Z4YJL0_MOUSE Loading...

Bromo adjacent homology domain containing 1

AlphaFold DB , UniProt , Accession Z4YJL0, Species MOUSE (Mus musculus, Mouse), Gene Bahd1, Length 772 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
1M36.4Very low35.4Very low235 Ų235171.4 Ų171.4100%1.15885%0.849SS**  0161.70-68.110078.500110.2
2T45.3Very low35.2Very low112 Ų112171.6 Ų171.669%0.68785%0.854SS**  trans-59.7153.6154.342.90000111.1
3H33.4Very low34.6Very low181 Ų181166.6 Ų166.684%0.83885%0.846SS**  -175.6154.5111.8-95.7-62.3000112.8
4T41.2Very low34.3Very low130 Ų130163.1 Ų163.180%0.79884%0.844SS**  trans-112.3131.3-17451.20000112.3
5R31.3Very low34.2Very low243 Ų243157.3 Ų157.392%0.91784%0.84SS**  trans-159.4134.8150.9-107.2173.2179.4-1690.1107.6
6R35Very low35.6Very low233 Ų233155 Ų15588%0.87984%0.836SS**  cis74.3136.437.6-95.8-168.3175.7-164.3-0.2115.4
7K35.8Very low35.4Very low208 Ų208153.6 Ų153.690%0.90483%0.834SS**  trans81.7149.1-172.4-57.2-170.5175.8-169.90113.4
8S31Very low35.1Very low117 Ų117149.2 Ų149.282%0.81883%0.831SS**  cis-138.8167.79.343.10000114.5
9L34.1Very low35.1Very low140 Ų140154.3 Ų154.373%0.73384%0.836SS**  trans-75.2-174.8168.5-65.1160.6000111.3M11L9-M11 HydrophobicContact CD1-CB 4.4Å
10P34.1Very low34.8Very low126 Ų126150.2 Ų150.282%0.81883%0.831SS**  -120137.2109.634.6-34.1000113.7
11M32.3Very low34.6Very low160 Ų160151.7 Ų151.779%0.78883%0.832SS**  trans-156.4112.5170.5-92.5-71.3104.900108.2L9L9-M11 HydrophobicContact CD1-CB 4.4Å
12L32.8Very low35.3Very low174 Ų174145.6 Ų145.691%0.91181%0.81SS**  trans-165.6150.2163.1-92.8-173.5000106.8
13S26.8Very low34.6Very low107 Ų107146.6 Ų146.675%0.74881%0.811SS**  cis-143.1171.63.661.40000112.7
14S31.4Very low34.7Very low118 Ų118146.2 Ų146.283%0.82581%0.809SS**  trans-125.6143.9159.455.30000107.8
15G32.3Very low34.2Very low75 Ų75147.3 Ų147.377%0.77381%0.807SS**  trans-180120.3176.300000114.8
16P55.8Low34.3Very low121 Ų121143 Ų14379%0.78680%0.797SS**  trans-110.9-173.6174.840.9-33.1000113.5
17T33.1Very low34.1Very low131 Ų131138.6 Ų138.680%0.80479%0.791SS**  trans84.9112.6161.9-48.50000117.9
18G30Very low34Very low75 Ų75133.3 Ų133.377%0.77378%0.781SS**  trans-105.2168.415400000110.9
19R34.2Very low33.9Very low246 Ų246134.1 Ų134.193%0.92878%0.776SS**  trans-141.5131.1-166.3-176.3-169.1-164.1-89.94.6113
20G29.2Very low33.7Very low71 Ų71134.1 Ų134.173%0.73277%0.774SS**  trans97.1121.6149.900000117.1
21E30.3Very low33.5Very low182 Ų182135 Ų13585%0.8577%0.767SS**  trans-68.9170.2161.9-148.3176.8-161.700111.2
22P52.1Low33.3Very low108 Ų108135.7 Ų135.770%0.70177%0.768SS**  -154.1148.895.137.6-18.5000118.9
23L31.5Very low33.1Very low133 Ų133130.3 Ų130.370%0.69676%0.755SS**  trans72.5117.5140.5-67.4168.1000123.6
24Q34.8Very low33Very low172 Ų172131 Ų13180%0.80476%0.755SS**  81.8143.2125.9-81.8-178.7-19.100124.8
25M29.6Very low33Very low153 Ų153134 Ų13475%0.75476%0.756SS**  trans90.6125.1150.9-140.4143.2-175.700119.3
26E34.7Very low32.6Very low152 Ų152137.4 Ų137.471%0.7176%0.756SS**  trans26.4144.4149.7-66.1159.1166.500120.8
27D29.4Very low31.2Very low141 Ų141137.6 Ų137.675%0.75476%0.755SS**  cis-153.6-176.119.9-145.3-39.4000113.4
28S34.5Very low31.3Very low98 Ų98139.1 Ų139.169%0.68575%0.753SS**  trans-62.4164.4-175.156.50000116.8
29N29Very low32Very low134 Ų134141 Ų14172%0.71775%0.752SS**  -170.715674-165.223.1000116.8
30M28.9Very low31.8Very low140 Ų140131.7 Ų131.769%0.6973%0.732SS**  trans49.2111.9156.6-85.6165.576.700124.6
31E31.7Very low31.9Very low145 Ų145135.9 Ų135.968%0.67873%0.734SS**  48133.5112-65.8-148.392.600125.1
32Q28.3Very low33.1Very low173 Ų173132.3 Ų132.381%0.80873%0.727SS**  trans59.3142.8144-60.4-177.541.800120
33G27.2Very low31.9Very low62 Ų62135.6 Ų135.664%0.63973%0.733SS**  cis178.4-166.40.200000112.6
34T26Very low31.9Very low121 Ų121134.1 Ų134.174%0.74273%0.734SS**  trans38.6103.4155.852.50000118.8
35E30Very low32.8Very low180 Ų180132 Ų13284%0.84174%0.735SS**  97.6168.487.4-86.6-177.1134.600113
36D24.1Very low32.7Very low148 Ų148128.4 Ų128.479%0.79174%0.738SS**  trans60.5116.6174.5-80.8-28.3000122.1
37V27.5Very low32.7Very low125 Ų125129.6 Ų129.676%0.75874%0.743SS**  58.1132.3122.6-179.20000121.2
38E33.6Very low33.1Very low162 Ų162129 Ų12976%0.75774%0.739SS**  trans-3.9139.3151.6-89.7-91.3134.100117.7
39P45.5Very low33Very low116 Ų116130.7 Ų130.775%0.75375%0.745SS**  -155.9172.258.142.1-22.7000119.3
40G29.1Very low33.1Very low50 Ų50127.5 Ų127.552%0.51574%0.744SS.*  trans81.6126.5130.300000119.7
41M32.9Very low33.4Very low158 Ų158132.5 Ų132.578%0.77876%0.755SS**  88.6162.977.5-78.8-76.9-90.200112.8
42P53.9Low33.9Very low108 Ų108136.9 Ų136.970%0.70177%0.766SS**  cis-115.3-173.6-3.441.1-25.1000111.7
43E28.2Very low34Very low176 Ų176138.8 Ų138.882%0.82277%0.772SS**  cis-131.1173.115.4-68-177.7134.300113.9
44S31.1Very low34.4Very low102 Ų102142.8 Ų142.871%0.71378%0.778SS**  trans-167.5178.2-173.1-87.70000108.5
45P52.8Low34.4Very low127 Ų127147.4 Ų147.483%0.82578%0.784SS**  cis-136.917713.940.5-21.6000117.1
46G27.4Very low34.9Very low79 Ų79143.8 Ų143.881%0.81478%0.775SS**  trans-175.183.2171.800000115.5
47H36.3Very low35.2Very low176 Ų176143.4 Ų143.482%0.81577%0.773SS**  trans-55.5175.5176.2-99.8-147000115.9
48L37.8Very low35.4Very low130 Ų130147.3 Ų147.368%0.68177%0.774SS**  cis167167.5-28.4-87.9-160.5000105.5
49T31.4Very low35.4Very low132 Ų132147.6 Ų147.681%0.8177%0.773SS**  cis-161.6178.8-0.95.60000107.1
50G30.9Very low34.7Very low68 Ų68153.2 Ų153.270%0.70178%0.779SS**  cis163.2123.6-6.300000115.7
51R36.3Very low34.7Very low244 Ų244155.2 Ų155.292%0.92179%0.785SS**  trans65.3103.5145.4-155.7174.2-170.2-1159.4123.3
52R40.6Very low34.6Very low238 Ų238155.6 Ų155.690%0.89879%0.789SS**  trans34.2126.3141.8-63.1-174.4177.8-165.80.1123.2
53K30.7Very low33.6Very low213 Ų213156.6 Ų156.693%0.92679%0.793SS**  -170.9179.4126.2-104.1171.6-176.5-177.60111.2
54N37.1Very low34Very low146 Ų146153.4 Ų153.478%0.78179%0.788SS**  trans-126.8156.9-166.8-85.4-45.3000115.4
55Y24.1Very low34.2Very low218 Ų218157.8 Ų157.886%0.85580%0.797SS**  trans70.4161.1164.5-69.3-61.9000118.7
56P42Very low33.3Very low103 Ų103160.5 Ų160.567%0.66980%0.795SS**  cis-141.5160.7-19.230.6-8.4000119.3
57L29.2Very low33.8Very low140 Ų140162.7 Ų162.773%0.73380%0.796SS**  trans71128.1140.9-72.2166.3000126.3
58R33.3Very low33.8Very low208 Ų208164.2 Ų164.279%0.78580%0.8SS**  trans74150.7145.8-67.1170.7174.3175.1-0.2118.2
59K32.6Very low33.5Very low168 Ų168162.2 Ų162.273%0.7380%0.802SS**  cis-164.8147.62.6-124.6174.1-177.2-178.70112.6
60R31.8Very low33.5Very low234 Ų234162.4 Ų162.488%0.88381%0.807SS**  trans65157.1157-79.5-165.2169.1160.9-4.7119.8
61S29.1Very low33.7Very low91 Ų91168 Ų16864%0.63681%0.813SS**  cis-174.1152.6-1850.20000115
62L30.1Very low33.7Very low167 Ų167163.3 Ų163.387%0.87481%0.811SS**  trans67.6153.2160.5-11266.7000115.8
63V32Very low33.4Very low129 Ų129159.2 Ų159.278%0.78281%0.806SS**  cis-139.9160.116.1170.30000109.1
64P38.3Very low33.6Very low109 Ų109157.2 Ų157.271%0.70880%0.804SS**  trans-104.1151.1-167.838.3-33.5000117.4
65E33.9Very low33.6Very low194 Ų194156.8 Ų156.891%0.90781%0.807SS**  trans-85.9159158.9-81.4-131.7110.600112.6
66K33.4Very low34Very low183 Ų183157.1 Ų157.180%0.79681%0.807SS**  trans-117146-179-70.2177-178.3171.30111.8
67P38Very low33.5Very low126 Ų126160.2 Ų160.282%0.81882%0.817SS**  trans-73.5134.9-174.229.7-35.7000113A69P67-A69 PolarHBondContact O-N 2.79Å
68K36.5Very low33.7Very low207 Ų207160.4 Ų160.490%0.981%0.814SS**  trans-86.4100.9169.7-71.7178.6-179.4171.40110.2
69A31.6Very low33.9Very low89 Ų89157.7 Ų157.774%0.73682%0.815SS**  trans-86.3116.6170.700000110.3P67 K71P67-A69 PolarHBondContact O-N 2.79Å; A69-K71 PolarHBondContact O-N 3.48Å; A69-K71 VanDerWaalsContact O-N 3.13Å
70C32.2Very low33.8Very low136 Ų136156.4 Ų156.492%0.91982%0.821SS**  trans-69.3107.4177.5-62.10000111
71K35Very low33.7Very low186 Ų186149.8 Ų149.881%0.80982%0.816SS**  trans-108130.2165.2-73.1-173.7176.1-177.70109.3A69 L73A69-K71 PolarHBondContact O-N 3.48Å; A69-K71 VanDerWaalsContact O-N 3.13Å; K71-L73 PolarHBondContact O-N 3.04Å
72V37.3Very low33.9Very low145 Ų145149 Ų14988%0.87982%0.822SS**  trans-67.5126173.7-179.90000108.7
73L34.4Very low34.1Very low152 Ų152147.1 Ų147.180%0.79682%0.82SS**  trans-105.5140.4170.6-69.6175000109.6K71 T75K71-L73 PolarHBondContact O-N 3.04Å; L73-T75 PolarHBondContact O-N 3.38Å
74L33.9Very low34Very low171 Ų171152.9 Ų152.990%0.89583%0.828SS**  trans-75.6121.3167.8-7777.1000108.5R76L74-R76 PolarHBondContact O-N 3.13Å
75T37.9Very low33.6Very low136 Ų136153.5 Ų153.583%0.83484%0.835SS**  trans-84.1100.9161.8380000109.8L73L73-T75 PolarHBondContact O-N 3.38Å
76R32.4Very low33.4Very low225 Ų225149 Ų14985%0.84983%0.83SS**  trans-68.2141.6134.3-80.4-176.1171.2-179.8-4106.6L74L74-R76 PolarHBondContact O-N 3.13Å
77L30.7Very low33.3Very low168 Ų168147.9 Ų147.988%0.8883%0.833SS**  trans-138.8130.5166.9-169.671.9000107.5
78E32.5Very low33.1Very low144 Ų144150.6 Ų150.667%0.67384%0.835SS**  trans-129.1133.9177.853.5-157.5107.900109.3
79N38.8Very low32.8Very low152 Ų152144.8 Ų144.881%0.81383%0.826SS**  trans48.9107.4155.5-51.7-22.5000120.3
80V30.3Very low32.9Very low140 Ų140147.9 Ų147.985%0.84883%0.83SS**  trans-136.2100.3142.1-1750000104.5
81A29Very low32.9Very low96 Ų96150.1 Ų150.179%0.79383%0.827SS**  65.2130.879.500000112.8
82G32.7Very low32.8Very low73 Ų73149.1 Ų149.175%0.75383%0.83SS**  trans-130.216617300000110.6
83P34.6Very low33.3Very low129 Ų129147.6 Ų147.684%0.83882%0.823SS**  trans-114142.617737.2-27.4000113.5
84R31Very low34.1Very low249 Ų249145.2 Ų145.294%0.9482%0.817SS**  trans-136.8126.5143.4-79.9-169.1172.8-171.9-3.8107.2
85S30Very low34Very low122 Ų122143.6 Ų143.685%0.85381%0.809SS**  trans-73.8154.8166.545.30000110.1
86A30Very low33.8Very low99 Ų99144.7 Ų144.782%0.81881%0.809SS**  trans-96.8165.2168.300000110.4
87D30.2Very low34.5Very low160 Ų160139.3 Ų139.386%0.85680%0.803SS**  trans-149.2174.3161.7-147.2-25.6000108.5
88E34.1Very low34.5Very low183 Ų183140.4 Ų140.486%0.85580%0.8SS**  trans67.688.9-175.9-76.4-175101.500117.9
89A29.7Very low34.9Very low86 Ų86139.4 Ų139.471%0.71181%0.806SS**  60.7140.910700000124.6
90D33.5Very low34.7Very low154 Ų154137.8 Ų137.882%0.82480%0.804SS**  trans84126141.1-69.8-13.8000126.4
91E33.5Very low34.7Very low183 Ų183136.5 Ų136.586%0.85580%0.802SS**  trans61.9162.9148.6-58.1-149.1124.600124.4
92L32.1Very low35Very low164 Ų164138.1 Ų138.186%0.85980%0.804SS**  trans-155.6169.4-168.4-74.9173.8000108.1
93P47.3Very low34.7Very low114 Ų114141 Ų14174%0.7481%0.807SS**  cis-124.6-144.9-26.541.7-23000109
94P52.1Low34.4Very low102 Ų102140.8 Ų140.866%0.66281%0.808SS**  cis-131-167.8-18.740.8-21.6000115.8
95D32.1Very low34.2Very low136 Ų136134.6 Ų134.673%0.72780%0.804SS**  trans80.695.2155.1-64-21.6000124.4
96L33.5Very low34.2Very low159 Ų159133.9 Ų133.983%0.83280%0.798SS**  49.2156.4122-66.9173.8000123.5
97P46.3Very low34.3Very low112 Ų112138.3 Ų138.373%0.72780%0.802SS**  cis-136.1161-13.937.2-18.5000117.8
98K31Very low34.2Very low191 Ų191138.1 Ų138.183%0.8380%0.801SS**  trans13.4141.6152.4-99.9175.7-178172.10122.3
99P41.6Very low34.1Very low123 Ų123133.4 Ų133.480%0.79979%0.793SS**  -140.817478.438.8-23.5000115.7
100P33.5Very low34.1Very low118 Ų118132.4 Ų132.477%0.76679%0.792SS**  trans-97.3155.1-171.537.3-34.6000115.4
101S31.7Very low34Very low114 Ų114133 Ų13380%0.79779%0.794SS**  trans-122140.2162.453.80000110.6
102P35Very low34.1Very low130 Ų130131 Ų13184%0.84479%0.794SS**PPolyproline II helixtrans-84.3158.9-169.832.3-35.8000114.8
103T25.6Very low34.2Very low134 Ų134131 Ų13182%0.82279%0.79SS**PPolyproline II helixtrans-63.9149178.245.60000114.3
104S28.7Very low33.7Very low123 Ų123130.5 Ų130.586%0.8679%0.787SS**PPolyproline II helixtrans-59.3143.3165.446.80000112.6
105S26.6Very low33.3Very low120 Ų120136.1 Ų136.184%0.83979%0.794SS**  trans-130.7151.7157.454.50000109.1
106S30.9Very low34.2Very low106 Ų106139 Ų13974%0.74180%0.801SS**  trans-77.7144.8-172.151.10000113.1
107E31.7Very low35.1Very low193 Ų193137.9 Ų137.990%0.90279%0.785SS**  178.5119.1111.9-95177.5157.200110.3
108D27.2Very low35.7Very low155 Ų155142.2 Ų142.283%0.82979%0.787SS**  trans-130.4134.7165.8-178.431.8000110.2
109A32.3Very low37Very low84 Ų84137 Ų13769%0.69477%0.768SS**  trans-95.9102-17000000110.7L111A109-L111 PolarHBondContact O-N 3.08Å; A109-L111 VanDerWaalsContact O-N 3.1Å
110G30.2Very low37.8Very low66 Ų66131.9 Ų131.968%0.6874%0.736SS**  trans-45.6111-168.800000116.2V112G110-V112 PolarHBondContact O-N 3.11Å; G110-V112 VanDerWaalsContact O-N 3.12Å
111L32.1Very low39.1Very low167 Ų167126.9 Ų126.987%0.87470%0.704SS**  trans-61109.8175.8-71.2170.7000111.9A109 Q113A109-L111 PolarHBondContact O-N 3.08Å; A109-L111 VanDerWaalsContact O-N 3.1Å; L111-Q113 PolarHBondContact O-N 3.4Å
112V34.3Very low40.7Very low139 Ų139126.4 Ų126.484%0.84269%0.692SS**  trans-69.2102.7-179.2-179.80000111.1G110G110-V112 PolarHBondContact O-N 3.11Å; G110-V112 VanDerWaalsContact O-N 3.12Å
113Q33.8Very low42.2Very low165 Ų165121.4 Ų121.477%0.77166%0.658SS**PPolyproline II helixtrans-56.9133.1-179.1-160179.373.800111.9L111 R115L111-Q113 PolarHBondContact O-N 3.4Å; Q113-R115 PolarHBondContact O-N 3Å
114P37.4Very low44.2Very low104 Ų104115 Ų11568%0.67562%0.619SS**PPolyproline II helixtrans-66.8120.6-170.623.9-34000112.7K116P114-K116 PolarHBondContact O-N 3.11Å; P114-K116 VanDerWaalsContact O-N 3.12Å
115R43.4Very low46.3Very low219 Ų219112.5 Ų112.583%0.82659%0.593SS**PPolyproline II helixtrans-54.4116.5177.7-72.2177.2171.7158.8-2.8111.3Q113 R117 R118Q113-R115 PolarHBondContact O-N 3Å; R115-R117 PolarHBondContact O-N 3.4Å; R115-R118 PolarHBondContact O-N 3.42Å; R115-R118 VanDerWaalsContact O-N 3.1Å
116K51.7Low48.3Very low198 Ų198109 Ų10986%0.86157%0.572SS**THydrogen-bonded Turntrans-50.6-17.3-177.5-63.6179.3180176.80115.4P114 R118P114-K116 PolarHBondContact O-N 3.11Å; P114-K116 VanDerWaalsContact O-N 3.12Å; K116-R118 VanDerWaalsContact C-N 3.28Å; K116-R118 PolarHBondContact O-N 3.12Å
117R51.3Low50.1Low135 Ų135104.1 Ų104.151%0.50954%0.537SS..Hα-helixtrans-63.6-22.2175.1-166.4174.3-176.3178.91.2114.3R115R115-R117 PolarHBondContact O-N 3.4Å
118R59.7Low51.7Low203 Ų20395.1 Ų95.177%0.76650%0.495SS*.Hα-helixtrans-67.3-43.7-178.1-80.8-172.1169.8-173.9-2.2113.7R115 K116 A120 S121 L122R115-R118 PolarHBondContact O-N 3.42Å; R115-R118 VanDerWaalsContact O-N 3.1Å; K116-R118 VanDerWaalsContact C-N 3.28Å; K116-R118 PolarHBondContact O-N 3.12Å; R118-A120 PolarHBondContact O-N 3.1Å; R118-S121 PolarHBondContact O-N 2.75Å; R118-S121 VanDerWaalsContact O-N 3.11Å; R118-L122 PolarHBondContact O-N 2.71Å
119L58.4Low53.5Low81 Ų8189.9 Ų89.942%0.42447%0.467SS..Hα-helixtrans-59.9-46.9-168-177.554.9000112.6S121 L122 N123 N770L119-S121 VanDerWaalsContact C-N 3.26Å; L119-S121 PolarHBondContact O-N 3.3Å; L119-L122 PolarHBondContact O-N 3.06Å; L119-N123 WeakPolarHBondContact O-CB 3.48Å; L119-N123 PolarHBondContact O-N 3.39Å; L119-N123 PolarHBondContact O-ND2 3.05Å; L119-N770 VanDerWaalsContact CD2-OD1 3.26Å; L119-N770 WeakPolarHBondContact CD2-OD1 3.4Å
120A58.8Low54.8Low16 Ų1690.2 Ų90.213%0.13246%0.457CS..Hα-helixtrans-59.6-33.9178.500000113.6R118 N123 A124 R757R118-A120 PolarHBondContact O-N 3.1Å; A120-N123 WeakPolarHBondContact O-CB 3.4Å; A120-N123 PolarHBondContact O-N 3.23Å; A120-A124 PolarHBondContact O-N 3.28Å; A120-R757 CarbonylContact C-O 3.56Å
121S61.3Low56.1Low12 Ų1288.9 Ų88.98%0.08443%0.434CS..Hα-helixtrans-82.4-37-178.5-57.20000112.6R118 L119 N123 A124 E125 R757R118-S121 PolarHBondContact O-N 2.75Å; R118-S121 VanDerWaalsContact O-N 3.11Å; L119-S121 VanDerWaalsContact C-N 3.26Å; L119-S121 PolarHBondContact O-N 3.3Å; S121-N123 PolarHBondContact O-N 3.13Å; S121-A124 PolarHBondContact O-N 3.47Å; S121-E125 WeakPolarHBondContact O-CB 3.34Å; S121-E125 PolarHBondContact O-N 3.13Å; S121-R757 WeakPolarHBondContact CA-O 3.4Å; S121-R757 PolarHBondContact N-O 2.92Å; S121-R757 WeakPolarHBondContact OG-CG 3.39Å; S121-R757 PolarHBondContact OG-NE 3.06Å; S121-R757 PolarHBondContact OG-O 3.08Å
122L63.4Low57.1Low105 Ų10581.1 Ų81.155%0.5539%0.393SS..Hα-helixtrans-62.7-31.9166.8-179.7142.8000111.5R118 L119 E125 A126R118-L122 PolarHBondContact O-N 2.71Å; L119-L122 PolarHBondContact O-N 3.06Å; L122-E125 WeakPolarHBondContact O-CB 3.49Å; L122-A126 VanDerWaalsContact O-CB 3.3Å; L122-A126 WeakPolarHBondContact O-CB 3.25Å; L122-A126 PolarHBondContact O-N 3.03Å
123N66.8Low57.9Low25 Ų2577.7 Ų77.713%0.13437%0.368CS..Hα-helixtrans-73.8-33.7174.9-85-17.8000113.8L119 A120 S121 L127 P771L119-N123 WeakPolarHBondContact O-CB 3.48Å; L119-N123 PolarHBondContact O-N 3.39Å; L119-N123 PolarHBondContact O-ND2 3.05Å; A120-N123 WeakPolarHBondContact O-CB 3.4Å; A120-N123 PolarHBondContact O-N 3.23Å; S121-N123 PolarHBondContact O-N 3.13Å; N123-L127 PolarHBondContact O-N 3Å; N123-P771 HydrophobicContact CB-CG 3.5Å
124A69.2Low58.6Low0 Ų078.7 Ų78.70%037%0.365CS..Hα-helixtrans-74-33.6171.800000111.9A120 S121 L127 N128 V759A120-A124 PolarHBondContact O-N 3.28Å; S121-A124 PolarHBondContact O-N 3.47Å; A124-L127 WeakPolarHBondContact O-CB 3.43Å; A124-L127 PolarHBondContact O-N 2.89Å; A124-N128 VanDerWaalsContact O-CG 3.25Å; A124-N128 PolarHBondContact O-N 3.15Å; A124-N128 PolarHBondContact O-ND2 3.28Å; A124-V759 HydrophobicContact CB-CG2 4.24Å
125E71.6Confident59Low70 Ų7076.6 Ų76.633%0.32735%0.346SS..Hα-helixtrans-62.6-49.9167.1179.4173.7-162.200111.1S121 L122 L127 N128 N129 T704S121-E125 WeakPolarHBondContact O-CB 3.34Å; S121-E125 PolarHBondContact O-N 3.13Å; L122-E125 WeakPolarHBondContact O-CB 3.49Å; E125-L127 CarbonylContact O-C 3.29Å; E125-L127 PolarHBondContact O-N 3.46Å; E125-L127 VanDerWaalsContact O-N 3.15Å; E125-N128 CarbonylContact O-C 3.19Å; E125-N128 WeakPolarHBondContact O-CA 3.34Å; E125-N128 WeakPolarHBondContact O-CB 3.44Å; E125-N128 PolarHBondContact O-N 3.44Å; E125-N129 WeakPolarHBondContact O-CB 3.11Å; E125-N129 PolarHBondContact O-N 3.15Å; E125-N129 PolarHBondContact O-OD1 3.01Å; E125-T704 HydrophobicContact CB-CG2 3.85Å; E125-T704 HydrophobicContact CG-CG2 3.82Å
126A67.9Low58.8Low46 Ų4671.5 Ų71.538%0.3833%0.332SS..Hα-helixtrans-56.1-32.8173.700000112.3L122 L130L122-A126 VanDerWaalsContact O-CB 3.3Å; L122-A126 WeakPolarHBondContact O-CB 3.25Å; L122-A126 PolarHBondContact O-N 3.03Å; A126-L130 WeakPolarHBondContact O-CB 3.46Å; A126-L130 PolarHBondContact O-N 2.84Å
127L69Low58.1Low3 Ų366.7 Ų66.72%0.01632%0.319CS..Hα-helixtrans-67.9-53.6168.9-150.988.7000111.8N123 A124 E125 N129 L130 L131 A684 R686 V759N123-L127 PolarHBondContact O-N 3Å; A124-L127 WeakPolarHBondContact O-CB 3.43Å; A124-L127 PolarHBondContact O-N 2.89Å; E125-L127 CarbonylContact O-C 3.29Å; E125-L127 PolarHBondContact O-N 3.46Å; E125-L127 VanDerWaalsContact O-N 3.15Å; L127-N129 PolarHBondContact O-N 3.06Å; L127-N129 VanDerWaalsContact O-N 3.09Å; L127-L130 PolarHBondContact O-N 3.18Å; L127-L131 HydrophobicContact CD2-CD1 3.89Å; L127-L131 HydrophobicContact CD2-CG 4.48Å; L127-L131 HydrophobicContact CG-CD1 4.02Å; L127-L131 HydrophobicContact CG-CG 4.15Å; L127-L131 WeakPolarHBondContact O-CB 3.37Å; L127-L131 WeakPolarHBondContact O-CG 3.35Å; L127-L131 PolarHBondContact O-N 3.13Å; L127-A684 HydrophobicContact CD2-CB 3.54Å; L127-R686 HydrophobicContact CD1-CG 3.85Å; L127-R686 HydrophobicContact CD2-CG 4.5Å; L127-V759 HydrophobicContact CB-CG2 3.94Å; L127-V759 HydrophobicContact CD1-CG1 4.19Å; L127-V759 HydrophobicContact CD1-CG2 4.28Å; L127-V759 HydrophobicContact CD2-CG1 3.93Å; L127-V759 HydrophobicContact CD2-CG2 4.02Å; L127-V759 HydrophobicContact CG-CG2 4.29Å
128N65.5Low57.5Low5 Ų563.4 Ų63.43%0.02732%0.317CS..Hα-helixtrans-53.3-31.2178.1-71.7-21.7000113.2A124 E125 Y660A124-N128 VanDerWaalsContact O-CG 3.25Å; A124-N128 PolarHBondContact O-N 3.15Å; A124-N128 PolarHBondContact O-ND2 3.28Å; E125-N128 CarbonylContact O-C 3.19Å; E125-N128 WeakPolarHBondContact O-CA 3.34Å; E125-N128 WeakPolarHBondContact O-CB 3.44Å; E125-N128 PolarHBondContact O-N 3.44Å; N128-Y660 PolarHBondContact OD1-OH 2.72Å
129N64.8Low56.5Low44 Ų4457.8 Ų57.824%0.23531%0.308CS..Hα-helixtrans-78.4-60.1175.2-64.516.8000111E125 L127 L131 L132 E133 R742E125-N129 WeakPolarHBondContact O-CB 3.11Å; E125-N129 PolarHBondContact O-N 3.15Å; E125-N129 PolarHBondContact O-OD1 3.01Å; L127-N129 PolarHBondContact O-N 3.06Å; L127-N129 VanDerWaalsContact O-N 3.09Å; N129-L131 PolarHBondContact O-N 3.12Å; N129-L131 VanDerWaalsContact O-N 3.11Å; N129-L132 PolarHBondContact O-N 3.25Å; N129-E133 WeakPolarHBondContact CA-OE2 3.38Å; N129-E133 WeakPolarHBondContact CB-OE2 3.45Å; N129-E133 VanDerWaalsContact CG-OE2 3.25Å; N129-E133 WeakPolarHBondContact O-CB 3.47Å; N129-E133 PolarHBondContact O-N 3.27Å; N129-R742 PolarHBondContact OD1-NH2 2.8Å
130L60.5Low55.4Low91 Ų9160.9 Ų60.948%0.47632%0.324SS..Hα-helixtrans-54.8-34.4-177.8177.664.7000112.9A126 L127 L132A126-L130 WeakPolarHBondContact O-CB 3.46Å; A126-L130 PolarHBondContact O-N 2.84Å; L127-L130 PolarHBondContact O-N 3.18Å; L130-L132 PolarHBondContact O-N 3.16Å
131L57.8Low54.2Low38 Ų3862.8 Ų62.820%0.19934%0.341CS..THydrogen-bonded Turntrans-63.8-18.4179.1-78.3-179.8000114.6L127 N129 L658L127-L131 HydrophobicContact CD2-CD1 3.89Å; L127-L131 HydrophobicContact CD2-CG 4.48Å; L127-L131 HydrophobicContact CG-CD1 4.02Å; L127-L131 HydrophobicContact CG-CG 4.15Å; L127-L131 WeakPolarHBondContact O-CB 3.37Å; L127-L131 WeakPolarHBondContact O-CG 3.35Å; L127-L131 PolarHBondContact O-N 3.13Å; N129-L131 PolarHBondContact O-N 3.12Å; N129-L131 VanDerWaalsContact O-N 3.11Å; L131-L658 HydrophobicContact CB-CD1 3.84Å; L131-L658 HydrophobicContact CD1-CB 4.45Å; L131-L658 HydrophobicContact CD1-CD1 4.14Å; L131-L658 HydrophobicContact CD1-CD2 4.45Å; L131-L658 HydrophobicContact CD2-CD1 3.76Å; L131-L658 HydrophobicContact CD2-CD2 3.58Å; L131-L658 HydrophobicContact CD2-CG 4.25Å; L131-L658 HydrophobicContact CG-CD1 4.09Å
132L52.7Low52.8Low5 Ų564.6 Ų64.63%0.02636%0.361CS..THydrogen-bonded Turntrans-147.3-24.3-169.5-66.5171.2000116.4N129 L130 R621 K640N129-L132 PolarHBondContact O-N 3.25Å; L130-L132 PolarHBondContact O-N 3.16Å; L132-R621 HydrophobicContact CB-CG 4.25Å; L132-R621 HydrophobicContact CD1-CB 3.95Å; L132-R621 HydrophobicContact CD1-CG 3.95Å; L132-R621 HydrophobicContact CD2-CG 4.27Å; L132-R621 HydrophobicContact CG-CG 4.39Å; L132-R621 PolarHBondContact O-NE 3.15Å; L132-R621 PolarHBondContact O-NH2 3.35Å; L132-K640 HydrophobicContact CD1-CD 3.46Å; L132-K640 VanDerWaalsContact CD1-CD 3.46Å; L132-K640 HydrophobicContact CD1-CG 3.82Å
133E51.9Low51.4Low66 Ų6663.5 Ų63.531%0.30837%0.367SS..SBendtrans-89.3-22.7-168.7-66.917417700113.1N129 E135 R742N129-E133 WeakPolarHBondContact CA-OE2 3.38Å; N129-E133 WeakPolarHBondContact CB-OE2 3.45Å; N129-E133 VanDerWaalsContact CG-OE2 3.25Å; N129-E133 WeakPolarHBondContact O-CB 3.47Å; N129-E133 PolarHBondContact O-N 3.27Å; E133-E135 PolarHBondContact O-N 2.83Å; E133-R742 IonicContact OE1-CZ 3.51Å; E133-R742 IonicContact OE1-NH2 2.72Å; E133-R742 PolarHBondContact OE1-NH2 3.02Å
134R47.3Very low49.9Very low186 Ų18673.6 Ų73.670%0.70240%0.403SS*.Hα-helixtrans-65.7-20.1176.6-166.8175.5-178.71110.3113.7T137 S138R134-T137 PolarHBondContact O-OG1 3.4Å; R134-T137 VanDerWaalsContact O-OG1 3.09Å; R134-S138 PolarHBondContact O-N 3.2Å
135E46.1Very low48.4Very low60 Ų6084.5 Ų84.528%0.2845%0.445SS..Hα-helixtrans-80.4-40.4-168.5-153.8178.5-161.300113.4E133 S138 S139 K592E133-E135 PolarHBondContact O-N 2.83Å; E135-S138 PolarHBondContact O-N 3.48Å; E135-S138 PolarHBondContact O-OG 2.88Å; E135-S139 PolarHBondContact O-N 3.12Å; E135-S139 PolarHBondContact O-OG 3.39Å; E135-K592 WeakPolarHBondContact OE1-CE 3.24Å; E135-K592 IonicContact OE1-NZ 3.43Å; E135-K592 PolarHBondContact OE1-NZ 3.27Å; E135-K592 WeakPolarHBondContact OE2-CE 3.24Å; E135-K592 IonicContact OE2-NZ 3.15Å; E135-K592 PolarHBondContact OE2-NZ 2.98Å
136E40.2Very low46.6Very low113 Ų11386 Ų8653%0.52846%0.463SS..Hα-helixtrans-67.4-39.5178.2-76.3169.9164.400112.2S138 S139 L140 R621E136-S138 VanDerWaalsContact C-N 3.34Å; E136-S138 PolarHBondContact O-N 3.19Å; E136-S139 WeakPolarHBondContact O-CB 3.5Å; E136-S139 PolarHBondContact O-N 2.84Å; E136-L140 PolarHBondContact O-N 3.37Å; E136-R621 VanDerWaalsContact CD-CZ 3.41Å; E136-R621 IonicContact OE1-CZ 2.71Å; E136-R621 IonicContact OE1-NH1 3.7Å; E136-R621 PolarHBondContact OE1-NH1 2.9Å; E136-R621 IonicContact OE1-NH2 3.15Å; E136-R621 IonicContact OE2-CZ 3.44Å; E136-R621 IonicContact OE2-NH1 3.3Å; E136-R621 PolarHBondContact OE2-NH1 2.91Å; E136-R621 IonicContact OE2-NH2 2.86Å; E136-R621 PolarHBondContact OE2-NH2 3.29Å
137T35.4Very low44.9Very low97 Ų9795.9 Ų95.960%0.59549%0.49SS*.Hα-helixtrans-65.9-36.7174.649.90000111.8R134 A141R134-T137 PolarHBondContact O-OG1 3.4Å; R134-T137 VanDerWaalsContact O-OG1 3.09Å; T137-A141 VanDerWaalsContact O-CB 3.22Å; T137-A141 WeakPolarHBondContact O-CB 3.39Å; T137-A141 PolarHBondContact O-N 3.33Å
138S38.3Very low43Very low66 Ų66100 Ų10046%0.46253%0.533SS..Hα-helixtrans-66.8-35173.374.20000113.1R134 E135 E136 L140 A141 G142R134-S138 PolarHBondContact O-N 3.2Å; E135-S138 PolarHBondContact O-N 3.48Å; E135-S138 PolarHBondContact O-OG 2.88Å; E136-S138 VanDerWaalsContact C-N 3.34Å; E136-S138 PolarHBondContact O-N 3.19Å; S138-L140 PolarHBondContact O-N 3.03Å; S138-A141 PolarHBondContact O-N 3.1Å; S138-G142 PolarHBondContact O-N 3.35Å
139S39.1Very low41.2Very low84 Ų84103.8 Ų103.859%0.58757%0.573SS**Hα-helixtrans-65.9-37.6179.3-60.40000112.3E135 E136E135-S139 PolarHBondContact O-N 3.12Å; E135-S139 PolarHBondContact O-OG 3.39Å; E136-S139 WeakPolarHBondContact O-CB 3.5Å; E136-S139 PolarHBondContact O-N 2.84Å
140L36.2Very low39.6Very low146 Ų146109.6 Ų109.676%0.76460%0.604SS**Hα-helixtrans-80.5-33.9174-73.7166.5000113.1E136 S138E136-L140 PolarHBondContact O-N 3.37Å; S138-L140 PolarHBondContact O-N 3.03Å
141A32.9Very low39.2Very low57 Ų57110.3 Ų110.347%0.47162%0.615SS.*Hα-helixtrans-74.3-31.1-179.900000113.8T137 S138 A143T137-A141 VanDerWaalsContact O-CB 3.22Å; T137-A141 WeakPolarHBondContact O-CB 3.39Å; T137-A141 PolarHBondContact O-N 3.33Å; S138-A141 PolarHBondContact O-N 3.1Å; A141-A143 VanDerWaalsContact C-N 3.32Å; A141-A143 PolarHBondContact O-N 3.22Å
142G33.3Very low37.9Very low50 Ų50117.2 Ų117.252%0.51565%0.646SS.*Hα-helixtrans-64-33.5-179.200000113.7S138 R144 R145S138-G142 PolarHBondContact O-N 3.35Å; G142-R144 PolarHBondContact O-N 3.4Å; G142-R145 PolarHBondContact O-N 2.93Å
143A33.1Very low36.8Very low82 Ų82127.3 Ų127.368%0.67868%0.683SS**THydrogen-bonded Turntrans-71.40.2-17500000115.4A141A141-A143 VanDerWaalsContact C-N 3.32Å; A141-A143 PolarHBondContact O-N 3.22Å
144R35.8Very low35.8Very low237 Ų237129 Ų12989%0.89470%0.702SS**THydrogen-bonded Turntrans-120.312.2-179.7-76.6-166.4173.6-143.10.3115.2G142G142-R144 PolarHBondContact O-N 3.4Å
145R38.2Very low35Very low229 Ų229130.3 Ų130.386%0.86471%0.707SS**  trans-131.757-179.6-59.1-166.7-166.6-157.44.6113.9G142G142-R145 PolarHBondContact O-N 2.93Å
146S33.4Very low34.2Very low101 Ų101135.1 Ų135.171%0.70674%0.735SS**  trans-145.969175.549.10000113.3
147R31.8Very low33.8Very low253 Ų253140.1 Ų140.196%0.95575%0.749SS**  trans-146.8121.6161.5-91.5-163174-156.4-2112.2
148G28.8Very low33.4Very low89 Ų89140 Ų14092%0.91876%0.757SS**  trans86.2122158.500000116.7
149G27.9Very low32.9Very low85 Ų85143 Ų14388%0.87677%0.774SS**  trans135.383.3168.300000113.7
150D31.5Very low32.3Very low166 Ų166142.5 Ų142.589%0.88878%0.782SS**  trans-99.3154.6175.3-138.823000110.5
151P52.7Low31.8Very low106 Ų106140.7 Ų140.769%0.68878%0.781SS**  trans-104.2162.5-159.639.1-36.5000115.4
152H29.6Very low31.4Very low184 Ų184149.5 Ų149.585%0.85280%0.802SS**  trans-157.8166.6149.4-138.9-99.1000115.8
153R30Very low31.1Very low217 Ų217151.3 Ų151.382%0.81981%0.807SS**  trans73.7101.9179.1-65-170.2174.7-162.4-2.4115
154S31.2Very low30.8Very low100 Ų100156.7 Ų156.770%0.69982%0.816SS**  74.697.569740000112.3
155R30.8Very low30.4Very low215 Ų215149.5 Ų149.581%0.81180%0.801SS**  92.3114.676.4172.5-174.5174.8171.51.3110.8
156D27.5Very low30Very low161 Ų161147.6 Ų147.686%0.86180%0.8SS**  trans-156.7175.4131.3-114.3-28.8000113.8
157R32.5Very low29.7Very low217 Ų217152.6 Ų152.682%0.81981%0.808SS**  trans-143.4122.6-161176.3-159.9-78-171.3-6.6114.5
158A27.1Very low29.9Very low94 Ų94149.9 Ų149.978%0.77780%0.798SS**  trans-148.8138.1151.500000107.8
159T28.4Very low30.1Very low131 Ų131151.6 Ų151.680%0.80479%0.793SS**  cis96121.533.2-60.20000112.4
160G26.6Very low30.2Very low73 Ų73156.7 Ų156.775%0.75379%0.786SS**  trans91.9120.2-178.300000112.8
161S24.8Very low30.3Very low108 Ų108155.6 Ų155.676%0.75578%0.779SS**  cis93.895.317.3-160.30000117
162W24.2Very low29.3Very low241 Ų241153.6 Ų153.691%0.91378%0.778SS**  trans64.7124.5141.2-80-0.1000123.4
163S28.3Very low29.3Very low89 Ų89152 Ų15262%0.62278%0.776SS**  104.2124.9122.9-73.80000123.2
164F25.2Very low29.5Very low195 Ų195149.3 Ų149.386%0.85578%0.777SS**  trans53126.9138.2-81.5-88.5000119.9
165S28.4Very low29.3Very low85 Ų85148.1 Ų148.159%0.59478%0.78SS**  cis164.5168.143.756.50000112.1
166K30.2Very low29.2Very low190 Ų190147.6 Ų147.683%0.82679%0.787SS**  trans65.4157.8155.4-74.2164.3-179170.70116.3
167K27.2Very low29.1Very low205 Ų205143.5 Ų143.589%0.89178%0.783SS**  cis-145.2-172.115.9-135.5162.9-176.2-177.30111.8
168R34.2Very low28.9Very low197 Ų197138.9 Ų138.974%0.74378%0.784SS**  trans-113.4172.9-170-148.7-160.3-154.1153.96.6112.6
169P33.4Very low29.2Very low125 Ų125144.4 Ų144.481%0.81279%0.785SS**  -143.6-160.5113.833.4-14000117.7
170R31Very low29Very low191 Ų191143.7 Ų143.772%0.72178%0.776SS**  trans-153.6171.3-162.8-88.4-92.9-139.9-162.421.8108.8
171L32.6Very low29.1Very low143 Ų143147.7 Ų147.775%0.74978%0.779SS**  cis178.3152.8-22.4165.670.3000110.1
172G31.6Very low29.1Very low65 Ų65147.4 Ų147.467%0.6778%0.777SS**  trans109166.1149.300000116.9
173D30.6Very low29.8Very low150 Ų150141.8 Ų141.880%0.80277%0.772SS**  cis-169.1172-15.2-157.24000112.3
174L33.8Very low29.5Very low161 Ų161145.4 Ų145.484%0.84378%0.779SS**  trans68.3161.5167.4-51.7175.4000118.8
175G26.1Very low29.7Very low74 Ų74143.6 Ų143.676%0.76378%0.777SS**  cis141.2151.1-7.600000113.1
176E28.5Very low29.5Very low205 Ų205144 Ų14496%0.95879%0.785SS**  cis-171.4154.1-17.5-175.4165101.300112.4
177G26.8Very low29.9Very low75 Ų75140.1 Ų140.177%0.77378%0.78SS**  trans99.8168.1164.900000119.1
178S28.7Very low29.8Very low120 Ų120137.2 Ų137.284%0.83977%0.774SS**  cis-172.7172.1-22.2-166.20000112.1
179R31.7Very low29.4Very low210 Ų210135.6 Ų135.679%0.79278%0.775SS**  trans75.7167.3174-63.1-169.8175.5-78.10.6118.3
180D25.2Very low29.1Very low115 Ų115132.3 Ų132.362%0.61576%0.764SS**  cis-169.1-175.2-29.1-82.9-18.3000106.8
181L28.8Very low29.2Very low157 Ų157127.2 Ų127.282%0.82276%0.763SS**  cis-155.6-143.3-1.5-135.3173.3000111.3
182S25.5Very low29.2Very low102 Ų102131.9 Ų131.971%0.71377%0.771SS**  trans-134.4180-178.6-38.10000111.7
183P38Very low29.4Very low124 Ų124138.4 Ų138.481%0.80578%0.775SS**  cis-140.7-150.745.637-12.9000113.8
184E23Very low29.4Very low164 Ų164137.2 Ų137.277%0.76677%0.769SS**  -163.6173.7-68.3-161-155.913600109.1
185L28Very low29.1Very low158 Ų158132.9 Ų132.983%0.82776%0.762SS**  trans86.6160.3163.5-61.6172.4000121.5
186A24.6Very low29.3Very low92 Ų92136.5 Ų136.576%0.7676%0.764SS**  trans-134.7-153.8-168.900000109.2
187P39.8Very low30.3Very low109 Ų109132.7 Ų132.771%0.70876%0.757SS**  cis-138.8-146.8-0.344.5-22.3000114.5
188D24.6Very low30.6Very low144 Ų144132.6 Ų132.677%0.7775%0.749SS**  trans70.8154.5159.4-88.628.3000120.5
189E26.3Very low31.2Very low163 Ų163132.4 Ų132.476%0.76275%0.745SS**  cis-161.8153-25.9-141-69.89500109.6
190G26.8Very low31.4Very low57 Ų57131.6 Ų131.659%0.58875%0.747SS**  trans68.7174.9158.300000120
191A31.8Very low31.7Very low84 Ų84137.1 Ų137.169%0.69476%0.76SS**  cis-168.2128-27.100000113.4
192R32.3Very low32Very low241 Ų241137 Ų13791%0.90976%0.759SS**  trans65.3171.6153.9-61.8175.6-175.5-161-0.3115.2
193R36Very low32.3Very low202 Ų202136.3 Ų136.376%0.76276%0.759SS**  cis-160167.8-8.1-115.6-94.6-160.3-160.411.1104.7
194D30.8Very low32.2Very low125 Ų125135.6 Ų135.667%0.66876%0.758SS**  cis-158.4-171.84.1-155.4-7.7000109.7
195G27.6Very low32.6Very low69 Ų69135.8 Ų135.871%0.71176%0.763SS**  trans13470.5145.700000120.1
196D31.8Very low33Very low151 Ų151135.3 Ų135.381%0.80776%0.761SS**  trans-80.6169.2162.9-119.3-29.8000110.8
197P48.7Very low33.3Very low125 Ų125135.5 Ų135.581%0.81276%0.763SS**  cis-147.2176.341.342.5-22.2000118.6
198A31.9Very low32.8Very low73 Ų73135 Ų13560%0.60377%0.768SS**  trans-130161.3173.200000114.6
199P41.9Very low33.4Very low116 Ų116132.2 Ų132.275%0.75377%0.765SS**  trans-100.9129.3153.334.7-26.1000110.6
200K35.6Very low33.9Very low192 Ų192133.6 Ų133.684%0.83577%0.769SS**  60.8122.559.1-66.2174.1-177.41660111.9
201R33.1Very low34.5Very low232 Ų232138 Ų13888%0.87578%0.778SS**  cis-134.1-159.1-8.3-73.5162.1152.7171.8-6.3106.2
202L34.5Very low34.7Very low153 Ų153143.1 Ų143.180%0.80179%0.785SS**  cis-162.8145.73.3-168.476.5000106.3
203A31.3Very low34.8Very low88 Ų88140 Ų14073%0.72779%0.785SS**  cis-161.8-174-31.100000107.6
204S35.2Very low34.5Very low110 Ų110135.4 Ų135.477%0.76978%0.784SS**  trans-139.1155.9169.361.90000110.6
205L32.8Very low34.7Very low168 Ų168138.1 Ų138.188%0.8879%0.793SS**  trans-154.1128.4166.1-108.3172.2000111.6
206N35.8Very low34.9Very low147 Ų147144.3 Ų144.379%0.78680%0.803SS**  trans-93.3-176.7162.3-52.6-78.2000107.9
207A31.6Very low35.2Very low96 Ų96147.9 Ų147.979%0.79381%0.805SS**  cis-162.71697.500000109.3
208A29.3Very low34.3Very low99 Ų99150.4 Ų150.482%0.81881%0.806SS**  trans-170.5160143.300000114
209A37.3Very low34.3Very low86 Ų86154.9 Ų154.971%0.71182%0.819SS**  trans68.381.2150.400000122
210F36.8Very low34.3Very low192 Ų192154.5 Ų154.584%0.84282%0.817SS**  41.8122.8128.7-62.7-71.5000124.5
211L39.1Very low34Very low148 Ų148154.1 Ų154.178%0.77582%0.823SS**  trans44.5113131.3-57.7172.3000120.1
212K35.3Very low33.9Very low192 Ų192154.2 Ų154.284%0.83582%0.823SS**  61.6111.278-93.4-164.6171.7-1740116.8
213L33.8Very low33.8Very low175 Ų175153.2 Ų153.292%0.91683%0.826SS**  172.6153.3127.8-91.5169.2000107.1
214S30.1Very low33.6Very low107 Ų107154.5 Ų154.575%0.74883%0.83SS**  cis-141178.1-3.955.40000110.5
215Q35.3Very low33.4Very low181 Ų181160.6 Ų160.685%0.84684%0.836SS**  trans-81.8153.9169.1-63.1164.5-24.300110.2
216E32.2Very low33.3Very low200 Ų200157.2 Ų157.294%0.93583%0.832SS**  trans-161.3-176.2131.2-117.7163.5-149.600112.1
217R37.2Very low32.9Very low225 Ų225159.1 Ų159.185%0.84984%0.836SS**  trans-116.5176-162.6-75.4177.2159.9-178.5-3.5113.5
218E31Very low32.9Very low179 Ų179159.4 Ų159.484%0.83684%0.838SS**  trans103.2152.2149.8-48.1-153.5158.200118.3
219L31.8Very low33Very low166 Ų166163.5 Ų163.587%0.86984%0.841SS**  trans-120.4177.6-169.3-71.8161.3000107.9
220P40.9Very low32.8Very low109 Ų109163.7 Ų163.771%0.70884%0.842SS**  cis-129.4155.2-48.435.7-22.4000111
221L30.4Very low32.6Very low184 Ų184162.7 Ų162.796%0.96385%0.846SS**  trans-131.8155.3171.6-75.3176.8000113.5
222R31.3Very low32.2Very low234 Ų234159.2 Ų159.288%0.88385%0.845SS**  trans-80.8157.3-171.4-82.4-175.2173.4-176.5-2113.2
223P32.2Very low32Very low131 Ų131161.3 Ų161.385%0.85185%0.848SS**  trans-71.4152.9-179.930.1-36.9000114
224S26.9Very low31.9Very low116 Ų116157.8 Ų157.881%0.81184%0.838SS**  trans-150.3158.2171.858.10000107.9
225R31.3Very low31.9Very low238 Ų238159.1 Ų159.190%0.89884%0.842SS**  cis-161.3141.2-25.6174177.5-177.8171.10.5105.7
226A29.1Very low31.6Very low96 Ų96158.9 Ų158.979%0.79384%0.841SS**  trans-70.1150.217800000112.4
227Q28Very low32.3Very low187 Ų187153.7 Ų153.787%0.87482%0.824SS**  trans-75.6149.5177.2-70.1175.3-87.100113
228A32.2Very low31.9Very low102 Ų102150.9 Ų150.984%0.84383%0.825SS**  trans-156.4144.4138.200000107.7
229E30.4Very low31.7Very low185 Ų185146.7 Ų146.786%0.86482%0.821SS**  trans-96.6155.3178.7-61.5-170132.300112.2
230A33.8Very low32.5Very low90 Ų90144 Ų14474%0.74481%0.813SS**  trans-173.2133.9130.800000110.6
231D31.9Very low31.9Very low172 Ų172149.4 Ų149.492%0.9282%0.82SS**  trans17.9158.7154-64-59.6000123.8
232G30.8Very low31.9Very low74 Ų74147.4 Ų147.476%0.76381%0.809SS**  trans150.421.615600000121.4
233R31.5Very low31.8Very low237 Ų237144.1 Ų144.189%0.89481%0.808SS**  trans21.7120.8162.2-118.8-174.2-173.2-137.43.3120.1
234S30.8Very low31.8Very low101 Ų101149 Ų14971%0.70681%0.809SS**  108.1143.7124.882.70000122.2
235T30.6Very low32.2Very low135 Ų135149.8 Ų149.883%0.82881%0.811SS**  trans85.4102.5149.2-39.40000119.2
236E29.5Very low32.2Very low175 Ų175147.7 Ų147.782%0.81881%0.809SS**  trans-74.6-179.5159.8-115.7-159.5135.300111.8
237P47Very low32.1Very low91 Ų91149.3 Ų149.359%0.59181%0.808SS**  cis-134.6-158.2-13.526.5-1.5000112.8
238L27.6Very low32Very low167 Ų167147.3 Ų147.387%0.87480%0.804SS**  trans102.9128.5153.9-57.6171.6000119.3
239A27.8Very low31.8Very low91 Ų91145.6 Ų145.675%0.75280%0.796SS**  trans-110.3-169.1158.900000108.1
240P49.2Very low31.8Very low108 Ų108145.2 Ų145.270%0.70179%0.792SS**  cis-128.8179.5-1541.2-27.2000112.9
241R27.3Very low31.5Very low224 Ų224148.1 Ų148.185%0.84580%0.795SS**  trans179.7117.8136-98.3152-161.9-107.53.2115.1
242I30.6Very low31.4Very low142 Ų142145.6 Ų145.673%0.72879%0.789SS**  44.4130.7111.8-61.4176.8000120
243L29.6Very low32.1Very low164 Ų164147.3 Ų147.386%0.85979%0.787SS**  trans79.1141.5158.6-81.6166.9000121.2
244R32.8Very low31.9Very low233 Ų233145.6 Ų145.688%0.87979%0.786SS**  trans-91.7154.2169.2-59173.9177.3169.4-2.3110
245P35.2Very low31.7Very low133 Ų133145.2 Ų145.286%0.86479%0.789SS**  trans-116.5-172.2135.135.6-30.4000112.1
246K30.4Very low31.4Very low195 Ų195149.2 Ų149.285%0.84879%0.789SS**  trans-138.4167.8-172.9-176178.5-179.2-179.90107.7
247V28Very low31.3Very low129 Ų129149.3 Ų149.378%0.78279%0.789SS**  trans112.5114.1158.5-179.80000117.3
248N25.1Very low30.3Very low146 Ų146148.9 Ų148.978%0.78180%0.801SS**  trans73.7163.8146.2-156.617.1000120.4
249G27.5Very low30.6Very low66 Ų66146.2 Ų146.268%0.6880%0.803SS**  trans111.587.4-17100000110.5
250K30.9Very low30.6Very low176 Ų176145.7 Ų145.777%0.76581%0.807SS**  61.2120.564.3-75.1-167175-177.40115.6
251N27.3Very low29.7Very low151 Ų151146.3 Ų146.381%0.80781%0.814SS**  trans77.5132.2148.6-58.72.2000120.4
252C30.9Very low29.9Very low120 Ų120139 Ų13981%0.81181%0.808SS**  trans-69-178.2156.2-44.20000110.1
253P43.9Very low29.9Very low109 Ų109141.8 Ų141.871%0.70882%0.818SS**  cis-151.7-169.319.645.4-23.7000118.3
254K27.5Very low29.9Very low202 Ų202137.9 Ų137.988%0.87881%0.81SS**  trans52.8108.9149.3-76.3175.5176.9179.70120.4
255A26.8Very low29.7Very low93 Ų93133.7 Ų133.777%0.76981%0.81SS**  -158.2149.7108.800000107.2
256R25.7Very low29.5Very low219 Ų219130.5 Ų130.583%0.82680%0.801SS**  cis55.3124.548.2-82-160.2172.3-167.9-1112.3
257Q27.3Very low30.6Very low177 Ų177127.1 Ų127.183%0.82780%0.799SS**  cis-142.41670.9-94152.3-77.400109.6
258G26.3Very low32Very low81 Ų81126.2 Ų126.284%0.83580%0.796SS**  trans16673.1174.300000112.9
259A32.1Very low32.1Very low111 Ų111125.3 Ų125.392%0.91779%0.791SS**  trans-122.9144.8174.300000109.5
260G28.1Very low32.2Very low81 Ų81131.6 Ų131.684%0.83579%0.794SS**  trans-17892.9-178.600000113.1
261S31Very low32Very low120 Ų120129.5 Ų129.584%0.83979%0.787SS**  trans-158.9134.7169.260.50000110.2
262G32Very low31.8Very low71 Ų71130.3 Ų130.373%0.73279%0.786SS**  trans84.774.1161.300000117.3
263E29.4Very low31.5Very low201 Ų201132.9 Ų132.994%0.93979%0.786SS**  trans46.4166.2133.5-97150.2104.700125.2
264A29.9Very low31.8Very low82 Ų82132.1 Ų132.168%0.67878%0.782SS**  trans-86142-163.100000113.2
265T29.6Very low31.8Very low145 Ų145128.6 Ų128.689%0.8977%0.772SS**  70.2130.695.8-52.20000114.3
266G29.1Very low31.9Very low66 Ų66129.8 Ų129.868%0.6876%0.762SS**  cis-162.5-165.617.800000117
267P53.9Low31.8Very low123 Ų123128.5 Ų128.580%0.79976%0.757SS**  trans-119.1-154.6-153.547.2-35.7000112.3
268P58.5Low31.7Very low111 Ų111130.7 Ų130.772%0.72176%0.758SS**  cis-131.2-175.6-3.444.3-25.9000114.7
269N26.6Very low32.5Very low126 Ų126131.8 Ų131.867%0.67475%0.75SS**  cis-143.1-144.215.4-148.1-3.4000110.7
270W30Very low32.1Very low199 Ų199131.8 Ų131.875%0.75474%0.744SS**  cis-159.9-1575.8-148177.5000114.2
271Q25.5Very low32.2Very low132 Ų132132.4 Ų132.462%0.61774%0.741SS**  trans-23153166.5-77.6-178.9-50.700119.8
272E24.5Very low33.3Very low167 Ų167132.5 Ų132.578%0.7874%0.738SS**  cis-165.2178.7-13.6-158.7152-171.300110
273Q24.6Very low34.4Very low174 Ų174134 Ų13481%0.81374%0.735SS**  trans-129.4-165.5-179.4-121.9-163.359.200110.5
274P48.9Very low34.3Very low94 Ų94133.8 Ų133.861%0.6173%0.734SS**  cis-142.3-166.31144.7-24.1000117.4
275N28.7Very low34Very low128 Ų128133.1 Ų133.168%0.68474%0.735SS**  trans69.9145.6153.4-74.5-1.2000120.5
276E29.2Very low35.2Very low118 Ų118132.4 Ų132.455%0.55173%0.733SS**  cis-161.2-163.7-8.9-120.8-179.4119.300108.4
277R22.7Very low36Very low191 Ų191134.2 Ų134.272%0.72173%0.733SS**  cis-157-173.210.4-141.8172.2-158.985.426.5111.8
278W24.8Very low34.9Very low224 Ų224135.4 Ų135.485%0.84874%0.738SS**  trans-145.8-175.8169.1-113.8137.4000108.8
279P42.7Very low33.5Very low104 Ų104137.9 Ų137.968%0.67574%0.74SS**  cis-131.5-150.12641.1-17.9000112.9
280S25.4Very low34.2Very low111 Ų111137.3 Ų137.378%0.77674%0.743SS**  cis-162.6-178.214.237.60000112.3
281A28.7Very low34.1Very low94 Ų94131.6 Ų131.678%0.77773%0.734SS**  trans-142.3-160.6177.700000112.9
282P54Low34.2Very low121 Ų121132.9 Ų132.979%0.78674%0.739SS**  -108.5-149.7-107.344.8-28.9000112.6
283P56Low34.2Very low103 Ų103133.5 Ų133.567%0.66974%0.742SS**  cis-128.9-168.9-19.242.7-25.6000113.8
284H26.8Very low34.4Very low196 Ų196129.4 Ų129.491%0.90774%0.738SS**  trans165175146.4-90.7-64.2000113.8
285G24.5Very low33.7Very low68 Ų68131.5 Ų131.570%0.70175%0.751SS**  trans169-180174.700000112.6
286P53.6Low33.5Very low130 Ų130128.5 Ų128.584%0.84475%0.751SS**  cis-103.8-101-231.2-12000114.2
287P47Very low33.4Very low104 Ų104132.9 Ų132.968%0.67577%0.768SS**  cis-138.5164.8-4.543.5-24000119.9
288T29.5Very low33.5Very low148 Ų148128.4 Ų128.491%0.90877%0.772SS**  trans69165.1145.4-53.70000123.5
289Q30.4Very low33.5Very low164 Ų164124.9 Ų124.977%0.76677%0.769SS**  trans-116.5170-148.4-157.1-165.718.100115
290P40.4Very low32.6Very low114 Ų114127.9 Ų127.974%0.7477%0.774SS**  -144.7-167.5127.736.8-19.9000114.5
291S27.7Very low32.7Very low79 Ų79129.7 Ų129.755%0.55278%0.775SS**  -158.6176.7-89.946.70000112.2
292H27.5Very low33.2Very low158 Ų158130 Ų13073%0.73177%0.769SS**  trans75.1145.7167-53.9-66.2000119.8
293Q25.6Very low31.8Very low181 Ų181131.1 Ų131.185%0.84677%0.767SS**  cis-160.7178.5-24.7-128.5172.520.600111.2
294A28.3Very low30.5Very low88 Ų88137.2 Ų137.273%0.72778%0.777SS**  trans-141.6158.4178.200000112.7
295P33.7Very low31.3Very low137 Ų137133 Ų13389%0.8977%0.767SS**  -139.3176.3126.838-25.2000112.1
296G25.3Very low31.5Very low65 Ų65137.1 Ų137.167%0.6777%0.773SS**  cis146.4140.8-5.600000112.4
297K27.3Very low30.3Very low210 Ų210137.9 Ų137.991%0.91377%0.769SS**  trans72140.1-172.5-47.6176.2-176-179.10113.4
298A24.4Very low30.1Very low97 Ų97138.3 Ų138.380%0.80277%0.772SS**  cis92.5106.716.200000116.6
299L25.3Very low30.1Very low150 Ų150138.1 Ų138.179%0.78576%0.764SS**  trans-169.7142.6141.5-155.661000112.8
300E23.6Very low30.2Very low167 Ų167136.8 Ų136.878%0.7876%0.762SS**  trans40.1166.5150.1-72.3166.3-169.700126.6
301N27.9Very low29.8Very low150 Ų150139.3 Ų139.380%0.80277%0.766SS**  trans-145.3121.7170.9175.715.9000105.9
302P37.5Very low29.9Very low99 Ų99139.1 Ų139.164%0.64378%0.776SS**  -155.4154.1121.538.2-19.8000118.5
303L25.6Very low30.2Very low145 Ų145135.2 Ų135.276%0.75978%0.778SS**  trans38.8116135.4-59.3169.2000123.9
304R27.5Very low30.4Very low232 Ų232135.7 Ų135.788%0.87578%0.781SS**  trans63176.6131.5-70.1-171.2176.7-163.1-0.4118.4
305P45Very low30.6Very low106 Ų106135.6 Ų135.669%0.68878%0.78SS**  cis-109.9-170.1-10.144-31.2000111.9
306N28.2Very low30.5Very low155 Ų155133.3 Ų133.383%0.82977%0.772SS**  cis-154162.136.9-107.5-31.1000114.3
307L29.4Very low30.8Very low147 Ų147138.1 Ų138.177%0.7778%0.782SS**  trans-84.2168.5166-100.1157.2000109.9
308P41.6Very low31.2Very low113 Ų113137 Ų13773%0.73478%0.777SS**  cis-112.8-168.644.744.8-38.1000113.4
309L30.5Very low31.6Very low143 Ų143138 Ų13875%0.74978%0.776SS**  cis-146.4-129.513.2-16594.1000112.2
310L32.5Very low31.9Very low136 Ų136138.5 Ų138.571%0.71277%0.774SS**  trans-140165.1-166.2-94.278.7000108
311M31.7Very low32.8Very low168 Ų168135.7 Ų135.783%0.82877%0.77SS**  cis-172.9147.2-11.6164.7173.868.100109.5
312G29.8Very low32.8Very low74 Ų74131.9 Ų131.976%0.76377%0.766SS**  trans79.7137164.500000116.2
313G32.5Very low32.7Very low76 Ų76139 Ų13978%0.78478%0.78SS**  cis104.699.1-14.200000116
314Q31.6Very low33.5Very low192 Ų192138 Ų13890%0.89778%0.783SS**  trans-171166130.6-99.4-56.50.600110
315A31.9Very low33.8Very low85 Ų85130.7 Ų130.770%0.70278%0.78SS**  trans-117.1163.2171.400000111.1
316A31.8Very low33.2Very low89 Ų89135.3 Ų135.374%0.73679%0.792SS**  trans152.7170.213500000113.9
317L31.8Very low33.3Very low167 Ų167137 Ų13787%0.87480%0.795SS**  trans72.4115.3161.9-50.6-172.7000118.9
318K34.3Very low33.7Very low185 Ų185134.8 Ų134.880%0.80479%0.792SS**  trans-86.1141.2158-177.9-174.6-178.5-173.30108
319P34Very low33.8Very low120 Ų120135.4 Ų135.478%0.77980%0.796SS**  -138.7162.3126.838.4-27.6000114.8
320E30.8Very low34Very low159 Ų159133 Ų13374%0.74380%0.796SS**  trans-101.6-174.2160.7-106.5-161.7156.300108.3
321P43.3Very low34.3Very low109 Ų109132.7 Ų132.771%0.70880%0.802SS**  cis-136.1162.1-29.332.2-14.1000114.8
322G28.1Very low34.4Very low69 Ų69134.3 Ų134.371%0.71181%0.805SS**  89.9125.612500000123.1
323R34.3Very low34.4Very low248 Ų248140.3 Ų140.394%0.93681%0.813SS**  trans68171.2148.7-60-173.8-179-135.53.2118.3
324P43.6Very low34.4Very low125 Ų125144.9 Ų144.981%0.81281%0.814SS**  cis-114.2172.6-41.331-15.2000111.3
325G33.2Very low34.4Very low79 Ų79142 Ų14281%0.81480%0.804SS**  trans-83.8169.9-170.100000116.4
326E33Very low34.4Very low203 Ų203146.2 Ų146.295%0.94981%0.809SS**  trans-145.8-168.6170.1-141.1162.4-162.200110.1
327E30.8Very low34.5Very low189 Ų189150.7 Ų150.788%0.88382%0.815SS**  trans-85.5178.5-149.5-139.2175.2104.700118.1
328S37Very low34.9Very low101 Ų101147.9 Ų147.971%0.70681%0.806SS**  trans-71.6168.5-177.1-51.60000112.6
329P43.4Very low34.9Very low127 Ų127144.4 Ų144.483%0.82581%0.805SS**  -142.7159.188.937.8-23.9000115
330A34.8Very low34.8Very low91 Ų91147.6 Ų147.675%0.75281%0.807SS**  trans-100156.5165.800000110.9
331P39Very low35.2Very low130 Ų130145.8 Ų145.884%0.84481%0.81SS**  trans-112.8155.7144.634.6-28.6000111.7
332K33Very low34.7Very low202 Ų202144.8 Ų144.888%0.87881%0.811SS**  trans-94.5150.4-177.8-54.6172.1-176.2175.20111
333Q30.7Very low35.2Very low200 Ų200147.6 Ų147.694%0.93582%0.816SS**  trans-151.5137.7146.7-136.6170.912.500110.9
334E31.6Very low35.1Very low172 Ų172144.8 Ų144.880%0.80481%0.813SS**  trans-106.5144.6176.3-58.5172.591.900109.4
335L32.7Very low34.5Very low133 Ų133147 Ų14770%0.69682%0.818SS**  -176.5150.7109-124.359.5000113.6
336H31.3Very low34.4Very low172 Ų172148.9 Ų148.980%0.79682%0.818SS**  trans61.2132157.8-61.6-33.2000121.9
337Q34.3Very low34.7Very low183 Ų183145.3 Ų145.386%0.85581%0.812SS**PPolyproline II helixtrans-97.2151.9166-58175.82.200110.8
338P39.7Very low34.9Very low108 Ų108143.9 Ų143.970%0.70181%0.81SS**PPolyproline II helixtrans-96.8133.8150.934.1-27.1000110.9F340P338-F340 HydrophobicContact CB-CE2 4.5Å
339S34.5Very low35Very low112 Ų112144.7 Ų144.778%0.78381%0.813SS**PPolyproline II helixtrans-92.7149.8175.150.50000112.1
340F32Very low34.6Very low187 Ų187146.9 Ų146.982%0.8281%0.814SS**  trans-135.3150.4173-80.5-78.7000111P338P338-F340 HydrophobicContact CB-CE2 4.5Å
341P38.7Very low34.8Very low122 Ų122148.2 Ų148.279%0.79282%0.815SS**PPolyproline II helixtrans-88.8154.4-158.634.3-37.1000115
342A33.4Very low34.5Very low88 Ų88145.7 Ų145.773%0.72781%0.813SS**PPolyproline II helixtrans-89146.4167.900000111.6
343P38.6Very low34.5Very low127 Ų127144 Ų14483%0.82581%0.813SS**PPolyproline II helixtrans-75.6137.8174.831.3-34000111.5
344Q32.4Very low35.4Very low189 Ų189140.1 Ų140.188%0.88381%0.805SS**PPolyproline II helixtrans-85.7152.5173.5-66.2-171.9-3.100111.9
345L29.7Very low35.3Very low173 Ų173135.9 Ų135.991%0.90680%0.8SS**  trans-115.9140.2168.4-70.4173.1000109.6
346S32.6Very low35.3Very low117 Ų117136.3 Ų136.382%0.81880%0.803SS**PPolyproline II helixtrans-75.7147.1179.9-51.30000112.1
347P39.4Very low35.3Very low128 Ų128138.3 Ų138.383%0.83181%0.805SS**PPolyproline II helixtrans-76.2150.2-177.431.1-35.7000113.3
348L34.6Very low35Very low159 Ų159134.6 Ų134.683%0.83280%0.799SS**PPolyproline II helixtrans-103.7150.2164.6-72.1172.6000109.9
349P38.3Very low34.5Very low118 Ų118132.9 Ų132.977%0.76680%0.801SS**PPolyproline II helixtrans-77.8150.9-177.832.3-35.6000112.7
350M34.7Very low35.3Very low174 Ų174133.3 Ų133.386%0.85780%0.801SS**  trans-117.7148.3170.3-76.8-66.5-72.400110.6
351P39.7Very low35.1Very low119 Ų119130.6 Ų130.677%0.77381%0.805SS**PPolyproline II helixtrans-78.7145.2-176.931.9-35.4000113
352G32.4Very low34.7Very low77 Ų77128.5 Ų128.579%0.79481%0.805SS**PPolyproline II helixtrans-94.6155.3169.300000112.6
353N33Very low34.4Very low166 Ų166128 Ų12889%0.88881%0.809SS**PPolyproline II helixtrans-93.2161.3179.4-127.711.2000111.5
354P49.6Very low34.8Very low118 Ų118127.1 Ų127.177%0.76680%0.803SS**PPolyproline II helixtrans-94.3153.9-170.936.7-35000114.8
355A30.8Very low34.8Very low84 Ų84125.9 Ų125.969%0.69480%0.797SS**  trans-157.1147.9157.800000110.8
356D32.6Very low35Very low142 Ų142124.8 Ų124.876%0.75979%0.791SS**  trans46.3115.9157.7-44.4-29.7000119.3
357Y29.7Very low34.8Very low213 Ų213124.8 Ų124.884%0.83579%0.787SS**  -166.3152.671.3-118.5-93.6000115
358S29.3Very low34.5Very low105 Ų105122.8 Ų122.873%0.73478%0.781SS**  trans52.3125.7156.154.90000122.5
359G29.6Very low34.3Very low72 Ų72123.9 Ų123.974%0.74279%0.787SS**  trans-90-146.9158.500000112.7
360P49.6Very low33.8Very low121 Ų121120.9 Ų120.979%0.78678%0.777SS**  cis-139.3-162.721.242.2-21.8000115.8
361C29.5Very low33.6Very low131 Ų131118 Ų11889%0.88577%0.774SS**  trans73.4128.1169.9-59.70000117.2
362G29Very low33.2Very low78 Ų78121.3 Ų121.380%0.80478%0.776SS**  cis-165.7169.2-3.500000112.4
363G28.1Very low33Very low78 Ų78127.7 Ų127.780%0.80478%0.778SS**  trans-85.5-158.2178.100000113.9
364P46.6Very low33Very low108 Ų108127 Ų12770%0.70177%0.773SS**  cis-133.4163.117.143.9-28.1000117.3
365E31.8Very low31.9Very low163 Ų163132.6 Ų132.676%0.76278%0.781SS**  trans69.1121.5131.4-72.9-178.5134.400122
366L33.9Very low32.2Very low149 Ų149134.2 Ų134.278%0.7879%0.786SS**  81.4146.285.9-74.3-176.6000113.9
367T28.8Very low31.9Very low118 Ų118131.1 Ų131.172%0.72479%0.788SS**  cis-143.1164.15-85.90000110
368A33.3Very low32.1Very low86 Ų86129.5 Ų129.571%0.71179%0.788SS**  trans-83.8150177.700000115.3
369L30.2Very low32.2Very low182 Ų182132.1 Ų132.195%0.95379%0.793SS**  trans-179.8156.5157.7-96.8153.9000106.6
370G28.5Very low32.2Very low55 Ų55132.5 Ų132.557%0.56780%0.798SS**  cis-179.4174-3.500000110.5
371S29.3Very low31.3Very low112 Ų112134.2 Ų134.278%0.78380%0.799SS**  trans38.6105.316259.50000121.5
372F31.3Very low31.3Very low190 Ų190135.8 Ų135.883%0.83379%0.794SS**  38.9147.9114.7-78.1-77.5000124.5
373Y28Very low31.2Very low211 Ų211138.3 Ų138.383%0.82780%0.797SS**  trans85124.5153.9-88-69.7000120.9
374L34.5Very low31.1Very low151 Ų151137.9 Ų137.979%0.79179%0.793SS**  trans-72.3151.7158.9-6876.1000109.6
375Y26.1Very low30.1Very low235 Ų235137 Ų13792%0.92280%0.795SS**  trans-132.5146.4145.8-135.4-94.4000109.4
376C36.4Very low30Very low119 Ų119140.3 Ų140.380%0.80480%0.803SS**  trans-81.2141.5178.1-650000110.8
377G27.2Very low29.8Very low77 Ų77138.1 Ų138.179%0.79480%0.799SS**  trans-119.8133.116100000109.3
378Q33.2Very low30Very low178 Ų178138.1 Ų138.183%0.83280%0.802SS**  trans-97.8174.6169-88.2-178.1-88.600110.6
379D31.2Very low29.8Very low160 Ų160139.5 Ų139.586%0.85681%0.805SS**  trans74138.4169.3-50.3-34.1000117
380G30.4Very low30.5Very low81 Ų81137.2 Ų137.284%0.83580%0.801SS**  trans154.888.6-175.400000113.1
381L31Very low30.5Very low156 Ų156142.8 Ų142.882%0.81781%0.814SS**  trans-68.6153.1-175.6-86.8157.8000115.7
382Q27.9Very low30.7Very low164 Ų164145 Ų14577%0.76682%0.816SS**  trans78.4154.1148-75.9176.162.900121.5
383C27.2Very low31.5Very low131 Ų131141.7 Ų141.789%0.88581%0.814SS**  trans62.2146.1175.7-62.50000116.5
384G26.1Very low31.7Very low69 Ų69141 Ų14171%0.71182%0.818SS**  cis141146.1-2.300000111.4
385A25.4Very low31.5Very low91 Ų91137.3 Ų137.375%0.75282%0.817SS**  trans64.7110.8169.100000119.5
386Y29.8Very low31.8Very low232 Ų232135.3 Ų135.391%0.9181%0.813SS**  trans57.4125.9136.8-67.6-79.2000123.5
387S31Very low31.6Very low102 Ų102137.7 Ų137.771%0.71382%0.817SS**PPolyproline II helixtrans-79.4138.9160.1173.10000111.9
388P32.5Very low31.7Very low119 Ų119139.1 Ų139.177%0.77381%0.814SS**PPolyproline II helixtrans-99.9119.1166.834.4-27.3000112.4
389C28.8Very low32.7Very low115 Ų115135.7 Ų135.778%0.77781%0.808SS**PPolyproline II helixtrans-82145.1163.4-700000110.6
390P45.8Very low32.5Very low133 Ų133134.6 Ų134.686%0.86481%0.807SS**PPolyproline II helixtrans-75151.5-179.430.3-35.1000113.6
391M27.8Very low32.5Very low172 Ų172135.3 Ų135.385%0.84781%0.805SS**PPolyproline II helixtrans-80.5159.2-174.9-76.9-76.9-71.400114.8
392L32.7Very low32.7Very low159 Ų159132.4 Ų132.483%0.83280%0.803SS**  trans-125.7156.9154.5-92159.6000108.6
393P48.4Very low34Very low120 Ų120129.8 Ų129.878%0.77980%0.8SS**  trans-87.9176.6-153.234.5-39000117.1
394E33.1Very low34.2Very low196 Ų196129.4 Ų129.492%0.91679%0.79SS**  trans-70161.8-165.8-55.5172.396.200117
395G30.2Very low34.5Very low75 Ų75134.4 Ų134.477%0.77379%0.794SS**  trans-147.918.8-17300000118.8
396K32.3Very low34.9Very low193 Ų193133.2 Ų133.284%0.83979%0.791SS**  trans59.5124.1163.5-71.2-172.9177.1-176.80121.5
397L32.4Very low35Very low169 Ų169130.1 Ų130.189%0.88579%0.789SS**  trans81154.6143.4-61167.6000120.7
398S27.9Very low34.9Very low106 Ų106132 Ų13274%0.74179%0.79SS**  trans-143.1-164-168.962.60000108.8
399P54.4Low34.7Very low107 Ų107134.2 Ų134.270%0.69579%0.793SS**  cis-137.5-148.1-135.9-11000114
400V27.9Very low34.9Very low137 Ų137132.7 Ų132.783%0.8379%0.788SS**  trans82.6128.6168.5-174.60000115.6
401A30.1Very low35Very low96 Ų96131.5 Ų131.579%0.79378%0.781SS**  cis-156.5176.5-11.900000112.1
402A35.1Very low35Very low95 Ų95128.3 Ų128.379%0.78578%0.775SS**  trans-103.1-155.3-17600000111.4
403P54.8Low34.8Very low109 Ų109125.4 Ų125.471%0.70877%0.768SS**  cis-129.2-159.85.847.2-27.9000113
404N31.6Very low34.3Very low123 Ų123126.2 Ų126.266%0.65877%0.771SS**  cis-159.5163.529.2-124.54.6000113.7
405E33.4Very low35.2Very low174 Ų174122.4 Ų122.481%0.81376%0.763SS**  trans56.3147.7151.2-64161.3-121.200121.4
406G32.5Very low35.1Very low66 Ų66124.9 Ų124.968%0.6877%0.768SS**  cis157.5126.4-13.800000115.4
407L31.6Very low35Very low166 Ų166119 Ų11987%0.86976%0.762SS**  trans66.2164.6157.6-57.9170.4000118.5
408L30.4Very low35.1Very low141 Ų141117.8 Ų117.874%0.73876%0.761SS**  -162.8172.2-51.2-127.8-170.9000110.7
409M28.3Very low36.1Very low167 Ų167117.7 Ų117.782%0.82376%0.758SS**  trans79.9155.1157.1-62.9-95.973.200121.9
410A32Very low34.9Very low83 Ų83120.2 Ų120.269%0.68676%0.759SS**  trans-116.3-146.3170.300000107.4
411P47.8Very low35Very low108 Ų108120.1 Ų120.170%0.70175%0.749SS**  cis-138.3-171.8-6.440.9-20.4000115.7
412S27.3Very low34.9Very low105 Ų105123.5 Ų123.573%0.73475%0.748SS**  trans64.1158.1149.862.60000121.1
413S29.8Very low35.1Very low98 Ų98123.4 Ų123.469%0.68574%0.74SS**  cis-173.3125.6-3154.90000112.7
414V36.9Very low34Very low137 Ų137124.3 Ų124.383%0.8375%0.745SS**  trans66.4155.5145.1-176.80000118
415P51.9Low33.9Very low115 Ų115129.2 Ų129.275%0.74776%0.755SS**  cis-121.9173.5-33.936.6-21.4000114.3
416S29.6Very low33.5Very low128 Ų128126.4 Ų126.490%0.89576%0.755SS**  trans151.1148.2132.8-170.40000112.5
417G29.7Very low33.3Very low69 Ų69127.6 Ų127.671%0.71176%0.758SS**  trans109.9120161.900000118.2
418V34.2Very low33.8Very low143 Ų143125.5 Ų125.587%0.86776%0.755SS**  trans-151.4165.3160.5-99.20000106.2
419P48.5Very low33.7Very low104 Ų104130.3 Ų130.368%0.67576%0.763SS**  cis-121.3-168.214.415.313.6000111.8
420F29.3Very low33.7Very low161 Ų161132.8 Ų132.871%0.70676%0.764SS**  cis-152.6140.535.1-109.1-97.6000113.1
421Q29.9Very low33.5Very low135 Ų135134.3 Ų134.363%0.63177%0.769SS**  trans30.6147.1132-49.2-178.73.300120.7
422H27.3Very low32.6Very low166 Ų166134.4 Ų134.477%0.76977%0.772SS**  cis-142.3173.935.9-95.9-67.3000114.2
423P41.1Very low32.8Very low94 Ų94133.9 Ų133.961%0.6177%0.768SS**  trans-115.4171.6-148.243.4-38.1000117.2
424P31.7Very low32.9Very low127 Ų127137.3 Ų137.383%0.82577%0.774SS**  trans-76.6155.8154.835.1-34.7000111.5
425W28.1Very low32.8Very low226 Ų226137.2 Ų137.286%0.85677%0.769SS**  trans-127.8135.7-179.7-149.8-42.5000112.1
426S26.3Very low31.9Very low116 Ų116137.6 Ų137.681%0.81177%0.769SS**  trans-155.7141.8159.5-79.10000111.9
427A28.2Very low31.9Very low91 Ų91134.9 Ų134.975%0.75276%0.761SS**  trans65139.5173.800000118.8
428P42Very low32Very low122 Ų122136 Ų13679%0.79276%0.764SS**  trans-120.7143.917438.7-28.3000115.1
429R28.6Very low31.7Very low242 Ų242137.3 Ų137.391%0.91377%0.766SS**  trans-156.6113.5153.1-74.8-158-176.2-176.93113.8
430Y28.2Very low31Very low218 Ų218135.2 Ų135.286%0.85576%0.763SS**  trans53.5146137.2-92.7-89.6000125.6
431C27.3Very low31.3Very low115 Ų115138.7 Ų138.778%0.77777%0.773SS**  trans74.2146.1160.9-66.70000118.4
432S29.3Very low31.3Very low110 Ų110136.6 Ų136.677%0.76977%0.773SS**  cis-168-178.9-18.5-160.90000110.1
433S30Very low31.5Very low94 Ų94135.9 Ų135.966%0.65777%0.773SS**  trans80.5109.6171-140.50000114.2
434E33.8Very low31.1Very low171 Ų171137.3 Ų137.380%0.79978%0.784SS**  9514265.8-82.1160.4114.200111.9
435D32.8Very low31Very low135 Ų135134.4 Ų134.472%0.72278%0.777SS**  cis-151.3-167.6-11.7-164.537.8000106.6
436T33.8Very low31.1Very low123 Ų123130.7 Ų130.776%0.75578%0.779SS**  cis-151.215513.5-59.30000109.6
437G29.1Very low31.4Very low71 Ų71133.1 Ų133.173%0.73278%0.782SS**  trans-153.3-13.5-174.400000121.7
438A31.9Very low32.6Very low92 Ų92134 Ų13476%0.7678%0.781SS**  trans65150.7175.700000120
439N29.7Very low31.8Very low171 Ų171136 Ų13691%0.91478%0.784SS**  trans60129.2175.5-79-19.3000119.2
440G32.6Very low31.9Very low60 Ų60129.5 Ų129.562%0.61978%0.775SS**  cis163.2133.5-10.800000114.4
441Y36.2Very low32.1Very low234 Ų234126.3 Ų126.392%0.91877%0.772SS**  trans68.1145.3174.6-61.3-85.1000117
442S30.2Very low32.3Very low91 Ų91125.8 Ų125.864%0.63677%0.766SS**  cis-154.9144.62.8-148.80000114.1
443I31.4Very low32.3Very low150 Ų150128 Ų12877%0.76976%0.764SS**  trans31.4128.1135.3-58.5172000118
444C31.6Very low32.3Very low124 Ų124130.9 Ų130.984%0.83877%0.77SS**  -163.6174.953-1510000114.1
445G29.4Very low32.1Very low66 Ų66125.3 Ų125.368%0.6876%0.758SS**  trans-163.2156170.700000114.8
446V30.6Very low32.1Very low148 Ų148125.9 Ų125.990%0.89777%0.767SS**  trans-144.9158.1-179.4-176.20000111.1
447L32.4Very low32Very low167 Ų167126.3 Ų126.387%0.87477%0.77SS**  trans-98.5173.2-167.9-79.4166.4000115.7
448P54.3Low32Very low111 Ų111129.3 Ų129.372%0.72178%0.778SS**  trans-110.1175.5-166.942.2-36.5000117.2
449L25.1Very low31.9Very low162 Ų162128.9 Ų128.985%0.84878%0.783SS**  trans-140.8147.7166.7-71.9166.3000107.9
450S29.4Very low31.7Very low106 Ų106124.6 Ų124.674%0.74178%0.779SS**  cis82.6133.835.5-58.40000113.1
451L33.5Very low31.6Very low151 Ų151127.8 Ų127.879%0.79179%0.79SS**  cis-166.4-176.90.7-167.261000111.2
452T31.5Very low31.9Very low105 Ų105122.1 Ų122.164%0.64478%0.782SS**  trans76.6153.6160.765.50000118.6
453H29.4Very low31.8Very low156 Ų156127.8 Ų127.872%0.72279%0.791SS**  cis-132.7140.420.3-87.4-100.6000113.8
454I30.2Very low31.6Very low155 Ų155128.7 Ų128.780%0.79579%0.789SS**  70.8144.3100.7-54.2-172.4000117
455G29.5Very low31.8Very low53 Ų53129.6 Ų129.655%0.54678%0.783SS.*  trans-154.1-163.9175.800000114.7
456T32.6Very low32.2Very low148 Ų148131.6 Ų131.691%0.90878%0.784SS**  trans69.4150-169.97.60000114
457T30.6Very low32.2Very low132 Ų132132.7 Ų132.781%0.8178%0.777SS**  cis-135.2-171.713.755.10000113.7
458C30.6Very low32.2Very low134 Ų134130.7 Ų130.791%0.90577%0.772SS**  trans-96.4164.9-175.5-48.60000115.4
459G28.2Very low31Very low83 Ų83129.4 Ų129.486%0.85677%0.771SS**  trans139.113414600000118
460G25.5Very low31.1Very low81 Ų81131.1 Ų131.184%0.83577%0.774SS**  trans116.396.1153.100000119.4
461C31Very low31.1Very low127 Ų127129.6 Ų129.686%0.85878%0.775SS**  trans-101174.3146.3-63.60000108.1
462P43.4Very low30.8Very low115 Ų115127.7 Ų127.775%0.74777%0.773SS**  cis-140.217810.643.8-27.1000116.4
463Y27.3Very low30.6Very low210 Ų210134.1 Ų134.182%0.82479%0.785SS**  trans-154176.4131.4-138.7-113.7000113.9
464K27.9Very low30.7Very low169 Ų169131.8 Ų131.874%0.73579%0.787SS**  trans-85.6142.8-154.5-64.9-179.8177.2178.70116.9
465M35.1Very low30.5Very low142 Ų142132.7 Ų132.770%0.779%0.792SS**  trans-88.5156.9147.7-95.1-72-69.100111
466P38.2Very low30.3Very low108 Ų108133.5 Ų133.570%0.70180%0.801SS**  trans-114135.5147.134.3-25000112.1
467F30.7Very low30.1Very low172 Ų172135 Ų13575%0.75480%0.798SS**  trans-83.9-173.3159.5-70.5-101.6000108.7
468T31.2Very low29.9Very low125 Ų125135.7 Ų135.777%0.76780%0.795SS**  cis-163.6136.520.1-90000107.4
469A29.8Very low29.7Very low84 Ų84137 Ų13769%0.69479%0.788SS**  95.8175.199.600000115.1
470E27.6Very low29.7Very low198 Ų198143.1 Ų143.193%0.92579%0.792SS**  trans68.4136.4178.8-54.9180-177.500116.5
471G29.4Very low30Very low73 Ų73145 Ų14575%0.75379%0.789SS**  cis123.878.6-25.700000117.3
472C27Very low29.9Very low112 Ų112146.8 Ų146.876%0.75779%0.789SS**  trans-161.3130.9161.9-1150000116.9
473R27.7Very low29.7Very low239 Ų239146 Ų14690%0.90278%0.784SS**  trans57.2174.1134.4-64.9179.5-165.2-96.20.3122
474S30.8Very low29.6Very low108 Ų108144.5 Ų144.576%0.75579%0.785SS**  trans-131.7166.2-177.2-179.50000109.5
475L26.5Very low29.6Very low173 Ų173141.3 Ų141.391%0.90679%0.79SS**  trans65.5141.5-162.5-7673000113.7
476G25.6Very low29.1Very low70 Ų70138.2 Ų138.272%0.72279%0.794SS**  cis162.5-167.7-6.300000113.2
477Q27.4Very low29Very low181 Ų181142.1 Ų142.185%0.84680%0.803SS**  trans81.9161.7163.4-156.4165.1-2.800118.9
478L26.8Very low29.5Very low146 Ų146139.8 Ų139.876%0.76481%0.805SS**  trans76.289.8-175.2-53.8173.7000114.1
479E25.7Very low29.3Very low161 Ų161138.3 Ų138.375%0.75281%0.805SS**  65.911571.6-67-164.6123.400115.4
480F28.1Very low29.3Very low211 Ų211139.9 Ų139.993%0.92581%0.811SS**  trans-150.2149.8139.7-89.3-70.3000110
481P33.3Very low29.9Very low121 Ų121136.1 Ų136.179%0.78680%0.804SS**  trans-99.6-177.2-170.70.722.4000115.2
482L27.6Very low29.9Very low164 Ų164136.6 Ų136.686%0.85980%0.801SS**  trans-69.4-178.7162.6-50.9165.5000110.6
483P38.8Very low30.1Very low98 Ų98139.7 Ų139.764%0.63680%0.804SS**  cis-139.3-173.7-0.341-20.6000116
484E25.3Very low31Very low179 Ų179132.7 Ų132.784%0.83679%0.789SS**  trans58.6147.4137.9-82.2171.8109.600126.8
485A28.4Very low31.1Very low103 Ų103134.5 Ų134.585%0.85179%0.789SS**  trans74.4140.7142.700000122.7
486G26.1Very low31.4Very low76 Ų76134 Ų13478%0.78479%0.787SS**  trans106.8113.3143.800000117.7
487H35.9Very low31.4Very low190 Ų190133.8 Ų133.888%0.8879%0.785SS**  trans-78.2161.3157.1-49.2-69.6000109.8
488P40.3Very low31.5Very low123 Ų123131 Ų13180%0.79978%0.784SS**  -147.3154.293.937.8-21.9000117.5
489A26.5Very low32.3Very low94 Ų94130 Ų13078%0.77779%0.787SS**  trans26129.5146.300000122.8
490S30.3Very low32.6Very low118 Ų118128.9 Ų128.983%0.82579%0.79SS**  trans-89.4135.1147.6-56.50000110.9
491P40.3Very low33.3Very low119 Ų119124.2 Ų124.277%0.77378%0.781SS**  trans-70139.6163.2-13.730000110.6
492A30.2Very low33Very low82 Ų82123.5 Ų123.568%0.67878%0.779SS**  84.8139.664.600000112.4
493H31.4Very low33.1Very low178 Ų178122.7 Ų122.782%0.82478%0.781SS**  cis-160.1-149.1-5.5-119.1-28.9000111.5
494P46.9Very low33.5Very low91 Ų91123.6 Ų123.659%0.59179%0.786SS**  -140-155.9-108.436.3-9000117
495L32.6Very low34.5Very low146 Ų146121 Ų12176%0.76479%0.785SS**  trans86.3143.6159.9-45.9-174.8000117.6
496L31.2Very low34.6Very low162 Ų162121 Ų12185%0.84878%0.784SS**  cis-160149.8-9.8-119.9168.6000111.4
497G25.9Very low34.8Very low66 Ų66122.3 Ų122.368%0.6879%0.788SS**  trans143.2121.5162.900000116.4
498C31Very low34.7Very low122 Ų122122.1 Ų122.182%0.82479%0.788SS**  trans-141.1161.1174.4-53.10000109.8
499P43.3Very low34.7Very low127 Ų127121.8 Ų121.883%0.82579%0.786SS**  -144.5169.381.432.1-11.3000115.7
500V31.9Very low35Very low136 Ų136124.7 Ų124.782%0.82479%0.786SS**  trans-149.7128.6-171-178.40000115.8
501P42.6Very low35.4Very low114 Ų114124.8 Ų124.874%0.7479%0.785SS**  trans-127.8-167.3151.645.1-32.9000110.5
502S26.6Very low34.9Very low106 Ų106127.6 Ų127.674%0.74179%0.787SS**  cis-153.5155.54.2-68.80000109.3
503V30.6Very low34.9Very low147 Ų147130.8 Ų130.889%0.89179%0.792SS**  trans-149.6117.5174.6179.80000114.5
504P47.2Very low34.8Very low116 Ų116130.3 Ų130.375%0.75379%0.79SS**  -145.9-160.6127.542.4-27000110.9
505P45.8Very low34Very low126 Ų126132.1 Ų132.182%0.81880%0.8SS**  cis-128.5-154.4-12.443-24.4000113.3
506A30.3Very low34Very low101 Ų101131 Ų13184%0.83580%0.801SS**  trans-163.5156.5167.900000112.8
507A31Very low34Very low105 Ų105131 Ų13187%0.86880%0.8SS**  trans-163.4168.2169.800000115.3
508E32.3Very low34.1Very low186 Ų186133.4 Ų133.487%0.86981%0.806SS**  trans-105.1-175.5173.5-76.9-170.6172.100110.5
509P41.7Very low34Very low116 Ų116136.2 Ų136.275%0.75381%0.808SS**  cis-142-170.313.345-24.7000117.6
510I32.5Very low33.6Very low154 Ų154135.6 Ų135.679%0.7980%0.804SS**  trans-135.2137.6168.4-62-179.7000109.8
511P39Very low33.5Very low121 Ų121137.7 Ų137.779%0.78680%0.804SS**  trans-85179.6-175.134.4-37.2000116
512H28.7Very low32.8Very low177 Ų177138.5 Ų138.582%0.81981%0.807SS**  trans-104.7-173.5-165.2-59.1-76000115.8
513L30.6Very low33.1Very low149 Ų149139.6 Ų139.678%0.7881%0.809SS**  trans85.8139.4171.2-46.8179.9000114.5
514Q28.6Very low33Very low169 Ų169136.9 Ų136.979%0.7980%0.802SS**  cis-155.2158.5-3.7-127.6165.29.400110.8
515T30.3Very low32.4Very low129 Ų129143.1 Ų143.179%0.79181%0.81SS**  trans-102153.6175.151.50000112.5
516P34.3Very low31.7Very low123 Ų123141.6 Ų141.680%0.79981%0.809SS**  trans-125.2125.3138.134.8-25.9000114
517I29.2Very low31.8Very low162 Ų162141.9 Ų141.983%0.83180%0.803SS**  trans-26.4130.5166.6-48.3169000115.9
518S29.5Very low32.3Very low115 Ų115142.3 Ų142.380%0.80480%0.797SS**  trans-158151.3145-15.60000110.8
519E29Very low32.3Very low182 Ų182142.3 Ų142.385%0.8580%0.797SS**  trans-86.1141.5-170.7-57.5176121.700114.1
520P34.1Very low32Very low114 Ų114141.8 Ų141.874%0.7480%0.796SS**  trans-83.5117.9170.132.1-31.8000112T522P520-T522 PolarHBondContact O-N 3.14Å
521Q30.1Very low31.9Very low179 Ų179139.5 Ų139.584%0.83680%0.8SS**  trans-76.1105.8174.2-68.3-174.8-6.400111.9V523Q521-V523 PolarHBondContact O-N 3.34Å
522T27.8Very low31.7Very low132 Ų132142.8 Ų142.881%0.8180%0.802SS**  trans-73.683.3-177.4-510000113.3P520 A524P520-T522 PolarHBondContact O-N 3.14Å; T522-A524 VanDerWaalsContact C-N 3.33Å; T522-A524 PolarHBondContact O-N 2.8Å
523V31.9Very low32Very low129 Ų129139.8 Ų139.878%0.78280%0.798SS**  trans-8071.3174.1-740000113Q521 R525Q521-V523 PolarHBondContact O-N 3.34Å; V523-R525 PolarHBondContact O-N 2.63Å; V523-R525 VanDerWaalsContact O-N 3.12Å
524A28.4Very low32.3Very low89 Ų89139.1 Ų139.174%0.73680%0.803SS**  trans-66.4106.7173.600000111.9T522T522-A524 VanDerWaalsContact C-N 3.33Å; T522-A524 PolarHBondContact O-N 2.8Å
525R36.2Very low32.3Very low247 Ų247136.8 Ų136.893%0.93281%0.805SS**  trans-82.9112.6168.3-79.5-76.7-179128.9-1.2109.6V523V523-R525 PolarHBondContact O-N 2.63Å; V523-R525 VanDerWaalsContact O-N 3.12Å
526A31Very low32.2Very low95 Ų95134 Ų13479%0.78580%0.802SS**  trans-70.5147.2-17300000114.1
527C32.4Very low32.2Very low106 Ų106134 Ų13472%0.71681%0.805SS**  trans-68.3155.1159.2-71.80000110.6Q529C527-Q529 PolarHBondContact O-N 2.82Å; C527-Q529 VanDerWaalsContact O-N 3.09Å
528P39.9Very low32.4Very low114 Ų114136.3 Ų136.374%0.7481%0.809SS**  trans-66110.917727.7-33.9000110.4
529Q33.9Very low32.5Very low187 Ų187136.5 Ų136.587%0.87481%0.811SS**  trans-81.2142.4173.4-71.7-175.3-28.800110.9C527C527-Q529 PolarHBondContact O-N 2.82Å; C527-Q529 VanDerWaalsContact O-N 3.09Å
530S33.8Very low32.6Very low104 Ų104131.3 Ų131.373%0.72781%0.806SS**  trans-62.1136.1178.649.30000112.2K532S530-K532 PolarHBondContact O-N 2.87Å; S530-K532 VanDerWaalsContact O-N 3.09Å
531A31.5Very low32.5Very low106 Ų106133.1 Ų133.188%0.87681%0.808SS**  trans-76.897.4-176.600000111.6
532K34.6Very low32.6Very low190 Ų190136.4 Ų136.483%0.82681%0.813SS**  trans-70.7140.2169.6-78.5-177.7175.4176.10111.5S530S530-K532 PolarHBondContact O-N 2.87Å; S530-K532 VanDerWaalsContact O-N 3.09Å
533P35.9Very low32.8Very low114 Ų114136.5 Ų136.574%0.7481%0.814SS**  trans-74.8154.1177.431.7-35.7000112S535P533-S535 PolarHBondContact O-N 3.31Å
534P35.9Very low32.8Very low136 Ų136134.2 Ų134.288%0.88382%0.816SS**  trans-72.4113.5178.128.9-33.8000111.5
535S28.4Very low33.1Very low119 Ų119135.7 Ų135.783%0.83282%0.821SS**PPolyproline II helixtrans-78.1122.4168.3-171.60000110P533P533-S535 PolarHBondContact O-N 3.31Å
536G28.3Very low32.8Very low70 Ų70129.2 Ų129.272%0.72281%0.814SS**PPolyproline II helixtrans-76131.5177.700000112.1
537S33.3Very low32.7Very low124 Ų124130.6 Ų130.687%0.86782%0.816SS**PPolyproline II helixtrans-61.5139.6-174.9-53.20000113.9
538K34.4Very low32.6Very low210 Ų210135.7 Ų135.791%0.91382%0.82SS**PPolyproline II helixtrans-75.9137.5160.7-62.6176.8-178.7176.40109.2
539S31.5Very low32.1Very low120 Ų120138.3 Ų138.384%0.83982%0.823SS**  trans-108.9117.7164.5470000110.6
540G30.4Very low32Very low72 Ų72134 Ų13474%0.74282%0.818SS**  trans-86.4-176.4145.700000109.2
541L32.8Very low32.2Very low152 Ų152135.7 Ų135.780%0.79682%0.824SS**  cis-165134.8-10.4174.673.6000105.4
542R32.7Very low32.3Very low248 Ų248142.1 Ų142.194%0.93683%0.826SS**  trans-143.6123.9157.3-71.2-163.7-174.3-124.1-1.7110.5
543T32.2Very low32.5Very low135 Ų135138.2 Ų138.283%0.82882%0.822SS**  trans-90.1154.4168.136.40000110.4
544G30.2Very low32.7Very low80 Ų80142.6 Ų142.683%0.82583%0.83SS**  trans-165.7138.9171.800000107.6
545S35.5Very low32.8Very low121 Ų121141 Ų14185%0.84683%0.828SS**  trans-128169.6-162.364.40000114.2
546S29.3Very low33.3Very low111 Ų111140.2 Ų140.278%0.77683%0.828SS**  trans101.2158.3148.9-150.40000119.7
547C28.7Very low33.6Very low124 Ų124148.6 Ų148.684%0.83884%0.838SS**  trans77.4157.2173.3-68.60000119.1
548R31.4Very low33.8Very low212 Ų212154.2 Ų154.280%0.884%0.841SS**  trans-137.7169.9-148-63.2176.5174.8-175.1-1.7112.6
549H30.1Very low34.2Very low170 Ų170150.3 Ų150.379%0.78784%0.837SS**  trans72.4149.6167.5-45.6-72.7000114.4
550A31.1Very low34.3Very low95 Ų95150.1 Ų150.179%0.78584%0.835SS**  cis-142.5167.114.700000113.5
551V37.8Very low35Very low141 Ų141154.8 Ų154.886%0.85584%0.837SS**  trans-86.2129.7171.3174.40000110.1
552R33.6Very low35.5Very low241 Ų241153.8 Ų153.891%0.90984%0.84SS**  trans-152.4113.9148-153175.1-169.8-171.85.3112.7
553S38.8Very low35.9Very low107 Ų107151.2 Ų151.275%0.74884%0.836SS**  trans-82.6138.1168.6440000110.8
554K41.2Very low36.5Very low207 Ų207153.3 Ų153.390%0.984%0.836SS**  trans-153.8114.7153.5-152.7172.1-172.9-179.40110.2
555A37.2Very low37Very low101 Ų101155.5 Ų155.584%0.83584%0.836SS**  trans-89140.5174.900000110.6
556A38.5Very low37.4Very low103 Ų103160.5 Ų160.585%0.85184%0.836SS**  trans-137.6131.9164.200000108.2
557R35.7Very low38.2Very low246 Ų246159.8 Ų159.893%0.92884%0.837SS**  trans-83.7149.8-166.7-58.7173176.5-173.9-2.6112.3
558R36.4Very low38.9Very low243 Ų243162.2 Ų162.292%0.91784%0.836SS**  -152.2142.2128.6-106.8170.5-169-153.10.4109.9
559P43.7Very low39.8Very low128 Ų128163.1 Ų163.183%0.83184%0.839SS**  trans-84153.5-174.934.1-34.9000112.2
560S33.8Very low40.6Very low115 Ų115160.9 Ų160.980%0.80484%0.84SS**  trans-138.3154.5169.1610000111
561H44.5Very low41.3Very low170 Ų170167 Ų16779%0.78784%0.843SS**  trans-69.6150.4-161.7-57-91.8000114.4K563H561-K563 PolarHBondContact O-N 3.11Å
562P44Very low41.8Very low132 Ų132166.2 Ų166.286%0.85784%0.84SS**  trans-71.39217630.7-35.5000111.5
563K39.4Very low42.3Very low194 Ų194166.2 Ų166.284%0.84384%0.84SS**  trans-95.5109.8162-73.8-172.6176.9-179.30108.8H561H561-K563 PolarHBondContact O-N 3.11Å
564Q46.2Very low42.6Very low178 Ų178172.6 Ų172.683%0.83285%0.848SS**  trans-57.4133.8179.5-69-172.5-9.400111R566Q564-R566 VanDerWaalsContact C-N 3.29Å; Q564-R566 PolarHBondContact O-N 3.38Å
565P39.6Very low42.9Very low126 Ų126171.9 Ų171.982%0.81884%0.839SS**  trans-70.790168.229.9-32.7000108.7A567P565-A567 PolarHBondContact O-N 3.05Å
566R43.7Very low43.5Very low227 Ų227178.3 Ų178.386%0.85784%0.842SS**  trans-52103.1173.9-177.1-177-170.4176.16.1108.7Q564 Q568Q564-R566 VanDerWaalsContact C-N 3.29Å; Q564-R566 PolarHBondContact O-N 3.38Å; R566-Q568 PolarHBondContact O-N 3.1Å
567A46.5Very low44.2Very low95 Ų95184.5 Ų184.579%0.78584%0.843SS**  trans-61.297.6-175.400000109.9P565 R569P565-A567 PolarHBondContact O-N 3.05Å; A567-R569 VanDerWaalsContact C-N 3.3Å; A567-R569 PolarHBondContact O-N 3.34Å
568Q44.6Very low45.1Very low175 Ų175178.3 Ų178.382%0.81882%0.82SS**  trans-71.891.1177.3-65.6-164.449.200108R566 P570R566-Q568 PolarHBondContact O-N 3.1Å; Q568-P570 VanDerWaalsContact O-N 3.12Å
569R49Very low46.7Very low231 Ų231177.5 Ų177.587%0.87282%0.817SS**  trans-41.6122.7163-85.5-174.1168.7-173.4-3.3107.2A567 R571A567-R569 VanDerWaalsContact C-N 3.3Å; A567-R569 PolarHBondContact O-N 3.34Å; R569-R571 PolarHBondContact O-N 2.83Å
570P47.7Very low48.5Very low123 Ų123172.7 Ų172.780%0.79979%0.785SS**  trans-54113.9-179.4-27.334.9000109Q568 P572Q568-P570 VanDerWaalsContact O-N 3.12Å; P570-P572 VanDerWaalsContact O-N 3.12Å
571R45.1Very low51Low225 Ų225171.1 Ų171.185%0.84977%0.768SS**  trans-52.7125.4172.8-75-176173.9-173.2-2.5106.1R569 R573R569-R571 PolarHBondContact O-N 2.83Å; R571-R573 PolarHBondContact O-N 3.12Å
572P48Very low53.2Low123 Ų123165.4 Ų165.480%0.79976%0.755SS**  trans-56.6112.5-176.921.8-32.2000107.3P570 R574P570-P572 VanDerWaalsContact O-N 3.12Å; P572-R574 PolarHBondContact O-N 3.44Å
573R44.6Very low55.6Low241 Ų241159.1 Ų159.191%0.90971%0.714SS**  trans-56.1109.4179.3-79-179.6168.4169.6-3.3105.5R571 R575R571-R573 PolarHBondContact O-N 3.12Å; R573-R575 PolarHBondContact O-N 3.39Å
574R45.3Very low58.3Low242 Ų242152.8 Ų152.891%0.91369%0.691SS**  trans-46.6110.8175.9-87.6-171.8168.5-159.7-2.5106P572 R576P572-R574 PolarHBondContact O-N 3.44Å; R574-R576 PolarHBondContact O-N 3.5Å
575R47.2Very low60.6Low192 Ų192147 Ų14773%0.72567%0.669SS**  trans-49.3115.3178.4-75.5-175.7171.6-157.3-3.7105.1R573 R577R573-R575 PolarHBondContact O-N 3.39Å; R575-R577 PolarHBondContact O-N 3.04Å
576R49.2Very low63.2Low236 Ų236143.3 Ų143.389%0.89165%0.645SS**  trans-49.5113.9-178.8-98.8-175.7166.6-175.2-3.7105.5R574 R578R574-R576 PolarHBondContact O-N 3.5Å; R576-R578 PolarHBondContact O-N 3.28Å
577R53.3Low65.5Low232 Ų232135.1 Ų135.188%0.87563%0.631SS**  trans-52.3114.1-172.8-87.7-170.4169.5-135.71107R575R575-R577 PolarHBondContact O-N 3.04Å
578R56.4Low67.6Low116 Ų116134.6 Ų134.644%0.43863%0.626SS.*  trans-65.7154-172.2-70.3179.9173-83.70.1108.5R576 T580 S650 G651R576-R578 PolarHBondContact O-N 3.28Å; R578-T580 PolarHBondContact O-N 3.23Å; R578-S650 PolarHBondContact NE-O 2.73Å; R578-S650 PolarHBondContact NH2-O 2.98Å; R578-G651 WeakPolarHBondContact CD-O 3.45Å
579R68.1Low70Confident226 Ų226128.7 Ų128.785%0.85361%0.608SS**  trans-79.255.3-165.7-68.7-171.1173.8-154.90.5112.4N581 A694R579-N581 PolarHBondContact O-N 2.76Å; R579-A694 WeakPolarHBondContact O-CB 3.37Å
580T81.7Confident72.1Confident28 Ų28120.5 Ų120.517%0.17259%0.585CS.*  trans-65.616.317658.70000114R578 G582 W583 L653 V693R578-T580 PolarHBondContact O-N 3.23Å; T580-G582 PolarHBondContact O-N 2.71Å; T580-G582 VanDerWaalsContact O-N 3.13Å; T580-W583 VanDerWaalsContact CB-O 3.3Å; T580-W583 WeakPolarHBondContact CB-O 3.34Å; T580-W583 VanDerWaalsContact O-CB 3.26Å; T580-W583 WeakPolarHBondContact O-CB 3.5Å; T580-W583 PolarHBondContact O-N 2.94Å; T580-W583 PolarHBondContact OG1-O 3.39Å; T580-L653 HydrophobicContact CG2-CB 3.98Å; T580-V693 HydrophobicContact CG2-CG2 4.2Å
581N87.6Confident74.3Confident81 Ų81122.6 Ų122.643%0.43358%0.584SS.*THydrogen-bonded Turntrans48.238.4-177.8-163.336.7000114.5R579 W583 R613 A694R579-N581 PolarHBondContact O-N 2.76Å; N581-W583 VanDerWaalsContact C-N 3.32Å; N581-W583 PolarHBondContact O-N 2.98Å; N581-R613 WeakPolarHBondContact O-CD 3.44Å; N581-A694 HydrophobicContact CB-CB 4.15Å; N581-A694 WeakPolarHBondContact CB-O 3.31Å
582G90.4Very high76.5Confident50 Ų50114.2 Ų114.252%0.51555%0.554SS.*THydrogen-bonded Turntrans88.8-18-178.100000115T580 V584T580-G582 PolarHBondContact O-N 2.71Å; T580-G582 VanDerWaalsContact O-N 3.13Å; G582-V584 PolarHBondContact O-N 3.15Å
583W94.5Very high78.6Confident1 Ų1110.6 Ų110.60%0.00453%0.534CS..  trans-61.5131.6177.6-65.1108.7000112.1T580 N581 V611 E612 R613 E616 I618 V693 I696T580-W583 VanDerWaalsContact CB-O 3.3Å; T580-W583 WeakPolarHBondContact CB-O 3.34Å; T580-W583 VanDerWaalsContact O-CB 3.26Å; T580-W583 WeakPolarHBondContact O-CB 3.5Å; T580-W583 PolarHBondContact O-N 2.94Å; T580-W583 PolarHBondContact OG1-O 3.39Å; N581-W583 VanDerWaalsContact C-N 3.32Å; N581-W583 PolarHBondContact O-N 2.98Å; W583-V611 HydrophobicContact CB-CB 4.49Å; W583-V611 HydrophobicContact CD2-CG2 4.15Å; W583-V611 HydrophobicContact CE3-CB 3.85Å; W583-V611 HydrophobicContact CE3-CG2 3.58Å; W583-V611 HydrophobicContact CZ3-CG2 4.04Å; W583-E612 WeakPolarHBondContact CA-O 3.35Å; W583-R613 HydrophobicContact CD2-CB 3.58Å; W583-R613 HydrophobicContact CD2-CG 4.38Å; W583-R613 HydrophobicContact CE3-CB 3.35Å; W583-R613 HydrophobicContact CG-CB 4.25Å; W583-R613 HydrophobicContact CH2-CB 3.87Å; W583-R613 HydrophobicContact CZ2-CB 4.13Å; W583-R613 VanDerWaalsContact CZ2-NE 3.33Å; W583-R613 HydrophobicContact CZ3-CB 3.5Å; W583-R613 VanDerWaalsContact CZ3-CB 3.5Å; W583-E616 HydrophobicContact CH2-CB 4.49Å; W583-E616 HydrophobicContact CH2-CG 4.21Å; W583-E616 WeakPolarHBondContact CH2-OE2 2.94Å; W583-I618 HydrophobicContact CH2-CB 4.45Å; W583-I618 HydrophobicContact CH2-CD1 3.23Å; W583-I618 HydrophobicContact CH2-CG1 3.64Å; W583-I618 HydrophobicContact CZ2-CD1 3.66Å; W583-I618 HydrophobicContact CZ3-CB 4.38Å; W583-I618 HydrophobicContact CZ3-CD1 3.99Å; W583-I618 HydrophobicContact CZ3-CG1 3.97Å; W583-V693 HydrophobicContact CB-CB 4.46Å; W583-V693 HydrophobicContact CB-CG2 3.79Å; W583-V693 HydrophobicContact CG-CB 4.48Å; W583-V693 HydrophobicContact CG-CG2 4.26Å; W583-V693 PolarHBondContact NE1-O 2.94Å; W583-I696 HydrophobicContact CZ2-CB 4.09Å; W583-I696 HydrophobicContact CZ2-CD1 4.48Å; W583-I696 HydrophobicContact CZ2-CG2 3.7Å
584V94.9Very high80.8Confident60 Ų6099.2 Ų99.236%0.36449%0.491SS..EExtended strand (participates in β ladder)trans-119.2146.2170.4-66.60000110.1G582 V611 E612G582-V584 PolarHBondContact O-N 3.15Å; V584-V611 CarbonylContact O-C 3.56Å; V584-V611 WeakPolarHBondContact O-CA 3.24Å; V584-V611 WeakPolarHBondContact O-CB 3.39Å; V584-E612 HydrophobicContact CG2-CB 4.42Å; V584-E612 WeakPolarHBondContact CG2-O 3.48Å; V584-E612 PolarHBondContact N-O 2.73Å; V584-E612 PolarHBondContact O-N 2.8Å
585P95Very high82.7Confident57 Ų5793.6 Ų93.637%0.3747%0.471SS..EExtended strand (participates in β ladder)trans-72.5143.6175.230-32000111.2Y608 L653P585-Y608 HydrophobicContact CB-CD1 3.5Å; P585-Y608 VanDerWaalsContact CB-CD1 3.5Å; P585-Y608 HydrophobicContact CB-CD2 3.85Å; P585-Y608 HydrophobicContact CB-CE1 3.64Å; P585-Y608 HydrophobicContact CB-CE2 4.01Å; P585-Y608 HydrophobicContact CB-CG 3.58Å; P585-Y608 HydrophobicContact CG-CD1 4.35Å; P585-Y608 HydrophobicContact CG-CE1 4Å; P585-Y608 HydrophobicContact CG-CE2 4.49Å; P585-L653 HydrophobicContact CB-CD2 3.97Å; P585-L653 HydrophobicContact CG-CD2 4.23Å
586V94.4Very high84.5Confident49 Ų4985.2 Ų85.230%0.29744%0.441SS..EExtended strand (participates in β ladder)trans-124.7142.5-179.2174.70000111.1A610 E612V586-A610 HydrophobicContact CB-CB 4.23Å; V586-A610 PolarHBondContact N-O 2.79Å; V586-E612 HydrophobicContact CG2-CB 3.55Å
587G91.6Very high86Confident55 Ų5579.1 Ų79.157%0.56743%0.426SS*.SBendtrans88.2172.9-171.600000113
588A91.9Very high87.3Confident83 Ų8375 Ų7569%0.68642%0.421SS*.  trans-65143.1172.200000110.6
589A93.6Very high88.6Confident52 Ų5273.8 Ų73.843%0.4342%0.42SS..  trans-72.2130.6170.100000109.6K606 S607 Y608A589-K606 HydrophobicContact CB-CD 4.4Å; A589-K606 HydrophobicContact CB-CG 3.95Å; A589-S607 WeakPolarHBondContact CA-O 3.28Å; A589-Y608 HydrophobicContact CB-CD1 4.14Å; A589-Y608 HydrophobicContact CB-CE1 3.66Å
590C93Very high89Confident59 Ų5969.4 Ų69.440%0.39942%0.421SS..EExtended strand (participates in β ladder)trans-117159.3173.159.30000110.7K606 S607C590-K606 CarbonylContact O-C 3.58Å; C590-S607 PolarHBondContact N-O 2.9Å; C590-S607 PolarHBondContact O-N 3.49Å
591E94.9Very high89.2Confident166 Ų16675.4 Ų75.478%0.77645%0.447SS*.EExtended strand (participates in β ladder)trans-86.5127165.5-69-176.7176.100108.5I604E591-I604 HydrophobicContact CB-CG2 3.94Å; E591-I604 HydrophobicContact CG-CG2 4.44Å
592K91.9Very high89.2Confident50 Ų5074 Ų7422%0.21744%0.443CS..EExtended strand (participates in β ladder)trans-136.2142.3179.3-161.8-161.9175.9-160.10109.1E135 V594 I604 R605 S642E135-K592 WeakPolarHBondContact OE1-CE 3.24Å; E135-K592 IonicContact OE1-NZ 3.43Å; E135-K592 PolarHBondContact OE1-NZ 3.27Å; E135-K592 WeakPolarHBondContact OE2-CE 3.24Å; E135-K592 IonicContact OE2-NZ 3.15Å; E135-K592 PolarHBondContact OE2-NZ 2.98Å; K592-V594 HydrophobicContact CB-CG2 4.36Å; K592-V594 HydrophobicContact CD-CG2 4.43Å; K592-I604 WeakPolarHBondContact O-CA 3.42Å; K592-R605 PolarHBondContact N-O 2.62Å; K592-R605 VanDerWaalsContact N-O 3.12Å; K592-R605 PolarHBondContact O-N 3.03Å; K592-S642 PolarHBondContact NZ-O 3.12Å
593A91.9Very high89.2Confident46 Ų4672.6 Ų72.638%0.3843%0.426SS..EExtended strand (participates in β ladder)trans-66.6128.2164.400000109.3P602A593-P602 HydrophobicContact CB-CB 3.92Å
594V89.8Confident89.1Confident2 Ų278.4 Ų78.41%0.01246%0.456CS..EExtended strand (participates in β ladder)trans-134.4131.6-174.4173.50000109.7K592 V596 P602 A603 R605 A643 W645 S656K592-V594 HydrophobicContact CB-CG2 4.36Å; K592-V594 HydrophobicContact CD-CG2 4.43Å; V594-V596 PolarHBondContact O-N 2.92Å; V594-P602 CarbonylContact O-C 3.51Å; V594-P602 WeakPolarHBondContact O-CA 3.38Å; V594-A603 PolarHBondContact N-O 2.92Å; V594-A603 PolarHBondContact O-N 2.72Å; V594-R605 HydrophobicContact CB-CB 4.3Å; V594-R605 HydrophobicContact CB-CG 4.2Å; V594-R605 HydrophobicContact CG2-CB 4.21Å; V594-A643 HydrophobicContact CB-CB 4.42Å; V594-A643 HydrophobicContact CG1-CB 3.82Å; V594-A643 HydrophobicContact CG2-CB 3.78Å; V594-W645 HydrophobicContact CG1-CD2 4.41Å; V594-W645 HydrophobicContact CG1-CG 4.1Å; V594-S656 WeakPolarHBondContact CG1-OG 3.49Å
595Y84.5Confident89.1Confident125 Ų12577 Ų7749%0.4944%0.444SS..  trans-62.6122.6170.1-71-79.8000110.6P602 S656 Q690Y595-P602 HydrophobicContact CD1-CG 4.17Å; Y595-P602 HydrophobicContact CE1-CG 3.75Å; Y595-P602 HydrophobicContact CE2-CG 4.5Å; Y595-S656 PolarHBondContact O-OG 2.9Å; Y595-Q690 PolarHBondContact O-NE2 2.72Å
596V85.2Confident89.1Confident15 Ų1578.9 Ų78.99%0.09145%0.446CS..  trans-123.1134.2177.5175.30000108.2V594 D598 E599 A603 R605 W645V594-V596 PolarHBondContact O-N 2.92Å; V596-D598 VanDerWaalsContact C-N 3.28Å; V596-D598 PolarHBondContact O-N 2.73Å; V596-E599 HydrophobicContact CB-CB 4.01Å; V596-E599 HydrophobicContact CB-CG 3.61Å; V596-E599 HydrophobicContact CG1-CB 4.32Å; V596-E599 HydrophobicContact CG1-CG 3.53Å; V596-E599 HydrophobicContact CG2-CG 4.46Å; V596-E599 PolarHBondContact O-N 2.91Å; V596-E599 VanDerWaalsContact O-N 3.15Å; V596-E599 VanDerWaalsContact O-O 3.14Å; V596-A603 HydrophobicContact CG2-CB 4.28Å; V596-R605 HydrophobicContact CG2-CG 4.45Å; V596-W645 HydrophobicContact CG2-CH2 4.5Å
597L81.9Confident89.2Confident109 Ų10976.7 Ų76.757%0.57143%0.433SS*.THydrogen-bonded Turntrans-65.6-31.6-166.5-175.762.4000113.2Q690L597-Q690 HydrophobicContact CB-CG 4.44Å
598D80.7Confident89.4Confident146 Ų14675.1 Ų75.178%0.78141%0.41SS*.THydrogen-bonded Turntrans-92.2-0.4-179.8-53.7-70.7000113.5V596V596-D598 VanDerWaalsContact C-N 3.28Å; V596-D598 PolarHBondContact O-N 2.73Å
599E83.9Confident89.6Confident90 Ų9076.9 Ų76.942%0.42140%0.404SS..  trans-112.2131.2-177.3-54.5-83.1-162.900110.2V596 E601 A603 R605V596-E599 HydrophobicContact CB-CB 4.01Å; V596-E599 HydrophobicContact CB-CG 3.61Å; V596-E599 HydrophobicContact CG1-CB 4.32Å; V596-E599 HydrophobicContact CG1-CG 3.53Å; V596-E599 HydrophobicContact CG2-CG 4.46Å; V596-E599 PolarHBondContact O-N 2.91Å; V596-E599 VanDerWaalsContact O-N 3.15Å; V596-E599 VanDerWaalsContact O-O 3.14Å; E599-E601 VanDerWaalsContact C-N 3.3Å; E599-E601 PolarHBondContact O-N 3.37Å; E599-A603 HydrophobicContact CG-CB 4.17Å; E599-R605 IonicContact OE1-CZ 2.68Å; E599-R605 IonicContact OE1-NH2 3.88Å; E599-R605 PolarHBondContact OE1-NH2 3.49Å
600P76.1Confident89.7Confident133 Ų13374.7 Ų74.786%0.86439%0.386SS*.SBendtrans-73-22.5-179.229.9-35.3000113.4
601E85.3Confident89.9Confident154 Ų15471.9 Ų71.972%0.7237%0.367SS*.SBendtrans-119.4153.9179.2-64.8-169.7167.900111.1E599 A603E599-E601 VanDerWaalsContact C-N 3.3Å; E599-E601 PolarHBondContact O-N 3.37Å; E601-A603 PolarHBondContact O-N 2.86Å
602P87.7Confident89.9Confident53 Ų5367.4 Ų67.434%0.34435%0.346SS..  trans-59.894.4175.5-27.238.1000113.3A593 V594 Y595A593-P602 HydrophobicContact CB-CB 3.92Å; V594-P602 CarbonylContact O-C 3.51Å; V594-P602 WeakPolarHBondContact O-CA 3.38Å; Y595-P602 HydrophobicContact CD1-CG 4.17Å; Y595-P602 HydrophobicContact CE1-CG 3.75Å; Y595-P602 HydrophobicContact CE2-CG 4.5Å
603A90.1Very high90.1Very high19 Ų1966.6 Ų66.616%0.15734%0.341CS..EExtended strand (participates in β ladder)trans-63.3138.9-177.300000112.1V594 V596 E599 E601 R605V594-A603 PolarHBondContact N-O 2.92Å; V594-A603 PolarHBondContact O-N 2.72Å; V596-A603 HydrophobicContact CG2-CB 4.28Å; E599-A603 HydrophobicContact CG-CB 4.17Å; E601-A603 PolarHBondContact O-N 2.86Å; A603-R605 HydrophobicContact CB-CG 4.5Å; A603-R605 PolarHBondContact O-N 3.1Å
604I93.7Very high90.1Very high123 Ų12373.1 Ų73.163%0.63136%0.364SS*.EExtended strand (participates in β ladder)trans-68.9121.7173.6-57.2177.5000108.6E591 K592E591-I604 HydrophobicContact CB-CG2 3.94Å; E591-I604 HydrophobicContact CG-CG2 4.44Å; K592-I604 WeakPolarHBondContact O-CA 3.42Å
605R94.4Very high90Very high31 Ų3175.7 Ų75.712%0.11739%0.39CS..EExtended strand (participates in β ladder)trans-134.1143.4-178.9-59-69157.2113.9-8.5110.4K592 V594 V596 E599 A603 S607 W645K592-R605 PolarHBondContact N-O 2.62Å; K592-R605 VanDerWaalsContact N-O 3.12Å; K592-R605 PolarHBondContact O-N 3.03Å; V594-R605 HydrophobicContact CB-CB 4.3Å; V594-R605 HydrophobicContact CB-CG 4.2Å; V594-R605 HydrophobicContact CG2-CB 4.21Å; V596-R605 HydrophobicContact CG2-CG 4.45Å; E599-R605 IonicContact OE1-CZ 2.68Å; E599-R605 IonicContact OE1-NH2 3.88Å; E599-R605 PolarHBondContact OE1-NH2 3.49Å; A603-R605 HydrophobicContact CB-CG 4.5Å; A603-R605 PolarHBondContact O-N 3.1Å; R605-S607 PolarHBondContact O-N 3.25Å; R605-S607 VanDerWaalsContact O-N 3.11Å; R605-S607 PolarHBondContact O-OG 2.82Å; R605-W645 HydrophobicContact CB-CB 4.08Å; R605-W645 HydrophobicContact CB-CD2 4.49Å; R605-W645 HydrophobicContact CB-CE3 4.11Å; R605-W645 HydrophobicContact CG-CD2 4.47Å; R605-W645 HydrophobicContact CG-CE3 3.9Å; R605-W645 HydrophobicContact CG-CZ3 4.44Å
606K95.4Very high90.4Very high97 Ų9772.2 Ų72.242%0.42238%0.379SS..EExtended strand (participates in β ladder)trans-65.2108.5173-178.7-171.5171.2-156.20109.1A589 C590 Y608 W645 E646A589-K606 HydrophobicContact CB-CD 4.4Å; A589-K606 HydrophobicContact CB-CG 3.95Å; C590-K606 CarbonylContact O-C 3.58Å; K606-Y608 WeakPolarHBondContact CE-OH 3.37Å; K606-Y608 PolarHBondContact NZ-OH 2.68Å; K606-W645 CarbonylContact O-C 3.58Å; K606-W645 WeakPolarHBondContact O-CA 3.49Å; K606-E646 HydrophobicContact CD-CB 4.45Å; K606-E646 IonicContact NZ-OE2 3.53Å; K606-E646 PolarHBondContact NZ-OE2 3.22Å; K606-E646 PolarHBondContact O-N 2.84Å
607S96.3Very high90.9Very high2 Ų274.4 Ų74.41%0.01439%0.392CS..EExtended strand (participates in β ladder)trans-118.1161.5-166.3-61.20000112.5A589 C590 R605 L644A589-S607 WeakPolarHBondContact CA-O 3.28Å; C590-S607 PolarHBondContact N-O 2.9Å; C590-S607 PolarHBondContact O-N 3.49Å; R605-S607 PolarHBondContact O-N 3.25Å; R605-S607 VanDerWaalsContact O-N 3.11Å; R605-S607 PolarHBondContact O-OG 2.82Å; S607-L644 CarbonylContact C-O 3.5Å; S607-L644 WeakPolarHBondContact CA-O 3.43Å; S607-L644 WeakPolarHBondContact CB-O 3.46Å
608Y96.2Very high91.5Very high23 Ų2369.2 Ų69.29%0.0937%0.365CS..EExtended strand (participates in β ladder)trans-133.7153.8-177.2-53.7-85.5000110.3P585 A589 K606 L644 E646 L653P585-Y608 HydrophobicContact CB-CD1 3.5Å; P585-Y608 VanDerWaalsContact CB-CD1 3.5Å; P585-Y608 HydrophobicContact CB-CD2 3.85Å; P585-Y608 HydrophobicContact CB-CE1 3.64Å; P585-Y608 HydrophobicContact CB-CE2 4.01Å; P585-Y608 HydrophobicContact CB-CG 3.58Å; P585-Y608 HydrophobicContact CG-CD1 4.35Å; P585-Y608 HydrophobicContact CG-CE1 4Å; P585-Y608 HydrophobicContact CG-CE2 4.49Å; A589-Y608 HydrophobicContact CB-CD1 4.14Å; A589-Y608 HydrophobicContact CB-CE1 3.66Å; K606-Y608 WeakPolarHBondContact CE-OH 3.37Å; K606-Y608 PolarHBondContact NZ-OH 2.68Å; Y608-L644 PolarHBondContact N-O 3.24Å; Y608-E646 HydrophobicContact CE2-CB 4.12Å; Y608-E646 PolarHBondContact OH-OE2 2.83Å; Y608-L653 HydrophobicContact CD2-CD1 3.71Å; Y608-L653 HydrophobicContact CE2-CD1 3.74Å
609Q94.8Very high92.2Very high119 Ų11968 Ų6856%0.55635%0.349SS*.SBendtrans-81.1-26.2179.9-62-171.719.800113R619 V620Q609-R619 WeakPolarHBondContact O-CA 3.47Å; Q609-V620 PolarHBondContact O-N 3.01Å
610A96Very high92.7Very high6 Ų665.3 Ų65.35%0.0534%0.339CS..EExtended strand (participates in β ladder)trans-154166.8-177.600000112.6V586 T617 I618 R619V586-A610 HydrophobicContact CB-CB 4.23Å; V586-A610 PolarHBondContact N-O 2.79Å; A610-T617 HydrophobicContact CB-CG2 3.93Å; A610-I618 CarbonylContact C-O 3.49Å; A610-I618 WeakPolarHBondContact CA-O 3.47Å; A610-I618 WeakPolarHBondContact CB-O 3.47Å; A610-R619 HydrophobicContact CB-CG 4.11Å
611V96.5Very high93.4Very high0 Ų060.4 Ų60.40%030%0.303CS..EExtended strand (participates in β ladder)trans-125.4149.8162.7-69.40000109.9W583 V584 T617 I618 L644 L653 V693W583-V611 HydrophobicContact CB-CB 4.49Å; W583-V611 HydrophobicContact CD2-CG2 4.15Å; W583-V611 HydrophobicContact CE3-CB 3.85Å; W583-V611 HydrophobicContact CE3-CG2 3.58Å; W583-V611 HydrophobicContact CZ3-CG2 4.04Å; V584-V611 CarbonylContact O-C 3.56Å; V584-V611 WeakPolarHBondContact O-CA 3.24Å; V584-V611 WeakPolarHBondContact O-CB 3.39Å; V611-T617 WeakPolarHBondContact O-CA 3.39Å; V611-I618 HydrophobicContact CG2-CB 4.13Å; V611-I618 PolarHBondContact N-O 2.95Å; V611-I618 PolarHBondContact O-N 3.11Å; V611-L644 HydrophobicContact CG1-CD1 4.27Å; V611-L644 HydrophobicContact CG1-CD2 4.16Å; V611-L644 HydrophobicContact CG2-CD1 4.4Å; V611-L644 HydrophobicContact CG2-CD2 4.33Å; V611-L653 HydrophobicContact CG1-CD2 3.69Å; V611-L653 HydrophobicContact CG1-CG 4.38Å; V611-V693 HydrophobicContact CG1-CG1 4.5Å
612E96.1Very high93.9Very high73 Ų7353.1 Ų53.134%0.34127%0.27SS..EExtended strand (participates in β ladder)trans-128145.8178.2-170.9-159.3135.500111.3W583 V584 V586 E616W583-E612 WeakPolarHBondContact CA-O 3.35Å; V584-E612 HydrophobicContact CG2-CB 4.42Å; V584-E612 WeakPolarHBondContact CG2-O 3.48Å; V584-E612 PolarHBondContact N-O 2.73Å; V584-E612 PolarHBondContact O-N 2.8Å; V586-E612 HydrophobicContact CG2-CB 3.55Å; E612-E616 CarbonylContact C-O 3.6Å; E612-E616 VanDerWaalsContact CA-O 3.26Å; E612-E616 WeakPolarHBondContact CA-O 3.34Å
613R94.7Very high94.2Very high32 Ų3250.9 Ų50.912%0.12126%0.255CS..EExtended strand (participates in β ladder)trans-152.2121173.7177.9-166.665.4178.81.1109.1N581 W583 G615 E616 I696 E697N581-R613 WeakPolarHBondContact O-CD 3.44Å; W583-R613 HydrophobicContact CD2-CB 3.58Å; W583-R613 HydrophobicContact CD2-CG 4.38Å; W583-R613 HydrophobicContact CE3-CB 3.35Å; W583-R613 HydrophobicContact CG-CB 4.25Å; W583-R613 HydrophobicContact CH2-CB 3.87Å; W583-R613 HydrophobicContact CZ2-CB 4.13Å; W583-R613 VanDerWaalsContact CZ2-NE 3.33Å; W583-R613 HydrophobicContact CZ3-CB 3.5Å; W583-R613 VanDerWaalsContact CZ3-CB 3.5Å; R613-G615 PolarHBondContact O-N 2.82Å; R613-E616 IonicContact CZ-OE2 3.77Å; R613-E616 PolarHBondContact N-O 3.09Å; R613-E616 IonicContact NE-OE2 2.94Å; R613-E616 IonicContact NH2-OE2 3.11Å; R613-E616 PolarHBondContact NH2-OE2 3.09Å; R613-E616 WeakPolarHBondContact O-CB 3.39Å; R613-E616 PolarHBondContact O-N 3.06Å; R613-I696 PolarHBondContact NH1-O 2.83Å; R613-E697 PolarHBondContact NH1-O 2.83Å; R613-E697 PolarHBondContact NH2-O 3.48Å
614H91.8Very high94.5Very high184 Ų18450 Ų5085%0.85225%0.248SC*.THydrogen-bonded Turntrans54.833.2179.1-53.2-56.6000114.5E616H614-E616 VanDerWaalsContact C-N 3.26Å; H614-E616 PolarHBondContact O-N 2.97Å
615G89.6Confident94.5Very high55 Ų5544.7 Ų44.757%0.56722%0.221SC*.THydrogen-bonded Turntrans84.3-16.9-17600000114.9R613 T617R613-G615 PolarHBondContact O-N 2.82Å; G615-T617 PolarHBondContact O-N 3.17Å
616E92.1Very high94.5Very high52 Ų5243.4 Ų43.424%0.24322%0.216CC..EExtended strand (participates in β ladder)trans-69.1116.8169.2-173.2-170.5-168.100109.1W583 E612 R613 H614 I618 K699W583-E616 HydrophobicContact CH2-CB 4.49Å; W583-E616 HydrophobicContact CH2-CG 4.21Å; W583-E616 WeakPolarHBondContact CH2-OE2 2.94Å; E612-E616 CarbonylContact C-O 3.6Å; E612-E616 VanDerWaalsContact CA-O 3.26Å; E612-E616 WeakPolarHBondContact CA-O 3.34Å; R613-E616 IonicContact CZ-OE2 3.77Å; R613-E616 PolarHBondContact N-O 3.09Å; R613-E616 IonicContact NE-OE2 2.94Å; R613-E616 IonicContact NH2-OE2 3.11Å; R613-E616 PolarHBondContact NH2-OE2 3.09Å; R613-E616 WeakPolarHBondContact O-CB 3.39Å; R613-E616 PolarHBondContact O-N 3.06Å; H614-E616 VanDerWaalsContact C-N 3.26Å; H614-E616 PolarHBondContact O-N 2.97Å; E616-I618 HydrophobicContact CG-CG1 4.3Å; E616-K699 WeakPolarHBondContact OE1-CB 3.12Å; E616-K699 PolarHBondContact OE1-N 3.29Å
617T94.8Very high94.2Very high61 Ų6143.5 Ų43.537%0.37422%0.216SC..EExtended strand (participates in β ladder)trans-106.4122.2175.7-600000110.6A610 V611 G615 R619A610-T617 HydrophobicContact CB-CG2 3.93Å; V611-T617 WeakPolarHBondContact O-CA 3.39Å; G615-T617 PolarHBondContact O-N 3.17Å; T617-R619 HydrophobicContact CG2-CG 4.39Å
618I95.6Very high93.1Very high0 Ų044.1 Ų44.10%022%0.22CC..EExtended strand (participates in β ladder)trans-113.5121.5177.7-58.9-174.6000108.9W583 A610 V611 E616 D622 V624 I641 I696 K699W583-I618 HydrophobicContact CH2-CB 4.45Å; W583-I618 HydrophobicContact CH2-CD1 3.23Å; W583-I618 HydrophobicContact CH2-CG1 3.64Å; W583-I618 HydrophobicContact CZ2-CD1 3.66Å; W583-I618 HydrophobicContact CZ3-CB 4.38Å; W583-I618 HydrophobicContact CZ3-CD1 3.99Å; W583-I618 HydrophobicContact CZ3-CG1 3.97Å; A610-I618 CarbonylContact C-O 3.49Å; A610-I618 WeakPolarHBondContact CA-O 3.47Å; A610-I618 WeakPolarHBondContact CB-O 3.47Å; V611-I618 HydrophobicContact CG2-CB 4.13Å; V611-I618 PolarHBondContact N-O 2.95Å; V611-I618 PolarHBondContact O-N 3.11Å; E616-I618 HydrophobicContact CG-CG1 4.3Å; I618-D622 HydrophobicContact CG2-CB 4.02Å; I618-V624 HydrophobicContact CD1-CG1 3.81Å; I618-V624 HydrophobicContact CG2-CG1 3.7Å; I618-I641 HydrophobicContact CG2-CD1 3.47Å; I618-I641 VanDerWaalsContact CG2-CD1 3.47Å; I618-I696 HydrophobicContact CD1-CG2 3.79Å; I618-K699 HydrophobicContact CD1-CB 4.05Å; I618-K699 HydrophobicContact CG1-CB 4.12Å; I618-K699 HydrophobicContact CG1-CD 4.42Å
619R94.9Very high91.8Very high120 Ų12045.4 Ų45.445%0.45324%0.241SC..EExtended strand (participates in β ladder)trans-99.4162-175.5-53.7-174.469.7171.51.4111.3Q609 A610 T617 R621 D622Q609-R619 WeakPolarHBondContact O-CA 3.47Å; A610-R619 HydrophobicContact CB-CG 4.11Å; T617-R619 HydrophobicContact CG2-CG 4.39Å; R619-R621 PolarHBondContact O-N 2.79Å; R619-D622 PolarHBondContact N-OD2 2.96Å; R619-D622 WeakPolarHBondContact O-CB 3.43Å; R619-D622 PolarHBondContact O-N 3.27Å; R619-D622 VanDerWaalsContact O-N 3.13Å
620V93.9Very high90.3Very high35 Ų3546.4 Ų46.421%0.21226%0.257CS..THydrogen-bonded Turntrans-55.4141.7159.5-179.20000108.9Q609 D622 S642 L644Q609-V620 PolarHBondContact O-N 3.01Å; V620-D622 VanDerWaalsContact C-N 3.33Å; V620-S642 VanDerWaalsContact CG1-O 3.3Å; V620-S642 WeakPolarHBondContact CG1-O 3.12Å; V620-L644 HydrophobicContact CG2-CB 4.37Å; V620-L644 HydrophobicContact CG2-CD1 3.98Å; V620-L644 HydrophobicContact CG2-CG 4.1Å
621R92Very high88.7Confident29 Ų2955.3 Ų55.311%0.10929%0.29CS..THydrogen-bonded Turntrans76.2-10.7-168.9-50.4-169168.7147.7-12.7117.5L132 E136 R619 K640 I641 H741L132-R621 HydrophobicContact CB-CG 4.25Å; L132-R621 HydrophobicContact CD1-CB 3.95Å; L132-R621 HydrophobicContact CD1-CG 3.95Å; L132-R621 HydrophobicContact CD2-CG 4.27Å; L132-R621 HydrophobicContact CG-CG 4.39Å; L132-R621 PolarHBondContact O-NE 3.15Å; L132-R621 PolarHBondContact O-NH2 3.35Å; E136-R621 VanDerWaalsContact CD-CZ 3.41Å; E136-R621 IonicContact OE1-CZ 2.71Å; E136-R621 IonicContact OE1-NH1 3.7Å; E136-R621 PolarHBondContact OE1-NH1 2.9Å; E136-R621 IonicContact OE1-NH2 3.15Å; E136-R621 IonicContact OE2-CZ 3.44Å; E136-R621 IonicContact OE2-NH1 3.3Å; E136-R621 PolarHBondContact OE2-NH1 2.91Å; E136-R621 IonicContact OE2-NH2 2.86Å; E136-R621 PolarHBondContact OE2-NH2 3.29Å; R619-R621 PolarHBondContact O-N 2.79Å; R621-K640 WeakPolarHBondContact O-CE 3.44Å; R621-I641 WeakPolarHBondContact CA-O 3.4Å; R621-I641 PolarHBondContact N-O 2.96Å; R621-H741 HydrophobicContact CB-CB 4.27Å
622D94.4Very high87Confident2 Ų265.8 Ų65.81%0.01134%0.335CS..  trans-67.5156.2171.3-74.4-27.1000111.3I618 R619 V620 I641 K699I618-D622 HydrophobicContact CG2-CB 4.02Å; R619-D622 PolarHBondContact N-OD2 2.96Å; R619-D622 WeakPolarHBondContact O-CB 3.43Å; R619-D622 PolarHBondContact O-N 3.27Å; R619-D622 VanDerWaalsContact O-N 3.13Å; V620-D622 VanDerWaalsContact C-N 3.33Å; D622-I641 PolarHBondContact O-N 2.97Å; D622-K699 VanDerWaalsContact CG-CE 3.42Å; D622-K699 WeakPolarHBondContact OD1-CE 3.17Å; D622-K699 IonicContact OD1-NZ 2.75Å; D622-K699 PolarHBondContact OD1-NZ 2.88Å; D622-K699 WeakPolarHBondContact OD2-CE 3.36Å; D622-K699 IonicContact OD2-NZ 2.7Å; D622-K699 PolarHBondContact OD2-NZ 3.41Å
623T95Very high85.4Confident6 Ų668.5 Ų68.54%0.03736%0.357CS..EExtended strand (participates in β ladder)trans-98.6147.616936.40000111.5A639 K640 Y660 C700 Y701 V702T623-A639 CarbonylContact C-O 3.18Å; T623-A639 VanDerWaalsContact CA-O 3.27Å; T623-A639 WeakPolarHBondContact CA-O 3.45Å; T623-K640 HydrophobicContact CG2-CB 3.9Å; T623-K640 HydrophobicContact CG2-CD 3.86Å; T623-K640 HydrophobicContact CG2-CG 3.59Å; T623-Y660 HydrophobicContact CG2-CD2 4.41Å; T623-Y660 HydrophobicContact CG2-CE2 3.69Å; T623-C700 CarbonylContact C-O 3.52Å; T623-C700 WeakPolarHBondContact CB-O 3.35Å; T623-C700 PolarHBondContact O-N 2.95Å; T623-C700 PolarHBondContact OG1-O 2.88Å; T623-Y701 WeakPolarHBondContact OG1-CA 3.45Å; T623-V702 HydrophobicContact CG2-CB 4.04Å; T623-V702 HydrophobicContact CG2-CG2 3.73Å; T623-V702 PolarHBondContact OG1-N 3.23Å
624V95.7Very high84.3Confident0 Ų069.4 Ų69.40%037%0.368CS..EExtended strand (participates in β ladder)trans-142.1153.2-172.5-69.80000112.7I618 L626 A639 I641 I696 C700I618-V624 HydrophobicContact CD1-CG1 3.81Å; I618-V624 HydrophobicContact CG2-CG1 3.7Å; V624-L626 HydrophobicContact CG2-CD1 3.82Å; V624-A639 PolarHBondContact N-O 3.43Å; V624-A639 PolarHBondContact O-N 3.13Å; V624-A639 VanDerWaalsContact O-N 3.07Å; V624-I641 HydrophobicContact CG1-CD1 3.79Å; V624-I641 HydrophobicContact CG2-CD1 4.12Å; V624-I641 HydrophobicContact CG2-CG1 4.09Å; V624-I696 HydrophobicContact CB-CG2 4.2Å; V624-I696 HydrophobicContact CG1-CG2 4.13Å; V624-C700 VanDerWaalsContact C-SG 3.5Å
625L95.1Very high83.9Confident12 Ų1263.3 Ų63.36%0.06334%0.344CS..EExtended strand (participates in β ladder)trans-90.6137.7166.5-62.8-175.7000110.7P636 Y637 V638 E697 E698 C700 L752 F754L625-P636 HydrophobicContact CB-CB 4.28Å; L625-P636 HydrophobicContact CD1-CG 4.27Å; L625-P636 HydrophobicContact CD2-CB 4.36Å; L625-P636 HydrophobicContact CD2-CG 4.38Å; L625-Y637 WeakPolarHBondContact CA-O 3.42Å; L625-V638 HydrophobicContact CD2-CG2 3.8Å; L625-E697 HydrophobicContact CB-CB 4.26Å; L625-E697 PolarHBondContact O-N 3.07Å; L625-E698 PolarHBondContact N-O 3.11Å; L625-C700 HydrophobicContact CD2-CB 4.31Å; L625-C700 HydrophobicContact CG-CB 4.06Å; L625-L752 HydrophobicContact CD1-CD2 3.72Å; L625-F754 HydrophobicContact CD2-CE2 4.06Å; L625-F754 HydrophobicContact CD2-CZ 4.31Å
626L93.9Very high83.9Confident4 Ų462.3 Ų62.32%0.02133%0.328CS..EExtended strand (participates in β ladder)trans-122.3142.8179.6-68.995.4000112.8V624 S628 Y637 A639 M655 L657 W659 N691 C695V624-L626 HydrophobicContact CG2-CD1 3.82Å; L626-S628 PolarHBondContact O-N 3.14Å; L626-S628 VanDerWaalsContact O-N 3.16Å; L626-Y637 PolarHBondContact N-O 3.37Å; L626-Y637 PolarHBondContact O-N 3.38Å; L626-A639 HydrophobicContact CD1-CB 3.71Å; L626-M655 HydrophobicContact CD2-CE 3.51Å; L626-M655 HydrophobicContact CG-CE 4.29Å; L626-L657 HydrophobicContact CD1-CD1 4.4Å; L626-L657 HydrophobicContact CD2-CD1 3.63Å; L626-W659 HydrophobicContact CD1-CH2 4.34Å; L626-W659 HydrophobicContact CD1-CZ3 4.02Å; L626-W659 HydrophobicContact CD2-CH2 4.07Å; L626-N691 HydrophobicContact CD2-CB 4.29Å; L626-C695 WeakPolarHBondContact CA-O 3.47Å; L626-C695 HydrophobicContact CD2-CB 4.17Å
627K87.9Confident83.9Confident99 Ų9964.2 Ų64.243%0.4333%0.333SS..  trans-57.5114.6178.8-76.8-174.5163.249.30112.3G629 C695 E697K627-G629 PolarHBondContact O-N 2.88Å; K627-C695 PolarHBondContact N-O 2.94Å; K627-E697 HydrophobicContact CB-CG 4.48Å; K627-E697 WeakPolarHBondContact CE-OE1 3.35Å; K627-E697 HydrophobicContact CG-CG 3.63Å; K627-E697 WeakPolarHBondContact CG-OE1 3.36Å; K627-E697 IonicContact NZ-OE1 2.8Å; K627-E697 PolarHBondContact NZ-OE1 3.35Å
628S74.4Confident84Confident14 Ų1461.3 Ų61.310%0.09832%0.315CS..  trans-77.560.4175.7-60.70000112.8L626 S634 T635 P636 Y637L626-S628 PolarHBondContact O-N 3.14Å; L626-S628 VanDerWaalsContact O-N 3.16Å; S628-S634 PolarHBondContact O-OG 3.43Å; S628-T635 WeakPolarHBondContact CB-O 3.4Å; S628-T635 PolarHBondContact OG-O 3.28Å; S628-P636 WeakPolarHBondContact OG-CA 3.22Å; S628-Y637 WeakPolarHBondContact OG-CD2 3.38Å; S628-Y637 WeakPolarHBondContact OG-CE2 3.49Å; S628-Y637 PolarHBondContact OG-N 3.25Å
629G68.6Low83.9Confident50 Ų5061.3 Ų61.352%0.51532%0.315SS..THydrogen-bonded Turntrans74.3-164.1176.600000114.8K627 R631K627-G629 PolarHBondContact O-N 2.88Å; G629-R631 PolarHBondContact O-N 3.5Å
630P62.6Low83.9Confident140 Ų14056 Ų5691%0.90930%0.296SS*.THydrogen-bonded Turntrans-78.6-0.4-17732.2-36.4000114.2
631R64.3Low84Confident194 Ų19454.4 Ų54.473%0.73229%0.286SS*.  trans-97.2122.9179.5-64.6-174.4-178.9-1380.6109.4G629 T633 S634G629-R631 PolarHBondContact O-N 3.5Å; R631-T633 PolarHBondContact O-N 2.89Å; R631-T633 VanDerWaalsContact O-N 3.12Å; R631-S634 PolarHBondContact O-OG 3.38Å; R631-S634 VanDerWaalsContact O-OG 3.08Å
632K59.9Low84.1Confident219 Ų21953.7 Ų53.795%0.95229%0.286SS*.THydrogen-bonded Turntrans-73.86.3179.8-63.8-170.9175.8-171.90114.9
633T63.1Low84.1Confident130 Ų13053.8 Ų53.880%0.79829%0.287SS*.THydrogen-bonded Turntrans-120.36.9-170.364.70000113.1R631R631-T633 PolarHBondContact O-N 2.89Å; R631-T633 VanDerWaalsContact O-N 3.12Å
634S71.5Confident84.2Confident51 Ų5153.6 Ų53.636%0.35729%0.285SS..SBendtrans-96.9131177.370000109.7S628 R631S628-S634 PolarHBondContact O-OG 3.43Å; R631-S634 PolarHBondContact O-OG 3.38Å; R631-S634 VanDerWaalsContact O-OG 3.08Å
635T82.9Confident84.2Confident57 Ų5753.6 Ų53.635%0.3529%0.285SS..PPolyproline II helixtrans-50.6131.9178-43.60000111.1S628 R662S628-T635 WeakPolarHBondContact CB-O 3.4Å; S628-T635 PolarHBondContact OG-O 3.28Å; T635-R662 VanDerWaalsContact CG2-CD 3.47Å
636P89.2Confident84.2Confident34 Ų3455.1 Ų55.122%0.22129%0.292CS..PPolyproline II helixtrans-67.1136.6-177.325.1-32.9000111.5L625 S628 R662L625-P636 HydrophobicContact CB-CB 4.28Å; L625-P636 HydrophobicContact CD1-CG 4.27Å; L625-P636 HydrophobicContact CD2-CB 4.36Å; L625-P636 HydrophobicContact CD2-CG 4.38Å; S628-P636 WeakPolarHBondContact OG-CA 3.22Å; P636-R662 PolarHBondContact O-NE 3.41Å
637Y93.3Very high84.1Confident91 Ų9156.3 Ų56.336%0.35730%0.299SS..EExtended strand (participates in β ladder)trans-71.2148.6174.2-63.9-77.9000110.9L625 L626 S628 W659 H665L625-Y637 WeakPolarHBondContact CA-O 3.42Å; L626-Y637 PolarHBondContact N-O 3.37Å; L626-Y637 PolarHBondContact O-N 3.38Å; S628-Y637 WeakPolarHBondContact OG-CD2 3.38Å; S628-Y637 WeakPolarHBondContact OG-CE2 3.49Å; S628-Y637 PolarHBondContact OG-N 3.25Å; Y637-W659 VanDerWaalsContact CB-CZ3 3.43Å; Y637-W659 HydrophobicContact CG-CZ3 4.17Å; Y637-H665 AromaticContact CD1-CE1 3.42Å; Y637-H665 VanDerWaalsContact CD1-CE1 3.42Å; Y637-H665 WeakPolarHBondContact CD1-CE1 3.41Å; Y637-H665 AromaticContact CD1-ND1 3.68Å; Y637-H665 AromaticContact CE1-CE1 3.62Å; Y637-H665 AromaticContact CE1-ND1 3.8Å
638V95Very high84.3Confident0 Ų056 Ų560%031%0.307CS..EExtended strand (participates in β ladder)trans-114.3129.8-178.5-175.30000108.5L625 Y660 R662 V702 F754L625-V638 HydrophobicContact CD2-CG2 3.8Å; V638-Y660 HydrophobicContact CG1-CD2 4.04Å; V638-Y660 HydrophobicContact CG1-CG 4.35Å; V638-Y660 PolarHBondContact O-N 3.11Å; V638-Y660 VanDerWaalsContact O-O 3.14Å; V638-R662 HydrophobicContact CG2-CG 4.39Å; V638-V702 HydrophobicContact CG1-CG2 3.79Å; V638-F754 HydrophobicContact CG1-CD2 4.42Å; V638-F754 HydrophobicContact CG2-CE2 4.32Å; V638-F754 HydrophobicContact CG2-CZ 4.5Å
639A95.4Very high85Confident0 Ų064.2 Ų64.20%034%0.343CS..EExtended strand (participates in β ladder)trans-143159.6177.800000112.5T623 V624 L626 L657 L658 W659T623-A639 CarbonylContact C-O 3.18Å; T623-A639 VanDerWaalsContact CA-O 3.27Å; T623-A639 WeakPolarHBondContact CA-O 3.45Å; V624-A639 PolarHBondContact N-O 3.43Å; V624-A639 PolarHBondContact O-N 3.13Å; V624-A639 VanDerWaalsContact O-N 3.07Å; L626-A639 HydrophobicContact CD1-CB 3.71Å; A639-L657 HydrophobicContact CB-CB 4.29Å; A639-L657 HydrophobicContact CB-CD1 4.21Å; A639-L657 HydrophobicContact CB-CD2 3.99Å; A639-L657 HydrophobicContact CB-CG 4.41Å; A639-L658 CarbonylContact C-O 3.59Å; A639-L658 VanDerWaalsContact CA-O 3.3Å; A639-L658 WeakPolarHBondContact CA-O 3.36Å; A639-W659 HydrophobicContact CB-CD2 4.44Å; A639-W659 HydrophobicContact CB-CE3 3.75Å; A639-W659 HydrophobicContact CB-CZ3 3.89Å
640K94.8Very high85.9Confident10 Ų1063.2 Ų63.24%0.04333%0.328CS..EExtended strand (participates in β ladder)trans-104.7139.1169-146.7158-178.2-175.70110.8L132 R621 T623 L657 L658 Y660L132-K640 HydrophobicContact CD1-CD 3.46Å; L132-K640 VanDerWaalsContact CD1-CD 3.46Å; L132-K640 HydrophobicContact CD1-CG 3.82Å; R621-K640 WeakPolarHBondContact O-CE 3.44Å; T623-K640 HydrophobicContact CG2-CB 3.9Å; T623-K640 HydrophobicContact CG2-CD 3.86Å; T623-K640 HydrophobicContact CG2-CG 3.59Å; K640-L657 WeakPolarHBondContact O-CA 3.18Å; K640-L658 PolarHBondContact N-O 3.36Å; K640-L658 PolarHBondContact O-N 2.7Å; K640-Y660 HydrophobicContact CB-CE2 3.96Å; K640-Y660 HydrophobicContact CD-CE2 4.35Å
641I95.2Very high87.2Confident0 Ų057.3 Ų57.30%029%0.293CS..EExtended strand (participates in β ladder)trans-85.9119.7179.7-63.4167.5000109.9I618 R621 D622 V624 L644 M655 L657I618-I641 HydrophobicContact CG2-CD1 3.47Å; I618-I641 VanDerWaalsContact CG2-CD1 3.47Å; R621-I641 WeakPolarHBondContact CA-O 3.4Å; R621-I641 PolarHBondContact N-O 2.96Å; D622-I641 PolarHBondContact O-N 2.97Å; V624-I641 HydrophobicContact CG1-CD1 3.79Å; V624-I641 HydrophobicContact CG2-CD1 4.12Å; V624-I641 HydrophobicContact CG2-CG1 4.09Å; I641-L644 HydrophobicContact CG2-CD1 4.46Å; I641-L644 HydrophobicContact CG2-CD2 4.02Å; I641-L644 HydrophobicContact CG2-CG 3.83Å; I641-M655 HydrophobicContact CG1-SD 4.42Å; I641-L657 HydrophobicContact CG1-CD2 3.87Å
642S93.5Very high88.5Confident15 Ų1550.4 Ų50.411%0.10527%0.269CS..EExtended strand (participates in β ladder)trans-95.3-28.4174.259.60000113.3K592 V620 S656K592-S642 PolarHBondContact NZ-O 3.12Å; V620-S642 VanDerWaalsContact CG1-O 3.3Å; V620-S642 WeakPolarHBondContact CG1-O 3.12Å; S642-S656 PolarHBondContact N-O 2.86Å; S642-S656 WeakPolarHBondContact OG-CB 3.3Å; S642-S656 PolarHBondContact OG-O 3.02Å; S642-S656 VanDerWaalsContact OG-O 3.1Å
643A94.9Very high90.2Very high4 Ų440.5 Ų40.53%0.03323%0.227CC..EExtended strand (participates in β ladder)trans-155149.5172.800000111.9V594 M655 S656V594-A643 HydrophobicContact CB-CB 4.42Å; V594-A643 HydrophobicContact CG1-CB 3.82Å; V594-A643 HydrophobicContact CG2-CB 3.78Å; A643-M655 CarbonylContact O-C 3.5Å; A643-M655 VanDerWaalsContact O-CA 3.26Å; A643-M655 WeakPolarHBondContact O-CA 3.45Å; A643-S656 PolarHBondContact O-N 2.95Å
644L96.3Very high91.7Very high1 Ų135.7 Ų35.71%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-116.2121.7168.7-66.8163000107.5S607 Y608 V611 V620 I641 M655 V693S607-L644 CarbonylContact C-O 3.5Å; S607-L644 WeakPolarHBondContact CA-O 3.43Å; S607-L644 WeakPolarHBondContact CB-O 3.46Å; Y608-L644 PolarHBondContact N-O 3.24Å; V611-L644 HydrophobicContact CG1-CD1 4.27Å; V611-L644 HydrophobicContact CG1-CD2 4.16Å; V611-L644 HydrophobicContact CG2-CD1 4.4Å; V611-L644 HydrophobicContact CG2-CD2 4.33Å; V620-L644 HydrophobicContact CG2-CB 4.37Å; V620-L644 HydrophobicContact CG2-CD1 3.98Å; V620-L644 HydrophobicContact CG2-CG 4.1Å; I641-L644 HydrophobicContact CG2-CD1 4.46Å; I641-L644 HydrophobicContact CG2-CD2 4.02Å; I641-L644 HydrophobicContact CG2-CG 3.83Å; L644-M655 HydrophobicContact CD2-CB 3.97Å; L644-V693 HydrophobicContact CD2-CG1 3.99Å
645W96Very high92.8Very high1 Ų133.2 Ų33.20%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-149.6147.8-167.358.9-78.4000113.5V594 V596 R605 K606 N647 M654 S656 Q690V594-W645 HydrophobicContact CG1-CD2 4.41Å; V594-W645 HydrophobicContact CG1-CG 4.1Å; V596-W645 HydrophobicContact CG2-CH2 4.5Å; R605-W645 HydrophobicContact CB-CB 4.08Å; R605-W645 HydrophobicContact CB-CD2 4.49Å; R605-W645 HydrophobicContact CB-CE3 4.11Å; R605-W645 HydrophobicContact CG-CD2 4.47Å; R605-W645 HydrophobicContact CG-CE3 3.9Å; R605-W645 HydrophobicContact CG-CZ3 4.44Å; K606-W645 CarbonylContact O-C 3.58Å; K606-W645 WeakPolarHBondContact O-CA 3.49Å; W645-N647 HydrophobicContact CE3-CB 4.33Å; W645-N647 HydrophobicContact CH2-CB 4.17Å; W645-N647 HydrophobicContact CZ3-CB 3.68Å; W645-M654 HydrophobicContact CD2-CB 3.91Å; W645-M654 VanDerWaalsContact CE2-CB 3.41Å; W645-M654 HydrophobicContact CE3-CB 4.4Å; W645-M654 HydrophobicContact CG-CB 4.43Å; W645-M654 HydrophobicContact CH2-CB 3.99Å; W645-M654 HydrophobicContact CH2-CG 3.96Å; W645-M654 HydrophobicContact CZ2-CB 3.4Å; W645-M654 HydrophobicContact CZ2-CG 3.86Å; W645-M654 HydrophobicContact CZ3-CB 4.47Å; W645-M654 HydrophobicContact CZ3-CG 4.42Å; W645-M654 PolarHBondContact N-O 2.89Å; W645-M654 PolarHBondContact O-N 3.5Å; W645-S656 PolarHBondContact NE1-OG 2.88Å; W645-Q690 VanDerWaalsContact CZ2-CD 3.45Å
646E95.2Very high93.4Very high43 Ų4330.7 Ų30.720%0.20116%0.163CC..EExtended strand (participates in β ladder)trans-84.9122.3172.3-171.7171.2167.300109.6K606 Y608K606-E646 HydrophobicContact CD-CB 4.45Å; K606-E646 IonicContact NZ-OE2 3.53Å; K606-E646 PolarHBondContact NZ-OE2 3.22Å; K606-E646 PolarHBondContact O-N 2.84Å; Y608-E646 HydrophobicContact CE2-CB 4.12Å; Y608-E646 PolarHBondContact OH-OE2 2.83Å
647N93.1Very high93.7Very high30 Ų3029.1 Ų29.116%0.1615%0.153CC..  trans-67.5128.9174.4166.5-54.3000109.5W645 E649 S650 G651 E652 M654W645-N647 HydrophobicContact CE3-CB 4.33Å; W645-N647 HydrophobicContact CH2-CB 4.17Å; W645-N647 HydrophobicContact CZ3-CB 3.68Å; N647-E649 PolarHBondContact OD1-N 2.67Å; N647-E649 VanDerWaalsContact OD1-N 3.08Å; N647-S650 WeakPolarHBondContact CB-OG 3.17Å; N647-S650 PolarHBondContact OD1-N 2.81Å; N647-S650 PolarHBondContact OD1-OG 2.81Å; N647-G651 WeakPolarHBondContact O-CA 3.26Å; N647-G651 PolarHBondContact O-N 2.95Å; N647-E652 PolarHBondContact N-O 3.13Å; N647-M654 HydrophobicContact CB-CG 3.85Å
648P91Very high93.7Very high92 Ų9225 Ų2560%0.59714%0.137SC*.THydrogen-bonded Turntrans-70.9-34.6-170.826.5-34.2000113.7
649E88.4Confident93.7Very high186 Ų18626.4 Ų26.487%0.86914%0.142SC*.THydrogen-bonded Turntrans-72.7-43.8-178.4-53.4-176.5147.800111.9N647N647-E649 PolarHBondContact OD1-N 2.67Å; N647-E649 VanDerWaalsContact OD1-N 3.08Å
650S88.4Confident93.6Very high29 Ų2926.6 Ų26.620%0.20314%0.143CC..THydrogen-bonded Turntrans-90.6-43-177.361.90000112.2R578 N647 E652R578-S650 PolarHBondContact NE-O 2.73Å; R578-S650 PolarHBondContact NH2-O 2.98Å; N647-S650 WeakPolarHBondContact CB-OG 3.17Å; N647-S650 PolarHBondContact OD1-N 2.81Å; N647-S650 PolarHBondContact OD1-OG 2.81Å; S650-E652 VanDerWaalsContact C-N 3.32Å; S650-E652 WeakPolarHBondContact OG-CB 3.42Å; S650-E652 PolarHBondContact OG-N 2.89Å
651G89.4Confident93.5Very high17 Ų1728.1 Ų28.118%0.17515%0.149CC..  trans72.126.5-159.500000112.7R578 N647R578-G651 WeakPolarHBondContact CD-O 3.45Å; N647-G651 WeakPolarHBondContact O-CA 3.26Å; N647-G651 PolarHBondContact O-N 2.95Å
652E92.3Very high93.2Very high48 Ų4829.2 Ų29.222%0.22415%0.153CC..  trans-87.1147.8168.3-167.1153.8153.600110.9N647 S650 S692N647-E652 PolarHBondContact N-O 3.13Å; S650-E652 VanDerWaalsContact C-N 3.32Å; S650-E652 WeakPolarHBondContact OG-CB 3.42Å; S650-E652 PolarHBondContact OG-N 2.89Å; E652-S692 WeakPolarHBondContact OE1-CB 3.33Å; E652-S692 PolarHBondContact OE1-OG 2.92Å
653L94.4Very high92.9Very high11 Ų1128.6 Ų28.66%0.05815%0.148CC..EExtended strand (participates in β ladder)trans-87.1115.5179.2-171.854.3000109.5T580 P585 Y608 V611 V693T580-L653 HydrophobicContact CG2-CB 3.98Å; P585-L653 HydrophobicContact CB-CD2 3.97Å; P585-L653 HydrophobicContact CG-CD2 4.23Å; Y608-L653 HydrophobicContact CD2-CD1 3.71Å; Y608-L653 HydrophobicContact CE2-CD1 3.74Å; V611-L653 HydrophobicContact CG1-CD2 3.69Å; V611-L653 HydrophobicContact CG1-CG 4.38Å; L653-V693 HydrophobicContact CB-CG2 3.96Å; L653-V693 HydrophobicContact CD2-CG2 4.11Å; L653-V693 HydrophobicContact CG-CG1 4.03Å; L653-V693 HydrophobicContact CG-CG2 3.91Å; L653-V693 WeakPolarHBondContact O-CG2 3.15Å; L653-V693 PolarHBondContact O-N 3.39Å; L653-V693 VanDerWaalsContact O-N 3.09Å
654M95.3Very high92.4Very high29 Ų2931.7 Ų31.714%0.14316%0.162CC..EExtended strand (participates in β ladder)trans-112.3160.8-174.3-61.7-63.1-69.200110.5W645 N647 N691W645-M654 HydrophobicContact CD2-CB 3.91Å; W645-M654 VanDerWaalsContact CE2-CB 3.41Å; W645-M654 HydrophobicContact CE3-CB 4.4Å; W645-M654 HydrophobicContact CG-CB 4.43Å; W645-M654 HydrophobicContact CH2-CB 3.99Å; W645-M654 HydrophobicContact CH2-CG 3.96Å; W645-M654 HydrophobicContact CZ2-CB 3.4Å; W645-M654 HydrophobicContact CZ2-CG 3.86Å; W645-M654 HydrophobicContact CZ3-CB 4.47Å; W645-M654 HydrophobicContact CZ3-CG 4.42Å; W645-M654 PolarHBondContact N-O 2.89Å; W645-M654 PolarHBondContact O-N 3.5Å; N647-M654 HydrophobicContact CB-CG 3.85Å; M654-N691 WeakPolarHBondContact CA-O 3.28Å; M654-N691 VanDerWaalsContact CE-C 3.49Å
655M95.8Very high91.9Very high0 Ų033.8 Ų33.80%017%0.172CC..EExtended strand (participates in β ladder)trans-126.9134.816951.6-178171.700110L626 I641 A643 L644 L657 Q690 N691 S692 V693 C695 I696L626-M655 HydrophobicContact CD2-CE 3.51Å; L626-M655 HydrophobicContact CG-CE 4.29Å; I641-M655 HydrophobicContact CG1-SD 4.42Å; A643-M655 CarbonylContact O-C 3.5Å; A643-M655 VanDerWaalsContact O-CA 3.26Å; A643-M655 WeakPolarHBondContact O-CA 3.45Å; L644-M655 HydrophobicContact CD2-CB 3.97Å; M655-L657 HydrophobicContact CB-CD2 4.36Å; M655-L657 HydrophobicContact CE-CD1 4.15Å; M655-L657 HydrophobicContact CG-CD1 4.27Å; M655-L657 HydrophobicContact CG-CD2 4.05Å; M655-L657 HydrophobicContact CG-CG 4.06Å; M655-L657 HydrophobicContact SD-CD1 4.25Å; M655-L657 HydrophobicContact SD-CD2 3.79Å; M655-L657 HydrophobicContact SD-CG 4.28Å; M655-Q690 WeakPolarHBondContact O-CA 3.07Å; M655-N691 HydrophobicContact CE-CB 3.93Å; M655-N691 HydrophobicContact CG-CB 4.41Å; M655-N691 VanDerWaalsContact CG-O 3.3Å; M655-N691 WeakPolarHBondContact CG-O 3.36Å; M655-N691 PolarHBondContact N-O 3.11Å; M655-N691 PolarHBondContact O-N 2.86Å; M655-S692 WeakPolarHBondContact CE-O 3.46Å; M655-V693 HydrophobicContact CB-CG1 4.27Å; M655-V693 HydrophobicContact CG-CG1 4.32Å; M655-C695 HydrophobicContact CE-CB 4.32Å; M655-I696 HydrophobicContact CE-CD1 4.18Å; M655-I696 HydrophobicContact CE-CG1 3.46Å; M655-I696 VanDerWaalsContact CE-CG1 3.46Å; M655-I696 HydrophobicContact SD-CD1 3.78Å; M655-I696 HydrophobicContact SD-CG1 3.69Å
656S95.4Very high91.4Very high3 Ų334.6 Ų34.62%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-88.2135.9163.2-64.70000108.5V594 Y595 S642 A643 W645 Q690V594-S656 WeakPolarHBondContact CG1-OG 3.49Å; Y595-S656 PolarHBondContact O-OG 2.9Å; S642-S656 PolarHBondContact N-O 2.86Å; S642-S656 WeakPolarHBondContact OG-CB 3.3Å; S642-S656 PolarHBondContact OG-O 3.02Å; S642-S656 VanDerWaalsContact OG-O 3.1Å; A643-S656 PolarHBondContact O-N 2.95Å; W645-S656 PolarHBondContact NE1-OG 2.88Å; S656-Q690 PolarHBondContact OG-NE2 2.93Å
657L94.8Very high90.1Very high1 Ų139.7 Ų39.71%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-128.3159.3-165-69.4179000112.6L626 A639 K640 I641 M655 W659 Q688 D689 N691L626-L657 HydrophobicContact CD1-CD1 4.4Å; L626-L657 HydrophobicContact CD2-CD1 3.63Å; A639-L657 HydrophobicContact CB-CB 4.29Å; A639-L657 HydrophobicContact CB-CD1 4.21Å; A639-L657 HydrophobicContact CB-CD2 3.99Å; A639-L657 HydrophobicContact CB-CG 4.41Å; K640-L657 WeakPolarHBondContact O-CA 3.18Å; I641-L657 HydrophobicContact CG1-CD2 3.87Å; M655-L657 HydrophobicContact CB-CD2 4.36Å; M655-L657 HydrophobicContact CE-CD1 4.15Å; M655-L657 HydrophobicContact CG-CD1 4.27Å; M655-L657 HydrophobicContact CG-CD2 4.05Å; M655-L657 HydrophobicContact CG-CG 4.06Å; M655-L657 HydrophobicContact SD-CD1 4.25Å; M655-L657 HydrophobicContact SD-CD2 3.79Å; M655-L657 HydrophobicContact SD-CG 4.28Å; L657-W659 HydrophobicContact CD1-CH2 4.47Å; L657-W659 HydrophobicContact CD1-CZ2 4.49Å; L657-Q688 WeakPolarHBondContact O-CA 3.26Å; L657-D689 PolarHBondContact N-O 3.29Å; L657-D689 PolarHBondContact O-N 3.21Å; L657-D689 VanDerWaalsContact O-N 3.11Å; L657-N691 HydrophobicContact CD1-CB 3.94Å
658L93.5Very high88.9Confident4 Ų442 Ų422%0.02123%0.231CC..EExtended strand (participates in β ladder)trans-130.7120.7170.1-75.5156000109.3L131 A639 K640 H687 Q688L131-L658 HydrophobicContact CB-CD1 3.84Å; L131-L658 HydrophobicContact CD1-CB 4.45Å; L131-L658 HydrophobicContact CD1-CD1 4.14Å; L131-L658 HydrophobicContact CD1-CD2 4.45Å; L131-L658 HydrophobicContact CD2-CD1 3.76Å; L131-L658 HydrophobicContact CD2-CD2 3.58Å; L131-L658 HydrophobicContact CD2-CG 4.25Å; L131-L658 HydrophobicContact CG-CD1 4.09Å; A639-L658 CarbonylContact C-O 3.59Å; A639-L658 VanDerWaalsContact CA-O 3.3Å; A639-L658 WeakPolarHBondContact CA-O 3.36Å; K640-L658 PolarHBondContact N-O 3.36Å; K640-L658 PolarHBondContact O-N 2.7Å; L658-H687 WeakPolarHBondContact CA-O 3.37Å; L658-Q688 HydrophobicContact CD2-CB 4.49Å; L658-Q688 HydrophobicContact CD2-CG 3.52Å; L658-Q688 HydrophobicContact CG-CG 4.38Å
659W94.3Very high87.8Confident30 Ų3038.9 Ų38.911%0.11422%0.216CC..EExtended strand (participates in β ladder)trans-80.5135.6-169.6-71.5110.4000114.1L626 Y637 A639 L657 Y661 S685 H687 D689L626-W659 HydrophobicContact CD1-CH2 4.34Å; L626-W659 HydrophobicContact CD1-CZ3 4.02Å; L626-W659 HydrophobicContact CD2-CH2 4.07Å; Y637-W659 VanDerWaalsContact CB-CZ3 3.43Å; Y637-W659 HydrophobicContact CG-CZ3 4.17Å; A639-W659 HydrophobicContact CB-CD2 4.44Å; A639-W659 HydrophobicContact CB-CE3 3.75Å; A639-W659 HydrophobicContact CB-CZ3 3.89Å; L657-W659 HydrophobicContact CD1-CH2 4.47Å; L657-W659 HydrophobicContact CD1-CZ2 4.49Å; W659-Y661 HydrophobicContact CB-CD2 4.49Å; W659-Y661 HydrophobicContact CB-CE2 3.99Å; W659-S685 WeakPolarHBondContact O-CB 3.44Å; W659-S685 PolarHBondContact O-N 3.02Å; W659-S685 VanDerWaalsContact O-N 3.12Å; W659-H687 HydrophobicContact CB-CB 4.33Å; W659-H687 AromaticContact CD1-CE1 3.55Å; W659-H687 AromaticContact CD1-CG 3.62Å; W659-H687 AromaticContact CD1-ND1 3.29Å; W659-H687 VanDerWaalsContact CD1-ND1 3.29Å; W659-H687 AromaticContact CG-ND1 3.98Å; W659-H687 PolarHBondContact N-O 2.86Å; W659-H687 VanDerWaalsContact N-O 3.11Å; W659-H687 AromaticContact NE1-CE1 3.88Å; W659-D689 VanDerWaalsContact CZ2-OD2 3.3Å; W659-D689 WeakPolarHBondContact CZ2-OD2 3.42Å; W659-D689 PolarHBondContact NE1-OD2 3.04Å; W659-D689 VanDerWaalsContact NE1-OD2 3.16Å
660Y93.4Very high86.7Confident4 Ų434.7 Ų34.72%0.01619%0.192CC..EExtended strand (participates in β ladder)trans-100.4130.5159.1-67.2-84.5000109.6N128 T623 V638 K640 V682 F683 A684 V702 C756N128-Y660 PolarHBondContact OD1-OH 2.72Å; T623-Y660 HydrophobicContact CG2-CD2 4.41Å; T623-Y660 HydrophobicContact CG2-CE2 3.69Å; V638-Y660 HydrophobicContact CG1-CD2 4.04Å; V638-Y660 HydrophobicContact CG1-CG 4.35Å; V638-Y660 PolarHBondContact O-N 3.11Å; V638-Y660 VanDerWaalsContact O-O 3.14Å; K640-Y660 HydrophobicContact CB-CE2 3.96Å; K640-Y660 HydrophobicContact CD-CE2 4.35Å; Y660-V682 HydrophobicContact CD1-CG2 4.04Å; Y660-V682 HydrophobicContact CG-CG2 4.4Å; Y660-F683 WeakPolarHBondContact CA-O 3.21Å; Y660-A684 VanDerWaalsContact CD1-CA 3.49Å; Y660-A684 HydrophobicContact CD1-CB 3.85Å; Y660-A684 HydrophobicContact CE1-CB 3.53Å; Y660-V702 HydrophobicContact CD1-CG1 4.08Å; Y660-V702 HydrophobicContact CD2-CG2 4.03Å; Y660-V702 HydrophobicContact CE1-CB 4.43Å; Y660-V702 HydrophobicContact CE1-CG1 3.66Å; Y660-V702 HydrophobicContact CE2-CB 4.2Å; Y660-V702 HydrophobicContact CE2-CG1 4.28Å; Y660-V702 HydrophobicContact CE2-CG2 3.93Å; Y660-V702 HydrophobicContact CG-CG2 4.41Å; Y660-C756 HydrophobicContact CE1-CB 4.34Å
661Y91.8Very high85.2Confident42 Ų4235.4 Ų35.417%0.16520%0.197CC..EExtended strand (participates in β ladder)trans-91.9136.4174.8-72.1-104.7000109.3W659 H665 V682 F683 H687 Y760 F762W659-Y661 HydrophobicContact CB-CD2 4.49Å; W659-Y661 HydrophobicContact CB-CE2 3.99Å; Y661-H665 HydrophobicContact CD1-CB 3.85Å; Y661-V682 CarbonylContact O-C 3.55Å; Y661-V682 WeakPolarHBondContact O-CA 3.12Å; Y661-F683 PolarHBondContact N-O 3.45Å; Y661-F683 WeakPolarHBondContact O-CD2 3.45Å; Y661-F683 PolarHBondContact O-N 2.93Å; Y661-H687 AromaticContact CZ-ND1 3.94Å; Y661-H687 PolarHBondContact OH-ND1 3.12Å; Y661-Y760 AromaticContact CD1-CD1 3.95Å; Y661-Y760 HydrophobicContact CD1-CD1 3.95Å; Y661-Y760 AromaticContact CD1-CE1 3.72Å; Y661-Y760 HydrophobicContact CD1-CE1 3.72Å; Y661-Y760 AromaticContact CD2-CD1 3.62Å; Y661-Y760 HydrophobicContact CD2-CD1 3.62Å; Y661-Y760 HydrophobicContact CD2-CE1 4.18Å; Y661-Y760 HydrophobicContact CE1-CD1 4.29Å; Y661-Y760 AromaticContact CE1-CE1 3.87Å; Y661-Y760 HydrophobicContact CE1-CE1 3.87Å; Y661-Y760 AromaticContact CE2-CD1 3.98Å; Y661-Y760 HydrophobicContact CE2-CD1 3.98Å; Y661-Y760 HydrophobicContact CE2-CE1 4.31Å; Y661-Y760 AromaticContact CG-CD1 3.61Å; Y661-Y760 HydrophobicContact CG-CD1 3.61Å; Y661-Y760 AromaticContact CG-CE1 3.9Å; Y661-Y760 HydrophobicContact CG-CE1 3.9Å; Y661-F762 HydrophobicContact CE2-CB 4.27Å
662R90.1Very high83.6Confident24 Ų2439.3 Ų39.39%0.09122%0.219CC..PPolyproline II helixtrans-88.3159.8166.7-57.7178.5173.1-107.53.1109.4T635 P636 V638 E664 H665 V682 F754T635-R662 VanDerWaalsContact CG2-CD 3.47Å; P636-R662 PolarHBondContact O-NE 3.41Å; V638-R662 HydrophobicContact CG2-CG 4.39Å; R662-E664 WeakPolarHBondContact CB-OE2 3.27Å; R662-E664 PolarHBondContact O-N 2.93Å; R662-E664 VanDerWaalsContact O-N 3.11Å; R662-H665 WeakPolarHBondContact O-CB 3Å; R662-H665 PolarHBondContact O-N 3.36Å; R662-V682 HydrophobicContact CG-CG1 4.24Å; R662-F754 VanDerWaalsContact NH2-CZ 3.32Å
663P86.7Confident81.8Confident1 Ų142.3 Ų42.31%0.00625%0.245CC..G310 helixtrans-48.7-34.6176.8-31.734.7000115.6H665 L666 G669 R670 H675 E681 F683P663-H665 PolarHBondContact O-N 2.87Å; P663-L666 PolarHBondContact O-N 2.99Å; P663-G669 CarbonylContact O-C 3.49Å; P663-G669 WeakPolarHBondContact O-CA 3.3Å; P663-R670 HydrophobicContact CB-CG 3.55Å; P663-H675 HydrophobicContact CB-CB 4.28Å; P663-H675 HydrophobicContact CG-CB 4.05Å; P663-E681 WeakPolarHBondContact CD-O 3.22Å; P663-F683 HydrophobicContact CG-CE2 4.08Å
664E85.5Confident80Confident69 Ų6947 Ų4732%0.32227%0.269SS..G310 helixtrans-68.8-20.5178.2-51.281.1179.900112.9R662 R670R662-E664 WeakPolarHBondContact CB-OE2 3.27Å; R662-E664 PolarHBondContact O-N 2.93Å; R662-E664 VanDerWaalsContact O-N 3.11Å; E664-R670 HydrophobicContact CG-CG 4.42Å; E664-R670 IonicContact OE1-CZ 2.73Å; E664-R670 IonicContact OE1-NE 2.72Å; E664-R670 PolarHBondContact OE1-NE 3.26Å; E664-R670 IonicContact OE1-NH2 2.91Å; E664-R670 PolarHBondContact OE1-NH2 3.14Å
665H85Confident78.3Confident45 Ų4546 Ų4621%0.20826%0.264CS..G310 helixtrans-94.1-1-178.4-52.7170.1000112.4Y637 Y661 R662 P663Y637-H665 AromaticContact CD1-CE1 3.42Å; Y637-H665 VanDerWaalsContact CD1-CE1 3.42Å; Y637-H665 WeakPolarHBondContact CD1-CE1 3.41Å; Y637-H665 AromaticContact CD1-ND1 3.68Å; Y637-H665 AromaticContact CE1-CE1 3.62Å; Y637-H665 AromaticContact CE1-ND1 3.8Å; Y661-H665 HydrophobicContact CD1-CB 3.85Å; R662-H665 WeakPolarHBondContact O-CB 3Å; R662-H665 PolarHBondContact O-N 3.36Å; P663-H665 PolarHBondContact O-N 2.87Å
666L84.6Confident76.1Confident19 Ų1951.7 Ų51.710%0.09929%0.29CS..SBendtrans-87.2149.2-179.1-55.7-176.2000111.8P663 G668 G669 F683 Y760 I767P663-L666 PolarHBondContact O-N 2.99Å; L666-G668 PolarHBondContact O-N 2.71Å; L666-G669 PolarHBondContact O-N 3.3Å; L666-F683 HydrophobicContact CD1-CD2 4.02Å; L666-F683 HydrophobicContact CD1-CE1 4.46Å; L666-F683 HydrophobicContact CD1-CE2 3.93Å; L666-F683 HydrophobicContact CD1-CG 4.39Å; L666-F683 HydrophobicContact CD1-CZ 4.19Å; L666-F683 HydrophobicContact CD2-CD2 4.47Å; L666-Y760 HydrophobicContact CD2-CD1 4.17Å; L666-Y760 HydrophobicContact CD2-CD2 3.67Å; L666-Y760 HydrophobicContact CD2-CE1 4.18Å; L666-Y760 HydrophobicContact CD2-CE2 3.68Å; L666-Y760 HydrophobicContact CD2-CG 3.91Å; L666-I767 HydrophobicContact CD1-CD1 4.16Å
667Q69.4Low74.1Confident149 Ų14956 Ų5670%0.69632%0.318SS*.THydrogen-bonded Turntrans-69.598171.1-66.1179.91.600109.3
668G67.9Low72.7Confident80 Ų8057.8 Ų57.883%0.82533%0.327SS*.THydrogen-bonded Turntrans125.9-16.9-170.300000114.1L666L666-G668 PolarHBondContact O-N 2.71Å
669G67.7Low71.5Confident26 Ų2663.3 Ų63.327%0.26835%0.353SS..  trans66.7-163.1176.300000115.2P663 L666 S671P663-G669 CarbonylContact O-C 3.49Å; P663-G669 WeakPolarHBondContact O-CA 3.3Å; L666-G669 PolarHBondContact O-N 3.3Å; G669-S671 PolarHBondContact O-N 2.69Å
670R64.8Low71.1Confident97 Ų9763.4 Ų63.437%0.36636%0.355SS..  trans-6796.7173-84.5-172.4-178.4-125-3.1110.5P663 E664 P672 Q679P663-R670 HydrophobicContact CB-CG 3.55Å; E664-R670 HydrophobicContact CG-CG 4.42Å; E664-R670 IonicContact OE1-CZ 2.73Å; E664-R670 IonicContact OE1-NE 2.72Å; E664-R670 PolarHBondContact OE1-NE 3.26Å; E664-R670 IonicContact OE1-NH2 2.91Å; E664-R670 PolarHBondContact OE1-NH2 3.14Å; R670-P672 WeakPolarHBondContact O-CD 3.42Å; R670-Q679 PolarHBondContact NH2-O 3.23Å; R670-Q679 VanDerWaalsContact NH2-O 3.11Å
671S57.9Low70.9Confident44 Ų4463.3 Ų63.331%0.30836%0.355SS..  trans-67.7119.3160.966.30000110.2G669 S673 M674 H675G669-S671 PolarHBondContact O-N 2.69Å; S671-S673 VanDerWaalsContact C-N 3.32Å; S671-S673 PolarHBondContact O-N 2.81Å; S671-M674 PolarHBondContact O-N 3.11Å; S671-M674 WeakPolarHBondContact OG-CB 3.37Å; S671-H675 PolarHBondContact O-CD2 3.23Å; S671-H675 PolarHBondContact O-N 3.2Å; S671-H675 PolarHBondContact OG-CD2 3.27Å; S671-H675 PolarHBondContact OG-NE2 3.32Å
672P55.3Low70.9Confident100 Ų10061.3 Ų61.365%0.64935%0.347SS*.Hα-helixtrans-62.8-36.1-172.4-26.335.9000113.6R670 M674 E676R670-P672 WeakPolarHBondContact O-CD 3.42Å; P672-M674 PolarHBondContact O-N 3.37Å; P672-E676 WeakPolarHBondContact O-CB 3.18Å; P672-E676 PolarHBondContact O-N 3.36Å
673S54.9Low70.9Confident110 Ų11060.2 Ų60.277%0.76934%0.343SS*.Hα-helixtrans-68.7-13-178.750.90000115S671S671-S673 VanDerWaalsContact C-N 3.32Å; S671-S673 PolarHBondContact O-N 2.81Å
674M55.8Low71.2Confident111 Ų11160.1 Ų60.155%0.54734%0.343SS..Hα-helixtrans-113.6-37.3-178.2-67.6-74.1-68.900113.8S671 P672S671-M674 PolarHBondContact O-N 3.11Å; S671-M674 WeakPolarHBondContact OG-CB 3.37Å; P672-M674 PolarHBondContact O-N 3.37Å
675H58.8Low71.4Confident8 Ų856.9 Ų56.94%0.03733%0.328CS..Hα-helixtrans-117.3-12.3-168.3-43.6-68000115.1P663 S671 L678 E681 F683P663-H675 HydrophobicContact CB-CB 4.28Å; P663-H675 HydrophobicContact CG-CB 4.05Å; S671-H675 PolarHBondContact O-CD2 3.23Å; S671-H675 PolarHBondContact O-N 3.2Å; S671-H675 PolarHBondContact OG-CD2 3.27Å; S671-H675 PolarHBondContact OG-NE2 3.32Å; H675-L678 CarbonylContact O-C 3.56Å; H675-L678 VanDerWaalsContact O-C 3.29Å; H675-L678 PolarHBondContact O-N 2.93Å; H675-L678 VanDerWaalsContact O-N 3.17Å; H675-E681 IonicContact CE1-OE2 2.71Å; H675-E681 IonicContact ND1-OE2 3.79Å; H675-E681 PolarHBondContact ND1-OE2 2.73Å; H675-E681 VanDerWaalsContact ND1-OE2 3.11Å; H675-F683 AromaticContact CE1-CZ 3.63Å; H675-F683 AromaticContact ND1-CZ 3.94Å
676E49.4Very low71.6Confident119 Ų11960.5 Ų60.556%0.55634%0.34SS*.THydrogen-bonded Turntrans-57-47.8176.5-160.1-72.2149.700112.4P672 L678P672-E676 WeakPolarHBondContact O-CB 3.18Å; P672-E676 PolarHBondContact O-N 3.36Å; E676-L678 PolarHBondContact O-N 3.49Å; E676-L678 VanDerWaalsContact O-N 3.1Å
677P53.6Low71.9Confident93 Ų9361.6 Ų61.660%0.60434%0.344SS*.THydrogen-bonded Turntrans-71.7-2.3177.626.1-34.7000115.4
678L65.2Low73Confident38 Ų3858.4 Ų58.420%0.19933%0.329CS..  trans-141.773.9179.5-69.998.7000111.2H675 E676 N680 E681 L755H675-L678 CarbonylContact O-C 3.56Å; H675-L678 VanDerWaalsContact O-C 3.29Å; H675-L678 PolarHBondContact O-N 2.93Å; H675-L678 VanDerWaalsContact O-N 3.17Å; E676-L678 PolarHBondContact O-N 3.49Å; E676-L678 VanDerWaalsContact O-N 3.1Å; L678-N680 PolarHBondContact O-N 2.88Å; L678-E681 HydrophobicContact CB-CB 4.26Å; L678-E681 PolarHBondContact O-N 3.05Å; L678-L755 HydrophobicContact CD2-CD2 3.26Å
679Q69.1Low74.1Confident121 Ų12156.5 Ų56.557%0.56530%0.3SS*.THydrogen-bonded Turntrans-58.3-22.3-176.6-54.8-171.314.300114.5R670R670-Q679 PolarHBondContact NH2-O 3.23Å; R670-Q679 VanDerWaalsContact NH2-O 3.11Å
680N85.8Confident75.4Confident31 Ų3156.9 Ų56.917%0.16630%0.295CS..THydrogen-bonded Turntrans-101.215.9179.9-60.114.7000113.5L678 P750 V753 F754 L755L678-N680 PolarHBondContact O-N 2.88Å; N680-P750 PolarHBondContact ND2-O 2.73Å; N680-V753 PolarHBondContact ND2-O 2.84Å; N680-F754 HydrophobicContact CB-CD1 3.98Å; N680-F754 HydrophobicContact CB-CE1 4.45Å; N680-F754 WeakPolarHBondContact O-CA 3.42Å; N680-L755 PolarHBondContact O-N 2.9Å
681E89.3Confident76.8Confident3 Ų354.1 Ų54.11%0.01429%0.287CS..EExtended strand (participates in β ladder)trans-68.9137.1173.6-168.2172.6-122.300111.1P663 H675 L678 F683 L755 R757 H758P663-E681 WeakPolarHBondContact CD-O 3.22Å; H675-E681 IonicContact CE1-OE2 2.71Å; H675-E681 IonicContact ND1-OE2 3.79Å; H675-E681 PolarHBondContact ND1-OE2 2.73Å; H675-E681 VanDerWaalsContact ND1-OE2 3.11Å; L678-E681 HydrophobicContact CB-CB 4.26Å; L678-E681 PolarHBondContact O-N 3.05Å; E681-F683 HydrophobicContact CG-CE2 4.2Å; E681-F683 HydrophobicContact CG-CZ 4.19Å; E681-F683 WeakPolarHBondContact OE2-CZ 3.41Å; E681-L755 CarbonylContact C-O 3.46Å; E681-L755 WeakPolarHBondContact CA-O 3.48Å; E681-R757 IonicContact OE1-CZ 3.89Å; E681-R757 IonicContact OE1-NH1 2.71Å; E681-R757 PolarHBondContact OE1-NH1 2.7Å; E681-H758 IonicContact OE1-CE1 3.93Å; E681-H758 PolarHBondContact OE1-CE1 3.44Å; E681-H758 IonicContact OE1-ND1 3.99Å; E681-H758 PolarHBondContact OE1-ND1 3.47Å; E681-H758 IonicContact OE2-CE1 2.72Å; E681-H758 IonicContact OE2-ND1 2.73Å
682V91.7Very high78.5Confident0 Ų052.9 Ų52.90%028%0.278CS..EExtended strand (participates in β ladder)trans-134.5158.1175.1-60.90000111.8Y660 Y661 R662 V702 F754 L755 C756Y660-V682 HydrophobicContact CD1-CG2 4.04Å; Y660-V682 HydrophobicContact CG-CG2 4.4Å; Y661-V682 CarbonylContact O-C 3.55Å; Y661-V682 WeakPolarHBondContact O-CA 3.12Å; R662-V682 HydrophobicContact CG-CG1 4.24Å; V682-V702 HydrophobicContact CG2-CG1 3.68Å; V682-V702 HydrophobicContact CG2-CG2 4.35Å; V682-F754 HydrophobicContact CG1-CB 3.99Å; V682-F754 HydrophobicContact CG1-CD1 3.92Å; V682-F754 HydrophobicContact CG1-CG 4.07Å; V682-F754 HydrophobicContact CG2-CB 3.93Å; V682-L755 PolarHBondContact N-O 3.08Å; V682-C756 HydrophobicContact CG2-CB 4.09Å; V682-C756 WeakPolarHBondContact O-CA 3.32Å
683F90.7Very high80.4Confident0 Ų048.1 Ų48.10%025%0.248CC..EExtended strand (participates in β ladder)trans-119.9114.6-172.7-60.1-100.3000109.5Y660 Y661 P663 L666 H675 E681 H758 I767Y660-F683 WeakPolarHBondContact CA-O 3.21Å; Y661-F683 PolarHBondContact N-O 3.45Å; Y661-F683 WeakPolarHBondContact O-CD2 3.45Å; Y661-F683 PolarHBondContact O-N 2.93Å; P663-F683 HydrophobicContact CG-CE2 4.08Å; L666-F683 HydrophobicContact CD1-CD2 4.02Å; L666-F683 HydrophobicContact CD1-CE1 4.46Å; L666-F683 HydrophobicContact CD1-CE2 3.93Å; L666-F683 HydrophobicContact CD1-CG 4.39Å; L666-F683 HydrophobicContact CD1-CZ 4.19Å; L666-F683 HydrophobicContact CD2-CD2 4.47Å; H675-F683 AromaticContact CE1-CZ 3.63Å; H675-F683 AromaticContact ND1-CZ 3.94Å; E681-F683 HydrophobicContact CG-CE2 4.2Å; E681-F683 HydrophobicContact CG-CZ 4.19Å; E681-F683 WeakPolarHBondContact OE2-CZ 3.41Å; F683-H758 HydrophobicContact CD1-CB 3.6Å; F683-H758 HydrophobicContact CE1-CB 3.72Å; F683-H758 AromaticContact CE1-CG 3.85Å; F683-H758 AromaticContact CE1-ND1 3.36Å; F683-H758 WeakPolarHBondContact CE1-ND1 3.2Å; F683-H758 AromaticContact CZ-ND1 3.91Å; F683-I767 HydrophobicContact CD1-CD1 4.01Å; F683-I767 HydrophobicContact CD1-CG1 3.91Å; F683-I767 HydrophobicContact CD1-CG2 4.32Å; F683-I767 HydrophobicContact CE1-CD1 3.53Å; F683-I767 HydrophobicContact CE1-CG1 3.96Å; F683-I767 HydrophobicContact CE1-CG2 4.36Å; F683-I767 HydrophobicContact CZ-CD1 4.27Å
684A92.1Very high82.3Confident0 Ų043.9 Ų43.90%022%0.22CC..EExtended strand (participates in β ladder)trans-69142179.800000110.9L127 Y660 H758 V759 Y760L127-A684 HydrophobicContact CD2-CB 3.54Å; Y660-A684 VanDerWaalsContact CD1-CA 3.49Å; Y660-A684 HydrophobicContact CD1-CB 3.85Å; Y660-A684 HydrophobicContact CE1-CB 3.53Å; A684-H758 PolarHBondContact N-O 3.13Å; A684-H758 VanDerWaalsContact N-O 3.14Å; A684-V759 CarbonylContact O-C 3.57Å; A684-V759 VanDerWaalsContact O-CA 3.28Å; A684-V759 WeakPolarHBondContact O-CA 3.45Å; A684-V759 WeakPolarHBondContact O-CG1 3.4Å; A684-Y760 PolarHBondContact O-N 2.9Å
685S90.9Very high84.1Confident1 Ų140.5 Ų40.51%0.00721%0.206CC..EExtended strand (participates in β ladder)trans-130.1153.7178.4-1590000112.4W659 H687 Y760W659-S685 WeakPolarHBondContact O-CB 3.44Å; W659-S685 PolarHBondContact O-N 3.02Å; W659-S685 VanDerWaalsContact O-N 3.12Å; S685-H687 PolarHBondContact O-N 3.35Å; S685-Y760 WeakPolarHBondContact CB-O 3.11Å; S685-Y760 PolarHBondContact OG-O 3.15Å
686R89.4Confident85.8Confident121 Ų12140.1 Ų40.146%0.45720%0.204SC..EExtended strand (participates in β ladder)trans-80.714.9168.7-63.9-179.8175.9153.40.2111.8L127 Q688 Q772L127-R686 HydrophobicContact CD1-CG 3.85Å; L127-R686 HydrophobicContact CD2-CG 4.5Å; R686-Q688 PolarHBondContact O-N 3.11Å; R686-Q772 PolarHBondContact NH1-O 3.24Å; R686-Q772 PolarHBondContact NH2-O 3.25Å
687H91Very high87.8Confident41 Ų4137.7 Ų37.719%0.1919%0.193CC..EExtended strand (participates in β ladder)trans-77.3104.6177.2-174.8-167.2000110.3L658 W659 Y661 S685 F762L658-H687 WeakPolarHBondContact CA-O 3.37Å; W659-H687 HydrophobicContact CB-CB 4.33Å; W659-H687 AromaticContact CD1-CE1 3.55Å; W659-H687 AromaticContact CD1-CG 3.62Å; W659-H687 AromaticContact CD1-ND1 3.29Å; W659-H687 VanDerWaalsContact CD1-ND1 3.29Å; W659-H687 AromaticContact CG-ND1 3.98Å; W659-H687 PolarHBondContact N-O 2.86Å; W659-H687 VanDerWaalsContact N-O 3.11Å; W659-H687 AromaticContact NE1-CE1 3.88Å; Y661-H687 AromaticContact CZ-ND1 3.94Å; Y661-H687 PolarHBondContact OH-ND1 3.12Å; S685-H687 PolarHBondContact O-N 3.35Å; H687-F762 HydrophobicContact CB-CD1 3.63Å; H687-F762 HydrophobicContact CB-CD2 4.2Å; H687-F762 HydrophobicContact CB-CE1 3.68Å; H687-F762 HydrophobicContact CB-CE2 4.25Å; H687-F762 HydrophobicContact CB-CG 3.89Å; H687-F762 HydrophobicContact CB-CZ 3.99Å; H687-F762 AromaticContact CD2-CE2 3.87Å; H687-F762 AromaticContact CD2-CZ 3.98Å; H687-F762 AromaticContact CG-CD2 3.99Å; H687-F762 AromaticContact CG-CE2 3.93Å
688Q91.4Very high89.7Confident83 Ų8337.6 Ų37.639%0.38819%0.185SC..EExtended strand (participates in β ladder)trans-85.6144.2170.9-71176.6-27.600111.1L657 L658 R686L657-Q688 WeakPolarHBondContact O-CA 3.26Å; L658-Q688 HydrophobicContact CD2-CB 4.49Å; L658-Q688 HydrophobicContact CD2-CG 3.52Å; L658-Q688 HydrophobicContact CG-CG 4.38Å; R686-Q688 PolarHBondContact O-N 3.11Å
689D92.2Very high91.1Very high40 Ų4037.3 Ų37.321%0.21418%0.182CC..EExtended strand (participates in β ladder)trans-154.8172.1179-173.224.7000111.4L657 W659 N691L657-D689 PolarHBondContact N-O 3.29Å; L657-D689 PolarHBondContact O-N 3.21Å; L657-D689 VanDerWaalsContact O-N 3.11Å; W659-D689 VanDerWaalsContact CZ2-OD2 3.3Å; W659-D689 WeakPolarHBondContact CZ2-OD2 3.42Å; W659-D689 PolarHBondContact NE1-OD2 3.04Å; W659-D689 VanDerWaalsContact NE1-OD2 3.16Å; D689-N691 PolarHBondContact OD2-ND2 2.74Å
690Q93.8Very high92.3Very high34 Ų3431.5 Ų31.516%0.15916%0.155CC..EExtended strand (participates in β ladder)trans-131.7130.6178.4-57.1-155-5300112.7Y595 L597 W645 M655 S656Y595-Q690 PolarHBondContact O-NE2 2.72Å; L597-Q690 HydrophobicContact CB-CG 4.44Å; W645-Q690 VanDerWaalsContact CZ2-CD 3.45Å; M655-Q690 WeakPolarHBondContact O-CA 3.07Å; S656-Q690 PolarHBondContact OG-NE2 2.93Å
691N94.3Very high92.6Very high39 Ų3931.1 Ų31.121%0.20915%0.151CC..EExtended strand (participates in β ladder)trans-136.2156.1178.9-83.7-95.1000111.4L626 M654 M655 L657 D689L626-N691 HydrophobicContact CD2-CB 4.29Å; M654-N691 WeakPolarHBondContact CA-O 3.28Å; M654-N691 VanDerWaalsContact CE-C 3.49Å; M655-N691 HydrophobicContact CE-CB 3.93Å; M655-N691 HydrophobicContact CG-CB 4.41Å; M655-N691 VanDerWaalsContact CG-O 3.3Å; M655-N691 WeakPolarHBondContact CG-O 3.36Å; M655-N691 PolarHBondContact N-O 3.11Å; M655-N691 PolarHBondContact O-N 2.86Å; L657-N691 HydrophobicContact CD1-CB 3.94Å; D689-N691 PolarHBondContact OD2-ND2 2.74Å
692S94.5Very high92.8Very high17 Ų1731.8 Ų31.812%0.11916%0.155CC..EExtended strand (participates in β ladder)trans-70.1140.5168.5177.80000109.4E652 M655 A694 C695E652-S692 WeakPolarHBondContact OE1-CB 3.33Å; E652-S692 PolarHBondContact OE1-OG 2.92Å; M655-S692 WeakPolarHBondContact CE-O 3.46Å; S692-A694 PolarHBondContact O-N 3.1Å; S692-A694 WeakPolarHBondContact OG-CB 3.3Å; S692-A694 PolarHBondContact OG-N 2.86Å; S692-C695 WeakPolarHBondContact O-CB 3.26Å; S692-C695 PolarHBondContact O-N 2.95Å
693V95.4Very high92.7Very high0 Ų032 Ų320%016%0.157CC..G310 helixtrans-59.6-18.6176.3-58.60000112.3T580 W583 V611 L644 L653 M655 C695 I696T580-V693 HydrophobicContact CG2-CG2 4.2Å; W583-V693 HydrophobicContact CB-CB 4.46Å; W583-V693 HydrophobicContact CB-CG2 3.79Å; W583-V693 HydrophobicContact CG-CB 4.48Å; W583-V693 HydrophobicContact CG-CG2 4.26Å; W583-V693 PolarHBondContact NE1-O 2.94Å; V611-V693 HydrophobicContact CG1-CG1 4.5Å; L644-V693 HydrophobicContact CD2-CG1 3.99Å; L653-V693 HydrophobicContact CB-CG2 3.96Å; L653-V693 HydrophobicContact CD2-CG2 4.11Å; L653-V693 HydrophobicContact CG-CG1 4.03Å; L653-V693 HydrophobicContact CG-CG2 3.91Å; L653-V693 WeakPolarHBondContact O-CG2 3.15Å; L653-V693 PolarHBondContact O-N 3.39Å; L653-V693 VanDerWaalsContact O-N 3.09Å; M655-V693 HydrophobicContact CB-CG1 4.27Å; M655-V693 HydrophobicContact CG-CG1 4.32Å; V693-C695 PolarHBondContact O-N 3.12Å; V693-C695 VanDerWaalsContact O-N 3.12Å; V693-I696 HydrophobicContact CB-CD1 4.1Å; V693-I696 WeakPolarHBondContact O-CG1 3.33Å; V693-I696 PolarHBondContact O-N 2.85Å; V693-I696 VanDerWaalsContact O-N 3.11Å
694A93.6Very high92.5Very high22 Ų2232.5 Ų32.518%0.18216%0.159CC..G310 helixtrans-53.5-27.3170.700000114.3R579 N581 S692 I696R579-A694 WeakPolarHBondContact O-CB 3.37Å; N581-A694 HydrophobicContact CB-CB 4.15Å; N581-A694 WeakPolarHBondContact CB-O 3.31Å; S692-A694 PolarHBondContact O-N 3.1Å; S692-A694 WeakPolarHBondContact OG-CB 3.3Å; S692-A694 PolarHBondContact OG-N 2.86Å; A694-I696 VanDerWaalsContact C-N 3.32Å
695C93.1Very high92.1Very high39 Ų3936.1 Ų36.126%0.26418%0.175SC..G310 helixtrans-76.2-15.2-179.2-62.50000114L626 K627 M655 S692 V693 E697L626-C695 WeakPolarHBondContact CA-O 3.47Å; L626-C695 HydrophobicContact CD2-CB 4.17Å; K627-C695 PolarHBondContact N-O 2.94Å; M655-C695 HydrophobicContact CE-CB 4.32Å; S692-C695 WeakPolarHBondContact O-CB 3.26Å; S692-C695 PolarHBondContact O-N 2.95Å; V693-C695 PolarHBondContact O-N 3.12Å; V693-C695 VanDerWaalsContact O-N 3.12Å; C695-E697 PolarHBondContact O-N 2.94Å
696I94.5Very high91.8Very high0 Ų039.2 Ų39.20%020%0.201CC..EExtended strand (participates in β ladder)trans-66.9126.6179.9-55.6168.5000109.6W583 R613 I618 V624 M655 V693 A694W583-I696 HydrophobicContact CZ2-CB 4.09Å; W583-I696 HydrophobicContact CZ2-CD1 4.48Å; W583-I696 HydrophobicContact CZ2-CG2 3.7Å; R613-I696 PolarHBondContact NH1-O 2.83Å; I618-I696 HydrophobicContact CD1-CG2 3.79Å; V624-I696 HydrophobicContact CB-CG2 4.2Å; V624-I696 HydrophobicContact CG1-CG2 4.13Å; M655-I696 HydrophobicContact CE-CD1 4.18Å; M655-I696 HydrophobicContact CE-CG1 3.46Å; M655-I696 VanDerWaalsContact CE-CG1 3.46Å; M655-I696 HydrophobicContact SD-CD1 3.78Å; M655-I696 HydrophobicContact SD-CG1 3.69Å; V693-I696 HydrophobicContact CB-CD1 4.1Å; V693-I696 WeakPolarHBondContact O-CG1 3.33Å; V693-I696 PolarHBondContact O-N 2.85Å; V693-I696 VanDerWaalsContact O-N 3.11Å; A694-I696 VanDerWaalsContact C-N 3.32Å
697E92.4Very high91.7Very high69 Ų6935.2 Ų35.232%0.32219%0.188SC..EExtended strand (participates in β ladder)trans-83.9-57.3170.2-48.8-135.676.800109.6R613 L625 K627 C695R613-E697 PolarHBondContact NH1-O 2.83Å; R613-E697 PolarHBondContact NH2-O 3.48Å; L625-E697 HydrophobicContact CB-CB 4.26Å; L625-E697 PolarHBondContact O-N 3.07Å; K627-E697 HydrophobicContact CB-CG 4.48Å; K627-E697 WeakPolarHBondContact CE-OE1 3.35Å; K627-E697 HydrophobicContact CG-CG 3.63Å; K627-E697 WeakPolarHBondContact CG-OE1 3.36Å; K627-E697 IonicContact NZ-OE1 2.8Å; K627-E697 PolarHBondContact NZ-OE1 3.35Å; C695-E697 PolarHBondContact O-N 2.94Å
698E92.9Very high91.6Very high91 Ų9135.1 Ų35.143%0.42519%0.186SC..EExtended strand (participates in β ladder)trans-164.4153-164-171.4164.3-144.400110.3L625 L752L625-E698 PolarHBondContact N-O 3.11Å; E698-L752 HydrophobicContact CG-CD1 4.26Å; E698-L752 HydrophobicContact CG-CD2 4.36Å
699K94.4Very high91.5Very high31 Ų3134 Ų3414%0.13519%0.187CC..EExtended strand (participates in β ladder)trans-72139.8170.1-176.9168.9175.4163.70111.5E616 I618 D622 Y701E616-K699 WeakPolarHBondContact OE1-CB 3.12Å; E616-K699 PolarHBondContact OE1-N 3.29Å; I618-K699 HydrophobicContact CD1-CB 4.05Å; I618-K699 HydrophobicContact CG1-CB 4.12Å; I618-K699 HydrophobicContact CG1-CD 4.42Å; D622-K699 VanDerWaalsContact CG-CE 3.42Å; D622-K699 WeakPolarHBondContact OD1-CE 3.17Å; D622-K699 IonicContact OD1-NZ 2.75Å; D622-K699 PolarHBondContact OD1-NZ 2.88Å; D622-K699 WeakPolarHBondContact OD2-CE 3.36Å; D622-K699 IonicContact OD2-NZ 2.7Å; D622-K699 PolarHBondContact OD2-NZ 3.41Å; K699-Y701 WeakPolarHBondContact CE-OH 3.37Å
700C94.3Very high91.3Very high0 Ų040.9 Ų40.90%021%0.21CC..EExtended strand (participates in β ladder)trans-138.1174.7174.269.60000111.2T623 V624 L625 L752 F754T623-C700 CarbonylContact C-O 3.52Å; T623-C700 WeakPolarHBondContact CB-O 3.35Å; T623-C700 PolarHBondContact O-N 2.95Å; T623-C700 PolarHBondContact OG1-O 2.88Å; V624-C700 VanDerWaalsContact C-SG 3.5Å; L625-C700 HydrophobicContact CD2-CB 4.31Å; L625-C700 HydrophobicContact CG-CB 4.06Å; C700-L752 HydrophobicContact CB-CB 4.36Å; C700-L752 WeakPolarHBondContact CB-O 3.42Å; C700-F754 HydrophobicContact CB-CD2 4.29Å; C700-F754 HydrophobicContact CB-CE2 3.87Å
701Y93.4Very high91.1Very high23 Ų2340.9 Ų40.99%0.0921%0.209CC..EExtended strand (participates in β ladder)trans-127.9123.5-173.9-59.1-88.7000111T623 K699 V744 P745 T748 L752 F754T623-Y701 WeakPolarHBondContact OG1-CA 3.45Å; K699-Y701 WeakPolarHBondContact CE-OH 3.37Å; Y701-V744 HydrophobicContact CD1-CB 4.47Å; Y701-V744 HydrophobicContact CD1-CG2 3.9Å; Y701-V744 HydrophobicContact CD2-CG1 4.05Å; Y701-V744 HydrophobicContact CD2-CG2 4.45Å; Y701-V744 HydrophobicContact CE2-CG1 4.37Å; Y701-V744 HydrophobicContact CG-CB 4.42Å; Y701-V744 HydrophobicContact CG-CG1 4.21Å; Y701-V744 HydrophobicContact CG-CG2 3.78Å; Y701-P745 VanDerWaalsContact CZ-CD 3.46Å; Y701-P745 VanDerWaalsContact OH-CD 3.24Å; Y701-P745 WeakPolarHBondContact OH-CD 3.3Å; Y701-T748 HydrophobicContact CD2-CG2 3.77Å; Y701-T748 HydrophobicContact CE2-CG2 3.66Å; Y701-L752 PolarHBondContact N-O 3.11Å; Y701-F754 PolarHBondContact O-N 2.73Å
702V92.2Very high90.9Very high16 Ų1640.9 Ų40.910%0.09721%0.212CC..EExtended strand (participates in β ladder)trans-108.6110173.9-177.40000109.9T623 V638 Y660 V682 F754 C756T623-V702 HydrophobicContact CG2-CB 4.04Å; T623-V702 HydrophobicContact CG2-CG2 3.73Å; T623-V702 PolarHBondContact OG1-N 3.23Å; V638-V702 HydrophobicContact CG1-CG2 3.79Å; Y660-V702 HydrophobicContact CD1-CG1 4.08Å; Y660-V702 HydrophobicContact CD2-CG2 4.03Å; Y660-V702 HydrophobicContact CE1-CB 4.43Å; Y660-V702 HydrophobicContact CE1-CG1 3.66Å; Y660-V702 HydrophobicContact CE2-CB 4.2Å; Y660-V702 HydrophobicContact CE2-CG1 4.28Å; Y660-V702 HydrophobicContact CE2-CG2 3.93Å; Y660-V702 HydrophobicContact CG-CG2 4.41Å; V682-V702 HydrophobicContact CG2-CG1 3.68Å; V682-V702 HydrophobicContact CG2-CG2 4.35Å; V702-F754 HydrophobicContact CG2-CB 4.13Å; V702-F754 HydrophobicContact CG2-CD2 4.46Å; V702-C756 HydrophobicContact CG1-CB 3.47Å; V702-C756 VanDerWaalsContact CG1-CB 3.47Å
703L89.6Confident90.6Very high6 Ų642.6 Ų42.63%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-102.8153-172.7-62-174.1000112.9E707 Y708 F711 V744 V753 F754 C756L703-E707 HydrophobicContact CB-CB 3.92Å; L703-E707 HydrophobicContact CD1-CB 4.22Å; L703-E707 HydrophobicContact CD2-CB 4.14Å; L703-E707 HydrophobicContact CG-CB 4.32Å; L703-Y708 HydrophobicContact CD1-CD2 4.48Å; L703-F711 HydrophobicContact CD1-CB 3.99Å; L703-F711 HydrophobicContact CD1-CG 4.48Å; L703-V744 HydrophobicContact CD1-CG2 3.97Å; L703-V744 HydrophobicContact CD2-CG2 3.89Å; L703-V744 HydrophobicContact CG-CG2 4.3Å; L703-V753 HydrophobicContact CD1-CG1 3.63Å; L703-V753 HydrophobicContact CG-CG1 4.11Å; L703-F754 PolarHBondContact N-O 3.32Å; L703-C756 PolarHBondContact O-N 3.12Å
704T86.4Confident90.2Very high9 Ų945.2 Ų45.26%0.05524%0.24CC..  trans-67.9167.7162.865.30000111.2E125 A706 E707 Y708E125-T704 HydrophobicContact CB-CG2 3.85Å; E125-T704 HydrophobicContact CG-CG2 3.82Å; T704-A706 VanDerWaalsContact C-N 3.3Å; T704-A706 PolarHBondContact O-N 2.89Å; T704-E707 VanDerWaalsContact CB-OE2 3.24Å; T704-E707 WeakPolarHBondContact CB-OE2 3.21Å; T704-E707 VanDerWaalsContact CG2-OE2 3.24Å; T704-E707 WeakPolarHBondContact CG2-OE2 3.26Å; T704-E707 PolarHBondContact N-OE2 2.99Å; T704-E707 PolarHBondContact O-N 3.36Å; T704-E707 VanDerWaalsContact OG1-CD 3.26Å; T704-E707 WeakPolarHBondContact OG1-CG 3.43Å; T704-E707 PolarHBondContact OG1-N 3.38Å; T704-E707 PolarHBondContact OG1-OE2 3.23Å; T704-Y708 VanDerWaalsContact O-CB 3.28Å; T704-Y708 WeakPolarHBondContact O-CB 3.38Å; T704-Y708 PolarHBondContact O-N 2.69Å
705F84.1Confident89.9Confident76 Ų7645.7 Ų45.733%0.33324%0.244SC..Hα-helixtrans-60-35.7177.4-173.7-120.5000113.9C709 L755 R757F705-C709 WeakPolarHBondContact O-CB 3.46Å; F705-C709 PolarHBondContact O-N 3.27Å; F705-C709 PolarHBondContact O-SG 2.77Å; F705-C709 VanDerWaalsContact O-SG 3.33Å; F705-L755 HydrophobicContact CB-CD1 4.16Å; F705-L755 HydrophobicContact CD2-CD1 4.15Å; F705-L755 HydrophobicContact CD2-CD2 4.22Å; F705-R757 HydrophobicContact CB-CG 4.07Å; F705-R757 HydrophobicContact CD2-CG 4.46Å
706A85.3Confident89.6Confident67 Ų6750.8 Ų50.855%0.55426%0.261SS*.Hα-helixtrans-72.2-43.6179.100000112T704 R710T704-A706 VanDerWaalsContact C-N 3.3Å; T704-A706 PolarHBondContact O-N 2.89Å; A706-R710 WeakPolarHBondContact O-CG 3.3Å; A706-R710 PolarHBondContact O-N 3.05Å; A706-R710 VanDerWaalsContact O-N 3.1Å
707E87.8Confident89.2Confident37 Ų3754.2 Ų54.217%0.17328%0.275CS..Hα-helixtrans-63.9-44.6175.1-68.6160.3143.200111.1L703 T704 R710 F711 R742L703-E707 HydrophobicContact CB-CB 3.92Å; L703-E707 HydrophobicContact CD1-CB 4.22Å; L703-E707 HydrophobicContact CD2-CB 4.14Å; L703-E707 HydrophobicContact CG-CB 4.32Å; T704-E707 VanDerWaalsContact CB-OE2 3.24Å; T704-E707 WeakPolarHBondContact CB-OE2 3.21Å; T704-E707 VanDerWaalsContact CG2-OE2 3.24Å; T704-E707 WeakPolarHBondContact CG2-OE2 3.26Å; T704-E707 PolarHBondContact N-OE2 2.99Å; T704-E707 PolarHBondContact O-N 3.36Å; T704-E707 VanDerWaalsContact OG1-CD 3.26Å; T704-E707 WeakPolarHBondContact OG1-CG 3.43Å; T704-E707 PolarHBondContact OG1-N 3.38Å; T704-E707 PolarHBondContact OG1-OE2 3.23Å; E707-R710 WeakPolarHBondContact O-CB 3.46Å; E707-R710 PolarHBondContact O-N 2.81Å; E707-F711 PolarHBondContact O-N 2.68Å; E707-R742 IonicContact OE1-NH1 3.53Å
708Y88.3Confident88.9Confident38 Ų3855.3 Ų55.315%0.14928%0.276CS..Hα-helixtrans-64.8-42.4178.5-170.5-98.3000112.5L703 T704 R710 F711 C712 V753 L755L703-Y708 HydrophobicContact CD1-CD2 4.48Å; T704-Y708 VanDerWaalsContact O-CB 3.28Å; T704-Y708 WeakPolarHBondContact O-CB 3.38Å; T704-Y708 PolarHBondContact O-N 2.69Å; Y708-R710 VanDerWaalsContact C-N 3.29Å; Y708-R710 PolarHBondContact O-N 2.83Å; Y708-F711 WeakPolarHBondContact O-CB 3.46Å; Y708-F711 PolarHBondContact O-N 3.44Å; Y708-C712 WeakPolarHBondContact CE1-SG 3.39Å; Y708-C712 PolarHBondContact O-N 2.79Å; Y708-C712 PolarHBondContact O-SG 2.81Å; Y708-C712 VanDerWaalsContact O-SG 3.35Å; Y708-V753 HydrophobicContact CD2-CG1 4.11Å; Y708-V753 HydrophobicContact CE2-CG1 4.19Å; Y708-L755 HydrophobicContact CD1-CB 4.06Å; Y708-L755 HydrophobicContact CD1-CD1 4.23Å; Y708-L755 HydrophobicContact CD1-CD2 4.03Å; Y708-L755 HydrophobicContact CD1-CG 4.33Å; Y708-L755 HydrophobicContact CD2-CB 3.9Å; Y708-L755 HydrophobicContact CE1-CB 4.27Å; Y708-L755 HydrophobicContact CE1-CD2 4.32Å; Y708-L755 HydrophobicContact CE2-CB 4.12Å; Y708-L755 HydrophobicContact CG-CB 3.88Å; Y708-L755 HydrophobicContact CG-CD1 3.98Å; Y708-L755 HydrophobicContact CG-CG 4.34Å
709C89.3Confident88.5Confident61 Ų6154.5 Ų54.541%0.41229%0.292SS..Hα-helixtrans-62.4-36.2173.4-75.90000112.4F705 A713F705-C709 WeakPolarHBondContact O-CB 3.46Å; F705-C709 PolarHBondContact O-N 3.27Å; F705-C709 PolarHBondContact O-SG 2.77Å; F705-C709 VanDerWaalsContact O-SG 3.33Å; C709-A713 WeakPolarHBondContact O-CB 2.99Å; C709-A713 PolarHBondContact O-N 3.12Å; C709-A713 VanDerWaalsContact O-N 3.12Å
710R89Confident88.3Confident183 Ų18359 Ų5969%0.69131%0.313SS*.Hα-helixtrans-64.7-45.4171.2-77.5172.9161.8-179.8-6.2111.5A706 E707 Y708 A713 M714A706-R710 WeakPolarHBondContact O-CG 3.3Å; A706-R710 PolarHBondContact O-N 3.05Å; A706-R710 VanDerWaalsContact O-N 3.1Å; E707-R710 WeakPolarHBondContact O-CB 3.46Å; E707-R710 PolarHBondContact O-N 2.81Å; Y708-R710 VanDerWaalsContact C-N 3.29Å; Y708-R710 PolarHBondContact O-N 2.83Å; R710-A713 PolarHBondContact O-N 2.71Å; R710-M714 WeakPolarHBondContact O-CG 3.33Å; R710-M714 PolarHBondContact O-N 2.81Å
711F89.3Confident87.7Confident34 Ų3462.1 Ų62.115%0.14935%0.346CS..Hα-helixtrans-58-52.6176.3173.4-100.5000111.6L703 E707 Y708 A713 M714 A715 V744 P750 V753L703-F711 HydrophobicContact CD1-CB 3.99Å; L703-F711 HydrophobicContact CD1-CG 4.48Å; E707-F711 PolarHBondContact O-N 2.68Å; Y708-F711 WeakPolarHBondContact O-CB 3.46Å; Y708-F711 PolarHBondContact O-N 3.44Å; F711-A713 VanDerWaalsContact C-N 3.28Å; F711-A713 PolarHBondContact O-N 2.97Å; F711-M714 PolarHBondContact O-N 2.8Å; F711-A715 WeakPolarHBondContact O-CB 3.39Å; F711-A715 PolarHBondContact O-N 3.01Å; F711-V744 HydrophobicContact CD2-CB 4.42Å; F711-V744 HydrophobicContact CD2-CG1 4.16Å; F711-V744 HydrophobicContact CE2-CG1 3.93Å; F711-P750 HydrophobicContact CE1-CB 4.32Å; F711-P750 HydrophobicContact CZ-CB 4.44Å; F711-P750 HydrophobicContact CZ-CG 4.37Å; F711-V753 HydrophobicContact CD1-CB 4.21Å; F711-V753 HydrophobicContact CD1-CG1 3.74Å; F711-V753 HydrophobicContact CD2-CG1 4.5Å; F711-V753 HydrophobicContact CE1-CB 3.78Å; F711-V753 HydrophobicContact CE1-CG1 3.85Å; F711-V753 HydrophobicContact CE1-CG2 3.9Å; F711-V753 HydrophobicContact CE2-CG2 3.95Å; F711-V753 HydrophobicContact CG-CG1 4.1Å; F711-V753 HydrophobicContact CZ-CB 4.02Å; F711-V753 HydrophobicContact CZ-CG1 4.29Å; F711-V753 HydrophobicContact CZ-CG2 3.59Å
712C89.2Confident87Confident40 Ų4065.3 Ų65.327%0.2736%0.364SS..Hα-helixtrans-59.3-37177.9-64.10000112.9Y708 M714 K716Y708-C712 WeakPolarHBondContact CE1-SG 3.39Å; Y708-C712 PolarHBondContact O-N 2.79Å; Y708-C712 PolarHBondContact O-SG 2.81Å; Y708-C712 VanDerWaalsContact O-SG 3.35Å; C712-M714 VanDerWaalsContact C-N 3.34Å; C712-K716 WeakPolarHBondContact O-CB 3.42Å; C712-K716 WeakPolarHBondContact O-CG 3.46Å; C712-K716 PolarHBondContact O-N 2.82Å
713A88.8Confident86Confident53 Ų5369.4 Ų69.444%0.43839%0.391SS..Hα-helixtrans-72-24.6176.800000113.6C709 R710 F711C709-A713 WeakPolarHBondContact O-CB 2.99Å; C709-A713 PolarHBondContact O-N 3.12Å; C709-A713 VanDerWaalsContact O-N 3.12Å; R710-A713 PolarHBondContact O-N 2.71Å; F711-A713 VanDerWaalsContact C-N 3.28Å; F711-A713 PolarHBondContact O-N 2.97Å
714M86.6Confident84.8Confident55 Ų5571.2 Ų71.227%0.27140%0.404SS..Hα-helixtrans-79.2-47169.9-69.3-69.5-70.200110.9R710 F711 C712 K716 R717 R718R710-M714 WeakPolarHBondContact O-CG 3.33Å; R710-M714 PolarHBondContact O-N 2.81Å; F711-M714 PolarHBondContact O-N 2.8Å; C712-M714 VanDerWaalsContact C-N 3.34Å; M714-K716 PolarHBondContact O-N 2.9Å; M714-R717 WeakPolarHBondContact O-CB 3.36Å; M714-R717 PolarHBondContact O-N 3.05Å; M714-R717 VanDerWaalsContact O-N 3.13Å; M714-R717 PolarHBondContact SD-NH2 3.09Å; M714-R718 PolarHBondContact O-N 3.31Å
715A87.1Confident83.8Confident32 Ų3280.6 Ų80.626%0.26444%0.439SS..Hα-helixtrans-59.5-44-179.300000112.6F711 R717 R718 G719F711-A715 WeakPolarHBondContact O-CB 3.39Å; F711-A715 PolarHBondContact O-N 3.01Å; A715-R717 PolarHBondContact O-N 2.85Å; A715-R718 PolarHBondContact O-N 3.29Å; A715-G719 PolarHBondContact O-N 3Å
716K88.1Confident82.5Confident145 Ų14586.8 Ų86.863%0.6347%0.465SS*.Hα-helixtrans-57.7-46.9172.7-75.8-173.7175.3-163.50112.2C712 M714 R718 G719 E720C712-K716 WeakPolarHBondContact O-CB 3.42Å; C712-K716 WeakPolarHBondContact O-CG 3.46Å; C712-K716 PolarHBondContact O-N 2.82Å; M714-K716 PolarHBondContact O-N 2.9Å; K716-R718 VanDerWaalsContact C-N 3.27Å; K716-R718 PolarHBondContact O-N 2.86Å; K716-G719 PolarHBondContact O-N 2.65Å; K716-E720 WeakPolarHBondContact O-CG 3.36Å; K716-E720 PolarHBondContact O-N 2.85Å
717R85.9Confident81.1Confident73 Ų7388.9 Ų88.928%0.27547%0.471SS..Hα-helixtrans-59.3-36.1177.9-121-165.8-66.3134.67.3112.9M714 A715 E720 G721 L722M714-R717 WeakPolarHBondContact O-CB 3.36Å; M714-R717 PolarHBondContact O-N 3.05Å; M714-R717 VanDerWaalsContact O-N 3.13Å; M714-R717 PolarHBondContact SD-NH2 3.09Å; A715-R717 PolarHBondContact O-N 2.85Å; R717-E720 PolarHBondContact O-N 3.16Å; R717-G721 PolarHBondContact O-N 2.86Å; R717-L722 HydrophobicContact CG-CB 3.88Å; R717-L722 HydrophobicContact CG-CD1 3.74Å; R717-L722 HydrophobicContact CG-CG 4.47Å; R717-L722 PolarHBondContact O-N 2.99Å; R717-L722 VanDerWaalsContact O-N 3.08Å
718R84.8Confident79.9Confident92 Ų9290.3 Ų90.335%0.34749%0.489SS..Hα-helixtrans-66.3-44.9173.3-62.3-177.1-154.8-66.1-6.4111.7M714 A715 K716 E720 G721 E746M714-R718 PolarHBondContact O-N 3.31Å; A715-R718 PolarHBondContact O-N 3.29Å; K716-R718 VanDerWaalsContact C-N 3.27Å; K716-R718 PolarHBondContact O-N 2.86Å; R718-E720 VanDerWaalsContact C-N 3.25Å; R718-E720 PolarHBondContact O-N 3.17Å; R718-G721 PolarHBondContact O-N 3.06Å; R718-E746 VanDerWaalsContact CZ-CD 3.46Å; R718-E746 IonicContact CZ-OE1 3.72Å; R718-E746 IonicContact CZ-OE2 2.88Å; R718-E746 PolarHBondContact NE-O 3.02Å; R718-E746 VanDerWaalsContact NE-O 3.13Å; R718-E746 IonicContact NH1-OE1 2.67Å; R718-E746 PolarHBondContact NH1-OE1 2.84Å; R718-E746 IonicContact NH1-OE2 3.43Å; R718-E746 PolarHBondContact NH1-OE2 2.9Å; R718-E746 IonicContact NH2-OE1 3.58Å; R718-E746 PolarHBondContact NH2-OE1 2.92Å; R718-E746 IonicContact NH2-OE2 3.14Å
719G85.1Confident78.9Confident74 Ų7496.8 Ų96.876%0.76353%0.525SS*.Hα-helixtrans-63.4-30.4175.900000113.5A715 K716 G721A715-G719 PolarHBondContact O-N 3Å; K716-G719 PolarHBondContact O-N 2.65Å; G719-G721 PolarHBondContact O-N 3.04Å
720E90.2Very high78Confident124 Ų12499.3 Ų99.358%0.57954%0.539SS*.THydrogen-bonded Turntrans-78.11.3172.5-68.9156.6-164.600113.2K716 R717 R718 L722K716-E720 WeakPolarHBondContact O-CG 3.36Å; K716-E720 PolarHBondContact O-N 2.85Å; R717-E720 PolarHBondContact O-N 3.16Å; R718-E720 VanDerWaalsContact C-N 3.25Å; R718-E720 PolarHBondContact O-N 3.17Å; E720-L722 HydrophobicContact CB-CD1 4.03Å; E720-L722 HydrophobicContact CB-CG 4.28Å; E720-L722 PolarHBondContact O-N 2.84Å; E720-L722 VanDerWaalsContact O-N 3.11Å
721G81.4Confident77Confident67 Ų6795.4 Ų95.469%0.69154%0.537SS*.THydrogen-bonded Turntrans68.34.3-179.600000115.1R717 R718 G719R717-G721 PolarHBondContact O-N 2.86Å; R718-G721 PolarHBondContact O-N 3.06Å; G719-G721 PolarHBondContact O-N 3.04Å
722L79.8Confident75.9Confident90 Ų9099.2 Ų99.247%0.47157%0.566SS.*PPolyproline II helixtrans-69.5136.5-176.5-77.1164000110.6R717 E720 S724R717-L722 HydrophobicContact CG-CB 3.88Å; R717-L722 HydrophobicContact CG-CD1 3.74Å; R717-L722 HydrophobicContact CG-CG 4.47Å; R717-L722 PolarHBondContact O-N 2.99Å; R717-L722 VanDerWaalsContact O-N 3.08Å; E720-L722 HydrophobicContact CB-CD1 4.03Å; E720-L722 HydrophobicContact CB-CG 4.28Å; E720-L722 PolarHBondContact O-N 2.84Å; E720-L722 VanDerWaalsContact O-N 3.11Å; L722-S724 PolarHBondContact O-N 3.28Å
723P69.6Low74.8Confident102 Ų102100.1 Ų100.166%0.66257%0.572SS**PPolyproline II helixtrans-60.4135.9-179.324.5-33.6000111
724S66.1Low73.9Confident44 Ų44101.6 Ų101.631%0.30859%0.585SS.*PPolyproline II helixtrans-56144.7166.2-1680000109.1L722 K726L722-S724 PolarHBondContact O-N 3.28Å; S724-K726 PolarHBondContact O-N 2.84Å
725R63.6Low73.2Confident206 Ų206105.9 Ų105.978%0.77761%0.609SS**  trans-71.884.3179-80.5-169.5174.1-172.1-2.5108.9T727R725-T727 CarbonylContact O-C 3.59Å; R725-T727 PolarHBondContact O-N 3.11Å
726K58.2Low72.2Confident205 Ų205113.7 Ų113.789%0.89163%0.633SS**SBendtrans-54.9-23.3-179.8-66.6-174.3178.7-1780113.2S724S724-K726 PolarHBondContact O-N 2.84Å
727T56.1Low71.3Confident112 Ų112110.5 Ų110.569%0.68763%0.628SS**SBendtrans-117.5112.1167.3-45.40000109.1R725 L729R725-T727 CarbonylContact O-C 3.59Å; R725-T727 PolarHBondContact O-N 3.11Å; T727-L729 PolarHBondContact O-N 3.16Å
728A62Low70.6Confident66 Ų66109.6 Ų109.655%0.54563%0.631SS.*  trans-70.9121.5155.600000107.1V730A728-V730 WeakPolarHBondContact CB-O 3.47Å; A728-V730 PolarHBondContact O-N 3.34Å; A728-V730 VanDerWaalsContact O-N 3.13Å
729L66.1Low70.1Confident174 Ų174107.6 Ų107.691%0.91163%0.63SS**SBendtrans-63.1-21-176.1-156.481.2000112.8T727T727-L729 PolarHBondContact O-N 3.16Å
730V71.7Confident69.6Low115 Ų115108.9 Ų108.970%0.69763%0.625SS**SBendtrans-111.3125.8169.7-176.30000107A728A728-V730 WeakPolarHBondContact CB-O 3.47Å; A728-V730 PolarHBondContact O-N 3.34Å; A728-V730 VanDerWaalsContact O-N 3.13Å
731P68.4Low68.8Low101 Ų101104.5 Ų104.566%0.65660%0.604SS**  trans-56.4142.3172.4-24.934.6000111.3S733P731-S733 PolarHBondContact O-N 3.3Å; P731-S733 VanDerWaalsContact O-N 3.11Å
732P65.3Low68.5Low114 Ų114102.8 Ų102.874%0.7458%0.577SS**  trans-64.9114.4174.727.3-33000109.5A734P732-A734 PolarHBondContact O-N 2.88Å
733S66Low68.6Low59 Ų59101.7 Ų101.741%0.41357%0.574SS.*  trans-64.6128.6173.838.10000109.9P731 D735 Y736 S737P731-S733 PolarHBondContact O-N 3.3Å; P731-S733 VanDerWaalsContact O-N 3.11Å; S733-D735 PolarHBondContact O-N 2.88Å; S733-Y736 CarbonylContact O-C 3.54Å; S733-Y736 PolarHBondContact O-N 2.97Å; S733-Y736 VanDerWaalsContact O-N 3.12Å; S733-Y736 WeakPolarHBondContact OG-CD2 3.5Å; S733-S737 PolarHBondContact O-N 2.97Å
734A69.9Low69.5Low84 Ų8498.4 Ų98.469%0.69455%0.552SS**G310 helixtrans-57-39.7-176.500000111.8P732 Y736 S737P732-A734 PolarHBondContact O-N 2.88Å; A734-Y736 PolarHBondContact O-N 2.95Å; A734-S737 VanDerWaalsContact O-CB 3.25Å; A734-S737 WeakPolarHBondContact O-CB 3.47Å; A734-S737 PolarHBondContact O-N 2.87Å; A734-S737 VanDerWaalsContact O-N 3.15Å
735D72Confident70.6Confident145 Ų14598.8 Ų98.878%0.77555%0.553SS**G310 helixtrans-68.6-19.7-177.4-40.1-74.5000113.7S733S733-D735 PolarHBondContact O-N 2.88Å
736Y65.5Low71.5Confident196 Ų19694.3 Ų94.377%0.76954%0.541SS*.G310 helixtrans-115.312.4176.5-60.5-89.7000112.2S733 A734 T738S733-Y736 CarbonylContact O-C 3.54Å; S733-Y736 PolarHBondContact O-N 2.97Å; S733-Y736 VanDerWaalsContact O-N 3.12Å; S733-Y736 WeakPolarHBondContact OG-CD2 3.5Å; A734-Y736 PolarHBondContact O-N 2.95Å; Y736-T738 PolarHBondContact O-N 3.33Å
737S69.7Low72.7Confident77 Ų7791.3 Ų91.354%0.53854%0.535SS..PPolyproline II helixtrans-64.7134175.8-168.90000110S733 A734 P739S733-S737 PolarHBondContact O-N 2.97Å; A734-S737 VanDerWaalsContact O-CB 3.25Å; A734-S737 WeakPolarHBondContact O-CB 3.47Å; A734-S737 PolarHBondContact O-N 2.87Å; A734-S737 VanDerWaalsContact O-N 3.15Å; S737-P739 WeakPolarHBondContact O-CD 3.08Å
738T70.9Confident74.3Confident54 Ų5487 Ų8733%0.33151%0.509SS..PPolyproline II helixtrans-67.8126.1178.9-58.60000108.6Y736 R742 T743Y736-T738 PolarHBondContact O-N 3.33Å; T738-R742 HydrophobicContact CG2-CB 3.75Å; T738-T743 HydrophobicContact CG2-CG2 3.88Å; T738-T743 WeakPolarHBondContact O-CG2 3.41Å
739P74.4Confident75.6Confident51 Ų5188.1 Ų88.133%0.33151%0.505SS..PPolyproline II helixtrans-55.6144.1-176.7-29.635.7000112.8S737 H741 R742 T743S737-P739 WeakPolarHBondContact O-CD 3.08Å; P739-H741 PolarHBondContact O-N 3.16Å; P739-R742 WeakPolarHBondContact O-CA 3.48Å; P739-R742 PolarHBondContact O-N 3.18Å; P739-T743 PolarHBondContact O-N 2.86Å; P739-T743 VanDerWaalsContact O-N 3.14Å
740P74.8Confident76.8Confident100 Ų10083.2 Ų83.265%0.64948%0.484SS*.THydrogen-bonded Turntrans-59.3-14.7-175.7-29.136.3000116.6T743P740-T743 WeakPolarHBondContact CA-OG1 3.35Å; P740-T743 PolarHBondContact O-OG1 2.93Å
741H74.1Confident77.6Confident32 Ų3284.7 Ų84.715%0.14848%0.483CS..THydrogen-bonded Turntrans-92.4-0.3174.469.7-94.7000113.3R621 P739R621-H741 HydrophobicContact CB-CB 4.27Å; P739-H741 PolarHBondContact O-N 3.16Å
742R73.6Confident78.8Confident32 Ų3281.1 Ų81.112%0.12146%0.458CS..THydrogen-bonded Turntrans-115.9-21.8173.3-61.3-170.2-174.9-145.62.7112.8N129 E133 E707 T738 P739 V744N129-R742 PolarHBondContact OD1-NH2 2.8Å; E133-R742 IonicContact OE1-CZ 3.51Å; E133-R742 IonicContact OE1-NH2 2.72Å; E133-R742 PolarHBondContact OE1-NH2 3.02Å; E707-R742 IonicContact OE1-NH1 3.53Å; T738-R742 HydrophobicContact CG2-CB 3.75Å; P739-R742 WeakPolarHBondContact O-CA 3.48Å; P739-R742 PolarHBondContact O-N 3.18Å; R742-V744 PolarHBondContact O-N 2.94Å
743T83.1Confident80.1Confident66 Ų6675.7 Ų75.741%0.40542%0.423SS..PPolyproline II helixtrans-66.9119.8173.249.20000110.9T738 P739 P740T738-T743 HydrophobicContact CG2-CG2 3.88Å; T738-T743 WeakPolarHBondContact O-CG2 3.41Å; P739-T743 PolarHBondContact O-N 2.86Å; P739-T743 VanDerWaalsContact O-N 3.14Å; P740-T743 WeakPolarHBondContact CA-OG1 3.35Å; P740-T743 PolarHBondContact O-OG1 2.93Å
744V88.5Confident81.3Confident33 Ų3373 Ų7320%0.240%0.404CS..PPolyproline II helixtrans-87124.4173.5-173.70000109.2Y701 L703 F711 R742 T748 V753Y701-V744 HydrophobicContact CD1-CB 4.47Å; Y701-V744 HydrophobicContact CD1-CG2 3.9Å; Y701-V744 HydrophobicContact CD2-CG1 4.05Å; Y701-V744 HydrophobicContact CD2-CG2 4.45Å; Y701-V744 HydrophobicContact CE2-CG1 4.37Å; Y701-V744 HydrophobicContact CG-CB 4.42Å; Y701-V744 HydrophobicContact CG-CG1 4.21Å; Y701-V744 HydrophobicContact CG-CG2 3.78Å; L703-V744 HydrophobicContact CD1-CG2 3.97Å; L703-V744 HydrophobicContact CD2-CG2 3.89Å; L703-V744 HydrophobicContact CG-CG2 4.3Å; F711-V744 HydrophobicContact CD2-CB 4.42Å; F711-V744 HydrophobicContact CD2-CG1 4.16Å; F711-V744 HydrophobicContact CE2-CG1 3.93Å; R742-V744 PolarHBondContact O-N 2.94Å; V744-T748 HydrophobicContact CG1-CG2 3.94Å; V744-T748 WeakPolarHBondContact CG1-OG1 3.43Å; V744-V753 HydrophobicContact CG1-CG2 3.9Å
745P88.1Confident82.3Confident52 Ų5269 Ų6934%0.33837%0.371SS..PPolyproline II helixtrans-55.2147172.6-26.634.7000113.1Y701 D747 T748Y701-P745 VanDerWaalsContact CZ-CD 3.46Å; Y701-P745 VanDerWaalsContact OH-CD 3.24Å; Y701-P745 WeakPolarHBondContact OH-CD 3.3Å; P745-D747 WeakPolarHBondContact CB-OD1 3.38Å; P745-D747 PolarHBondContact O-N 3.29Å; P745-D747 VanDerWaalsContact O-N 3.13Å; P745-T748 WeakPolarHBondContact CB-OG1 3.46Å; P745-T748 VanDerWaalsContact CD-OG1 3.31Å; P745-T748 WeakPolarHBondContact CD-OG1 3.46Å; P745-T748 WeakPolarHBondContact O-CB 3.47Å; P745-T748 PolarHBondContact O-N 3.15Å; P745-T748 PolarHBondContact O-OG1 2.87Å
746E82.4Confident83.2Confident112 Ų11262.1 Ų62.152%0.52333%0.334SS..THydrogen-bonded Turntrans-62.9-22.6-172.6-64.5-131.1122.300114R718R718-E746 VanDerWaalsContact CZ-CD 3.46Å; R718-E746 IonicContact CZ-OE1 3.72Å; R718-E746 IonicContact CZ-OE2 2.88Å; R718-E746 PolarHBondContact NE-O 3.02Å; R718-E746 VanDerWaalsContact NE-O 3.13Å; R718-E746 IonicContact NH1-OE1 2.67Å; R718-E746 PolarHBondContact NH1-OE1 2.84Å; R718-E746 IonicContact NH1-OE2 3.43Å; R718-E746 PolarHBondContact NH1-OE2 2.9Å; R718-E746 IonicContact NH2-OE1 3.58Å; R718-E746 PolarHBondContact NH2-OE1 2.92Å; R718-E746 IonicContact NH2-OE2 3.14Å
747D84.4Confident84.2Confident143 Ų14353.7 Ų53.777%0.76530%0.301SS*.THydrogen-bonded Turntrans-98.8-0.1-175.456.4-45.6000114.1P745P745-D747 WeakPolarHBondContact CB-OD1 3.38Å; P745-D747 PolarHBondContact O-N 3.29Å; P745-D747 VanDerWaalsContact O-N 3.13Å
748T89.4Confident84.9Confident21 Ų2151 Ų5113%0.12928%0.28CS..  trans-66.7132.8-179.2-48.90000112.1Y701 V744 P745 L752 V753Y701-T748 HydrophobicContact CD2-CG2 3.77Å; Y701-T748 HydrophobicContact CE2-CG2 3.66Å; V744-T748 HydrophobicContact CG1-CG2 3.94Å; V744-T748 WeakPolarHBondContact CG1-OG1 3.43Å; P745-T748 WeakPolarHBondContact CB-OG1 3.46Å; P745-T748 VanDerWaalsContact CD-OG1 3.31Å; P745-T748 WeakPolarHBondContact CD-OG1 3.46Å; P745-T748 WeakPolarHBondContact O-CB 3.47Å; P745-T748 PolarHBondContact O-N 3.15Å; P745-T748 PolarHBondContact O-OG1 2.87Å; T748-L752 HydrophobicContact CG2-CB 4.2Å; T748-V753 HydrophobicContact CG2-CG2 3.96Å
749D90.1Very high85.7Confident90 Ų9048.6 Ų48.648%0.48127%0.265SS..  trans-58.8127.6171.8-166.7-46.3000111.4E751 L752D749-E751 PolarHBondContact O-N 2.9Å; D749-E751 VanDerWaalsContact O-N 3.15Å; D749-E751 WeakPolarHBondContact OD1-CB 3.3Å; D749-E751 PolarHBondContact OD1-N 2.71Å; D749-L752 HydrophobicContact CB-CD1 4.31Å; D749-L752 HydrophobicContact CB-CG 4.29Å; D749-L752 WeakPolarHBondContact O-CB 3.09Å; D749-L752 PolarHBondContact O-N 2.78Å
750P90.1Very high86.4Confident70 Ų7046.6 Ų46.646%0.45525%0.251SS..G310 helixtrans-52.9-27.8173.9-27.936.4000115.6N680 F711 L752 V753N680-P750 PolarHBondContact ND2-O 2.73Å; F711-P750 HydrophobicContact CE1-CB 4.32Å; F711-P750 HydrophobicContact CZ-CB 4.44Å; F711-P750 HydrophobicContact CZ-CG 4.37Å; P750-L752 PolarHBondContact O-N 3.04Å; P750-V753 PolarHBondContact O-N 3.32Å; P750-V753 VanDerWaalsContact O-N 3.12Å
751E89.7Confident87.1Confident147 Ų14743 Ų4369%0.68723%0.226SC*.G310 helixtrans-67.5-22.7175.5-66.8-161.2-176.100113.2D749 V753 F754D749-E751 PolarHBondContact O-N 2.9Å; D749-E751 VanDerWaalsContact O-N 3.15Å; D749-E751 WeakPolarHBondContact OD1-CB 3.3Å; D749-E751 PolarHBondContact OD1-N 2.71Å; E751-V753 VanDerWaalsContact C-N 3.32Å; E751-F754 WeakPolarHBondContact O-CZ 3.35Å
752L92.4Very high87.7Confident25 Ų2544.5 Ų44.513%0.13123%0.233CC..G310 helixtrans-85.6-1.9173.4-60.4177.7000113.1L625 E698 C700 Y701 T748 D749 P750L625-L752 HydrophobicContact CD1-CD2 3.72Å; E698-L752 HydrophobicContact CG-CD1 4.26Å; E698-L752 HydrophobicContact CG-CD2 4.36Å; C700-L752 HydrophobicContact CB-CB 4.36Å; C700-L752 WeakPolarHBondContact CB-O 3.42Å; Y701-L752 PolarHBondContact N-O 3.11Å; T748-L752 HydrophobicContact CG2-CB 4.2Å; D749-L752 HydrophobicContact CB-CD1 4.31Å; D749-L752 HydrophobicContact CB-CG 4.29Å; D749-L752 WeakPolarHBondContact O-CB 3.09Å; D749-L752 PolarHBondContact O-N 2.78Å; P750-L752 PolarHBondContact O-N 3.04Å
753V93Very high88.5Confident0 Ų052.6 Ų52.60%026%0.263CS..EExtended strand (participates in β ladder)trans-109.9111.7-178.1-172.80000110.6N680 L703 Y708 F711 V744 T748 P750 E751N680-V753 PolarHBondContact ND2-O 2.84Å; L703-V753 HydrophobicContact CD1-CG1 3.63Å; L703-V753 HydrophobicContact CG-CG1 4.11Å; Y708-V753 HydrophobicContact CD2-CG1 4.11Å; Y708-V753 HydrophobicContact CE2-CG1 4.19Å; F711-V753 HydrophobicContact CD1-CB 4.21Å; F711-V753 HydrophobicContact CD1-CG1 3.74Å; F711-V753 HydrophobicContact CD2-CG1 4.5Å; F711-V753 HydrophobicContact CE1-CB 3.78Å; F711-V753 HydrophobicContact CE1-CG1 3.85Å; F711-V753 HydrophobicContact CE1-CG2 3.9Å; F711-V753 HydrophobicContact CE2-CG2 3.95Å; F711-V753 HydrophobicContact CG-CG1 4.1Å; F711-V753 HydrophobicContact CZ-CB 4.02Å; F711-V753 HydrophobicContact CZ-CG1 4.29Å; F711-V753 HydrophobicContact CZ-CG2 3.59Å; V744-V753 HydrophobicContact CG1-CG2 3.9Å; T748-V753 HydrophobicContact CG2-CG2 3.96Å; P750-V753 PolarHBondContact O-N 3.32Å; P750-V753 VanDerWaalsContact O-N 3.12Å; E751-V753 VanDerWaalsContact C-N 3.32Å
754F92.1Very high88.7Confident2 Ų255 Ų551%0.00927%0.27CS..EExtended strand (participates in β ladder)trans-105.2150.4-176.3-59.4-72.3000112.2L625 V638 R662 N680 V682 C700 Y701 V702 L703 E751L625-F754 HydrophobicContact CD2-CE2 4.06Å; L625-F754 HydrophobicContact CD2-CZ 4.31Å; V638-F754 HydrophobicContact CG1-CD2 4.42Å; V638-F754 HydrophobicContact CG2-CE2 4.32Å; V638-F754 HydrophobicContact CG2-CZ 4.5Å; R662-F754 VanDerWaalsContact NH2-CZ 3.32Å; N680-F754 HydrophobicContact CB-CD1 3.98Å; N680-F754 HydrophobicContact CB-CE1 4.45Å; N680-F754 WeakPolarHBondContact O-CA 3.42Å; V682-F754 HydrophobicContact CG1-CB 3.99Å; V682-F754 HydrophobicContact CG1-CD1 3.92Å; V682-F754 HydrophobicContact CG1-CG 4.07Å; V682-F754 HydrophobicContact CG2-CB 3.93Å; C700-F754 HydrophobicContact CB-CD2 4.29Å; C700-F754 HydrophobicContact CB-CE2 3.87Å; Y701-F754 PolarHBondContact O-N 2.73Å; V702-F754 HydrophobicContact CG2-CB 4.13Å; V702-F754 HydrophobicContact CG2-CD2 4.46Å; L703-F754 PolarHBondContact N-O 3.32Å; E751-F754 WeakPolarHBondContact O-CZ 3.35Å
755L90.8Very high88.7Confident1 Ų154.2 Ų54.21%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-105.1118.3176.1170.661.6000110.4L678 N680 E681 V682 F705 Y708 R757L678-L755 HydrophobicContact CD2-CD2 3.26Å; N680-L755 PolarHBondContact O-N 2.9Å; E681-L755 CarbonylContact C-O 3.46Å; E681-L755 WeakPolarHBondContact CA-O 3.48Å; V682-L755 PolarHBondContact N-O 3.08Å; F705-L755 HydrophobicContact CB-CD1 4.16Å; F705-L755 HydrophobicContact CD2-CD1 4.15Å; F705-L755 HydrophobicContact CD2-CD2 4.22Å; Y708-L755 HydrophobicContact CD1-CB 4.06Å; Y708-L755 HydrophobicContact CD1-CD1 4.23Å; Y708-L755 HydrophobicContact CD1-CD2 4.03Å; Y708-L755 HydrophobicContact CD1-CG 4.33Å; Y708-L755 HydrophobicContact CD2-CB 3.9Å; Y708-L755 HydrophobicContact CE1-CB 4.27Å; Y708-L755 HydrophobicContact CE1-CD2 4.32Å; Y708-L755 HydrophobicContact CE2-CB 4.12Å; Y708-L755 HydrophobicContact CG-CB 3.88Å; Y708-L755 HydrophobicContact CG-CD1 3.98Å; Y708-L755 HydrophobicContact CG-CG 4.34Å; L755-R757 HydrophobicContact CD1-CG 3.69Å; L755-R757 HydrophobicContact CD2-CG 4.09Å; L755-R757 HydrophobicContact CG-CG 3.81Å
756C90.1Very high88.7Confident1 Ų157.6 Ų57.61%0.00727%0.274CS..EExtended strand (participates in β ladder)trans-100.8129.1168.2-172.70000111.7Y660 V682 V702 L703Y660-C756 HydrophobicContact CE1-CB 4.34Å; V682-C756 HydrophobicContact CG2-CB 4.09Å; V682-C756 WeakPolarHBondContact O-CA 3.32Å; V702-C756 HydrophobicContact CG1-CB 3.47Å; V702-C756 VanDerWaalsContact CG1-CB 3.47Å; L703-C756 PolarHBondContact O-N 3.12Å
757R85.7Confident88.8Confident18 Ų1855.5 Ų55.57%0.06827%0.266CS..EExtended strand (participates in β ladder)trans-138.7-9.4-175.8-82.4-170.657.8-104.9-20.8115.9A120 S121 E681 F705 L755A120-R757 CarbonylContact C-O 3.56Å; S121-R757 WeakPolarHBondContact CA-O 3.4Å; S121-R757 PolarHBondContact N-O 2.92Å; S121-R757 WeakPolarHBondContact OG-CG 3.39Å; S121-R757 PolarHBondContact OG-NE 3.06Å; S121-R757 PolarHBondContact OG-O 3.08Å; E681-R757 IonicContact OE1-CZ 3.89Å; E681-R757 IonicContact OE1-NH1 2.71Å; E681-R757 PolarHBondContact OE1-NH1 2.7Å; F705-R757 HydrophobicContact CB-CG 4.07Å; F705-R757 HydrophobicContact CD2-CG 4.46Å; L755-R757 HydrophobicContact CD1-CG 3.69Å; L755-R757 HydrophobicContact CD2-CG 4.09Å; L755-R757 HydrophobicContact CG-CG 3.81Å
758H85.4Confident88.7Confident22 Ų2250.4 Ų50.410%0.10224%0.238CC..EExtended strand (participates in β ladder)trans-149.1154.4-169-49.5117.5000109.4E681 F683 A684 I767E681-H758 IonicContact OE1-CE1 3.93Å; E681-H758 PolarHBondContact OE1-CE1 3.44Å; E681-H758 IonicContact OE1-ND1 3.99Å; E681-H758 PolarHBondContact OE1-ND1 3.47Å; E681-H758 IonicContact OE2-CE1 2.72Å; E681-H758 IonicContact OE2-ND1 2.73Å; F683-H758 HydrophobicContact CD1-CB 3.6Å; F683-H758 HydrophobicContact CE1-CB 3.72Å; F683-H758 AromaticContact CE1-CG 3.85Å; F683-H758 AromaticContact CE1-ND1 3.36Å; F683-H758 WeakPolarHBondContact CE1-ND1 3.2Å; F683-H758 AromaticContact CZ-ND1 3.91Å; A684-H758 PolarHBondContact N-O 3.13Å; A684-H758 VanDerWaalsContact N-O 3.14Å; H758-I767 HydrophobicContact CB-CG2 3.79Å
759V87.6Confident87.8Confident3 Ų358 Ų582%0.01827%0.269CS..EExtended strand (participates in β ladder)trans-105.3135.2175.41770000109.7A124 L127 A684 I767 L768 P771A124-V759 HydrophobicContact CB-CG2 4.24Å; L127-V759 HydrophobicContact CB-CG2 3.94Å; L127-V759 HydrophobicContact CD1-CG1 4.19Å; L127-V759 HydrophobicContact CD1-CG2 4.28Å; L127-V759 HydrophobicContact CD2-CG1 3.93Å; L127-V759 HydrophobicContact CD2-CG2 4.02Å; L127-V759 HydrophobicContact CG-CG2 4.29Å; A684-V759 CarbonylContact O-C 3.57Å; A684-V759 VanDerWaalsContact O-CA 3.28Å; A684-V759 WeakPolarHBondContact O-CA 3.45Å; A684-V759 WeakPolarHBondContact O-CG1 3.4Å; V759-I767 WeakPolarHBondContact O-CA 3.34Å; V759-L768 HydrophobicContact CB-CB 4.36Å; V759-L768 HydrophobicContact CB-CD1 4.43Å; V759-L768 HydrophobicContact CG1-CD1 3.91Å; V759-L768 PolarHBondContact O-N 3.29Å; V759-P771 HydrophobicContact CB-CB 4.5Å; V759-P771 HydrophobicContact CB-CG 4.27Å; V759-P771 HydrophobicContact CG2-CB 4.49Å; V759-P771 HydrophobicContact CG2-CG 3.93Å
760Y89Confident86.4Confident9 Ų958.5 Ų58.54%0.03527%0.272CS..EExtended strand (participates in β ladder)trans-107.2118.5176.5179.2-113.3000111.5Y661 L666 A684 S685 F762 G765 R766 I767Y661-Y760 AromaticContact CD1-CD1 3.95Å; Y661-Y760 HydrophobicContact CD1-CD1 3.95Å; Y661-Y760 AromaticContact CD1-CE1 3.72Å; Y661-Y760 HydrophobicContact CD1-CE1 3.72Å; Y661-Y760 AromaticContact CD2-CD1 3.62Å; Y661-Y760 HydrophobicContact CD2-CD1 3.62Å; Y661-Y760 HydrophobicContact CD2-CE1 4.18Å; Y661-Y760 HydrophobicContact CE1-CD1 4.29Å; Y661-Y760 AromaticContact CE1-CE1 3.87Å; Y661-Y760 HydrophobicContact CE1-CE1 3.87Å; Y661-Y760 AromaticContact CE2-CD1 3.98Å; Y661-Y760 HydrophobicContact CE2-CD1 3.98Å; Y661-Y760 HydrophobicContact CE2-CE1 4.31Å; Y661-Y760 AromaticContact CG-CD1 3.61Å; Y661-Y760 HydrophobicContact CG-CD1 3.61Å; Y661-Y760 AromaticContact CG-CE1 3.9Å; Y661-Y760 HydrophobicContact CG-CE1 3.9Å; L666-Y760 HydrophobicContact CD2-CD1 4.17Å; L666-Y760 HydrophobicContact CD2-CD2 3.67Å; L666-Y760 HydrophobicContact CD2-CE1 4.18Å; L666-Y760 HydrophobicContact CD2-CE2 3.68Å; L666-Y760 HydrophobicContact CD2-CG 3.91Å; A684-Y760 PolarHBondContact O-N 2.9Å; S685-Y760 WeakPolarHBondContact CB-O 3.11Å; S685-Y760 PolarHBondContact OG-O 3.15Å; Y760-F762 HydrophobicContact CD1-CB 4.18Å; Y760-F762 HydrophobicContact CE1-CB 4.02Å; Y760-F762 PolarHBondContact O-N 3.43Å; Y760-G765 VanDerWaalsContact CE2-C 3.43Å; Y760-R766 WeakPolarHBondContact CD2-O 3.37Å; Y760-I767 HydrophobicContact CD2-CG1 4.38Å
761D89.4Confident84.7Confident24 Ų2455.9 Ų55.913%0.12826%0.255CS..EExtended strand (participates in β ladder)trans-82.789.9173.8177.7-4000108.8R763 H764 G765 R766 L768D761-R763 PolarHBondContact O-N 3.24Å; D761-R763 PolarHBondContact OD1-N 3.12Å; D761-H764 CarbonylContact O-C 3.6Å; D761-H764 PolarHBondContact O-N 2.86Å; D761-H764 VanDerWaalsContact O-N 3.16Å; D761-H764 IonicContact OD1-CE1 3.75Å; D761-H764 IonicContact OD1-CG 2.7Å; D761-H764 PolarHBondContact OD1-N 3.09Å; D761-H764 IonicContact OD1-ND1 3.95Å; D761-H764 PolarHBondContact OD1-ND1 2.87Å; D761-H764 IonicContact OD2-CE1 3.45Å; D761-H764 IonicContact OD2-CG 3.34Å; D761-H764 IonicContact OD2-ND1 2.86Å; D761-H764 PolarHBondContact OD2-ND1 2.82Å; D761-G765 PolarHBondContact O-N 2.92Å; D761-R766 HydrophobicContact CB-CG 3.93Å; D761-R766 PolarHBondContact N-O 3.36Å; D761-R766 PolarHBondContact O-N 2.86Å; D761-R766 IonicContact OD2-CZ 3.99Å; D761-R766 IonicContact OD2-NE 2.94Å; D761-R766 PolarHBondContact OD2-NE 2.86Å; D761-R766 IonicContact OD2-NH2 2.93Å; D761-R766 PolarHBondContact OD2-NH2 3.09Å; D761-L768 HydrophobicContact CB-CD1 4.23Å; D761-L768 HydrophobicContact CB-CD2 3.83Å; D761-L768 HydrophobicContact CB-CG 3.93Å
762F87.6Confident82.2Confident63 Ų6359.9 Ų59.928%0.27627%0.274SS..THydrogen-bonded Turntrans-62.2-21.1-176.278.4-79.8000113.9Y661 H687 Y760Y661-F762 HydrophobicContact CE2-CB 4.27Å; H687-F762 HydrophobicContact CB-CD1 3.63Å; H687-F762 HydrophobicContact CB-CD2 4.2Å; H687-F762 HydrophobicContact CB-CE1 3.68Å; H687-F762 HydrophobicContact CB-CE2 4.25Å; H687-F762 HydrophobicContact CB-CG 3.89Å; H687-F762 HydrophobicContact CB-CZ 3.99Å; H687-F762 AromaticContact CD2-CE2 3.87Å; H687-F762 AromaticContact CD2-CZ 3.98Å; H687-F762 AromaticContact CG-CD2 3.99Å; H687-F762 AromaticContact CG-CE2 3.93Å; Y760-F762 HydrophobicContact CD1-CB 4.18Å; Y760-F762 HydrophobicContact CE1-CB 4.02Å; Y760-F762 PolarHBondContact O-N 3.43Å
763R89.6Confident81.7Confident202 Ų20261.7 Ų61.776%0.76228%0.281SS*.THydrogen-bonded Turntrans-77.6-32.2178.2-63.2-176177.4-170.9-1.6112D761D761-R763 PolarHBondContact O-N 3.24Å; D761-R763 PolarHBondContact OD1-N 3.12Å
764H88.3Confident81.1Confident118 Ų11864.9 Ų64.955%0.54630%0.296SS..THydrogen-bonded Turntrans-113.711.5-177.3-54.993.6000113.6D761 R766D761-H764 CarbonylContact O-C 3.6Å; D761-H764 PolarHBondContact O-N 2.86Å; D761-H764 VanDerWaalsContact O-N 3.16Å; D761-H764 IonicContact OD1-CE1 3.75Å; D761-H764 IonicContact OD1-CG 2.7Å; D761-H764 PolarHBondContact OD1-N 3.09Å; D761-H764 IonicContact OD1-ND1 3.95Å; D761-H764 PolarHBondContact OD1-ND1 2.87Å; D761-H764 IonicContact OD2-CE1 3.45Å; D761-H764 IonicContact OD2-CG 3.34Å; D761-H764 IonicContact OD2-ND1 2.86Å; D761-H764 PolarHBondContact OD2-ND1 2.82Å; H764-R766 HydrophobicContact CB-CG 3.98Å; H764-R766 PolarHBondContact ND1-NH2 3.02Å; H764-R766 PolarHBondContact O-N 2.94Å; H764-R766 VanDerWaalsContact O-N 3.15Å
765G87.8Confident80.5Confident15 Ų1568.4 Ų68.416%0.15531%0.312CS..THydrogen-bonded Turntrans65.315.9174.300000115.9Y760 D761Y760-G765 VanDerWaalsContact CE2-C 3.43Å; D761-G765 PolarHBondContact O-N 2.92Å
766R86.9Confident79.9Confident123 Ų12372.4 Ų72.446%0.46433%0.33SS..EExtended strand (participates in β ladder)trans-126.3148.9-162.567.5-172.4173.8-164.3-8.7114.1Y760 D761 H764 L768Y760-R766 WeakPolarHBondContact CD2-O 3.37Å; D761-R766 HydrophobicContact CB-CG 3.93Å; D761-R766 PolarHBondContact N-O 3.36Å; D761-R766 PolarHBondContact O-N 2.86Å; D761-R766 IonicContact OD2-CZ 3.99Å; D761-R766 IonicContact OD2-NE 2.94Å; D761-R766 PolarHBondContact OD2-NE 2.86Å; D761-R766 IonicContact OD2-NH2 2.93Å; D761-R766 PolarHBondContact OD2-NH2 3.09Å; H764-R766 HydrophobicContact CB-CG 3.98Å; H764-R766 PolarHBondContact ND1-NH2 3.02Å; H764-R766 PolarHBondContact O-N 2.94Å; H764-R766 VanDerWaalsContact O-N 3.15Å; R766-L768 HydrophobicContact CG-CD2 4.41Å
767I85.9Confident79.2Confident69 Ų6976.8 Ų76.835%0.35435%0.35SS..EExtended strand (participates in β ladder)trans-81.7124.9169.1-60.2163.1000108.9L666 F683 H758 V759 Y760 K769L666-I767 HydrophobicContact CD1-CD1 4.16Å; F683-I767 HydrophobicContact CD1-CD1 4.01Å; F683-I767 HydrophobicContact CD1-CG1 3.91Å; F683-I767 HydrophobicContact CD1-CG2 4.32Å; F683-I767 HydrophobicContact CE1-CD1 3.53Å; F683-I767 HydrophobicContact CE1-CG1 3.96Å; F683-I767 HydrophobicContact CE1-CG2 4.36Å; F683-I767 HydrophobicContact CZ-CD1 4.27Å; H758-I767 HydrophobicContact CB-CG2 3.79Å; V759-I767 WeakPolarHBondContact O-CA 3.34Å; Y760-I767 HydrophobicContact CD2-CG1 4.38Å; I767-K769 PolarHBondContact O-N 2.93Å
768L82.1Confident78.8Confident35 Ų3580.7 Ų80.718%0.18337%0.369CS..EExtended strand (participates in β ladder)trans-77.3119.1175.7-59.7-178.3000109.9V759 D761 R766 P771V759-L768 HydrophobicContact CB-CB 4.36Å; V759-L768 HydrophobicContact CB-CD1 4.43Å; V759-L768 HydrophobicContact CG1-CD1 3.91Å; V759-L768 PolarHBondContact O-N 3.29Å; D761-L768 HydrophobicContact CB-CD1 4.23Å; D761-L768 HydrophobicContact CB-CD2 3.83Å; D761-L768 HydrophobicContact CB-CG 3.93Å; R766-L768 HydrophobicContact CG-CD2 4.41Å; L768-P771 HydrophobicContact CB-CB 4.37Å; L768-P771 HydrophobicContact CD1-CB 3.86Å
769K71.2Confident78.3Confident181 Ų18184.9 Ų84.979%0.78739%0.388SS*.SBendtrans-69.6-44.3174.6-64.1178.6-178.7175.90110.6I767I767-K769 PolarHBondContact O-N 2.93Å
770N59.2Low77.6Confident100 Ų10091.2 Ų91.254%0.53542%0.416SS..SBendtrans-130.5101.5168.4-61.7-16.1000108.1L119L119-N770 VanDerWaalsContact CD2-OD1 3.26Å; L119-N770 WeakPolarHBondContact CD2-OD1 3.4Å
771P54.9Low76.7Confident16 Ų1698.1 Ų98.110%0.10445%0.448CS..  trans-65141.6157.930-36.3000109.8N123 V759 L768N123-P771 HydrophobicContact CB-CG 3.5Å; V759-P771 HydrophobicContact CB-CB 4.5Å; V759-P771 HydrophobicContact CB-CG 4.27Å; V759-P771 HydrophobicContact CG2-CB 4.49Å; V759-P771 HydrophobicContact CG2-CG 3.93Å; L768-P771 HydrophobicContact CB-CB 4.37Å; L768-P771 HydrophobicContact CD1-CB 3.86Å
772Q37.2Very low75.5Confident231 Ų231104.8 Ų104.8100%1.07948%0.477SS*.  trans-109.40162.5-66.3170.4-52.900108.2R686R686-Q772 PolarHBondContact NH1-O 3.24Å; R686-Q772 PolarHBondContact NH2-O 3.25Å

Retrieved 772 of 772 residues in 144.5 ms (Link to these results)