55 PolarHBondContact O-OG 2.77Å
54A52.5Low48.5Very low108 Ų108147.3 Ų147.389%0.89380%0.797SS**  trans-63.779.917900000112.3Y52Y52-A54 PolarHBondContact O-N 2.79Å
55S54.1Low49.6Very low91 Ų91142.3 Ų142.364%0.63679%0.791SS**  trans-121.24.1-175.253.60000112.9P53 A57P53-S55 VanDerWaalsContact C-N 3.25Å; P53-S55 PolarHBondContact O-N 3.45Å; P53-S55 PolarHBondContact O-OG 2.77Å; S55-A57 PolarHBondContact O-N 3.06Å
56M55.2Low50.7Low199 Ų199145.3 Ų145.398%0.9879%0.794SS**  trans-77.355.4174.4-65.7-173.2179.300111.9
57A50.6Low51.5Low90 Ų90142.1 Ų142.174%0.74479%0.79SS**  trans-12834.7173.300000111.3S55 A59S55-A57 PolarHBondContact O-N 3.06Å; A57-A59 VanDerWaalsContact C-N 3.31Å; A57-A59 PolarHBondContact O-N 3.46Å
58R49.1Very low52.4Low240 Ų240143.4 Ų143.491%0.90678%0.778SS**  trans-66.397.8160.3-89.8-171.3172.9150.81.9107.8Y60R58-Y60 PolarHBondContact O-N 3.21Å
59A47Very low53.4Low90 Ų90142.1 Ų142.174%0.74476%0.761SS**  trans-51.9139.617400000110.4A57 G61A57-A59 VanDerWaalsContact C-N 3.31Å; A57-A59 PolarHBondContact O-N 3.46Å; A59-G61 PolarHBondContact O-N 3.28Å
60Y51.7Low54.3Low241 Ų241142.3 Ų142.395%0.94576%0.76SS**  trans-71.667166.5-74-90.5000109.5R58R58-Y60 PolarHBondContact O-N 3.21Å
61G54.5Low55.2Low51 Ų51140.8 Ų140.853%0.52675%0.751SS.*  trans-58.3138.1165.900000108.8A59 Y63A59-G61 PolarHBondContact O-N 3.28Å; G61-Y63 PolarHBondContact O-N 3.35Å; G61-Y63 VanDerWaalsContact O-N 3.15Å
62P59Low56.9Low118 Ų118136.3 Ų136.377%0.76673%0.732SS**  trans-58.4124.6179.524.8-33.5000108.7T64P62-T64 PolarHBondContact O-N 3.45Å
63Y51Low59.1Low219 Ų219130.1 Ų130.186%0.85972%0.718SS**  trans-71.681.3-178.5-162.1-84.6000109.1G61 P65G61-Y63 PolarHBondContact O-N 3.35Å; G61-Y63 VanDerWaalsContact O-N 3.15Å; Y63-P65 VanDerWaalsContact O-CD 3.24Å; Y63-P65 WeakPolarHBondContact O-CD 3.46Å; Y63-P65 VanDerWaalsContact O-N 3.14Å
64T65.5Low61.2Low113 Ų113130.2 Ų130.269%0.69371%0.708SS**  trans-60.4113.417143.60000107.2P62 Q66P62-T64 PolarHBondContact O-N 3.45Å; T64-Q66 PolarHBondContact O-N 2.92Å; T64-Q66 VanDerWaalsContact O-N 3.07Å
65P64.9Low63Low109 Ų109126 Ų12671%0.70867%0.671SS**  trans-63.3121.1178.925.9-32.4000107.4Y63Y63-P65 VanDerWaalsContact O-CD 3.24Å; Y63-P65 WeakPolarHBondContact O-CD 3.46Å; Y63-P65 VanDerWaalsContact O-N 3.14Å
66Q60.2Low64.7Low157 Ų157125.7 Ų125.773%0.73467%0.667SS**  trans-44.8125.3173.9-82.8-73.5-3.700108.7T64 Q68T64-Q66 PolarHBondContact O-N 2.92Å; T64-Q66 VanDerWaalsContact O-N 3.07Å; Q66-Q68 PolarHBondContact O-N 3.37Å
67P60.5Low66.5Low113 Ų113119.7 Ų119.773%0.73463%0.634SS**  trans-66.296.6-171.325.9-34000109.4
68Q59.8Low68.6Low131 Ų131117.2 Ų117.261%0.61261%0.611SS**  trans-50.9129174.8-66.9-66.3-35.300108.2Q66 K70Q66-Q68 PolarHBondContact O-N 3.37Å; Q68-K70 PolarHBondContact O-N 3Å
69P67.7Low70.8Confident73 Ų73108.3 Ų108.347%0.47458%0.578SS.*  trans-56.2129.9-178.622.2-31.5000108.6D71 M72P69-D71 PolarHBondContact O-N 3.2Å; P69-M72 HydrophobicContact CG-CG 4.07Å; P69-M72 HydrophobicContact CG-SD 3.77Å; P69-M72 WeakPolarHBondContact O-CB 3.36Å; P69-M72 PolarHBondContact O-N 3.02Å
70K62.5Low73.1Confident186 Ų186105.7 Ų105.781%0.80955%0.551SS**G310 helixtrans-59.3-21.1-163.6-67174.2-179171.60112.9Q68 M72 V73Q68-K70 PolarHBondContact O-N 3Å; K70-M72 PolarHBondContact O-N 3.23Å; K70-V73 WeakPolarHBondContact O-CB 3.4Å; K70-V73 WeakPolarHBondContact O-CG2 3.39Å; K70-V73 PolarHBondContact O-N 3.34Å; K70-V73 VanDerWaalsContact O-N 3.12Å
71D65.4Low75.2Confident106 Ų10694.3 Ų94.357%0.56751%0.506SS*.G310 helixtrans-69.7-14.2177.1-41.4-70.3000114.1P69 V73 P109 F110P69-D71 PolarHBondContact O-N 3.2Å; D71-V73 VanDerWaalsContact C-N 3.34Å; D71-P109 HydrophobicContact CB-CB 4.31Å; D71-P109 HydrophobicContact CB-CG 4.09Å; D71-F110 PolarHBondContact O-N 2.96Å
72M78.3Confident77.1Confident94 Ų9491.9 Ų91.946%0.46348%0.481SS..G310 helixtrans-88.34.1171.1-62.3-174.975.300113.1P69 K70 F110P69-M72 HydrophobicContact CG-CG 4.07Å; P69-M72 HydrophobicContact CG-SD 3.77Å; P69-M72 WeakPolarHBondContact O-CB 3.36Å; P69-M72 PolarHBondContact O-N 3.02Å; K70-M72 PolarHBondContact O-N 3.23Å; M72-F110 VanDerWaalsContact O-CD2 3.29Å; M72-F110 WeakPolarHBondContact O-CD2 3.42Å
73V85.3Confident79Confident100 Ų10086.2 Ų86.261%0.60645%0.445SS*.SBendtrans-84.6135.4172.2-178.90000110K70 D71 P75K70-V73 WeakPolarHBondContact O-CB 3.4Å; K70-V73 WeakPolarHBondContact O-CG2 3.39Å; K70-V73 PolarHBondContact O-N 3.34Å; K70-V73 VanDerWaalsContact O-N 3.12Å; D71-V73 VanDerWaalsContact C-N 3.34Å; V73-P75 VanDerWaalsContact O-CD 3.31Å; V73-P75 WeakPolarHBondContact O-CD 3.43Å
74K89.8Confident81.1Confident106 Ų10675.8 Ų75.846%0.46140%0.404SS..PPolyproline II helixtrans-59120.8178.4-175.4165.2-171.9167.80111.2Y79 F110 Y111K74-Y79 PolarHBondContact NZ-OH 3.24Å; K74-F110 HydrophobicContact CB-CD1 4.05Å; K74-F110 HydrophobicContact CB-CD2 4.29Å; K74-F110 HydrophobicContact CB-CE1 3.7Å; K74-F110 HydrophobicContact CB-CE2 3.94Å; K74-F110 HydrophobicContact CB-CG 4.34Å; K74-F110 HydrophobicContact CB-CZ 3.65Å; K74-F110 HydrophobicContact CD-CE1 3.72Å; K74-F110 HydrophobicContact CD-CZ 3.87Å; K74-F110 HydrophobicContact CG-CD1 4Å; K74-F110 HydrophobicContact CG-CE1 3.5Å; K74-F110 HydrophobicContact CG-CZ 3.87Å; K74-Y111 VanDerWaalsContact CE-OH 3.27Å; K74-Y111 WeakPolarHBondContact CE-OH 3.49Å
75P90.6Very high82.5Confident18 Ų1871.3 Ų71.312%0.11738%0.375CS..PPolyproline II helixtrans-59.6147.7-179.6-25.233.5000113.1V73 Y77 F108 Y111V73-P75 VanDerWaalsContact O-CD 3.31Å; V73-P75 WeakPolarHBondContact O-CD 3.43Å; P75-Y77 HydrophobicContact CB-CD2 3.72Å; P75-Y77 HydrophobicContact CB-CE2 4.3Å; P75-Y77 PolarHBondContact O-N 2.93Å; P75-F108 HydrophobicContact CB-CD1 3.99Å; P75-F108 HydrophobicContact CB-CE1 4.16Å; P75-F108 HydrophobicContact CG-CB 3.91Å; P75-F108 HydrophobicContact CG-CD1 3.44Å; P75-F108 VanDerWaalsContact CG-CD1 3.44Å; P75-F108 HydrophobicContact CG-CE1 4.12Å; P75-F108 HydrophobicContact CG-CG 3.76Å; P75-Y111 HydrophobicContact CG-CE2 4.15Å
76P90.5Very high84.1Confident86 Ų8666.2 Ų66.256%0.55834%0.343SS*.SBendtrans-73.718.6-176.932-37.3000114.8L164P76-L164 HydrophobicContact CB-CD2 4.35Å; P76-L164 HydrophobicContact CG-CD2 4.2Å
77Y92.6Very high85.8Confident72 Ų7258.9 Ų58.928%0.28231%0.308SS..BIsolated β-bridgetrans-96.2146.6-176.5-58-57.9000111.9P75 L82 M85 F108 F163 L164P75-Y77 HydrophobicContact CB-CD2 3.72Å; P75-Y77 HydrophobicContact CB-CE2 4.3Å; P75-Y77 PolarHBondContact O-N 2.93Å; Y77-L82 HydrophobicContact CD2-CD2 4.42Å; Y77-M85 HydrophobicContact CD1-CE 4.16Å; Y77-M85 HydrophobicContact CD2-CE 3.88Å; Y77-M85 HydrophobicContact CE2-CE 4.28Å; Y77-M85 HydrophobicContact CG-CE 3.83Å; Y77-F108 AromaticContact CD2-CE1 3.99Å; Y77-F108 HydrophobicContact CD2-CE1 3.99Å; Y77-F108 AromaticContact CD2-CZ 3.73Å; Y77-F108 HydrophobicContact CD2-CZ 3.73Å; Y77-F108 AromaticContact CE2-CE1 3.8Å; Y77-F108 HydrophobicContact CE2-CE1 3.8Å; Y77-F108 AromaticContact CE2-CZ 3.73Å; Y77-F108 HydrophobicContact CE2-CZ 3.73Å; Y77-F163 HydrophobicContact CD1-CB 3.91Å; Y77-F163 HydrophobicContact CE1-CB 3.88Å; Y77-L164 HydrophobicContact CE1-CD2 4.2Å
78S94.3Very high87.4Confident38 Ų3855 Ų5527%0.26628%0.28SS..  trans-78.3160.7169.366.60000110.8I80 A81 L82S78-I80 PolarHBondContact O-N 3.39Å; S78-A81 PolarHBondContact O-N 3.46Å; S78-A81 VanDerWaalsContact O-N 3.07Å; S78-A81 PolarHBondContact OG-N 3.47Å; S78-A81 VanDerWaalsContact OG-N 3.08Å; S78-L82 WeakPolarHBondContact O-CG 3.41Å; S78-L82 PolarHBondContact O-N 3.22Å
79Y96.3Very high89.1Confident53 Ų5352.6 Ų52.621%0.20827%0.272CS..Hα-helixtrans-58.1-35.3173.1-66.1-59.9000112.2K74 L82 I83 Y111 W118 I122K74-Y79 PolarHBondContact NZ-OH 3.24Å; Y79-L82 HydrophobicContact CD1-CD1 4.09Å; Y79-L82 PolarHBondContact O-N 2.87Å; Y79-I83 WeakPolarHBondContact O-CD1 3.42Å; Y79-I83 VanDerWaalsContact O-CG1 3.22Å; Y79-I83 WeakPolarHBondContact O-CG1 3.43Å; Y79-I83 PolarHBondContact O-N 3.39Å; Y79-Y111 HydrophobicContact CE1-CE1 4.26Å; Y79-W118 HydrophobicContact CE1-CB 4.35Å; Y79-I122 HydrophobicContact CD1-CD1 3.89Å; Y79-I122 HydrophobicContact CD1-CG1 4.45Å; Y79-I122 HydrophobicContact CG-CD1 4.48Å
80I95.1Very high90.4Very high36 Ų3650 Ų5019%0.18526%0.255CS..Hα-helixtrans-57.4-53.3171.4-55.6173.6000110.1S78 L82 I83 T84 N129 F132 F158S78-I80 PolarHBondContact O-N 3.39Å; I80-L82 VanDerWaalsContact C-N 3.32Å; I80-L82 PolarHBondContact O-N 3.24Å; I80-I83 PolarHBondContact O-N 3.21Å; I80-T84 PolarHBondContact O-N 2.93Å; I80-T84 PolarHBondContact O-OG1 3.35Å; I80-T84 VanDerWaalsContact O-OG1 3.11Å; I80-N129 VanDerWaalsContact CD1-OD1 3.29Å; I80-N129 WeakPolarHBondContact CD1-OD1 3.3Å; I80-F132 HydrophobicContact CB-CE2 4.35Å; I80-F132 HydrophobicContact CB-CZ 4.32Å; I80-F132 HydrophobicContact CG1-CE2 4.43Å; I80-F132 HydrophobicContact CG2-CE2 3.96Å; I80-F132 HydrophobicContact CG2-CZ 3.67Å; I80-F158 HydrophobicContact CG2-CE1 4.09Å; I80-F158 HydrophobicContact CG2-CZ 3.68Å
81A94.6Very high91.9Very high1 Ų146.6 Ų46.61%0.00825%0.252CS..Hα-helixtrans-62.5-36.4179.300000113.1S78 T84 M85 F163S78-A81 PolarHBondContact O-N 3.46Å; S78-A81 VanDerWaalsContact O-N 3.07Å; S78-A81 PolarHBondContact OG-N 3.47Å; S78-A81 VanDerWaalsContact OG-N 3.08Å; A81-T84 PolarHBondContact O-N 3.22Å; A81-M85 WeakPolarHBondContact O-CB 3.42Å; A81-M85 WeakPolarHBondContact O-CE 3.39Å; A81-M85 WeakPolarHBondContact O-CG 3.29Å; A81-M85 PolarHBondContact O-N 3.07Å; A81-F163 HydrophobicContact CB-CB 4.17Å; A81-F163 HydrophobicContact CB-CD1 4.38Å; A81-F163 VanDerWaalsContact CB-O 3.26Å; A81-F163 WeakPolarHBondContact CB-O 3.34Å
82L96.1Very high93.3Very high0 Ų046.3 Ų46.30%025%0.251CS..Hα-helixtrans-63.4-42.5174.3-67.7172.8000112.2Y77 S78 Y79 I80 M85 A86 I104 F108 Y111Y77-L82 HydrophobicContact CD2-CD2 4.42Å; S78-L82 WeakPolarHBondContact O-CG 3.41Å; S78-L82 PolarHBondContact O-N 3.22Å; Y79-L82 HydrophobicContact CD1-CD1 4.09Å; Y79-L82 PolarHBondContact O-N 2.87Å; I80-L82 VanDerWaalsContact C-N 3.32Å; I80-L82 PolarHBondContact O-N 3.24Å; L82-M85 HydrophobicContact CD2-CE 4Å; L82-A86 PolarHBondContact O-N 3.15Å; L82-I104 HydrophobicContact CB-CD1 3.86Å; L82-I104 HydrophobicContact CB-CG1 4.21Å; L82-F108 HydrophobicContact CD2-CD2 3.63Å; L82-F108 HydrophobicContact CD2-CE2 3.35Å; L82-F108 HydrophobicContact CD2-CZ 4.15Å; L82-Y111 HydrophobicContact CD1-CE2 3.78Å
83I97.1Very high94.2Very high0 Ų046.4 Ų46.40%025%0.249CC..Hα-helixtrans-66.5-47.5175.4-66.1159.5000110.4Y79 I80 M85 A86 I87 I100 I122 N125 L126 F132Y79-I83 WeakPolarHBondContact O-CD1 3.42Å; Y79-I83 VanDerWaalsContact O-CG1 3.22Å; Y79-I83 WeakPolarHBondContact O-CG1 3.43Å; Y79-I83 PolarHBondContact O-N 3.39Å; I80-I83 PolarHBondContact O-N 3.21Å; I83-M85 VanDerWaalsContact C-N 3.34Å; I83-M85 PolarHBondContact O-N 3.27Å; I83-A86 WeakPolarHBondContact O-CB 3.36Å; I83-A86 PolarHBondContact O-N 2.97Å; I83-A86 VanDerWaalsContact O-N 3.08Å; I83-I87 HydrophobicContact CG2-CD1 3.77Å; I83-I87 HydrophobicContact CG2-CG1 4.43Å; I83-I87 WeakPolarHBondContact O-CG1 3.46Å; I83-I87 PolarHBondContact O-N 3.25Å; I83-I100 HydrophobicContact CG1-CG2 4.14Å; I83-I100 HydrophobicContact CG2-CD1 4.18Å; I83-I122 HydrophobicContact CD1-CD1 4.09Å; I83-I122 HydrophobicContact CD1-CG2 4.37Å; I83-I122 HydrophobicContact CG1-CD1 3.83Å; I83-I122 HydrophobicContact CG1-CG2 4.33Å; I83-N125 HydrophobicContact CD1-CB 3.86Å; I83-L126 HydrophobicContact CD1-CD2 4.03Å; I83-L126 HydrophobicContact CD1-CG 3.97Å; I83-L126 HydrophobicContact CG1-CD2 4.4Å; I83-L126 HydrophobicContact CG2-CD2 3.65Å; I83-F132 HydrophobicContact CB-CE1 4.01Å; I83-F132 HydrophobicContact CB-CE2 4.11Å; I83-F132 HydrophobicContact CB-CZ 3.66Å; I83-F132 HydrophobicContact CD1-CD2 4.39Å; I83-F132 HydrophobicContact CD1-CE2 3.89Å; I83-F132 HydrophobicContact CD1-CZ 4.32Å; I83-F132 HydrophobicContact CG2-CD1 3.71Å; I83-F132 HydrophobicContact CG2-CD2 4.26Å; I83-F132 HydrophobicContact CG2-CE1 3.38Å; I83-F132 HydrophobicContact CG2-CE2 3.95Å; I83-F132 HydrophobicContact CG2-CG 4.15Å; I83-F132 HydrophobicContact CG2-CZ 3.51Å
84T95.8Very high94.7Very high0 Ų044.9 Ų44.90%023%0.234CC..Hα-helixtrans-60.8-42179.5-55.90000111.9I80 A81 A86 I87 Q88 L150 F158 F163I80-T84 PolarHBondContact O-N 2.93Å; I80-T84 PolarHBondContact O-OG1 3.35Å; I80-T84 VanDerWaalsContact O-OG1 3.11Å; A81-T84 PolarHBondContact O-N 3.22Å; T84-A86 VanDerWaalsContact C-N 3.33Å; T84-A86 PolarHBondContact O-N 2.65Å; T84-I87 PolarHBondContact O-N 2.87Å; T84-Q88 HydrophobicContact CG2-CG 4.15Å; T84-Q88 WeakPolarHBondContact O-CB 3.4Å; T84-Q88 WeakPolarHBondContact O-CG 3.18Å; T84-Q88 PolarHBondContact O-N 3.3Å; T84-L150 HydrophobicContact CG2-CD1 4.08Å; T84-L150 HydrophobicContact CG2-CD2 3.89Å; T84-F158 HydrophobicContact CG2-CB 3.73Å; T84-F158 HydrophobicContact CG2-CD1 4.11Å; T84-F158 HydrophobicContact CG2-CD2 3.85Å; T84-F158 HydrophobicContact CG2-CE2 4.49Å; T84-F158 HydrophobicContact CG2-CG 3.63Å; T84-F163 HydrophobicContact CG2-CE1 4.46Å
85M95.6Very high95Very high18 Ų1840.6 Ų40.69%0.08922%0.216CC..Hα-helixtrans-60.5-41.6173.6-75.9-173.9-73.500111.9Y77 A81 L82 I83 I87 Q88 N89 F103 F108 F163Y77-M85 HydrophobicContact CD1-CE 4.16Å; Y77-M85 HydrophobicContact CD2-CE 3.88Å; Y77-M85 HydrophobicContact CE2-CE 4.28Å; Y77-M85 HydrophobicContact CG-CE 3.83Å; A81-M85 WeakPolarHBondContact O-CB 3.42Å; A81-M85 WeakPolarHBondContact O-CE 3.39Å; A81-M85 WeakPolarHBondContact O-CG 3.29Å; A81-M85 PolarHBondContact O-N 3.07Å; L82-M85 HydrophobicContact CD2-CE 4Å; I83-M85 VanDerWaalsContact C-N 3.34Å; I83-M85 PolarHBondContact O-N 3.27Å; M85-I87 PolarHBondContact O-N 3.1Å; M85-Q88 PolarHBondContact O-N 3.07Å; M85-N89 WeakPolarHBondContact O-CB 3.49Å; M85-N89 PolarHBondContact O-N 2.91Å; M85-N89 PolarHBondContact O-ND2 3.21Å; M85-F103 HydrophobicContact CB-CE1 3.79Å; M85-F103 HydrophobicContact CB-CZ 4.02Å; M85-F108 HydrophobicContact CE-CE2 4.16Å; M85-F108 HydrophobicContact CE-CZ 4.06Å; M85-F163 HydrophobicContact CG-CD1 3.82Å; M85-F163 HydrophobicContact CG-CE1 3.83Å; M85-F163 HydrophobicContact CG-CG 4.41Å; M85-F163 HydrophobicContact CG-CZ 4.41Å; M85-F163 HydrophobicContact SD-CD1 4.45Å; M85-F163 HydrophobicContact SD-CG 4.5Å
86A97.3Very high95.4Very high3 Ų341.2 Ų41.23%0.02522%0.22CC..Hα-helixtrans-63.1-40.7176.600000112.4L82 I83 T84 S90 I100 F103L82-A86 PolarHBondContact O-N 3.15Å; I83-A86 WeakPolarHBondContact O-CB 3.36Å; I83-A86 PolarHBondContact O-N 2.97Å; I83-A86 VanDerWaalsContact O-N 3.08Å; T84-A86 VanDerWaalsContact C-N 3.33Å; T84-A86 PolarHBondContact O-N 2.65Å; A86-S90 PolarHBondContact O-N 2.97Å; A86-I100 HydrophobicContact CB-CG1 4.23Å; A86-I100 HydrophobicContact CB-CG2 4.43Å; A86-F103 HydrophobicContact CB-CB 4.08Å; A86-F103 HydrophobicContact CB-CD1 3.47Å; A86-F103 VanDerWaalsContact CB-CD1 3.47Å; A86-F103 HydrophobicContact CB-CE1 4.03Å; A86-F103 HydrophobicContact CB-CG 3.83Å
87I96.3Very high95.7Very high2 Ų239.6 Ų39.61%0.0121%0.206CC..Hα-helixtrans-64.5-50.9174.7-66.2162.6000110.4I83 T84 M85 N89 S90 K93 V95 F132 L150I83-I87 HydrophobicContact CG2-CD1 3.77Å; I83-I87 HydrophobicContact CG2-CG1 4.43Å; I83-I87 WeakPolarHBondContact O-CG1 3.46Å; I83-I87 PolarHBondContact O-N 3.25Å; T84-I87 PolarHBondContact O-N 2.87Å; M85-I87 PolarHBondContact O-N 3.1Å; I87-N89 VanDerWaalsContact C-N 3.32Å; I87-N89 PolarHBondContact O-N 2.89Å; I87-S90 WeakPolarHBondContact O-CB 3.31Å; I87-S90 PolarHBondContact O-N 3.5Å; I87-S90 VanDerWaalsContact O-N 3.12Å; I87-S90 PolarHBondContact O-OG 3.1Å; I87-K93 VanDerWaalsContact CG2-O 3.27Å; I87-K93 WeakPolarHBondContact CG2-O 3.37Å; I87-V95 HydrophobicContact CB-CG1 4.49Å; I87-V95 HydrophobicContact CG1-CG1 3.62Å; I87-F132 HydrophobicContact CD1-CD1 3.69Å; I87-F132 HydrophobicContact CD1-CE1 3.84Å; I87-L150 HydrophobicContact CD1-CB 4.47Å; I87-L150 HydrophobicContact CG2-CB 4.11Å
88Q94.4Very high95.9Very high31 Ų3140.7 Ų40.715%0.14522%0.217CC..Hα-helixtrans-65.6-31.1-176.4-74.7174.6-32.200113.6T84 M85 K93 F163T84-Q88 HydrophobicContact CG2-CG 4.15Å; T84-Q88 WeakPolarHBondContact O-CB 3.4Å; T84-Q88 WeakPolarHBondContact O-CG 3.18Å; T84-Q88 PolarHBondContact O-N 3.3Å; M85-Q88 PolarHBondContact O-N 3.07Å; Q88-K93 PolarHBondContact O-NZ 2.7Å; Q88-F163 VanDerWaalsContact OE1-CE1 3.31Å; Q88-F163 VanDerWaalsContact OE1-CZ 3.27Å
89N94.9Very high96.1Very high82 Ų8239.8 Ų39.844%0.43921%0.214SC..Hα-helixtrans-82.4-11.2176.4-75.9-109.1000112.9M85 I87 F103 R107M85-N89 WeakPolarHBondContact O-CB 3.49Å; M85-N89 PolarHBondContact O-N 2.91Å; M85-N89 PolarHBondContact O-ND2 3.21Å; I87-N89 VanDerWaalsContact C-N 3.32Å; I87-N89 PolarHBondContact O-N 2.89Å; N89-F103 HydrophobicContact CB-CD2 4.34Å; N89-F103 HydrophobicContact CB-CE2 3.54Å; N89-F103 HydrophobicContact CB-CZ 4.05Å; N89-R107 PolarHBondContact OD1-NH2 3.34Å
90S95.6Very high96.2Very high17 Ų1737.3 Ų37.312%0.11920%0.204CC..SBendtrans-74.7141.3169.274.20000110.6A86 I87 K93 K94A86-S90 PolarHBondContact O-N 2.97Å; I87-S90 WeakPolarHBondContact O-CB 3.31Å; I87-S90 PolarHBondContact O-N 3.5Å; I87-S90 VanDerWaalsContact O-N 3.12Å; I87-S90 PolarHBondContact O-OG 3.1Å; S90-K93 PolarHBondContact O-N 3.36Å; S90-K93 WeakPolarHBondContact OG-CA 3.19Å; S90-K93 PolarHBondContact OG-N 3.01Å; S90-K94 PolarHBondContact OG-N 3.37Å; S90-K94 PolarHBondContact OG-O 3.43Å
91P94.9Very high96.3Very high115 Ų11536.6 Ų36.675%0.74720%0.199SC*.THydrogen-bonded Turntrans-62.7-48.6-17823.4-32.2000111.2K93P91-K93 PolarHBondContact O-N 3.38Å; P91-K93 VanDerWaalsContact O-N 3.12Å
92D94.9Very high96.4Very high100 Ų10041.8 Ų41.854%0.53522%0.224SC..THydrogen-bonded Turntrans-71.82.6179.7-69.241.3000114.8K94D92-K94 HydrophobicContact CB-CD 4.04Å; D92-K94 HydrophobicContact CB-CG 3.73Å; D92-K94 PolarHBondContact O-N 2.98Å; D92-K94 WeakPolarHBondContact OD2-CE 3.36Å; D92-K94 IonicContact OD2-NZ 2.65Å; D92-K94 PolarHBondContact OD2-NZ 3.35Å
93K95.6Very high96.5Very high97 Ų9742.9 Ų42.942%0.42223%0.228SC..SBendtrans49.928.6-171-52.3-62.6170.2178.30114I87 Q88 S90 P91I87-K93 VanDerWaalsContact CG2-O 3.27Å; I87-K93 WeakPolarHBondContact CG2-O 3.37Å; Q88-K93 PolarHBondContact O-NZ 2.7Å; S90-K93 PolarHBondContact O-N 3.36Å; S90-K93 WeakPolarHBondContact OG-CA 3.19Å; S90-K93 PolarHBondContact OG-N 3.01Å; P91-K93 PolarHBondContact O-N 3.38Å; P91-K93 VanDerWaalsContact O-N 3.12Å
94K95.7Very high96.5Very high67 Ų6742.9 Ų42.929%0.29123%0.228SC..EExtended strand (participates in β ladder)trans-144137.5177.476.4-164.4174.7-1240109.5S90 D92 Y147 W148 T149S90-K94 PolarHBondContact OG-N 3.37Å; S90-K94 PolarHBondContact OG-O 3.43Å; D92-K94 HydrophobicContact CB-CD 4.04Å; D92-K94 HydrophobicContact CB-CG 3.73Å; D92-K94 PolarHBondContact O-N 2.98Å; D92-K94 WeakPolarHBondContact OD2-CE 3.36Å; D92-K94 IonicContact OD2-NZ 2.65Å; D92-K94 PolarHBondContact OD2-NZ 3.35Å; K94-Y147 HydrophobicContact CB-CD1 4.4Å; K94-Y147 HydrophobicContact CD-CD1 4.28Å; K94-Y147 HydrophobicContact CD-CG 4.21Å; K94-Y147 HydrophobicContact CG-CD1 3.79Å; K94-Y147 HydrophobicContact CG-CE1 4.26Å; K94-Y147 HydrophobicContact CG-CG 4.12Å; K94-W148 WeakPolarHBondContact CA-O 3.03Å; K94-T149 HydrophobicContact CB-CG2 3.49Å; K94-T149 VanDerWaalsContact CB-CG2 3.49Å
95V97.3Very high96.5Very high16 Ų1644.8 Ų44.810%0.09724%0.238CC..EExtended strand (participates in β ladder)trans-136148.7-174.468.40000110.7I87 I100 W148I87-V95 HydrophobicContact CB-CG1 4.49Å; I87-V95 HydrophobicContact CG1-CG1 3.62Å; V95-I100 HydrophobicContact CB-CG1 4.45Å; V95-I100 HydrophobicContact CG1-CD1 3.89Å; V95-I100 HydrophobicContact CG1-CG1 3.46Å; V95-I100 VanDerWaalsContact CG1-CG1 3.46Å; V95-I100 HydrophobicContact CG2-CG1 4.16Å; V95-W148 PolarHBondContact N-O 3Å; V95-W148 PolarHBondContact O-N 2.97Å
96T97.6Very high96.6Very high32 Ų3250.7 Ų50.720%0.19627%0.265CS..EExtended strand (participates in β ladder)trans-82.2158.8173.568.30000110.4N98 G99 I100 Y147T96-N98 PolarHBondContact O-N 3.48Å; T96-N98 VanDerWaalsContact O-N 3.14Å; T96-G99 WeakPolarHBondContact O-CA 3.29Å; T96-G99 PolarHBondContact O-N 2.86Å; T96-G99 PolarHBondContact OG1-N 2.97Å; T96-G99 VanDerWaalsContact OG1-N 3.12Å; T96-I100 PolarHBondContact O-N 2.98Å; T96-Y147 HydrophobicContact CG2-CD1 3.88Å; T96-Y147 HydrophobicContact CG2-CE1 3.75Å
97L97.6Very high96.5Very high52 Ų5256.7 Ų56.727%0.27229%0.287SS..Hα-helixtrans-51.5-38.1173.2178.162.4000112.6Y101 I122 R123 L126L97-Y101 HydrophobicContact CD1-CD1 4.45Å; L97-Y101 HydrophobicContact CD1-CE1 3.62Å; L97-Y101 HydrophobicContact CG-CE1 4.07Å; L97-Y101 HydrophobicContact CG-CE2 4.13Å; L97-Y101 WeakPolarHBondContact O-CD1 3.32Å; L97-Y101 PolarHBondContact O-N 3.09Å; L97-I122 HydrophobicContact CD1-CG2 4.18Å; L97-R123 HydrophobicContact CD1-CG 4.04Å; L97-R123 HydrophobicContact CD2-CG 4.05Å; L97-L126 HydrophobicContact CD1-CD1 3.57Å
98N97.6Very high96.4Very high94 Ų9458 Ų5850%0.50329%0.293SS..Hα-helixtrans-71-34.4177.1-164.854000112.8T96 Y101 Q102T96-N98 PolarHBondContact O-N 3.48Å; T96-N98 VanDerWaalsContact O-N 3.14Å; N98-Y101 PolarHBondContact O-N 3.38Å; N98-Q102 PolarHBondContact ND2-NE2 3.14Å; N98-Q102 WeakPolarHBondContact O-CG 3.42Å; N98-Q102 PolarHBondContact O-N 3.07Å; N98-Q102 VanDerWaalsContact O-N 3.08Å
99G97.4Very high96.4Very high20 Ų2058.4 Ų58.421%0.20630%0.298CS..Hα-helixtrans-65.5-39.4174.200000112.5T96 Y101 Q102 F103T96-G99 WeakPolarHBondContact O-CA 3.29Å; T96-G99 PolarHBondContact O-N 2.86Å; T96-G99 PolarHBondContact OG1-N 2.97Å; T96-G99 VanDerWaalsContact OG1-N 3.12Å; G99-Y101 VanDerWaalsContact C-N 3.31Å; G99-Y101 PolarHBondContact O-N 3.1Å; G99-Q102 PolarHBondContact O-N 3.13Å; G99-F103 WeakPolarHBondContact O-CB 3.48Å; G99-F103 PolarHBondContact O-N 3.05Å
100I98Very high96.3Very high0 Ų058 Ų580%029%0.292CS..Hα-helixtrans-59.5-44.6173.3-60.7168000110.2I83 A86 V95 T96 Q102 I104 I122 L126I83-I100 HydrophobicContact CG1-CG2 4.14Å; I83-I100 HydrophobicContact CG2-CD1 4.18Å; A86-I100 HydrophobicContact CB-CG1 4.23Å; A86-I100 HydrophobicContact CB-CG2 4.43Å; V95-I100 HydrophobicContact CB-CG1 4.45Å; V95-I100 HydrophobicContact CG1-CD1 3.89Å; V95-I100 HydrophobicContact CG1-CG1 3.46Å; V95-I100 VanDerWaalsContact CG1-CG1 3.46Å; V95-I100 HydrophobicContact CG2-CG1 4.16Å; T96-I100 PolarHBondContact O-N 2.98Å; I100-Q102 PolarHBondContact O-N 3.4Å; I100-I104 HydrophobicContact CG2-CD1 3.7Å; I100-I104 HydrophobicContact CG2-CG1 4.47Å; I100-I104 WeakPolarHBondContact O-CB 3.42Å; I100-I104 VanDerWaalsContact O-CG1 3.26Å; I100-I104 WeakPolarHBondContact O-CG1 3.4Å; I100-I104 PolarHBondContact O-N 3.16Å; I100-I104 VanDerWaalsContact O-N 3.14Å; I100-I122 HydrophobicContact CG2-CD1 4.46Å; I100-I122 HydrophobicContact CG2-CG2 3.87Å; I100-L126 HydrophobicContact CD1-CD1 3.88Å; I100-L126 HydrophobicContact CD1-CD2 3.97Å; I100-L126 HydrophobicContact CD1-CG 4.5Å
101Y97.8Very high96.3Very high22 Ų2257.3 Ų57.39%0.08629%0.287CS..Hα-helixtrans-60.8-45.7177.5-59.1-20.9000112L97 N98 G99 M105 W118 Q119 I122 R123L97-Y101 HydrophobicContact CD1-CD1 4.45Å; L97-Y101 HydrophobicContact CD1-CE1 3.62Å; L97-Y101 HydrophobicContact CG-CE1 4.07Å; L97-Y101 HydrophobicContact CG-CE2 4.13Å; L97-Y101 WeakPolarHBondContact O-CD1 3.32Å; L97-Y101 PolarHBondContact O-N 3.09Å; N98-Y101 PolarHBondContact O-N 3.38Å; G99-Y101 VanDerWaalsContact C-N 3.31Å; G99-Y101 PolarHBondContact O-N 3.1Å; Y101-M105 WeakPolarHBondContact O-CE 3.3Å; Y101-M105 WeakPolarHBondContact O-CG 3.29Å; Y101-M105 PolarHBondContact O-N 2.98Å; Y101-M105 VanDerWaalsContact O-N 3.15Å; Y101-W118 HydrophobicContact CD1-CH2 4.31Å; Y101-W118 AromaticContact CD1-CZ3 3.93Å; Y101-W118 HydrophobicContact CD1-CZ3 3.93Å; Y101-W118 HydrophobicContact CG-CH2 4.44Å; Y101-Q119 HydrophobicContact CD1-CB 4.33Å; Y101-Q119 HydrophobicContact CD1-CG 3.7Å; Y101-Q119 HydrophobicContact CD2-CG 4.26Å; Y101-Q119 HydrophobicContact CE1-CB 3.73Å; Y101-Q119 HydrophobicContact CE1-CG 3.6Å; Y101-Q119 HydrophobicContact CE2-CB 4.5Å; Y101-Q119 HydrophobicContact CE2-CG 4.18Å; Y101-Q119 HydrophobicContact CG-CG 4.02Å; Y101-I122 HydrophobicContact CD1-CG2 4.39Å; Y101-I122 HydrophobicContact CE1-CB 4.3Å; Y101-I122 HydrophobicContact CE1-CG2 4.03Å; Y101-R123 WeakPolarHBondContact OH-CG 3.4Å; Y101-R123 PolarHBondContact OH-NH1 2.86Å; Y101-R123 VanDerWaalsContact OH-NH1 3.11Å
102Q97.9Very high96.3Very high110 Ų11057.7 Ų57.751%0.51427%0.274SS..Hα-helixtrans-64-52.7180-71.4-178.651.300111.6N98 G99 I100 I104 M105 E106N98-Q102 PolarHBondContact ND2-NE2 3.14Å; N98-Q102 WeakPolarHBondContact O-CG 3.42Å; N98-Q102 PolarHBondContact O-N 3.07Å; N98-Q102 VanDerWaalsContact O-N 3.08Å; G99-Q102 PolarHBondContact O-N 3.13Å; I100-Q102 PolarHBondContact O-N 3.4Å; Q102-I104 VanDerWaalsContact C-N 3.26Å; Q102-I104 PolarHBondContact O-N 3.29Å; Q102-M105 PolarHBondContact O-N 3.04Å; Q102-E106 WeakPolarHBondContact O-CB 3.49Å; Q102-E106 PolarHBondContact O-N 2.98Å
103F97.6Very high96.2Very high22 Ų2258.1 Ų58.110%0.09628%0.276CS..Hα-helixtrans-53.2-42.2178.8176.9-93.6000112.6M85 A86 N89 G99 R107M85-F103 HydrophobicContact CB-CE1 3.79Å; M85-F103 HydrophobicContact CB-CZ 4.02Å; A86-F103 HydrophobicContact CB-CB 4.08Å; A86-F103 HydrophobicContact CB-CD1 3.47Å; A86-F103 VanDerWaalsContact CB-CD1 3.47Å; A86-F103 HydrophobicContact CB-CE1 4.03Å; A86-F103 HydrophobicContact CB-CG 3.83Å; N89-F103 HydrophobicContact CB-CD2 4.34Å; N89-F103 HydrophobicContact CB-CE2 3.54Å; N89-F103 HydrophobicContact CB-CZ 4.05Å; G99-F103 WeakPolarHBondContact O-CB 3.48Å; G99-F103 PolarHBondContact O-N 3.05Å; F103-R107 HydrophobicContact CD2-CG 4.36Å; F103-R107 HydrophobicContact CE1-CG 4.13Å; F103-R107 HydrophobicContact CE2-CG 3.93Å; F103-R107 HydrophobicContact CZ-CG 3.82Å; F103-R107 WeakPolarHBondContact O-CB 3.38Å; F103-R107 PolarHBondContact O-N 2.99Å
104I97.3Very high96Very high1 Ų159.6 Ų59.61%0.00529%0.288CS..Hα-helixtrans-68-43.1178.7-68.3172.4000111.5L82 I100 Q102 E106 F108 Y111 W118 I122L82-I104 HydrophobicContact CB-CD1 3.86Å; L82-I104 HydrophobicContact CB-CG1 4.21Å; I100-I104 HydrophobicContact CG2-CD1 3.7Å; I100-I104 HydrophobicContact CG2-CG1 4.47Å; I100-I104 WeakPolarHBondContact O-CB 3.42Å; I100-I104 VanDerWaalsContact O-CG1 3.26Å; I100-I104 WeakPolarHBondContact O-CG1 3.4Å; I100-I104 PolarHBondContact O-N 3.16Å; I100-I104 VanDerWaalsContact O-N 3.14Å; Q102-I104 VanDerWaalsContact C-N 3.26Å; Q102-I104 PolarHBondContact O-N 3.29Å; I104-E106 VanDerWaalsContact C-N 3.31Å; I104-E106 PolarHBondContact O-N 3.5Å; I104-F108 WeakPolarHBondContact O-CB 3.27Å; I104-F108 PolarHBondContact O-N 2.83Å; I104-Y111 HydrophobicContact CG2-CD2 3.49Å; I104-Y111 VanDerWaalsContact CG2-CD2 3.49Å; I104-Y111 HydrophobicContact CG2-CE2 4.27Å; I104-Y111 HydrophobicContact CG2-CG 3.65Å; I104-W118 HydrophobicContact CB-CZ3 4.43Å; I104-W118 HydrophobicContact CD1-CZ3 4.42Å; I104-W118 HydrophobicContact CG2-CH2 4.44Å; I104-W118 HydrophobicContact CG2-CZ3 4.23Å; I104-I122 HydrophobicContact CD1-CD1 3.59Å; I104-I122 HydrophobicContact CD1-CG1 4.21Å
105M96.1Very high95.9Very high39 Ų3961 Ų6119%0.19229%0.294CS..Hα-helixtrans-69.8-28.2178-68.9-175.6-61.300113.3Y101 Q102 R112 K115 W118Y101-M105 WeakPolarHBondContact O-CE 3.3Å; Y101-M105 WeakPolarHBondContact O-CG 3.29Å; Y101-M105 PolarHBondContact O-N 2.98Å; Y101-M105 VanDerWaalsContact O-N 3.15Å; Q102-M105 PolarHBondContact O-N 3.04Å; M105-R112 HydrophobicContact CB-CG 4.25Å; M105-R112 PolarHBondContact O-NE 3.21Å; M105-R112 PolarHBondContact O-NH2 3.19Å; M105-K115 HydrophobicContact SD-CD 4.08Å; M105-K115 PolarHBondContact SD-NZ 3.11Å; M105-W118 HydrophobicContact CG-CH2 3.89Å; M105-W118 HydrophobicContact CG-CZ2 3.62Å; M105-W118 HydrophobicContact SD-CH2 4.35Å; M105-W118 HydrophobicContact SD-CZ2 3.95Å
106E96.4Very high95.7Very high142 Ų14266.8 Ų66.866%0.66432%0.321SS*.Hα-helixtrans-73.1-60.4175.9-174.7-176.3178.600110.7Q102 I104 F108 R112Q102-E106 WeakPolarHBondContact O-CB 3.49Å; Q102-E106 PolarHBondContact O-N 2.98Å; I104-E106 VanDerWaalsContact C-N 3.31Å; I104-E106 PolarHBondContact O-N 3.5Å; E106-F108 PolarHBondContact O-N 3.45Å; E106-R112 PolarHBondContact O-NH2 3.32Å
107R95.1Very high95.7Very high130 Ų13067 Ų6749%0.49133%0.329SS..Hα-helixtrans-63.9-32.3-179.3-82.5-73.8-133.1-93.1-6.2114.4N89 F103N89-R107 PolarHBondContact OD1-NH2 3.34Å; F103-R107 HydrophobicContact CD2-CG 4.36Å; F103-R107 HydrophobicContact CE1-CG 4.13Å; F103-R107 HydrophobicContact CE2-CG 3.93Å; F103-R107 HydrophobicContact CZ-CG 3.82Å; F103-R107 WeakPolarHBondContact O-CB 3.38Å; F103-R107 PolarHBondContact O-N 2.99Å
108F94.4Very high95.6Very high30 Ų3065.2 Ų65.213%0.13232%0.319CS..  trans-134.791.1-167.9-58.2-64.1000111.1P75 Y77 L82 M85 I104 E106 F110 Y111P75-F108 HydrophobicContact CB-CD1 3.99Å; P75-F108 HydrophobicContact CB-CE1 4.16Å; P75-F108 HydrophobicContact CG-CB 3.91Å; P75-F108 HydrophobicContact CG-CD1 3.44Å; P75-F108 VanDerWaalsContact CG-CD1 3.44Å; P75-F108 HydrophobicContact CG-CE1 4.12Å; P75-F108 HydrophobicContact CG-CG 3.76Å; Y77-F108 AromaticContact CD2-CE1 3.99Å; Y77-F108 HydrophobicContact CD2-CE1 3.99Å; Y77-F108 AromaticContact CD2-CZ 3.73Å; Y77-F108 HydrophobicContact CD2-CZ 3.73Å; Y77-F108 AromaticContact CE2-CE1 3.8Å; Y77-F108 HydrophobicContact CE2-CE1 3.8Å; Y77-F108 AromaticContact CE2-CZ 3.73Å; Y77-F108 HydrophobicContact CE2-CZ 3.73Å; L82-F108 HydrophobicContact CD2-CD2 3.63Å; L82-F108 HydrophobicContact CD2-CE2 3.35Å; L82-F108 HydrophobicContact CD2-CZ 4.15Å; M85-F108 HydrophobicContact CE-CE2 4.16Å; M85-F108 HydrophobicContact CE-CZ 4.06Å; I104-F108 WeakPolarHBondContact O-CB 3.27Å; I104-F108 PolarHBondContact O-N 2.83Å; E106-F108 PolarHBondContact O-N 3.45Å; F108-F110 PolarHBondContact O-N 2.79Å; F108-F110 VanDerWaalsContact O-N 3.08Å; F108-Y111 HydrophobicContact CB-CD2 3.82Å; F108-Y111 HydrophobicContact CB-CE2 4.4Å; F108-Y111 PolarHBondContact O-N 3Å
109P93.8Very high95.6Very high39 Ų3961.9 Ų61.925%0.25330%0.3SS..G310 helixtrans-52.7-33.8-175.2-30.737.9000114.9D71 Y111 R112D71-P109 HydrophobicContact CB-CB 4.31Å; D71-P109 HydrophobicContact CB-CG 4.09Å; P109-Y111 PolarHBondContact O-N 2.65Å; P109-R112 VanDerWaalsContact O-CB 3.28Å; P109-R112 WeakPolarHBondContact O-CB 3.15Å; P109-R112 VanDerWaalsContact O-CG 3.3Å; P109-R112 WeakPolarHBondContact O-CG 3.42Å; P109-R112 PolarHBondContact O-N 2.76Å
110F93.9Very high95.6Very high72 Ų7265.3 Ų65.332%0.31631%0.314SS..G310 helixtrans-44.2-33.8170.1174.7-99.8000115.4D71 M72 K74 F108D71-F110 PolarHBondContact O-N 2.96Å; M72-F110 VanDerWaalsContact O-CD2 3.29Å; M72-F110 WeakPolarHBondContact O-CD2 3.42Å; K74-F110 HydrophobicContact CB-CD1 4.05Å; K74-F110 HydrophobicContact CB-CD2 4.29Å; K74-F110 HydrophobicContact CB-CE1 3.7Å; K74-F110 HydrophobicContact CB-CE2 3.94Å; K74-F110 HydrophobicContact CB-CG 4.34Å; K74-F110 HydrophobicContact CB-CZ 3.65Å; K74-F110 HydrophobicContact CD-CE1 3.72Å; K74-F110 HydrophobicContact CD-CZ 3.87Å; K74-F110 HydrophobicContact CG-CD1 4Å; K74-F110 HydrophobicContact CG-CE1 3.5Å; K74-F110 HydrophobicContact CG-CZ 3.87Å; F108-F110 PolarHBondContact O-N 2.79Å; F108-F110 VanDerWaalsContact O-N 3.08Å
111Y95.7Very high95.6Very high4 Ų467 Ų672%0.01633%0.326CS..G310 helixtrans-90.86.2-179.4-67.5-69.4000113.9K74 P75 Y79 L82 I104 F108 P109 D113 W118K74-Y111 VanDerWaalsContact CE-OH 3.27Å; K74-Y111 WeakPolarHBondContact CE-OH 3.49Å; P75-Y111 HydrophobicContact CG-CE2 4.15Å; Y79-Y111 HydrophobicContact CE1-CE1 4.26Å; L82-Y111 HydrophobicContact CD1-CE2 3.78Å; I104-Y111 HydrophobicContact CG2-CD2 3.49Å; I104-Y111 VanDerWaalsContact CG2-CD2 3.49Å; I104-Y111 HydrophobicContact CG2-CE2 4.27Å; I104-Y111 HydrophobicContact CG2-CG 3.65Å; F108-Y111 HydrophobicContact CB-CD2 3.82Å; F108-Y111 HydrophobicContact CB-CE2 4.4Å; F108-Y111 PolarHBondContact O-N 3Å; P109-Y111 PolarHBondContact O-N 2.65Å; Y111-D113 VanDerWaalsContact C-N 3.29Å; Y111-W118 HydrophobicContact CD1-CB 3.97Å; Y111-W118 AromaticContact CD1-CD1 3.82Å; Y111-W118 HydrophobicContact CD1-CD2 4.03Å; Y111-W118 AromaticContact CD1-CG 3.69Å; Y111-W118 HydrophobicContact CD1-CG 3.69Å; Y111-W118 HydrophobicContact CE1-CB 4.17Å; Y111-W118 HydrophobicContact CE1-CG 4.37Å; Y111-W118 WeakPolarHBondContact O-CZ2 3.31Å; Y111-W118 PolarHBondContact O-NE1 3.43Å
112R95.1Very high95.6Very high122 Ų12266 Ų6646%0.4632%0.322SS..SBendtrans-67.2-34.7173.8-67.9173.4-175.7179.43.7111M105 E106 P109 K115M105-R112 HydrophobicContact CB-CG 4.25Å; M105-R112 PolarHBondContact O-NE 3.21Å; M105-R112 PolarHBondContact O-NH2 3.19Å; E106-R112 PolarHBondContact O-NH2 3.32Å; P109-R112 VanDerWaalsContact O-CB 3.28Å; P109-R112 WeakPolarHBondContact O-CB 3.15Å; P109-R112 VanDerWaalsContact O-CG 3.3Å; P109-R112 WeakPolarHBondContact O-CG 3.42Å; P109-R112 PolarHBondContact O-N 2.76Å; R112-K115 WeakPolarHBondContact O-CG 3.48Å; R112-K115 PolarHBondContact O-NZ 3.38Å
113D91.9Very high95.6Very high110 Ų11064.7 Ų64.759%0.58831%0.312SS*.SBendtrans-89.8172.1177.9-58.1-46.5000112.9Y111 K115 W118Y111-D113 VanDerWaalsContact C-N 3.29Å; D113-K115 PolarHBondContact O-N 3.28Å; D113-K115 VanDerWaalsContact O-N 3.08Å; D113-W118 PolarHBondContact O-NE1 3.28Å; D113-W118 VanDerWaalsContact O-NE1 3.13Å
114N91.4Very high95.7Very high127 Ų12768.6 Ų68.668%0.67933%0.331SS*.  trans42.447.4179.5-156.1-54.6000113.6Q116 G117N114-Q116 PolarHBondContact O-N 3.19Å; N114-Q116 VanDerWaalsContact O-N 3.13Å; N114-G117 PolarHBondContact O-N 3.07Å; N114-G117 PolarHBondContact OD1-N 2.89Å
115K93.1Very high95.7Very high96 Ų9669.8 Ų69.842%0.41734%0.337SS..Hα-helixtrans-51.6-42.7-171.7-60.1-168.3-162-61.90112.6M105 R112 D113 G117 Q119M105-K115 HydrophobicContact SD-CD 4.08Å; M105-K115 PolarHBondContact SD-NZ 3.11Å; R112-K115 WeakPolarHBondContact O-CG 3.48Å; R112-K115 PolarHBondContact O-NZ 3.38Å; D113-K115 PolarHBondContact O-N 3.28Å; D113-K115 VanDerWaalsContact O-N 3.08Å; K115-G117 PolarHBondContact O-N 3.44Å; K115-Q119 WeakPolarHBondContact O-CB 3.3Å; K115-Q119 WeakPolarHBondContact O-CG 3.41Å; K115-Q119 PolarHBondContact O-N 3.08Å
116Q95.1Very high95.8Very high138 Ų13868.1 Ų68.165%0.64533%0.329SS*.Hα-helixtrans-61-44.2-175.8-62.9-62.3-8.800113.6N114 N120N114-Q116 PolarHBondContact O-N 3.19Å; N114-Q116 VanDerWaalsContact O-N 3.13Å; Q116-N120 WeakPolarHBondContact O-CB 3.41Å; Q116-N120 PolarHBondContact O-N 2.93Å
117G95.6Very high95.8Very high37 Ų3766 Ų6638%0.38133%0.329SS..Hα-helixtrans-66.8-47.7-174.600000113.2N114 K115 S121N114-G117 PolarHBondContact O-N 3.07Å; N114-G117 PolarHBondContact OD1-N 2.89Å; K115-G117 PolarHBondContact O-N 3.44Å; G117-S121 PolarHBondContact O-N 3.11Å; G117-S121 PolarHBondContact O-OG 3.49Å
118W96.6Very high95.8Very high14 Ų1464.5 Ų64.55%0.05333%0.331CS..Hα-helixtrans-78.5-32.7179.369-103.1000112.5Y79 Y101 I104 M105 Y111 D113 N120 S121 I122Y79-W118 HydrophobicContact CE1-CB 4.35Å; Y101-W118 HydrophobicContact CD1-CH2 4.31Å; Y101-W118 AromaticContact CD1-CZ3 3.93Å; Y101-W118 HydrophobicContact CD1-CZ3 3.93Å; Y101-W118 HydrophobicContact CG-CH2 4.44Å; I104-W118 HydrophobicContact CB-CZ3 4.43Å; I104-W118 HydrophobicContact CD1-CZ3 4.42Å; I104-W118 HydrophobicContact CG2-CH2 4.44Å; I104-W118 HydrophobicContact CG2-CZ3 4.23Å; M105-W118 HydrophobicContact CG-CH2 3.89Å; M105-W118 HydrophobicContact CG-CZ2 3.62Å; M105-W118 HydrophobicContact SD-CH2 4.35Å; M105-W118 HydrophobicContact SD-CZ2 3.95Å; Y111-W118 HydrophobicContact CD1-CB 3.97Å; Y111-W118 AromaticContact CD1-CD1 3.82Å; Y111-W118 HydrophobicContact CD1-CD2 4.03Å; Y111-W118 AromaticContact CD1-CG 3.69Å; Y111-W118 HydrophobicContact CD1-CG 3.69Å; Y111-W118 HydrophobicContact CE1-CB 4.17Å; Y111-W118 HydrophobicContact CE1-CG 4.37Å; Y111-W118 WeakPolarHBondContact O-CZ2 3.31Å; Y111-W118 PolarHBondContact O-NE1 3.43Å; D113-W118 PolarHBondContact O-NE1 3.28Å; D113-W118 VanDerWaalsContact O-NE1 3.13Å; W118-N120 VanDerWaalsContact C-N 3.3Å; W118-N120 PolarHBondContact O-N 2.95Å; W118-S121 CarbonylContact O-C 3.59Å; W118-S121 WeakPolarHBondContact O-CA 3.34Å; W118-S121 VanDerWaalsContact O-CB 3.3Å; W118-S121 WeakPolarHBondContact O-CB 3.44Å; W118-S121 PolarHBondContact O-N 2.95Å; W118-S121 VanDerWaalsContact O-N 3.1Å; W118-I122 HydrophobicContact CE3-CG1 3.93Å; W118-I122 HydrophobicContact CZ3-CG1 4.22Å; W118-I122 WeakPolarHBondContact O-CG1 3.37Å; W118-I122 PolarHBondContact O-N 3.36Å
119Q97.9Very high95.8Very high24 Ų2464.4 Ų64.411%0.11233%0.332CS..Hα-helixtrans-65-34.7174.3-71.6179.81.300111.9Y101 K115 S121 I122 R123Y101-Q119 HydrophobicContact CD1-CB 4.33Å; Y101-Q119 HydrophobicContact CD1-CG 3.7Å; Y101-Q119 HydrophobicContact CD2-CG 4.26Å; Y101-Q119 HydrophobicContact CE1-CB 3.73Å; Y101-Q119 HydrophobicContact CE1-CG 3.6Å; Y101-Q119 HydrophobicContact CE2-CB 4.5Å; Y101-Q119 HydrophobicContact CE2-CG 4.18Å; Y101-Q119 HydrophobicContact CG-CG 4.02Å; K115-Q119 WeakPolarHBondContact O-CB 3.3Å; K115-Q119 WeakPolarHBondContact O-CG 3.41Å; K115-Q119 PolarHBondContact O-N 3.08Å; Q119-S121 VanDerWaalsContact C-N 3.33Å; Q119-I122 PolarHBondContact O-N 3.18Å; Q119-R123 WeakPolarHBondContact O-CG 3.37Å; Q119-R123 PolarHBondContact O-N 3.4Å
120N97.8Very high95.8Very high93 Ų9371 Ų7150%0.49736%0.359SS..Hα-helixtrans-62.9-42.1170.7-156.945.8000111.8Q116 W118 I122 R123 H124Q116-N120 WeakPolarHBondContact O-CB 3.41Å; Q116-N120 PolarHBondContact O-N 2.93Å; W118-N120 VanDerWaalsContact C-N 3.3Å; W118-N120 PolarHBondContact O-N 2.95Å; N120-I122 VanDerWaalsContact C-N 3.31Å; N120-I122 PolarHBondContact O-N 2.86Å; N120-R123 PolarHBondContact O-N 3.44Å; N120-R123 PolarHBondContact OD1-NH2 3.07Å; N120-H124 WeakPolarHBondContact O-CB 3.22Å; N120-H124 PolarHBondContact O-N 2.8Å
121S97.7Very high95.8Very high35 Ų3568.8 Ų68.825%0.24535%0.352CS..Hα-helixtrans-60.4-38.5174.2-53.20000112.5G117 W118 Q119 N125G117-S121 PolarHBondContact O-N 3.11Å; G117-S121 PolarHBondContact O-OG 3.49Å; W118-S121 CarbonylContact O-C 3.59Å; W118-S121 WeakPolarHBondContact O-CA 3.34Å; W118-S121 VanDerWaalsContact O-CB 3.3Å; W118-S121 WeakPolarHBondContact O-CB 3.44Å; W118-S121 PolarHBondContact O-N 2.95Å; W118-S121 VanDerWaalsContact O-N 3.1Å; Q119-S121 VanDerWaalsContact C-N 3.33Å; S121-N125 WeakPolarHBondContact O-CB 3.44Å; S121-N125 PolarHBondContact O-N 2.81Å; S121-N125 PolarHBondContact O-ND2 2.95Å
122I98.1Very high95.8Very high0 Ų069 Ų690%035%0.353CS..Hα-helixtrans-64.9-50.6174.9-68-68.4000111Y79 I83 L97 I100 Y101 I104 W118 Q119 N120 H124 N125 L126Y79-I122 HydrophobicContact CD1-CD1 3.89Å; Y79-I122 HydrophobicContact CD1-CG1 4.45Å; Y79-I122 HydrophobicContact CG-CD1 4.48Å; I83-I122 HydrophobicContact CD1-CD1 4.09Å; I83-I122 HydrophobicContact CD1-CG2 4.37Å; I83-I122 HydrophobicContact CG1-CD1 3.83Å; I83-I122 HydrophobicContact CG1-CG2 4.33Å; L97-I122 HydrophobicContact CD1-CG2 4.18Å; I100-I122 HydrophobicContact CG2-CD1 4.46Å; I100-I122 HydrophobicContact CG2-CG2 3.87Å; Y101-I122 HydrophobicContact CD1-CG2 4.39Å; Y101-I122 HydrophobicContact CE1-CB 4.3Å; Y101-I122 HydrophobicContact CE1-CG2 4.03Å; I104-I122 HydrophobicContact CD1-CD1 3.59Å; I104-I122 HydrophobicContact CD1-CG1 4.21Å; W118-I122 HydrophobicContact CE3-CG1 3.93Å; W118-I122 HydrophobicContact CZ3-CG1 4.22Å; W118-I122 WeakPolarHBondContact O-CG1 3.37Å; W118-I122 PolarHBondContact O-N 3.36Å; Q119-I122 PolarHBondContact O-N 3.18Å; N120-I122 VanDerWaalsContact C-N 3.31Å; N120-I122 PolarHBondContact O-N 2.86Å; I122-H124 VanDerWaalsContact C-N 3.28Å; I122-H124 PolarHBondContact O-N 3.41Å; I122-N125 PolarHBondContact O-N 2.97Å; I122-N125 VanDerWaalsContact O-N 3.11Å; I122-L126 HydrophobicContact CG2-CD1 3.97Å; I122-L126 WeakPolarHBondContact O-CG 3.4Å; I122-L126 PolarHBondContact O-N 3.08Å
123R98.1Very high95.9Very high84 Ų8466.2 Ų66.232%0.31735%0.35SS..Hα-helixtrans-55.2-44.5177.4-70.3-175.5-60.5-97.613112L97 Y101 Q119 N120 L126 S127L97-R123 HydrophobicContact CD1-CG 4.04Å; L97-R123 HydrophobicContact CD2-CG 4.05Å; Y101-R123 WeakPolarHBondContact OH-CG 3.4Å; Y101-R123 PolarHBondContact OH-NH1 2.86Å; Y101-R123 VanDerWaalsContact OH-NH1 3.11Å; Q119-R123 WeakPolarHBondContact O-CG 3.37Å; Q119-R123 PolarHBondContact O-N 3.4Å; N120-R123 PolarHBondContact O-N 3.44Å; N120-R123 PolarHBondContact OD1-NH2 3.07Å; R123-L126 PolarHBondContact O-N 3.27Å; R123-S127 PolarHBondContact O-N 3.02Å; R123-S127 PolarHBondContact O-OG 3.23Å
124H98.1Very high96.1Very high104 Ų10467.4 Ų67.448%0.48135%0.35SS..Hα-helixtrans-65-40176.6172.961.4000113.1N120 I122 S127 L128N120-H124 WeakPolarHBondContact O-CB 3.22Å; N120-H124 PolarHBondContact O-N 2.8Å; I122-H124 VanDerWaalsContact C-N 3.28Å; I122-H124 PolarHBondContact O-N 3.41Å; H124-S127 PolarHBondContact O-N 2.65Å; H124-S127 PolarHBondContact O-OG 3.37Å; H124-L128 WeakPolarHBondContact CE1-CD1 3.48Å; H124-L128 WeakPolarHBondContact O-CB 3.39Å; H124-L128 PolarHBondContact O-N 3.12Å
125N97.9Very high96.4Very high26 Ų2663.7 Ų63.714%0.13933%0.331CS..Hα-helixtrans-70.3-31.4178.3-84.6-101.8000112.7I83 S121 I122 S127 N129I83-N125 HydrophobicContact CD1-CB 3.86Å; S121-N125 WeakPolarHBondContact O-CB 3.44Å; S121-N125 PolarHBondContact O-N 2.81Å; S121-N125 PolarHBondContact O-ND2 2.95Å; I122-N125 PolarHBondContact O-N 2.97Å; I122-N125 VanDerWaalsContact O-N 3.11Å; N125-S127 VanDerWaalsContact C-N 3.34Å; N125-N129 PolarHBondContact O-N 3.12Å; N125-N129 PolarHBondContact O-ND2 3.29Å; N125-N129 PolarHBondContact OD1-ND2 3.03Å
126L97.6Very high96.4Very high4 Ų463.9 Ų63.92%0.02134%0.342CS..Hα-helixtrans-66.9-31.5174.2-71.7166.5000113I83 L97 I100 I122 R123 F132 W148I83-L126 HydrophobicContact CD1-CD2 4.03Å; I83-L126 HydrophobicContact CD1-CG 3.97Å; I83-L126 HydrophobicContact CG1-CD2 4.4Å; I83-L126 HydrophobicContact CG2-CD2 3.65Å; L97-L126 HydrophobicContact CD1-CD1 3.57Å; I100-L126 HydrophobicContact CD1-CD1 3.88Å; I100-L126 HydrophobicContact CD1-CD2 3.97Å; I100-L126 HydrophobicContact CD1-CG 4.5Å; I122-L126 HydrophobicContact CG2-CD1 3.97Å; I122-L126 WeakPolarHBondContact O-CG 3.4Å; I122-L126 PolarHBondContact O-N 3.08Å; R123-L126 PolarHBondContact O-N 3.27Å; L126-F132 HydrophobicContact CD2-CB 4.03Å; L126-F132 HydrophobicContact CD2-CD2 4.2Å; L126-F132 HydrophobicContact CD2-CG 4.04Å; L126-W148 HydrophobicContact CB-CD2 4.31Å; L126-W148 HydrophobicContact CB-CE3 4.2Å; L126-W148 HydrophobicContact CB-CH2 3.88Å; L126-W148 HydrophobicContact CB-CZ2 4.01Å; L126-W148 HydrophobicContact CB-CZ3 3.98Å; L126-W148 HydrophobicContact CD1-CD2 4.36Å; L126-W148 HydrophobicContact CD1-CG 4.5Å; L126-W148 HydrophobicContact CD2-CB 4.29Å; L126-W148 HydrophobicContact CD2-CD2 3.84Å; L126-W148 HydrophobicContact CD2-CE3 3.95Å; L126-W148 HydrophobicContact CD2-CG 3.99Å; L126-W148 HydrophobicContact CG-CD2 4.4Å; L126-W148 WeakPolarHBondContact O-CZ3 3.37Å
127S96.7Very high96.3Very high96 Ų9660.4 Ų60.467%0.67132%0.323SS*.Hα-helixtrans-95.9-14.1177.960.20000114.9R123 H124 N125R123-S127 PolarHBondContact O-N 3.02Å; R123-S127 PolarHBondContact O-OG 3.23Å; H124-S127 PolarHBondContact O-N 2.65Å; H124-S127 PolarHBondContact O-OG 3.37Å; N125-S127 VanDerWaalsContact C-N 3.34Å
128L95.6Very high96Very high99 Ų9962.6 Ų62.652%0.51833%0.326SS..Hα-helixtrans-92.7-28.2-179.7-179.7146.5000114H124H124-L128 WeakPolarHBondContact CE1-CD1 3.48Å; H124-L128 WeakPolarHBondContact O-CB 3.39Å; H124-L128 PolarHBondContact O-N 3.12Å
129N94.3Very high95.5Very high29 Ų2969.3 Ų69.316%0.15536%0.363CS..  trans-108.9120.8-174-55.6-90.3000110.5I80 N125 C131 F132I80-N129 VanDerWaalsContact CD1-OD1 3.29Å; I80-N129 WeakPolarHBondContact CD1-OD1 3.3Å; N125-N129 PolarHBondContact O-N 3.12Å; N125-N129 PolarHBondContact O-ND2 3.29Å; N125-N129 PolarHBondContact OD1-ND2 3.03Å; N129-C131 PolarHBondContact O-N 3.29Å; N129-F132 HydrophobicContact CB-CD2 4.21Å; N129-F132 HydrophobicContact CB-CE2 4.41Å; N129-F132 PolarHBondContact O-N 3.1Å; N129-F132 VanDerWaalsContact O-N 3.1Å
130E93.2Very high94.9Very high178 Ų17876.8 Ų76.883%0.83240%0.395SS*.THydrogen-bonded Turntrans-56.7-25.1-179.5-65.4164148.300113.1F132E130-F132 PolarHBondContact O-N 3.32Å
131C93.8Very high94.2Very high25 Ų2579.7 Ų79.717%0.16940%0.403CS..THydrogen-bonded Turntrans-55.7-17.2174.3-46.60000114.6N129 L150 D151N129-C131 PolarHBondContact O-N 3.29Å; C131-L150 HydrophobicContact CB-CD1 4.39Å; C131-L150 WeakPolarHBondContact O-CA 3.46Å; C131-D151 PolarHBondContact O-N 3.31Å
132F96.5Very high93.4Very high9 Ų984.1 Ų84.14%0.03943%0.432CS..EExtended strand (participates in β ladder)trans-112.2102.5-178.2-58-49.7000111.6I80 I83 I87 L126 N129 E130 W148 T149 L150I80-F132 HydrophobicContact CB-CE2 4.35Å; I80-F132 HydrophobicContact CB-CZ 4.32Å; I80-F132 HydrophobicContact CG1-CE2 4.43Å; I80-F132 HydrophobicContact CG2-CE2 3.96Å; I80-F132 HydrophobicContact CG2-CZ 3.67Å; I83-F132 HydrophobicContact CB-CE1 4.01Å; I83-F132 HydrophobicContact CB-CE2 4.11Å; I83-F132 HydrophobicContact CB-CZ 3.66Å; I83-F132 HydrophobicContact CD1-CD2 4.39Å; I83-F132 HydrophobicContact CD1-CE2 3.89Å; I83-F132 HydrophobicContact CD1-CZ 4.32Å; I83-F132 HydrophobicContact CG2-CD1 3.71Å; I83-F132 HydrophobicContact CG2-CD2 4.26Å; I83-F132 HydrophobicContact CG2-CE1 3.38Å; I83-F132 HydrophobicContact CG2-CE2 3.95Å; I83-F132 HydrophobicContact CG2-CG 4.15Å; I83-F132 HydrophobicContact CG2-CZ 3.51Å; I87-F132 HydrophobicContact CD1-CD1 3.69Å; I87-F132 HydrophobicContact CD1-CE1 3.84Å; L126-F132 HydrophobicContact CD2-CB 4.03Å; L126-F132 HydrophobicContact CD2-CD2 4.2Å; L126-F132 HydrophobicContact CD2-CG 4.04Å; N129-F132 HydrophobicContact CB-CD2 4.21Å; N129-F132 HydrophobicContact CB-CE2 4.41Å; N129-F132 PolarHBondContact O-N 3.1Å; N129-F132 VanDerWaalsContact O-N 3.1Å; E130-F132 PolarHBondContact O-N 3.32Å; F132-W148 HydrophobicContact CB-CE3 4.13Å; F132-W148 HydrophobicContact CB-CZ3 4.45Å; F132-W148 WeakPolarHBondContact O-CZ3 3.45Å; F132-T149 WeakPolarHBondContact CA-O 3.44Å; F132-L150 HydrophobicContact CD1-CD1 4.24Å; F132-L150 HydrophobicContact CE1-CD1 3.92Å
133V96.8Very high92.9Very high63 Ų6386 Ų8638%0.38245%0.451SS..EExtended strand (participates in β ladder)trans-89.3131.2-178.4-176.20000110.1V135 W148 T149 D151V133-V135 HydrophobicContact CG1-CG2 4.43Å; V133-V135 PolarHBondContact O-N 3.4Å; V133-W148 WeakPolarHBondContact O-CA 3.38Å; V133-T149 PolarHBondContact N-O 3Å; V133-T149 PolarHBondContact O-N 2.82Å; V133-T149 PolarHBondContact O-OG1 2.95Å; V133-D151 HydrophobicContact CG2-CB 3.96Å
134K97.3Very high92.6Very high135 Ų13591.6 Ų91.659%0.58748%0.478SS*.EExtended strand (participates in β ladder)trans-85.5106.3176.4-177.6-169.4170-166.70109.9S146 W148K134-S146 WeakPolarHBondContact CE-OG 3.26Å; K134-W148 HydrophobicContact CB-CE3 4.06Å; K134-W148 HydrophobicContact CB-CH2 3.89Å; K134-W148 HydrophobicContact CB-CZ2 4.32Å; K134-W148 HydrophobicContact CB-CZ3 3.74Å; K134-W148 HydrophobicContact CG-CH2 4.28Å; K134-W148 HydrophobicContact CG-CZ2 4.26Å
135V96Very high92.3Very high48 Ų4889.1 Ų89.129%0.29148%0.481SS..EExtended strand (participates in β ladder)trans-96.5130-178.7-176.60000110.1V133 S146 Y147 T149V133-V135 HydrophobicContact CG1-CG2 4.43Å; V133-V135 PolarHBondContact O-N 3.4Å; V135-S146 WeakPolarHBondContact O-CB 3.44Å; V135-Y147 PolarHBondContact N-O 2.9Å; V135-Y147 PolarHBondContact O-N 3.3Å; V135-T149 HydrophobicContact CG2-CG2 3.78Å; V135-T149 VanDerWaalsContact CG2-OG1 3.31Å; V135-T149 WeakPolarHBondContact CG2-OG1 3.27Å
136P94.7Very high92.2Very high100 Ų10089.4 Ų89.465%0.64948%0.484SS*.PPolyproline II helixtrans-61.3164.6174.326.9-34.4000111.8
137R92Very high92.2Very high65 Ų6592.2 Ų92.225%0.24550%0.495CS..PPolyproline II helixtrans-85.8157.4168-71.6-170.4178.6-113.76.6109.7G143 K144 G145 Y147R137-G143 VanDerWaalsContact CD-O 3.31Å; R137-G143 WeakPolarHBondContact CD-O 3.45Å; R137-G143 PolarHBondContact NE-O 3.03Å; R137-K144 PolarHBondContact NH2-O 3.04Å; R137-G145 WeakPolarHBondContact CD-O 3.3Å; R137-G145 PolarHBondContact NE-O 3.12Å; R137-Y147 HydrophobicContact CG-CD2 4.03Å; R137-Y147 HydrophobicContact CG-CE2 3.87Å
138D89.5Confident92.2Very high84 Ų8489.5 Ų89.545%0.44947%0.47SS..PPolyproline II helixtrans-67.1123.3160.1174.48.5000108.8K140 K141D138-K140 PolarHBondContact O-N 2.93Å; D138-K140 VanDerWaalsContact O-N 3.14Å; D138-K140 WeakPolarHBondContact OD1-CB 3.47Å; D138-K140 VanDerWaalsContact OD1-CG 3.29Å; D138-K140 WeakPolarHBondContact OD1-CG 3.42Å; D138-K140 PolarHBondContact OD1-N 2.88Å; D138-K141 PolarHBondContact O-N 3.14Å
139D85.3Confident92.3Very high155 Ų15586.2 Ų86.283%0.82946%0.455SS*.THydrogen-bonded Turntrans-59.6-24-178.7-59-59.5000112.6K141D139-K141 PolarHBondContact O-N 3.21Å; D139-K141 VanDerWaalsContact O-N 3.16Å
140K87.1Confident92.4Very high180 Ų18085.5 Ų85.578%0.78345%0.451SS*.THydrogen-bonded Turntrans-65.7-12.3174.4-59.2169.4-175.5174.50113.4D138D138-K140 PolarHBondContact O-N 2.93Å; D138-K140 VanDerWaalsContact O-N 3.14Å; D138-K140 WeakPolarHBondContact OD1-CB 3.47Å; D138-K140 VanDerWaalsContact OD1-CG 3.29Å; D138-K140 WeakPolarHBondContact OD1-CG 3.42Å; D138-K140 PolarHBondContact OD1-N 2.88Å
141K82.4Confident92.4Very high154 Ų15479.3 Ų79.367%0.6742%0.423SS*.SBendtrans-127.874.4-179.8-69.5-176.1179.3176.30110.5D138 D139 G143D138-K141 PolarHBondContact O-N 3.14Å; D139-K141 PolarHBondContact O-N 3.21Å; D139-K141 VanDerWaalsContact O-N 3.16Å; K141-G143 PolarHBondContact O-N 3.11Å
142P80.8Confident92.3Very high129 Ų12982.7 Ų82.784%0.83845%0.445SS*.  trans-54.7122.8-179.522.2-33.9000110.8
143G88Confident91.9Very high40 Ų4088.9 Ų88.941%0.41248%0.478SS..  trans-164.4150.7-171.700000113.1R137 K141 G145R137-G143 VanDerWaalsContact CD-O 3.31Å; R137-G143 WeakPolarHBondContact CD-O 3.45Å; R137-G143 PolarHBondContact NE-O 3.03Å; K141-G143 PolarHBondContact O-N 3.11Å; G143-G145 PolarHBondContact O-N 2.89Å
144K90.2Very high91.4Very high200 Ų20085.9 Ų85.987%0.8746%0.46SS*.SBendtrans-70.1124.8-171.2-169.3169.2-175.8169.90112.4R137R137-K144 PolarHBondContact NH2-O 3.04Å
145G93Very high90.8Very high53 Ų5383.1 Ų83.155%0.54645%0.447SS..SBendtrans69.8167.5171.700000115.2R137 G143R137-G145 WeakPolarHBondContact CD-O 3.3Å; R137-G145 PolarHBondContact NE-O 3.12Å; G143-G145 PolarHBondContact O-N 2.89Å
146S95.9Very high90.1Very high31 Ų3186 Ų8622%0.21746%0.46CS..  trans-76.2163.3178.2-57.50000113.2K134 V135K134-S146 WeakPolarHBondContact CE-OG 3.26Å; V135-S146 WeakPolarHBondContact O-CB 3.44Å
147Y96.9Very high89.3Confident64 Ų6486.5 Ų86.525%0.25146%0.455SS..EExtended strand (participates in β ladder)trans-80.6156.9161-71.2-75000110.3K94 T96 V135 R137K94-Y147 HydrophobicContact CB-CD1 4.4Å; K94-Y147 HydrophobicContact CD-CD1 4.28Å; K94-Y147 HydrophobicContact CD-CG 4.21Å; K94-Y147 HydrophobicContact CG-CD1 3.79Å; K94-Y147 HydrophobicContact CG-CE1 4.26Å; K94-Y147 HydrophobicContact CG-CG 4.12Å; T96-Y147 HydrophobicContact CG2-CD1 3.88Å; T96-Y147 HydrophobicContact CG2-CE1 3.75Å; V135-Y147 PolarHBondContact N-O 2.9Å; V135-Y147 PolarHBondContact O-N 3.3Å; R137-Y147 HydrophobicContact CG-CD2 4.03Å; R137-Y147 HydrophobicContact CG-CE2 3.87Å
148W97.9Very high88.4Confident38 Ų3884.4 Ų84.414%0.14445%0.448CS..EExtended strand (participates in β ladder)trans-123.3128.2170.4-66.792000108.7K94 V95 L126 F132 V133 K134K94-W148 WeakPolarHBondContact CA-O 3.03Å; V95-W148 PolarHBondContact N-O 3Å; V95-W148 PolarHBondContact O-N 2.97Å; L126-W148 HydrophobicContact CB-CD2 4.31Å; L126-W148 HydrophobicContact CB-CE3 4.2Å; L126-W148 HydrophobicContact CB-CH2 3.88Å; L126-W148 HydrophobicContact CB-CZ2 4.01Å; L126-W148 HydrophobicContact CB-CZ3 3.98Å; L126-W148 HydrophobicContact CD1-CD2 4.36Å; L126-W148 HydrophobicContact CD1-CG 4.5Å; L126-W148 HydrophobicContact CD2-CB 4.29Å; L126-W148 HydrophobicContact CD2-CD2 3.84Å; L126-W148 HydrophobicContact CD2-CE3 3.95Å; L126-W148 HydrophobicContact CD2-CG 3.99Å; L126-W148 HydrophobicContact CG-CD2 4.4Å; L126-W148 WeakPolarHBondContact O-CZ3 3.37Å; F132-W148 HydrophobicContact CB-CE3 4.13Å; F132-W148 HydrophobicContact CB-CZ3 4.45Å; F132-W148 WeakPolarHBondContact O-CZ3 3.45Å; V133-W148 WeakPolarHBondContact O-CA 3.38Å; K134-W148 HydrophobicContact CB-CE3 4.06Å; K134-W148 HydrophobicContact CB-CH2 3.89Å; K134-W148 HydrophobicContact CB-CZ2 4.32Å; K134-W148 HydrophobicContact CB-CZ3 3.74Å; K134-W148 HydrophobicContact CG-CH2 4.28Å; K134-W148 HydrophobicContact CG-CZ2 4.26Å
149T97Very high87.5Confident31 Ų3185.9 Ų85.919%0.1945%0.452CS..EExtended strand (participates in β ladder)trans-113.7163.3174.849.40000110.2K94 F132 V133 V135K94-T149 HydrophobicContact CB-CG2 3.49Å; K94-T149 VanDerWaalsContact CB-CG2 3.49Å; F132-T149 WeakPolarHBondContact CA-O 3.44Å; V133-T149 PolarHBondContact N-O 3Å; V133-T149 PolarHBondContact O-N 2.82Å; V133-T149 PolarHBondContact O-OG1 2.95Å; V135-T149 HydrophobicContact CG2-CG2 3.78Å; V135-T149 VanDerWaalsContact CG2-OG1 3.31Å; V135-T149 WeakPolarHBondContact CG2-OG1 3.27Å
150L95.8Very high86.7Confident14 Ų1485.3 Ų85.37%0.07345%0.449CS..EExtended strand (participates in β ladder)trans-81.9135.6164.6-165.868000108T84 I87 C131 F132 S154 Y155 F158T84-L150 HydrophobicContact CG2-CD1 4.08Å; T84-L150 HydrophobicContact CG2-CD2 3.89Å; I87-L150 HydrophobicContact CD1-CB 4.47Å; I87-L150 HydrophobicContact CG2-CB 4.11Å; C131-L150 HydrophobicContact CB-CD1 4.39Å; C131-L150 WeakPolarHBondContact O-CA 3.46Å; F132-L150 HydrophobicContact CD1-CD1 4.24Å; F132-L150 HydrophobicContact CE1-CD1 3.92Å; L150-S154 WeakPolarHBondContact CD1-OG 3.12Å; L150-S154 WeakPolarHBondContact CG-OG 3.07Å; L150-Y155 HydrophobicContact CD2-CD2 3.76Å; L150-Y155 HydrophobicContact CD2-CE2 4.41Å; L150-Y155 HydrophobicContact CD2-CG 4.25Å; L150-F158 HydrophobicContact CD1-CD2 4.32Å; L150-F158 HydrophobicContact CD1-CE2 4.25Å; L150-F158 HydrophobicContact CD2-CD2 4.32Å
151D94.5Very high85.7Confident47 Ų4779 Ų7925%0.25144%0.435SS..  trans-62.5128.6171.2172.821.7000110C131 V133 D153 S154 Y155C131-D151 PolarHBondContact O-N 3.31Å; V133-D151 HydrophobicContact CG2-CB 3.96Å; D151-D153 VanDerWaalsContact C-N 3.29Å; D151-D153 PolarHBondContact O-N 3.44Å; D151-D153 PolarHBondContact OD1-N 2.7Å; D151-S154 WeakPolarHBondContact O-CA 3.47Å; D151-S154 WeakPolarHBondContact O-CB 3.41Å; D151-S154 PolarHBondContact O-N 3.29Å; D151-S154 PolarHBondContact O-OG 3.31Å; D151-Y155 PolarHBondContact O-N 3.2Å
152P91.5Very high85.2Confident97 Ų9774.2 Ų74.263%0.6342%0.422SS*.Hα-helixtrans-48.7-43.5178.8-31.737000114.7S154 Y155P152-S154 PolarHBondContact O-N 3.18Å; P152-Y155 VanDerWaalsContact O-CB 3.29Å; P152-Y155 WeakPolarHBondContact O-CB 3.26Å; P152-Y155 PolarHBondContact O-N 2.91Å; P152-Y155 VanDerWaalsContact O-N 3.1Å
153D87.5Confident84.9Confident138 Ų13870.1 Ų70.174%0.73839%0.391SS*.Hα-helixtrans-63.4-28179.1-78.80.1000111.9D151D151-D153 VanDerWaalsContact C-N 3.29Å; D151-D153 PolarHBondContact O-N 3.44Å; D151-D153 PolarHBondContact OD1-N 2.7Å
154S85.4Confident84.1Confident1 Ų173.6 Ų73.61%0.00740%0.399CS..Hα-helixtrans-85.4-11.4178.7820000114.6L150 D151 P152 N156 M157 F158L150-S154 WeakPolarHBondContact CD1-OG 3.12Å; L150-S154 WeakPolarHBondContact CG-OG 3.07Å; D151-S154 WeakPolarHBondContact O-CA 3.47Å; D151-S154 WeakPolarHBondContact O-CB 3.41Å; D151-S154 PolarHBondContact O-N 3.29Å; D151-S154 PolarHBondContact O-OG 3.31Å; P152-S154 PolarHBondContact O-N 3.18Å; S154-N156 PolarHBondContact O-N 3.5Å; S154-M157 WeakPolarHBondContact O-CB 3.48Å; S154-M157 PolarHBondContact O-N 2.97Å; S154-M157 VanDerWaalsContact O-N 3.13Å; S154-F158 WeakPolarHBondContact O-CD2 3.27Å
155Y84.9Confident82.7Confident76 Ų7673.5 Ų73.530%0.29839%0.393SS..Hα-helixtrans-59.4-46.9-174.3-158.4-85.3000112.3L150 D151 P152 M157 F158 E159L150-Y155 HydrophobicContact CD2-CD2 3.76Å; L150-Y155 HydrophobicContact CD2-CE2 4.41Å; L150-Y155 HydrophobicContact CD2-CG 4.25Å; D151-Y155 PolarHBondContact O-N 3.2Å; P152-Y155 VanDerWaalsContact O-CB 3.29Å; P152-Y155 WeakPolarHBondContact O-CB 3.26Å; P152-Y155 PolarHBondContact O-N 2.91Å; P152-Y155 VanDerWaalsContact O-N 3.1Å; Y155-M157 PolarHBondContact O-N 2.79Å; Y155-F158 PolarHBondContact O-N 3.36Å; Y155-F158 VanDerWaalsContact O-N 3.1Å; Y155-E159 WeakPolarHBondContact CE1-OE1 3.31Å; Y155-E159 PolarHBondContact O-N 3.36Å
156N82.8Confident81.3Confident108 Ų10878.5 Ų78.558%0.57840%0.396SS*.Hα-helixtrans-56.4-24.7178-65.6-67.9000114.1S154 F158S154-N156 PolarHBondContact O-N 3.5Å; N156-F158 VanDerWaalsContact C-N 3.26Å; N156-F158 PolarHBondContact O-N 2.8Å
157M76.6Confident79.5Confident111 Ų11189.2 Ų89.255%0.54743%0.431SS..Hα-helixtrans-73.3-16.1-179.5-68.6-165.8-88.200113.7S154 Y155S154-M157 WeakPolarHBondContact O-CB 3.48Å; S154-M157 PolarHBondContact O-N 2.97Å; S154-M157 VanDerWaalsContact O-N 3.13Å; Y155-M157 PolarHBondContact O-N 2.79Å
158F73.3Confident77.5Confident22 Ų2296.4 Ų96.410%0.09646%0.458CS..Hα-helixtrans-122.4-16.7-174.8-58.2-79.1000114I80 T84 L150 S154 Y155 N156 G161 F163I80-F158 HydrophobicContact CG2-CE1 4.09Å; I80-F158 HydrophobicContact CG2-CZ 3.68Å; T84-F158 HydrophobicContact CG2-CB 3.73Å; T84-F158 HydrophobicContact CG2-CD1 4.11Å; T84-F158 HydrophobicContact CG2-CD2 3.85Å; T84-F158 HydrophobicContact CG2-CE2 4.49Å; T84-F158 HydrophobicContact CG2-CG 3.63Å; L150-F158 HydrophobicContact CD1-CD2 4.32Å; L150-F158 HydrophobicContact CD1-CE2 4.25Å; L150-F158 HydrophobicContact CD2-CD2 4.32Å; S154-F158 WeakPolarHBondContact O-CD2 3.27Å; Y155-F158 PolarHBondContact O-N 3.36Å; Y155-F158 VanDerWaalsContact O-N 3.1Å; N156-F158 VanDerWaalsContact C-N 3.26Å; N156-F158 PolarHBondContact O-N 2.8Å; F158-G161 PolarHBondContact O-N 2.78Å; F158-F163 HydrophobicContact CB-CE1 4.06Å; F158-F163 HydrophobicContact CD1-CD1 4.44Å; F158-F163 VanDerWaalsContact O-CZ 3.3Å; F158-F163 WeakPolarHBondContact O-CZ 3.15Å
159E70.6Confident75.7Confident114 Ų114105.3 Ų105.353%0.53349%0.491SS..Hα-helixtrans-62-43.1-179.9-171.9153.4-133.400112.8Y155 G161Y155-E159 WeakPolarHBondContact CE1-OE1 3.31Å; Y155-E159 PolarHBondContact O-N 3.36Å; E159-G161 PolarHBondContact O-N 3.09Å
160N68.1Low73.5Confident143 Ų143110.5 Ų110.577%0.76551%0.512SS*.THydrogen-bonded Turntrans-76.233.5178.3-65.9-52.8000114.1S162N160-S162 PolarHBondContact O-N 3.5Å; N160-S162 VanDerWaalsContact O-N 3.07Å
161G66Low71.8Confident47 Ų47117 Ų11749%0.48554%0.539SS..SBendtrans68.85.7173.300000116.7F158 E159 F163F158-G161 PolarHBondContact O-N 2.78Å; E159-G161 PolarHBondContact O-N 3.09Å; G161-F163 WeakPolarHBondContact O-CD2 3.39Å; G161-F163 PolarHBondContact O-N 2.98Å
162S72.7Confident69.8Low55 Ų55123.9 Ų123.939%0.38557%0.567SS.*  trans-75.343.4-173.7-177.20000114.5N160 L164N160-S162 PolarHBondContact O-N 3.5Å; N160-S162 VanDerWaalsContact O-N 3.07Å; S162-L164 VanDerWaalsContact C-N 3.28Å; S162-L164 PolarHBondContact O-N 3.41Å
163F73.8Confident68Low43 Ų43127.7 Ų127.719%0.18957%0.574CS.*  trans-72-19.3176.8-57.7-72.4000113.6Y77 A81 T84 M85 Q88 F158 G161Y77-F163 HydrophobicContact CD1-CB 3.91Å; Y77-F163 HydrophobicContact CE1-CB 3.88Å; A81-F163 HydrophobicContact CB-CB 4.17Å; A81-F163 HydrophobicContact CB-CD1 4.38Å; A81-F163 VanDerWaalsContact CB-O 3.26Å; A81-F163 WeakPolarHBondContact CB-O 3.34Å; T84-F163 HydrophobicContact CG2-CE1 4.46Å; M85-F163 HydrophobicContact CG-CD1 3.82Å; M85-F163 HydrophobicContact CG-CE1 3.83Å; M85-F163 HydrophobicContact CG-CG 4.41Å; M85-F163 HydrophobicContact CG-CZ 4.41Å; M85-F163 HydrophobicContact SD-CD1 4.45Å; M85-F163 HydrophobicContact SD-CG 4.5Å; Q88-F163 VanDerWaalsContact OE1-CE1 3.31Å; Q88-F163 VanDerWaalsContact OE1-CZ 3.27Å; F158-F163 HydrophobicContact CB-CE1 4.06Å; F158-F163 HydrophobicContact CD1-CD1 4.44Å; F158-F163 VanDerWaalsContact O-CZ 3.3Å; F158-F163 WeakPolarHBondContact O-CZ 3.15Å; G161-F163 WeakPolarHBondContact O-CD2 3.39Å; G161-F163 PolarHBondContact O-N 2.98Å
164L71.1Confident66.5Low112 Ų112125 Ų12559%0.58656%0.559SS**BIsolated β-bridgetrans-66.9138.5-178.3-69.2177.7000112.4P76 Y77 S162 R166P76-L164 HydrophobicContact CB-CD2 4.35Å; P76-L164 HydrophobicContact CG-CD2 4.2Å; Y77-L164 HydrophobicContact CE1-CD2 4.2Å; S162-L164 VanDerWaalsContact C-N 3.28Å; S162-L164 PolarHBondContact O-N 3.41Å; L164-R166 PolarHBondContact O-N 3.18Å
165R62.1Low65.2Low198 Ų198127.7 Ų127.775%0.74758%0.581SS**  trans-63101.8176.8176.6-178.5161.6-171.9-5.7111.2R167R165-R167 PolarHBondContact O-N 3.32Å
166R63.1Low64.2Low159 Ų159129.7 Ų129.760%0.660%0.597SS**  trans-51.5118.5174.5-162.8-178.5-72.4141.91111L164 R168L164-R166 PolarHBondContact O-N 3.18Å; R166-R168 VanDerWaalsContact C-N 3.29Å; R166-R168 WeakPolarHBondContact CD-O 3.41Å; R166-R168 VanDerWaalsContact CG-O 3.3Å; R166-R168 WeakPolarHBondContact CG-O 3.33Å; R166-R168 PolarHBondContact O-N 3.42Å
167R58.7Low63.1Low255 Ų255131.3 Ų131.396%0.96260%0.599SS**SBendtrans-66.6-21.9-172-85.1-179.9167.9154.9-4.7114.7R165R165-R167 PolarHBondContact O-N 3.32Å
168R54.8Low62.6Low215 Ų215131.3 Ų131.381%0.81160%0.597SS**SBendtrans-117.9135.6164-80.3-178.6170.1164.5-3109.5R166 F170R166-R168 VanDerWaalsContact C-N 3.29Å; R166-R168 WeakPolarHBondContact CD-O 3.41Å; R166-R168 VanDerWaalsContact CG-O 3.3Å; R166-R168 WeakPolarHBondContact CG-O 3.33Å; R166-R168 PolarHBondContact O-N 3.42Å; R168-F170 PolarHBondContact O-N 3.27Å
169R59.3Low62.4Low225 Ų225137 Ų13785%0.84962%0.622SS**  trans-70.9114156.4-80.5-175.9174.5-101.56.1106.6K171R169-K171 PolarHBondContact O-N 3.49Å
170F51.5Low62.2Low140 Ų140137.4 Ų137.461%0.61462%0.624SS**  trans-57.3125164-72.1-69.3000108.3R168R168-F170 PolarHBondContact O-N 3.27Å
171K60.6Low62.1Low150 Ų150135.8 Ų135.865%0.65261%0.612SS**  trans-83.1143.1165.1-65.8179176.5179.50107.1R169 K173 D174R169-K171 PolarHBondContact O-N 3.49Å; K171-K173 PolarHBondContact O-N 3.08Å; K171-D174 WeakPolarHBondContact CB-OD2 3.49Å; K171-D174 PolarHBondContact N-OD2 3.34Å; K171-D174 WeakPolarHBondContact O-CB 3.36Å; K171-D174 PolarHBondContact O-N 3.44Å
172K52.2Low62.3Low193 Ų193141.6 Ų141.684%0.83962%0.619SS**Hα-helixtrans-57-20.5177.9-162.7170.9-177.2175.90112.8
173K52.2Low62Low177 Ų177144.3 Ų144.377%0.7763%0.628SS**Hα-helixtrans-72.9-26.1174.3-152.9171.6-172.6177.70114K171K171-K173 PolarHBondContact O-N 3.08Å
174D56.7Low61.6Low81 Ų81149.1 Ų149.143%0.43365%0.652SS.*Hα-helixtrans-76.7-43.8-179.9-48.1-34.5000110.4K171 L176 K177 E178K171-D174 WeakPolarHBondContact CB-OD2 3.49Å; K171-D174 PolarHBondContact N-OD2 3.34Å; K171-D174 WeakPolarHBondContact O-CB 3.36Å; K171-D174 PolarHBondContact O-N 3.44Å; D174-L176 VanDerWaalsContact C-N 3.33Å; D174-L176 PolarHBondContact O-N 3.29Å; D174-K177 PolarHBondContact O-N 3.27Å; D174-K177 VanDerWaalsContact O-N 3.15Å; D174-E178 PolarHBondContact O-N 3.43Å; D174-E178 VanDerWaalsContact O-N 3.07Å
175A59.4Low61.3Low57 Ų57150.7 Ų150.747%0.47165%0.654SS.*Hα-helixtrans-66.6-29.6-179.300000113.8K179A175-K179 PolarHBondContact O-N 3.24Å
176L62.2Low61.2Low118 Ų118147.7 Ų147.762%0.61865%0.653SS**Hα-helixtrans-67.3-43.2171.5-72.2173.4000111.1D174 E178 K179 E180D174-L176 VanDerWaalsContact C-N 3.33Å; D174-L176 PolarHBondContact O-N 3.29Å; L176-E178 PolarHBondContact O-N 3.14Å; L176-K179 PolarHBondContact O-N 2.93Å; L176-E180 WeakPolarHBondContact O-CB 3.36Å; L176-E180 PolarHBondContact O-N 3.42Å
177K61.4Low61Low143 Ų143146.6 Ų146.662%0.62266%0.658SS**Hα-helixtrans-65.9-36.4179.5-166.6176.8-178.7-177.20112.5D174 E180 E181D174-K177 PolarHBondContact O-N 3.27Å; D174-K177 VanDerWaalsContact O-N 3.15Å; K177-E180 PolarHBondContact O-N 2.97Å; K177-E181 WeakPolarHBondContact O-CB 3.29Å; K177-E181 PolarHBondContact O-N 3.06Å
178E64.6Low60.8Low110 Ų110139.7 Ų139.751%0.51465%0.646SS.*Hα-helixtrans-67.3-37174-168.9-178.2159.900112.3D174 L176 R182D174-E178 PolarHBondContact O-N 3.43Å; D174-E178 VanDerWaalsContact O-N 3.07Å; L176-E178 PolarHBondContact O-N 3.14Å; E178-R182 PolarHBondContact O-N 3.3Å
179K69Low60.4Low142 Ų142135.3 Ų135.362%0.61765%0.645SS**Hα-helixtrans-67.5-40.7174.4-172.7178.2179.2-178.10111.9A175 L176 L183A175-K179 PolarHBondContact O-N 3.24Å; L176-K179 PolarHBondContact O-N 2.93Å; K179-L183 HydrophobicContact CG-CD1 4.33Å; K179-L183 WeakPolarHBondContact O-CG 3.41Å; K179-L183 PolarHBondContact O-N 3.49Å
180E66.6Low59.6Low123 Ų123135.9 Ų135.958%0.57565%0.647SS**Hα-helixtrans-62.8-47.8175.7-172.9173.3-147.600111.4L176 K177 R182 L183 Q184L176-E180 WeakPolarHBondContact O-CB 3.36Å; L176-E180 PolarHBondContact O-N 3.42Å; K177-E180 PolarHBondContact O-N 2.97Å; E180-R182 VanDerWaalsContact C-N 3.32Å; E180-R182 PolarHBondContact O-N 3.13Å; E180-L183 PolarHBondContact O-N 2.97Å; E180-Q184 PolarHBondContact O-N 2.83Å
181E66.9Low59.3Low108 Ų108138.1 Ų138.151%0.50566%0.66SS.*Hα-helixtrans-64.4-32.5179.4-159.6-164.3129.100113.2K177 K185K177-E181 WeakPolarHBondContact O-CB 3.29Å; K177-E181 PolarHBondContact O-N 3.06Å; E181-K185 IonicContact OE1-NZ 2.65Å; E181-K185 PolarHBondContact OE1-NZ 3.15Å
182R69.3Low58.3Low169 Ų169140 Ų14064%0.63867%0.671SS**Hα-helixtrans-65.7-50.5172.2-77.2-177.7178.4-108.53.7111.6E178 E180 Q184 K185E178-R182 PolarHBondContact O-N 3.3Å; E180-R182 VanDerWaalsContact C-N 3.32Å; E180-R182 PolarHBondContact O-N 3.13Å; R182-Q184 PolarHBondContact O-N 3Å; R182-K185 PolarHBondContact O-N 3.13Å
183L66.8Low57.7Low112 Ų112134.4 Ų134.459%0.58667%0.668SS**Hα-helixtrans-61-30.6179.2-69.4167.8000112.7K179 E180 K185K179-L183 HydrophobicContact CG-CD1 4.33Å; K179-L183 WeakPolarHBondContact O-CG 3.41Å; K179-L183 PolarHBondContact O-N 3.49Å; E180-L183 PolarHBondContact O-N 2.97Å; L183-K185 VanDerWaalsContact C-N 3.26Å; L183-K185 PolarHBondContact O-N 3.03Å
184Q65.2Low57.2Low144 Ų144136.6 Ų136.667%0.67367%0.671SS**THydrogen-bonded Turntrans-69.2-18.5176.4-154.676.327.800113.7E180 R182E180-Q184 PolarHBondContact O-N 2.83Å; R182-Q184 PolarHBondContact O-N 3Å
185K64.5Low56.2Low146 Ų146140.1 Ų140.164%0.63569%0.69SS**THydrogen-bonded Turntrans-95.8-14.4-173.9-85.8169173.6163.10115E181 R182 L183E181-K185 IonicContact OE1-NZ 2.65Å; E181-K185 PolarHBondContact OE1-NZ 3.15Å; R182-K185 PolarHBondContact O-N 3.13Å; L183-K185 VanDerWaalsContact C-N 3.26Å; L183-K185 PolarHBondContact O-N 3.03Å
186D59.5Low55.4Low135 Ų135145.6 Ų145.672%0.72271%0.706SS**SBendtrans-91.410.1-175.5-64.3-30.1000113.8
187L59.7Low54Low135 Ų135148.9 Ų148.971%0.70772%0.718SS**PPolyproline II helixtrans-97.9124.5177.9-71.3172.7000112
188P54.2Low52.7Low111 Ų111150.7 Ų150.772%0.72173%0.729SS**PPolyproline II helixtrans-74.4148.8179.430.3-34.9000112.5R190P188-R190 PolarHBondContact O-N 3.06Å
189P46.8Very low51.7Low122 Ų122150.7 Ų150.779%0.79274%0.739SS**PPolyproline II helixtrans-70.6118.1-178.828.2-34.1000111.7Q191P189-Q191 PolarHBondContact O-N 2.88Å
190R43.5Very low50Low237 Ų237149.6 Ų149.689%0.89474%0.744SS**  trans-70.8109.3174.8-175.2176.3-177.4171.51110.2P188 Q192P188-R190 PolarHBondContact O-N 3.06Å; R190-Q192 PolarHBondContact O-N 3.21Å
191Q44.9Very low48.4Very low187 Ų187152.8 Ų152.887%0.87476%0.759SS**  trans-61.8132.5173.3-63179.74.500110.3P189P189-Q191 PolarHBondContact O-N 2.88Å
192Q39.8Very low46.6Very low191 Ų191151 Ų15189%0.89377%0.769SS**  trans-101.7106.8167.4-75.9-176.7-27.900108.5R190R190-Q192 PolarHBondContact O-N 3.21Å
193G38.6Very low44.8Very low75 Ų75149 Ų14977%0.77378%0.781SS**  trans-69.4138.3161.100000109.7
194R41.7Very low43.2Very low222 Ų222152.2 Ų152.284%0.83879%0.793SS**  trans-71.2150.8153.5-72.6178.4170.2177.5-4.7107.8
195D35.8Very low42.9Very low155 Ų155150.3 Ų150.383%0.82979%0.793SS**  -161.1175.5109.8-90.6-28.4000110.3
196Q41.4Very low41.5Very low173 Ų173150.5 Ų150.581%0.80881%0.806SS**  trans-99.4177.5-172.2-60.9170.571.400108.5
197E33.6Very low40.6Very low186 Ų186154.7 Ų154.787%0.86981%0.812SS**  cis-148.9176.527.7-64.9173.995.200112.8
198Q34.3Very low39.8Very low181 Ų181155.2 Ų155.285%0.84681%0.814SS**  trans-91-179.3163.2-80.2-167.714.100109.3
199P44.2Very low39.2Very low110 Ų110156.7 Ų156.771%0.71481%0.811SS**  cis-154.5-170.827.936.4-8.8000119.9
200V32.6Very low38.8Very low120 Ų120156.9 Ų156.973%0.72781%0.805SS**  trans79.2102.3158.5-161.70000121.4
201Q33.6Very low38.8Very low190 Ų190151.8 Ų151.889%0.88880%0.795SS**  trans13.2142.3130.9-57.6172.5-19.200122.2
202G29.2Very low38.5Very low71 Ų71151.6 Ų151.673%0.73279%0.791SS**  trans-167.7117.9159.700000115.5
203S30.8Very low38.6Very low126 Ų126148.3 Ų148.388%0.88178%0.784SS**  trans38.5114.7157.458.20000122.7
204Q34Very low38.6Very low180 Ų180153.7 Ų153.784%0.84179%0.789SS**  trans-86.2178139.1-75.5-91.8-6.900109.3
205P59Low38.5Very low104 Ų104150.8 Ų150.868%0.67579%0.79SS**  cis-128.4171.7-30.337.3-22.7000113.1
206V34Very low38.4Very low150 Ų150147.4 Ų147.491%0.90979%0.792SS**  trans-137.6149.5160.6-177.50000110.7
207R41.4Very low38.2Very low222 Ų222143.8 Ų143.884%0.83879%0.792SS**  trans-125.8178.1-177.6-173.6-177.1177.6120-1.2108.8
208I42.5Very low38.3Very low147 Ų147142 Ų14275%0.75479%0.793SS**  trans97.2135.3172.7-57.4161.4000111.9
209Q41.1Very low38.6Very low142 Ų142139.2 Ų139.266%0.66479%0.789SS**  cis-172.5-178.7-27.1-136.5159.5-41.300109.2
210D38.1Very low39.5Very low125 Ų125139 Ų13967%0.66879%0.787SS**  trans68.7157.5151.5-61.9-16.7000120.1
211I43.6Very low40.2Very low130 Ų130139.3 Ų139.367%0.66779%0.792SS**  cis-160.1148.5-16.2-111.8166.8000110.4
212K38.5Very low40.1Very low184 Ų184139.1 Ų139.180%0.879%0.791SS**  trans50.5140.3162-74179.5176.4-179.90120
213T42.4Very low40.2Very low121 Ų121139.4 Ų139.474%0.74279%0.787SS**  cis88.8111.837.5-56.10000114.9
214E38.7Very low40.2Very low189 Ų189140.8 Ų140.888%0.88378%0.784SS**  trans-149.3170135.866.6179.8175.200111.4
215N38.9Very low40.4Very low160 Ų160137.2 Ų137.286%0.85678%0.779SS**  trans-121.2148.9-175.1-61.7-69.7000110.8
216G34.7Very low39.9Very low85 Ų85137.6 Ų137.688%0.87678%0.782SS**  trans-155.4117.6168.900000111.7
217A36.2Very low40Very low96 Ų96135.3 Ų135.379%0.79377%0.772SS**  trans-131.2135.6179.100000110.6
218V36.6Very low39.7Very low148 Ų148131.6 Ų131.690%0.89777%0.768SS**  trans-140.7141.9170.9-178.10000107.8
219T41.4Very low39.2Very low124 Ų124129.3 Ų129.376%0.76176%0.758SS**  trans-117.7-167.1-170.7-24.50000111.1
220P61.6Low38.9Very low105 Ų105125.2 Ų125.268%0.68275%0.748SS**  -95.1-167.6-127.743.4-31000114.2
221P47.2Very low38.9Very low127 Ų127124.3 Ų124.383%0.82575%0.746SS**  -132.5169.411339.1-32.7000115.3
222Q32.2Very low39.1Very low186 Ų186122.7 Ų122.787%0.86974%0.744SS**  trans-83.6-176.8164.9-53.1173.6-86.900108.9
223A31.9Very low38.8Very low77 Ų77122.1 Ų122.164%0.63674%0.742SS**  cis-141.7-1705.400000108.2
224D30.1Very low38.5Very low154 Ų154123.3 Ų123.382%0.82474%0.742SS**  cis-156.9174.441.5-93.5-50.8000113.1
225S38Very low38.3Very low106 Ų106122 Ų12274%0.74174%0.736SS**  trans-143.6159.9163.2-61.30000108
226P48.7Very low38.2Very low112 Ų112119.7 Ų119.773%0.72773%0.732SS**  -160.2161.297.640.3-21.2000118.2
227S35.9Very low38.9Very low102 Ų102121 Ų12171%0.71373%0.725SS**  trans66.9154.1135.770.60000121.7
228L35.4Very low38.6Very low143 Ų143124.1 Ų124.175%0.74973%0.729SS**  cis-167.2176.9-13.8-112.8173.5000111.6
229N32.4Very low38.4Very low100 Ų100122.7 Ų122.754%0.53573%0.725SS.*  trans75.1139.2170.1-47-36.6000114.8Q396N229-Q396 VanDerWaalsContact O-CD 3.23Å; N229-Q396 PolarHBondContact O-NE2 3.08Å; N229-Q396 PolarHBondContact O-OE1 3.22Å
230A33.8Very low37.9Very low55 Ų55122 Ų12246%0.45573%0.726SS.*  cis113.1959.300000119.6Q396 E397A230-Q396 VanDerWaalsContact C-CB 3.49Å; A230-E397 PolarHBondContact N-OE2 2.96Å
231V38.7Very low36.6Very low106 Ų106121.8 Ų121.864%0.64273%0.727SS**  53.1125.2123.5175.40000119.4Q396V231-Q396 VanDerWaalsContact CA-O 3.29Å; V231-Q396 WeakPolarHBondContact CA-O 3.28Å; V231-Q396 PolarHBondContact N-O 3.08Å
232P48.1Very low36Very low96 Ų96120.5 Ų120.562%0.62372%0.721SS**  -152.9168.690.640.5-20.8000120.6G395P232-G395 WeakPolarHBondContact CD-O 3.3Å
233K31.9Very low36.1Very low172 Ų172119.6 Ų119.675%0.74872%0.718SS**  trans-75.3156.2168.8-147.1178176.6-172.40110
234I36.2Very low36.1Very low146 Ų146121.5 Ų121.575%0.74973%0.727SS**  -173.9144.17441.4171.7000108
235E33.9Very low36.2Very low161 Ų161119.9 Ų119.975%0.75273%0.728SS**  73.4135.466.1-153.9167.1165.800114.8
236S37.8Very low35.8Very low112 Ų112118.2 Ų118.278%0.78373%0.728SS**  trans-113.4161.4-159.9-48.90000114.2
237P49.4Very low35.2Very low112 Ų112118.7 Ų118.773%0.72773%0.734SS**  trans-102.7126.5166.535.5-28.2000114.4
238D28.8Very low36Very low163 Ų163120.1 Ų120.187%0.87274%0.74SS**  trans60.9167.6141.1-60.4-41000123.2
239S33.4Very low35.9Very low117 Ų117121.9 Ų121.982%0.81875%0.745SS**  trans-141153.7-163-64.30000113
240S31.5Very low36Very low110 Ų110121.2 Ų121.277%0.76975%0.748SS**  trans178146141.535.90000113.6
241S33.8Very low36.2Very low100 Ų100126.5 Ų126.570%0.69977%0.766SS**  trans55.7123.8165.143.80000118.5
242S34.4Very low36.8Very low101 Ų101126.4 Ų126.471%0.70677%0.768SS**  66.9135.253.3-48.80000112.6
243M34.6Very low36Very low166 Ų166127.3 Ų127.382%0.81878%0.777SS**  cis-158.7159.711.436.6-95.2137.100113.4
244S31.9Very low35.9Very low118 Ų118124.1 Ų124.183%0.82578%0.776SS**  trans4.1148.8149.2-101.30000120.1
245S32.3Very low35.7Very low119 Ų119128.1 Ų128.183%0.83278%0.782SS**  cis-173.2-178.93245.50000109.4
246G29.3Very low35.6Very low72 Ų72125.9 Ų125.974%0.74278%0.784SS**  cis179.6172.90.900000111.2
247S36.8Very low35.3Very low121 Ų121128.6 Ų128.685%0.84679%0.788SS**  trans-84.5171.1179.7-48.70000113.7
248P50.8Low34.4Very low132 Ų132128 Ų12886%0.85779%0.792SS**  -149.8-179.1109.339.4-23.2000116.2
249H34.7Very low34.7Very low181 Ų181129.2 Ų129.284%0.83880%0.795SS**  trans-125.3123.4-178.5-115.3-58.8000113.3
250S34.7Very low34.5Very low86 Ų86130.5 Ų130.560%0.60179%0.793SS**  trans56.8102.5131.2-58.10000125.1
251I37.8Very low34.4Very low165 Ų165130.2 Ų130.285%0.84679%0.791SS**  trans57174.3134.836.8169.5000120.7
252P50.7Low34.4Very low105 Ų105130.9 Ų130.968%0.68280%0.795SS**  cis-135.1172.25.543.2-26.9000118.3
253S30.5Very low34.3Very low114 Ų114134.5 Ų134.580%0.79780%0.801SS**  174.6142.4129.4-81.30000118.1
254S31.4Very low34.3Very low106 Ų106134 Ų13474%0.74180%0.797SS**  trans17.4128.6151.864.90000125
255R32Very low34.4Very low229 Ų229136.6 Ų136.686%0.86480%0.795SS**  174.8125.1113.3-95.5179.5-178.2-158.20109.3
256S30.6Very low34.5Very low115 Ų115137.5 Ų137.580%0.80479%0.786SS**  73107.683.1-56.80000113.3
257I32.5Very low34.6Very low169 Ų169141.4 Ų141.487%0.86779%0.785SS**  trans-103.6134.2177.2-46.2171.8000108.1
258A30.5Very low34.5Very low98 Ų98144.1 Ų144.181%0.8179%0.785SS**  trans-123.5142.8167.100000108.6
259M34.1Very low33.9Very low189 Ų189146.1 Ų146.193%0.93178%0.782SS**  trans-94.3138.5172-77179.9160.800109.5
260D29.8Very low34Very low144 Ų144144.8 Ų144.877%0.7778%0.777SS**  trans-90.6156.6167.2-175.135.4000110.1
261S29.2Very low34.2Very low105 Ų105148.1 Ų148.173%0.73478%0.783SS**  trans-151.6120-178.1-70.50000110.8
262S34Very low34.2Very low113 Ų113146.9 Ų146.979%0.7977%0.773SS**  trans-108.1148.1179.3-65.70000112
263E31.3Very low33.5Very low177 Ų177148.7 Ų148.783%0.82777%0.773SS**  trans-91.4160-164.2-56.9167.287.900114.2
264H34.8Very low33.6Very low156 Ų156150 Ų15072%0.72277%0.766SS**  166.4117.4121.3-105.6-100000113.1
265H35.3Very low33.6Very low173 Ų173152 Ų15280%0.80176%0.764SS**  -177166.8115.9-101.882.9000114.8
266Q33.3Very low33.5Very low137 Ų137149.8 Ų149.864%0.6476%0.763SS**  trans-101159.7-152.4-68170.3-29.600116.8
267Q32.4Very low33.5Very low155 Ų155152.5 Ų152.572%0.72476%0.763SS**  trans67.6149.6146.7-72.3167.535.300118.2
268Q34.6Very low33.4Very low177 Ų177151.9 Ų151.983%0.82776%0.756SS**  cis-151.2-168.236.3-145.5164.265.100114.8
269Q37.7Very low33.4Very low174 Ų174151.7 Ų151.781%0.81375%0.749SS**  trans-93.5178.2-174.3-74171.911.900112.1
270Q37.9Very low33.3Very low154 Ų154150.8 Ų150.872%0.7274%0.742SS**  cis-178.1172.9-25.5-178.1-175.69100106.8
271Q37.4Very low33.4Very low155 Ų155148 Ų14872%0.72474%0.739SS**  trans81.7159167.4-49.8-175.21900118.1
272Q38.4Very low33.6Very low139 Ų139148.2 Ų148.265%0.6574%0.741SS**  cis-161151.3-32.7-104.8-169.841.600111.5
273Q35.2Very low33.7Very low143 Ų143149.4 Ų149.467%0.66874%0.743SS**  trans62.7123.1144.5-69.6-160.470.800125.5
274Q33.8Very low34.1Very low141 Ų141149.8 Ų149.866%0.65975%0.745SS**  trans92.3118.8130.3-75.3-162.955.800125.1
275Q30.9Very low34Very low148 Ų148145.6 Ų145.669%0.69274%0.744SS**  trans60.6117.6138.2-60-16168.100122.8
276H29.7Very low34Very low184 Ų184147.6 Ų147.685%0.85275%0.751SS**  -166.5146.5102.1-107.1-80.7000112
277H31.4Very low34.2Very low172 Ų172145.9 Ų145.980%0.79675%0.754SS**  trans-80.2159.7160.8-72.7-81.4000109.3
278H30.8Very low34.6Very low155 Ų155144.6 Ų144.672%0.71876%0.756SS**  cis-143.4-163.924.7-150.742.5000109.2
279S30.3Very low35.2Very low95 Ų95142.7 Ų142.766%0.66475%0.752SS**  cis-151.2-10117.756.80000117
280Q32.3Very low35.5Very low170 Ų170142.1 Ų142.179%0.79475%0.754SS**  trans-149.6154.7-157-77.6177.1-4.100109.8
281A31.3Very low36.1Very low85 Ų85142.1 Ų142.170%0.70276%0.757SS**  cis-162161.7-1000000112.1
282S33.6Very low36.4Very low110 Ų110142.8 Ų142.877%0.76976%0.763SS**  trans25.7114.1155.859.60000120.8
283T36.4Very low36.6Very low137 Ų137142.7 Ų142.784%0.8477%0.772SS**  trans-75.5146.4152.445.20000111.3
284Q37.8Very low36.6Very low185 Ų185141.3 Ų141.386%0.86478%0.778SS**  trans-142.3159.9168.8-86.7-57.3-19.400112.4
285G32.6Very low36.8Very low68 Ų68143.4 Ų143.470%0.70179%0.793SS**  trans-73.4158.6-15900000117.6
286F35.5Very low37Very low216 Ų216148.6 Ų148.695%0.94781%0.806SS**  trans-79.5134.2165.5-68.7-95.2000110.4
287S38.5Very low37.1Very low101 Ų101143.7 Ų143.771%0.70681%0.806SS**  trans-132.9155.2164.3-162.20000110.3D289S287-D289 PolarHBondContact OG-OD2 3.12Å; S287-D289 VanDerWaalsContact OG-OD2 3.11Å
288V41.2Very low37.3Very low128 Ų128140.9 Ų140.978%0.77681%0.805SS**  trans-117.761.8-163.9-167.50000111.5
289D47.5Very low38.4Very low137 Ų137138.6 Ų138.673%0.73380%0.804SS**  trans-122.64.6-177.9-65.1-78.2000113.7S287 I291S287-D289 PolarHBondContact OG-OD2 3.12Å; S287-D289 VanDerWaalsContact OG-OD2 3.11Å; D289-I291 PolarHBondContact O-N 3.26Å
290N43.2Very low38.6Very low161 Ų161143 Ų14386%0.86181%0.814SS**  trans-9924-170.2-138.966.8000114.6
291I50.8Low38.6Very low154 Ų154138.3 Ų138.379%0.7981%0.812SS**SBendtrans-128.246.4-179.9-39.2-177.9000111.7D289D289-I291 PolarHBondContact O-N 3.26Å
292M43Very low38.6Very low169 Ų169140.3 Ų140.383%0.83382%0.815SS**SBendtrans-162.2144.6157.2-109.4162.570.100110
293T42.7Very low38.8Very low137 Ų137140.9 Ų140.984%0.8481%0.814SS**SBendtrans79.257.7170.6-340000118.2
294S35.3Very low38.7Very low115 Ų115143.2 Ų143.280%0.80482%0.815SS**  trans-157.764158.5530000114.8
295L37.7Very low38.7Very low184 Ų184142 Ų14296%0.96381%0.814SS**  trans-158.674.1164.7-112.4167.4000112.4
296R34.4Very low39.8Very low257 Ų257143.6 Ų143.697%0.9781%0.812SS**  trans-147.1101164.6-172.7-172.8-68.6-119.44.3109.6
297G32.6Very low39.8Very low82 Ų82138.2 Ų138.285%0.84580%0.801SS**  trans-177.7117177.700000109.7
298S36.6Very low39.6Very low112 Ų112137.9 Ų137.978%0.78380%0.798SS**  trans-127155.8177.4174.20000108.2
299P52.6Low39.4Very low107 Ų107138.9 Ų138.970%0.69580%0.799SS**  -137.9149.6119.236-24.8000114.7
300Q34.3Very low38.9Very low188 Ų188138.3 Ų138.388%0.87980%0.8SS**  trans40.6125.8137.7-54.9171.6900118.6
301G32.5Very low38.5Very low72 Ų72134.9 Ų134.974%0.74279%0.794SS**  cis-175.1-144.82.600000108.3
302V32.7Very low37.8Very low126 Ų126132.7 Ų132.776%0.76479%0.793SS**  cis-156.6163.9-4.5-71.20000108.3
303T36.3Very low37.7Very low123 Ų123130.6 Ų130.676%0.75579%0.79SS**  trans58.7141.5172.348.90000117.1
304E34.4Very low37.5Very low185 Ų185134.8 Ų134.886%0.86479%0.79SS**  cis-149.9-173.21-134.6164.3-14300111.5
305L38.5Very low37.6Very low160 Ų160135.1 Ų135.184%0.83879%0.788SS**  trans-118.7179.5-172.5-82.2172.4000111
306P56Low37.7Very low102 Ų102132.4 Ų132.466%0.66278%0.779SS**  cis-133.6-163.6-20.126-1.2000113.3
307S34.5Very low37.7Very low103 Ų103123.5 Ų123.572%0.7277%0.767SS**  trans85.3147.5147.4-530000120.2
308S35.2Very low38Very low93 Ų93127.3 Ų127.365%0.6577%0.766SS**  cis178.5136.1-4946.50000110.8
309L36.6Very low38.1Very low150 Ų150127.9 Ų127.979%0.78577%0.765SS**  trans70.9110.5152.1-62.9167.2000121.6
310T36.9Very low38.5Very low124 Ų124127.8 Ų127.876%0.76176%0.764SS**  55.9127.8127.964.10000123.3
311A35.6Very low38.7Very low89 Ų89123.3 Ų123.374%0.73675%0.754SS**  143.2151.2106.500000117.2
312S36.2Very low39.1Very low109 Ų109127.6 Ų127.676%0.76276%0.759SS**  trans76.3113.2146.8-61.60000123.7
313T39.5Very low39.2Very low125 Ų125126.2 Ų126.277%0.76776%0.755SS**  trans25.3143.4130.853.50000121.7
314R39.8Very low39.3Very low225 Ų225127.7 Ų127.785%0.84976%0.757SS**  cis-143.1-143.736.1-131.6163.3-162.3167.35.1111.7
315T36.8Very low39.1Very low122 Ų122125.3 Ų125.375%0.74875%0.751SS**  cis-156-147.714.3-29.30000112.1
316T40Very low38.7Very low126 Ų126127.9 Ų127.977%0.77375%0.751SS**  trans-66166.2174.443.30000114.9
317G34.7Very low37.7Very low70 Ų70127.3 Ų127.372%0.72275%0.749SS**  cis115149.420.700000110.5
318I39.3Very low38.7Very low162 Ų162128.4 Ų128.483%0.83175%0.753SS**  cis-149.1178.76.2-61.2-178.5000109.1
319T38.7Very low38.7Very low125 Ų125131.4 Ų131.477%0.76776%0.763SS**  trans-83.4-167.2177.256.50000112.9
320P59.4Low38.5Very low104 Ų104132.6 Ų132.668%0.67576%0.764SS**  cis-148.3162.33.545.4-25000121.3
321S39.8Very low38.3Very low94 Ų94132.5 Ų132.566%0.65776%0.763SS**  trans56.6151.7131.674.70000128
322L39.7Very low38.5Very low162 Ų162133 Ų13385%0.84876%0.761SS**  trans79151.9157.8-56.4-172.9000118.7
323S35.9Very low38.3Very low97 Ų97133.7 Ų133.768%0.67876%0.761SS**  cis-166.8-178-16.250.60000112.5
324L37.1Very low37.9Very low154 Ų154138.1 Ų138.181%0.80677%0.765SS**  trans-30.3164.1179.5-65.173.1000118.8
325N30.5Very low37.5Very low136 Ų136131.9 Ų131.973%0.72776%0.756SS**  cis-171.7170.439.1-158.17.4000115.8
326Y29.9Very low37.5Very low214 Ų214131.5 Ų131.584%0.83976%0.758SS**  trans76.3166.4150.4-123.3-108.3000123.2
327S35.8Very low37.9Very low89 Ų89131.4 Ų131.462%0.62276%0.76SS**  trans-146.9160.6-168.4176.30000112
328P56.2Low37.7Very low126 Ų126133.4 Ų133.482%0.81876%0.761SS**  -150.3179.1116.138.7-20.9000117.5
329N33.8Very low37.6Very low157 Ų157132.1 Ų132.184%0.8476%0.756SS**  trans-64.2162.7-178.2-75.5-35.7000117.6
330Q33.6Very low37.6Very low174 Ų174133.5 Ų133.581%0.81375%0.754SS**  trans-167.9-178.6135.5-99.4-69.330.800111.7
331T33Very low36.5Very low122 Ų122134.5 Ų134.575%0.74875%0.754SS**  trans-138.8-176.9-167.762.40000113
332S38.6Very low36.1Very low99 Ų99135 Ų13569%0.69276%0.757SS**  cis-167.7-174.614.8-152.50000114.7
333V32.8Very low35.8Very low124 Ų124135 Ų13575%0.75276%0.756SS**  trans66.6141.3156.5-70.70000126.2
334Y29.8Very low35.9Very low219 Ų219134.9 Ų134.986%0.85976%0.755SS**  trans67.2149.4149.6-96.3-132000120.1
335S31.4Very low35.8Very low94 Ų94133.2 Ų133.266%0.65775%0.751SS**  cis-169.7157.2-1342.70000112.8
336S37.6Very low36Very low114 Ų114132.3 Ų132.380%0.79775%0.751SS**  trans-89.9170.9169.1-39.20000112.3
337P48.2Very low36.3Very low124 Ų124126.5 Ų126.581%0.80574%0.742SS**  -152.1-159.378.642.5-21.3000116.3
338C31.6Very low36.1Very low111 Ų111130.3 Ų130.375%0.7576%0.755SS**  trans-78.3-172-171.655.20000114.5
339N37.2Very low35Very low135 Ų135128.8 Ų128.872%0.72275%0.754SS**  cis-171-179.136.2-160.611.2000114.7
340Q37.3Very low35Very low154 Ų154128.1 Ų128.172%0.7276%0.755SS**  trans88137.6158.6-71.1-145.994.800118.1
341N36Very low35.1Very low126 Ų126129.7 Ų129.767%0.67476%0.755SS**  cis-161.8-179.1-19.4-149.8-20.8000111
342S33.1Very low35.1Very low104 Ų104132.6 Ų132.673%0.72776%0.76SS**  trans77.7145.7167.484.90000116.1
343I32.1Very low34.6Very low162 Ų162133.4 Ų133.483%0.83176%0.764SS**  cis-140.1173.8-7.3-146164.3000111.8
344S37.4Very low34.7Very low94 Ų94135 Ų13566%0.65777%0.769SS**  trans-94164.1-170.258.60000112.8
345T35.5Very low34.9Very low119 Ų119132.1 Ų132.173%0.7377%0.765SS**  cis-160.5169.527-23.20000107.3
346T34.5Very low35.1Very low117 Ų117131.7 Ų131.772%0.71876%0.762SS**  cis-161.1162.722.4-38.70000112
347S36.6Very low34.9Very low93 Ų93133.7 Ų133.765%0.6576%0.763SS**  trans49.2108.2151.356.60000122.5
348N31.1Very low34.1Very low168 Ų168138.7 Ų138.790%0.89877%0.767SS**  53.9141.5124.4-62.43000121.2
349A34.6Very low34.2Very low95 Ų95137.9 Ų137.979%0.78577%0.769SS**  cis-144.5175.5700000112.3
350T33.4Very low33.8Very low142 Ų142135.3 Ų135.387%0.87177%0.774SS**  trans-114.2146.3-157.4-43.20000114.6
351Y34.9Very low33.5Very low208 Ų208134.8 Ų134.882%0.81678%0.776SS**  trans-75.6150.8169.4-58.2-102.8000112.5
352H33.5Very low33.4Very low183 Ų183139.6 Ų139.685%0.84778%0.784SS**  -176.1167.9113-119.6-95.3000115.2
353C28.2Very low33.4Very low116 Ų116140.2 Ų140.278%0.78479%0.789SS**  trans-110.1152.3171.7-42.80000111
354N34Very low33.4Very low158 Ų158136 Ų13685%0.84579%0.786SS**  -175.7173.6120.1-149.6-3.4000113
355M34.9Very low33.6Very low158 Ų158140 Ų14078%0.77879%0.794SS**  trans-81.4174.5165.8-51.7-152.475.500112
356S35.2Very low33.6Very low85 Ų85142 Ų14259%0.59480%0.799SS**  cis-162.7162.28.5-142.70000112.8
357L34.5Very low33.4Very low155 Ų155140.7 Ų140.781%0.81280%0.8SS**  trans54.2124.8156.7-64.7169.2000121.9
358Y31.7Very low34.1Very low229 Ų229141.9 Ų141.990%0.89881%0.806SS**  -177.7149.3115-117.5-89.1000115.4
359A31.7Very low34Very low95 Ų95138 Ų13879%0.78579%0.792SS**  trans53.1127.815500000125.7
360G29.4Very low33.9Very low80 Ų80139.5 Ų139.583%0.82579%0.791SS**  trans89.7151.3140.200000118.7
361D31Very low34Very low143 Ų143138.3 Ų138.377%0.76578%0.784SS**  cis-165.8137.6-18.817236.5000109.6
362R35.3Very low33.7Very low227 Ų227135.2 Ų135.286%0.85778%0.781SS**  trans169.7121.8140.4-98.7176.6172.3-162.9-3.8116.2
363S31.8Very low33.7Very low118 Ų118134.7 Ų134.783%0.82578%0.779SS**  trans22.1127.6137-48.80000122.2
364G33Very low34Very low74 Ų74136 Ų13676%0.76378%0.783SS**  trans-177.561.5168.500000118.6
365H40.1Very low33.9Very low177 Ų177136 Ų13682%0.81978%0.783SS**  trans54.996.7162.1-81.2-99.6000121.4
366L35.9Very low34.8Very low160 Ų160133.3 Ų133.384%0.83878%0.777SS**  52.6123.5121.3-70.7161.9000122.2
367A31.2Very low34.5Very low91 Ų91136.1 Ų136.175%0.75279%0.786SS**  trans-85.6-153.2156.900000109.9
368P49.9Very low34.3Very low117 Ų117139.4 Ų139.476%0.7679%0.789SS**  cis-128.6-161948.9-31.2000111.4
369S30.9Very low34.1Very low88 Ų88133 Ų13362%0.61578%0.777SS**  cis-172.4-177-17.935.40000108.9
370T31.1Very low34.1Very low125 Ų125134.3 Ų134.377%0.76778%0.776SS**  trans71.6152159.967.10000117.8
371V34.9Very low34.1Very low118 Ų118136.1 Ų136.172%0.71577%0.771SS**  cis-160.1170.3-18.1-97.50000108
372D30.4Very low34.2Very low143 Ų143134.8 Ų134.877%0.76577%0.768SS**  trans60.1140163.8-67-166.1000117.4
373E32.7Very low33.9Very low172 Ų172130.5 Ų130.580%0.80477%0.767SS**  cis77.2101.445.2-170.6161.6133.200114.4
374T34Very low33.8Very low142 Ų142129.2 Ų129.287%0.87176%0.758SS**  trans-179.6145.4139.519.70000112.8
375L33.3Very low33.7Very low158 Ų158131.3 Ų131.383%0.82776%0.761SS**  trans-91.3173.4157-90.9165.9000108.3
376P53.1Low33Very low103 Ų103127.3 Ų127.367%0.66975%0.753SS**  cis-149.9-169.229.744.5-22.6000118
377D28.1Very low32.8Very low144 Ų144127 Ų12777%0.7775%0.751SS**  trans39.5129.8145.4-71.4-49.8000122.8
378Y31.6Very low32.8Very low223 Ų223128.1 Ų128.188%0.87575%0.749SS**  -163.7178.692.165.1-96.2000114.2
379S27.4Very low32.1Very low94 Ų94130.4 Ų130.466%0.65775%0.749SS**  trans-81.8-179.8-167.756.80000114.1
380V31.2Very low32Very low124 Ų124131.1 Ų131.175%0.75276%0.761SS**  -156.7138.556.6174.80000114.8
381T28.4Very low32Very low118 Ų118131.2 Ų131.272%0.72476%0.757SS**  trans-4.5135.6152.5-41.30000124
382T33.2Very low31.6Very low114 Ų114133.1 Ų133.170%0.69976%0.762SS**  trans-16.5140.2146.2-45.20000121.5
383T30.3Very low31.6Very low137 Ų137132.6 Ų132.684%0.8476%0.759SS**  trans-172.2142.9137.419.80000107.3
384S30Very low31.5Very low91 Ų91129.1 Ų129.164%0.63675%0.753SS**  cis104.4118.715.5-63.40000115
385S29.1Very low31.3Very low119 Ų119124.8 Ų124.883%0.83274%0.737SS**  trans67.3161.6162.172.80000119.8
386S27Very low31.3Very low92 Ų92121.5 Ų121.564%0.64372%0.718SS**  cis-175.9148.3-41.7580000112
387L30.5Very low30.2Very low153 Ų153123.8 Ų123.880%0.80172%0.72SS**  trans66.6170.1163.1-61.7154.7000114.9
388T31.7Very low30.3Very low116 Ų116120.2 Ų120.271%0.71272%0.717SS**  cis-147.1146.821.351.60000115.7
389H35.5Very low30.8Very low165 Ų165115.4 Ų115.476%0.76471%0.713SS**  trans45.4132.3139-73.9-101.8000124.9
390A28.3Very low30.9Very low103 Ų103119.1 Ų119.185%0.85172%0.719SS**  -146.4144.9122.700000109.8
391N31Very low30.8Very low127 Ų127119 Ų11968%0.67972%0.719SS**  trans-159.7143.3-176.5179.235.2000112.8
392L27.2Very low30.8Very low158 Ų158120.6 Ų120.683%0.82772%0.718SS**  trans-148.9110.4161.8-74.6174.5000107.2
393N29.1Very low30.6Very low132 Ų132123.5 Ų123.571%0.70672%0.724SS**  66.3140.390.2-87.813.4000116
394S30.8Very low30.5Very low98 Ų98120.2 Ų120.269%0.68572%0.717SS**  cis-173.8142.6-3.844.10000114.5
395G30.6Very low30.5Very low52 Ų52127.4 Ų127.454%0.53673%0.73SS.*  trans70.1163.9142.200000122P232P232-G395 WeakPolarHBondContact CD-O 3.3Å
396Q32.6Very low30.9Very low88 Ų88130 Ų13041%0.41173%0.733SS.*  cis-170.2141.5-19.2-122.8176.7-37.600112.3N229 A230 V231N229-Q396 VanDerWaalsContact O-CD 3.23Å; N229-Q396 PolarHBondContact O-NE2 3.08Å; N229-Q396 PolarHBondContact O-OE1 3.22Å; A230-Q396 VanDerWaalsContact C-CB 3.49Å; V231-Q396 VanDerWaalsContact CA-O 3.29Å; V231-Q396 WeakPolarHBondContact CA-O 3.28Å; V231-Q396 PolarHBondContact N-O 3.08Å
397E30.2Very low31.1Very low152 Ų152129.8 Ų129.871%0.7174%0.737SS**  trans61.4161.5159-56.3178.413700118.8A230A230-E397 PolarHBondContact N-OE2 2.96Å
398G30.3Very low31Very low69 Ų69128.2 Ų128.271%0.71174%0.739SS**  cis151.9161.53.600000108.7
399P43.5Very low30.9Very low121 Ų121134.2 Ų134.279%0.78675%0.749SS**  cis-136.9-1517.444.8-24.1000115.3
400H29.6Very low30.7Very low173 Ų173137.2 Ų137.280%0.80176%0.755SS**  trans-51.3169.2-174.7-42.7-70.3000117.9
401T27.2Very low31Very low121 Ų121140.3 Ų140.374%0.74276%0.756SS**  cis-159.8156.339.947.60000116.9
402H29.1Very low31.3Very low151 Ų151141 Ų14170%0.69976%0.76SS**  trans71.9134.8146.3-86.4-132.2000122.7
403Q28.5Very low31.5Very low176 Ų176142.1 Ų142.182%0.82276%0.761SS**  trans35.2138.2137.5-54.8174.4-1.600119.8
404G28.4Very low31.7Very low67 Ų67140.4 Ų140.469%0.69177%0.765SS**  cis138.115611.600000110.9
405R31.3Very low31.8Very low242 Ų242139.4 Ų139.491%0.91377%0.77SS**  trans76.7113.8-179.3-51.2-174.1-171.5-831.4118.3
406L37.6Very low32.1Very low174 Ų174144.3 Ų144.391%0.91178%0.784SS**  13115.6127.2-54.5172.4000117.5
407A29.9Very low31.9Very low87 Ų87147.8 Ų147.872%0.71981%0.805SS**  trans-95118.6168.900000112
408S29.2Very low32.1Very low120 Ų120144.1 Ų144.184%0.83981%0.808SS**  trans-88.2126171-66.20000110.6Y410S408-Y410 PolarHBondContact O-N 3.41Å
409W29.1Very low32.1Very low243 Ų243149.3 Ų149.392%0.9281%0.813SS**  trans-94.282.8176.4-72.491.8000111.7
410Y32.1Very low31.6Very low227 Ų227151.2 Ų151.289%0.8982%0.816SS**  trans-158.291.7163.4-126.9-80.7000111.4S408S408-Y410 PolarHBondContact O-N 3.41Å
411L33.8Very low31.5Very low168 Ų168146.9 Ų146.988%0.8882%0.818SS**  trans-150.5154.8152.1-157.358.7000110
412N36.9Very low31.8Very low141 Ų141146.1 Ų146.175%0.75482%0.824SS**  trans-125.8148.2-173.1-167.3-53.6000108.5
413Q31.8Very low32Very low182 Ų182145.1 Ų145.185%0.8583%0.829SS**  trans-156157.3168.9-131.4163.495.100110.8
414A33.4Very low32.2Very low97 Ų97147.8 Ų147.880%0.80283%0.833SS**  trans-144.2157.1-166.600000112.4
415G33.5Very low32.6Very low76 Ų76150.2 Ų150.278%0.78484%0.837SS**  trans83.8150.9-178.200000113.6
416D35.5Very low32.5Very low155 Ų155142.9 Ų142.983%0.82983%0.828SS**  cis-161.3179.1-10.1-153-19.6000109.9
417L30.2Very low32.4Very low161 Ų161143.1 Ų143.184%0.84382%0.824SS**  trans67.799.1163.4-114.968.5000118.2
418G32.7Very low32.7Very low75 Ų75147.4 Ų147.477%0.77383%0.829SS**  trans-104.2-167.9169.300000113.9
419H30.5Very low33.2Very low178 Ų178148.8 Ų148.882%0.82482%0.822SS**  trans-155.2167.3163.5-151.954.6000112.5
420L33.6Very low33.6Very low161 Ų161142.3 Ų142.384%0.84381%0.806SS**  trans65.9125178-52.4179.8000116.1
421G28.3Very low34Very low83 Ų83139.6 Ų139.686%0.85680%0.799SS**  trans-128.9161.8174.600000112.1
422A32.9Very low34.6Very low105 Ų105138.1 Ų138.187%0.86879%0.787SS**  trans-141.3128.4171.600000109.6
423T32Very low35.3Very low130 Ų130135.2 Ų135.280%0.79878%0.778SS**  trans-96.6118.8-174.247.50000112.3
424Y32.7Very low36.3Very low231 Ų231130.6 Ų130.691%0.90676%0.762SS**  trans-146.5152.3154.8-86.1-68.8000110.3
425P37.8Very low37.1Very low119 Ų119135 Ų13577%0.77376%0.758SS**  trans-82.7144-160.631.9-35.8000114.2
426A30.1Very low37.8Very low87 Ų87137.6 Ų137.672%0.71975%0.75SS**  trans-91.5117.7175.600000111.9Q428A426-Q428 PolarHBondContact O-N 3.45Å
427Q35.1Very low38.7Very low179 Ų179136.4 Ų136.484%0.83674%0.741SS**  trans-86.676168.5-167.9177.11000110.2Q429Q427-Q429 PolarHBondContact O-N 2.9Å
428Q35.7Very low39.6Very low177 Ų177136.6 Ų136.683%0.82774%0.735SS**PPolyproline II helixtrans-68.3117.4173.4-75.9-169.2-2.200110.6A426A426-Q428 PolarHBondContact O-N 3.45Å
429Q39.1Very low40.4Very low149 Ų149139.1 Ų139.170%0.69673%0.727SS**PPolyproline II helixtrans-80.4145.9165-80.2-66.3-6.400111.2Q427Q427-Q429 PolarHBondContact O-N 2.9Å
430N39.1Very low41.1Very low108 Ų108135 Ų13558%0.57872%0.718SS**PPolyproline II helixtrans-89.6128.3-158.4-169.2-21.4000113.1H432N430-H432 PolarHBondContact OD1-N 2.86Å; N430-H432 VanDerWaalsContact OD1-N 3.09Å; N430-H432 PolarHBondContact OD1-ND1 2.92Å
431F39.6Very low41.8Very low169 Ų169135.6 Ų135.674%0.74172%0.717SS**  trans-132.836.2175.8-80.5-71.8000113.8S433F431-S433 PolarHBondContact O-N 3.45Å
432H47.2Very low42.7Very low137 Ų137142.7 Ų142.763%0.63472%0.717SS**G310 helixtrans-65.5-36.5176.1-72.682.1000113N430 V434 R435N430-H432 PolarHBondContact OD1-N 2.86Å; N430-H432 VanDerWaalsContact OD1-N 3.09Å; N430-H432 PolarHBondContact OD1-ND1 2.92Å; H432-V434 PolarHBondContact O-N 2.7Å; H432-R435 PolarHBondContact O-N 3.33Å
433S50Low43.4Very low81 Ų81144.7 Ų144.757%0.56671%0.712SS**G310 helixtrans-62.5-15-167.3-26.60000116.4F431 M437F431-S433 PolarHBondContact O-N 3.45Å; S433-M437 VanDerWaalsContact O-CE 3.27Å; S433-M437 WeakPolarHBondContact O-CE 3.46Å
434V53.8Low43.9Very low84 Ų84141.9 Ų141.951%0.50971%0.709SS.*G310 helixtrans-94.8-23.1-176.4-166.30000112.1H432H432-V434 PolarHBondContact O-N 2.7Å
435R50.5Low44.5Very low191 Ų191138.2 Ų138.272%0.72170%0.704SS**THydrogen-bonded Turntrans-78.3-46.5-178.4-175.3171.8-71.7-1141111.5H432 M437 F438 E439H432-R435 PolarHBondContact O-N 3.33Å; R435-M437 VanDerWaalsContact C-N 3.3Å; R435-M437 PolarHBondContact O-N 3.21Å; R435-F438 PolarHBondContact O-N 3.15Å; R435-E439 PolarHBondContact O-N 3.07Å
436E48.4Very low44.7Very low129 Ų129139.6 Ų139.660%0.60371%0.705SS**Hα-helixtrans-63-33.9-176.3-63.9179.7131.600112.9F438 E439 S440E436-F438 VanDerWaalsContact C-N 3.26Å; E436-F438 PolarHBondContact O-N 2.9Å; E436-E439 PolarHBondContact O-N 2.77Å; E436-S440 VanDerWaalsContact O-CB 3.3Å; E436-S440 WeakPolarHBondContact O-CB 3.24Å; E436-S440 PolarHBondContact O-N 2.95Å; E436-S440 PolarHBondContact O-OG 2.78Å
437M53Low45Very low131 Ų131143.4 Ų143.465%0.64571%0.714SS**Hα-helixtrans-61.3-30.9177.5-92.4-168.9-79.300113.5S433 R435S433-M437 VanDerWaalsContact O-CE 3.27Å; S433-M437 WeakPolarHBondContact O-CE 3.46Å; R435-M437 VanDerWaalsContact C-N 3.3Å; R435-M437 PolarHBondContact O-N 3.21Å
438F48.8Very low44.9Very low165 Ų165140.6 Ų140.672%0.72471%0.714SS**Hα-helixtrans-89.3-21.7179.7-85.9-81.6000113.7R435 E436R435-F438 PolarHBondContact O-N 3.15Å; E436-F438 VanDerWaalsContact C-N 3.26Å; E436-F438 PolarHBondContact O-N 2.9Å
439E50.7Low45.3Very low127 Ų127138 Ų13859%0.59371%0.712SS**Hα-helixtrans-84.5-34.6172.6-67.1-169.8124.100112.4R435 E436 Q441 R442R435-E439 PolarHBondContact O-N 3.07Å; E436-E439 PolarHBondContact O-N 2.77Å; E439-Q441 PolarHBondContact O-N 3.49Å; E439-R442 PolarHBondContact O-N 2.79Å
440S45.3Very low45.2Very low92 Ų92138.1 Ų138.164%0.64372%0.722SS**THydrogen-bonded Turntrans-57.9-17.9176.2-60.80000114.1E436E436-S440 VanDerWaalsContact O-CB 3.3Å; E436-S440 WeakPolarHBondContact O-CB 3.24Å; E436-S440 PolarHBondContact O-N 2.95Å; E436-S440 PolarHBondContact O-OG 2.78Å
441Q48.5Very low44.9Very low174 Ų174140.9 Ų140.981%0.81374%0.737SS**THydrogen-bonded Turntrans-98.38.7178.7-141.8166.258.600114E439E439-Q441 PolarHBondContact O-N 3.49Å
442R47Very low44.6Very low231 Ų231136 Ų13687%0.87273%0.734SS**THydrogen-bonded Turntrans-116.4-15.4173.8-93.4-167.5170.7-148.3-1.6115.6E439E439-R442 PolarHBondContact O-N 2.79Å
443I46.5Very low44.2Very low148 Ų148137 Ų13776%0.75975%0.745SS**  trans-107.384.9177.7-55.2-179.6000108.1
444G42.6Very low43.5Very low71 Ų71141.2 Ų141.273%0.73276%0.761SS**  trans-131.719.9-174.100000114.4
445L46.4Very low42.8Very low153 Ų153142.3 Ų142.380%0.80177%0.772SS**SBendtrans-140.8145.7173.2-70.7175.6000108.9
446N41Very low42.2Very low148 Ų148139.5 Ų139.579%0.79178%0.781SS**SBendtrans62.484.7-177.3-57.9-19.2000115.6
447N36.3Very low41.8Very low168 Ų168141.6 Ų141.690%0.89879%0.79SS**  174.6112.1114.3-85.4-17.8000111.6
448S34.3Very low41.1Very low120 Ų120143.1 Ų143.184%0.83980%0.798SS**  trans-163142.4158.2-154.20000109.8
449P44.2Very low40.4Very low122 Ų122140.8 Ų140.879%0.79280%0.802SS**  trans-82.4167.6-172.533.1-36.3000114.4
450V36.7Very low40.1Very low151 Ų151143.6 Ų143.692%0.91581%0.812SS**  trans-73121.4-175.3-178.90000112.6
451N32.3Very low40.2Very low166 Ų166144.7 Ų144.789%0.88882%0.817SS**  trans-164.4156.3144.8-153.5-6.1000112.3
452G33Very low40.1Very low66 Ų66142.4 Ų142.468%0.6882%0.818SS**  trans98.1113.7160.800000117.2
453N39.2Very low39.7Very low159 Ų159137 Ų13785%0.8582%0.815SS**  trans-67.1149.5168.2-78.7-32.4000112.4
454N35.5Very low39.4Very low169 Ų169138.6 Ų138.690%0.90482%0.819SS**  -166.8148.7117.3-95.7-36.7000111.9
455S39Very low39.1Very low107 Ų107140.5 Ų140.575%0.74882%0.821SS**  trans-106.7130.4-168.859.50000114.1
456C38.1Very low39.1Very low133 Ų133140.4 Ų140.490%0.89982%0.82SS**  trans-138101.5153-79.50000109.2
457Q39Very low39.1Very low172 Ų172143.7 Ų143.780%0.80482%0.823SS**  trans-77.2137.1169.1-71.3-176.5-15.500109.9
458M38.6Very low39.2Very low164 Ų164147.5 Ų147.581%0.80883%0.825SS**  trans-136.6118.3162.1-81.9-72.7108.100108.3
459S35.1Very low39.5Very low115 Ų115148.4 Ų148.480%0.80483%0.825SS**  trans-86.6127.6-170.6-56.30000111.9
460F43Very low39.5Very low186 Ų186148.4 Ų148.482%0.81683%0.828SS**  trans-120.1137.4167.5-70.9-83.1000110
461P48.3Very low39.7Very low116 Ų116144.3 Ų144.375%0.75382%0.817SS**  trans-73.4139.8179.830-34.3000111.3S463P461-S463 PolarHBondContact O-N 2.86Å
462P45.8Very low40Very low126 Ų126141.1 Ų141.182%0.81881%0.813SS**  trans-78.3110.7-178.730.2-33.8000111.8
463S39Very low40.4Very low116 Ų116147.3 Ų147.381%0.81182%0.822SS**  trans-73.8135158.749.40000109.6P461P461-S463 PolarHBondContact O-N 2.86Å
464Q39.4Very low40.8Very low183 Ų183146 Ų14686%0.85582%0.819SS**  trans-75.4132.2-173-64.4-166.79.700112.3
465S36.9Very low41.2Very low110 Ų110147.7 Ų147.777%0.76981%0.814SS**  trans-89.7105.5176-171.90000110.9Y467S465-Y467 VanDerWaalsContact C-N 3.3Å; S465-Y467 PolarHBondContact O-N 3.5Å; S465-Y467 VanDerWaalsContact O-N 3.09Å
466I47.3Very low41.6Very low151 Ų151148.6 Ų148.677%0.77481%0.811SS**  trans-85.967.7179.5-47.8179.3000110.4
467Y40.1Very low42.1Very low217 Ų217147.8 Ų147.885%0.85181%0.805SS**  trans-145.7116.6161.9-86.5-72.3000111.3S465S465-Y467 VanDerWaalsContact C-N 3.3Å; S465-Y467 PolarHBondContact O-N 3.5Å; S465-Y467 VanDerWaalsContact O-N 3.09Å
468R39Very low42.6Very low248 Ų248144.2 Ų144.294%0.93680%0.799SS**PPolyproline II helixtrans-66.8133.1167.3-78.2-175.8169.2-146.1-0.7109.5
469T41Very low42.7Very low140 Ų140145.4 Ų145.486%0.85980%0.8SS**PPolyproline II helixtrans-79.2135.2158.248.20000109.2
470S43.7Very low43.1Very low122 Ų122152.9 Ų152.985%0.85382%0.819SS**PPolyproline II helixtrans-73.4133.9174-60.50000110
471G40.2Very low43.1Very low65 Ų65151.3 Ų151.367%0.6782%0.819SS**PPolyproline II helixtrans-65.3141.1-178.700000112.8F473G471-F473 PolarHBondContact O-N 3.11Å
472A39.4Very low42.8Very low98 Ų98153.1 Ų153.181%0.8182%0.822SS**  trans-77.5111.8171.300000109.8V474A472-V474 PolarHBondContact O-N 2.74Å
473F41.8Very low42.7Very low197 Ų197154.6 Ų154.686%0.86482%0.822SS**  trans-77.5101.7167.6-83-89.1000109.4G471G471-F473 PolarHBondContact O-N 3.11Å
474V47.1Very low42.9Very low131 Ų131156.9 Ų156.979%0.79482%0.823SS**PPolyproline II helixtrans-76.9123163.4179.30000107.4A472A472-V474 PolarHBondContact O-N 2.74Å
475Y44Very low43.1Very low204 Ų204155.3 Ų155.380%0.882%0.821SS**PPolyproline II helixtrans-81.5118.7166.9-106-97.2000108.5
476D46.8Very low43.5Very low127 Ų127158.3 Ų158.368%0.67982%0.824SS**PPolyproline II helixtrans-84134.3163.9-161.6-23.4000108.9S478D476-S478 WeakPolarHBondContact OD1-CB 3.27Å; D476-S478 PolarHBondContact OD1-N 3.03Å; D476-S478 PolarHBondContact OD1-OG 2.96Å
477C49.4Very low43.2Very low116 Ų116158.8 Ų158.878%0.78483%0.828SS**  trans-122.832.3179.3-73.40000111.4
478S48.8Very low43.5Very low97 Ų97154.3 Ų154.368%0.67883%0.826SS**SBendtrans-119.379.8-178.4-57.70000113.9D476D476-S478 WeakPolarHBondContact OD1-CB 3.27Å; D476-S478 PolarHBondContact OD1-N 3.03Å; D476-S478 PolarHBondContact OD1-OG 2.96Å
479K40.2Very low43.9Very low189 Ų189146.5 Ų146.582%0.82282%0.817SS**  trans74.4144.5162.8-70.2-170.9174.2-175.30119.7
480F44Very low44.1Very low272 Ų272147.1 Ų147.1100%1.19381%0.813SS**  trans46.90138.9-73.6-114.7000117.9

Retrieved 480 of 480 residues in 255.2 ms (Link to these results)