A0A3Q0KE25_SCHMA Loading...

RNA-binding protein MEX3B

AlphaFold DB , UniProt , Accession A0A3Q0KE25, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,294 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M31.8Very low34.2Very low240 Ų240144.2 Ų144.2100%1.18282%0.818SS**  0145.60-79.7178.7149.800108.2
2P33Very low34.8Very low112 Ų112147.7 Ų147.773%0.72782%0.823SS**  -100.6124.3-113.432.3-35.4000115V4P2-V4 HydrophobicContact CB-CG2 4.19Å
3T30.1Very low35.6Very low138 Ų138146.5 Ų146.585%0.84781%0.814SS**  trans-56.8132.3141.628.90000109.4
4V36Very low36Very low135 Ų135145 Ų14582%0.81880%0.803SS**  trans-132.4115.1166.2-178.40000107.4P2P2-V4 HydrophobicContact CB-CG2 4.19Å
5S28.7Very low36.3Very low109 Ų109145.8 Ų145.876%0.76280%0.804SS**  trans-128.2105.8-177.154.70000110.1
6M33.7Very low36.7Very low185 Ų185142.6 Ų142.691%0.91180%0.795SS**  trans-159.1160.5162-76.7-153.5-57.900107.8
7A34.7Very low36.8Very low79 Ų79138.3 Ų138.365%0.65378%0.782SS**  cis177.6146.3-32.100000104.9
8N34Very low36.8Very low136 Ų136141.1 Ų141.173%0.72778%0.778SS**  trans32.8111169.5-63.718.9000118.8
9F36.2Very low36.8Very low213 Ų213141.4 Ų141.493%0.93478%0.778SS**  trans-117.4138.5134.2-91.5-84.6000108.5
10D41.7Very low36.9Very low141 Ų141142 Ų14275%0.75478%0.779SS**  trans-80.4162.9-170.7-77.8-79000113.9
11S35.9Very low36.7Very low98 Ų98138.6 Ų138.669%0.68577%0.765SS**SBendtrans-41.3131.6175.1-430000114.9
12E41.8Very low36.9Very low186 Ų186136 Ų13687%0.86975%0.748SS**SBendtrans-174.90.4140.3-98.8-56.284.700113.6
13D44.8Very low37.1Very low133 Ų133139.7 Ų139.771%0.71176%0.757SS**  trans-115.95-173.3-106.3-48.3000116.6L15D13-L15 VanDerWaalsContact C-N 3.27Å; D13-L15 PolarHBondContact O-N 3.13Å; D13-L15 VanDerWaalsContact O-N 3.1Å
14L42.3Very low37.4Very low125 Ų125136.7 Ų136.765%0.65475%0.747SS**THydrogen-bonded Turntrans-78.16.3-167.2-69.7176.5000116.7
15L39.9Very low37.2Very low157 Ų157137.6 Ų137.682%0.82275%0.747SS**THydrogen-bonded Turntrans-88.3-32.1175.5-92.8158.2000113.2D13D13-L15 VanDerWaalsContact C-N 3.27Å; D13-L15 PolarHBondContact O-N 3.13Å; D13-L15 VanDerWaalsContact O-N 3.1Å
16S42.2Very low37.5Very low95 Ų95135.5 Ų135.566%0.66474%0.742SS**THydrogen-bonded Turntrans-77.7-27.5-177.7-56.30000113.2
17A39.8Very low37.5Very low69 Ų69134.4 Ų134.457%0.5774%0.74SS**SBendtrans-86.1-16.3-173.900000115.1
18R35.6Very low37.3Very low189 Ų189140 Ų14071%0.71375%0.753SS**SBendtrans-90-15.7-175.7-91.1-179.2170.9145.3-0.5115.3
19L37.7Very low37.3Very low147 Ų147138.4 Ų138.477%0.7775%0.753SS**SBendtrans-84.2-16.4-179.2-86.5164.2000114.8
20L38.4Very low37.2Very low152 Ų152135.6 Ų135.680%0.79675%0.747SS**SBendtrans-88.2-9.8171.8-91.377.2000113.9
21S32.4Very low37.1Very low71 Ų71134.2 Ų134.250%0.49775%0.749SS.*SBendtrans-94.84.8-173.9-1690000114.9
22F37Very low36.8Very low187 Ų187139.3 Ų139.382%0.8276%0.762SS**SBendtrans-119.59.5-175.3-98.1-77.7000115.1
23M36.4Very low36.5Very low188 Ų188134.1 Ų134.193%0.92676%0.759SS**SBendtrans-126.614.6171-67.9-172.367.400113.1
24A36.7Very low35.6Very low75 Ų75136.3 Ų136.362%0.6276%0.764SS**SBendtrans-147.665.2-179.500000111.1
25N32.1Very low35.1Very low154 Ų154141.8 Ų141.882%0.82478%0.778SS**  trans-164.9137.9162.5-95.8-43.4000109.3
26G34.6Very low34.5Very low65 Ų65141.7 Ų141.767%0.6777%0.773SS**  trans110.3102.2-16200000109.7
27D33Very low34Very low162 Ų162144.8 Ų144.887%0.86678%0.779SS**SBendcis-134.7125.111.4-62.3-52.5000113
28Q31.2Very low33.5Very low197 Ų197146.7 Ų146.792%0.92179%0.788SS**  trans-154.2113155.6-73.2-160.6900110.8
29S33.6Very low33.4Very low103 Ų103140.7 Ų140.772%0.7279%0.785SS**  trans-164.9150.9155.459.90000112
30N35.2Very low33Very low153 Ų153140.7 Ų140.782%0.81879%0.786SS**  trans69.7136.8172.9-49.8-27.8000117
31S38.7Very low32.9Very low113 Ų113139.8 Ų139.879%0.7979%0.787SS**  cis-164.2156.5-17.145.10000109.5
32E30.4Very low32.8Very low204 Ų204142.5 Ų142.595%0.95380%0.796SS**  trans-66.7149.3-175.4-63168.7101.900114.2
33G34.4Very low32.8Very low78 Ų78142.9 Ų142.980%0.80480%0.798SS**  trans-175.580.2177.500000113.2
34Q27Very low32.5Very low178 Ų178140 Ų14083%0.83279%0.786SS**  trans-66.2144.1171.8-63.2176.3-12.700111.2
35Y31.5Very low32.3Very low241 Ų241141.9 Ų141.995%0.94579%0.79SS**  -160.3174128.4-91.7-56.7000110.3
36H27.9Very low32.3Very low155 Ų155138.7 Ų138.772%0.71878%0.779SS**  trans-129.5178.7-148.3-154.3-93000113.2
37M31.2Very low32.3Very low159 Ų159142.3 Ų142.378%0.78378%0.784SS**  trans83.4152.1170.1-44.6-56.717700117.1
38S29.6Very low32.3Very low110 Ų110143.7 Ų143.777%0.76978%0.782SS**  cis-179.2151.5-38.8-990000110.6
39G33.1Very low32.2Very low63 Ų63138.7 Ų138.765%0.64977%0.768SS**  trans121.4110.3169.800000112.4
40N29.4Very low32.1Very low146 Ų146138.4 Ų138.478%0.78177%0.766SS**  58.7127.974.9-67.957000111.8
41T36.8Very low31.9Very low133 Ų133137.9 Ų137.982%0.81676%0.763SS**  cis-145.5155.948.545.30000116.1
42D30.4Very low31.6Very low129 Ų129139.6 Ų139.669%0.6976%0.76SS**  trans-75.5167.9176.9-37.9-105.6000114.6
43F35.2Very low31.5Very low195 Ų195133.8 Ų133.886%0.85574%0.742SS**  trans-163.2116.5135.5-104.8-64.4000114.5
44N31.7Very low31.3Very low126 Ų126138.4 Ų138.467%0.67474%0.742SS**  trans26.4122.4145.2-71.1-3.1000121.3
45T32Very low31.4Very low115 Ų115135.5 Ų135.571%0.70674%0.742SS**  cis95.5148.442.964.40000116.2
46S31.5Very low31.4Very low87 Ų87127.6 Ų127.661%0.60873%0.734SS**  trans84.6111.4153.373.10000121.6
47N35.4Very low31.4Very low142 Ų142128.6 Ų128.676%0.75975%0.745SS**  171122.2108.5-79.6-47.6000108.3
48F32.6Very low31.3Very low190 Ų190124.3 Ų124.383%0.83373%0.734SS**  57.2134.766-72.8-70.1000113.6
49C28Very low31.1Very low92 Ų92125.2 Ų125.262%0.62274%0.741SS**  cis-154.1154.50.7-153.40000108.4
50S33.3Very low30.8Very low98 Ų98130.3 Ų130.369%0.68575%0.745SS**  166.4136.587.3-84.10000107.9
51L29.4Very low30.7Very low142 Ų142130.4 Ų130.474%0.74375%0.746SS**  59.4133.582.7-56.3168.3000113.5
52M32.5Very low30.3Very low148 Ų148130.9 Ų130.973%0.72974%0.742SS**  cis-167.1163.915.2-131164.475.500112.2
53S28.9Very low30.1Very low83 Ų83131 Ų13158%0.5874%0.742SS**  trans52.2155.8142.2-74.80000122.2
54E31.1Very low29.8Very low174 Ų174126.7 Ų126.781%0.81374%0.736SS**  cis-156.7-178.5-4.8-126.6158.4118.800111.7
55S28.6Very low29.9Very low118 Ų118127 Ų12783%0.82575%0.745SS**  trans-69148.7-179.157.70000115.6
56G31.8Very low29.7Very low75 Ų75124.4 Ų124.477%0.77374%0.742SS**  trans-163.7118.1166.800000114.8
57N26.2Very low29.6Very low176 Ų176129.2 Ų129.294%0.94175%0.754SS**  trans-75.4124.7170.6-73.6-40.2000110.7
58A30.8Very low29.5Very low68 Ų68134.6 Ų134.656%0.56276%0.764SS**  trans-156.6129.8163.400000113F60A58-F60 HydrophobicContact CB-CD2 3.53Å; A58-F60 HydrophobicContact CB-CE2 3.31Å; A58-F60 HydrophobicContact CB-CZ 4.29Å; A58-F60 PolarHBondContact O-N 2.79Å
59S24.7Very low29.1Very low130 Ų130132.3 Ų132.391%0.90976%0.76SS**  trans-74.7101.7170.6-54.40000110.1
60F27.3Very low29.4Very low170 Ų170134.1 Ų134.175%0.74677%0.768SS**  trans-109.797.9179-85.1-64.9000113.8A58 I62A58-F60 HydrophobicContact CB-CD2 3.53Å; A58-F60 HydrophobicContact CB-CE2 3.31Å; A58-F60 HydrophobicContact CB-CZ 4.29Å; A58-F60 PolarHBondContact O-N 2.79Å; F60-I62 HydrophobicContact CB-CD1 4.27Å; F60-I62 HydrophobicContact CB-CG1 3.95Å; F60-I62 PolarHBondContact O-N 3.33Å
61N25.6Very low29.2Very low148 Ų148136.8 Ų136.879%0.79177%0.77SS**  trans-75.8106.6156.8-162.2-4.3000107.5
62I29.9Very low29Very low142 Ų142135.9 Ų135.973%0.72877%0.771SS**  trans-102.193.2-176-55.7-174.6000110.3F60F60-I62 HydrophobicContact CB-CD1 4.27Å; F60-I62 HydrophobicContact CB-CG1 3.95Å; F60-I62 PolarHBondContact O-N 3.33Å
63N25.8Very low28.9Very low131 Ų131134.1 Ų134.170%0.70177%0.772SS**  trans-74.5141.2160-78-36.8000110.5
64S29.7Very low28.9Very low105 Ų105137.2 Ų137.273%0.73478%0.782SS**  trans34.8112.4146.2-51.10000120.4
65P33.3Very low29Very low132 Ų132136.3 Ų136.386%0.85778%0.781SS**  -71.6148.1128.534.4-31.4000109.4
66G28.2Very low29.1Very low62 Ų62139.8 Ų139.864%0.63978%0.778SS**  cis148.397.4-1.800000111.1
67H28.4Very low29.2Very low187 Ų187141.3 Ų141.387%0.86677%0.768SS**  trans45.4110.7165.6-68.8-103.8000119.2
68R33Very low29.5Very low256 Ų256142.2 Ų142.297%0.96676%0.758SS**  -148.1147.9115.7-112.1169.2-164.5-157.42.3111.6
69N25.1Very low29.8Very low141 Ų141144.9 Ų144.975%0.75477%0.767SS**  trans-128.1109.9-165176.611.2000109.3
70V34.4Very low30.2Very low130 Ų130143.2 Ų143.279%0.78876%0.756SS**  trans-145.597.7172.6-174.80000105.9
71Q27.7Very low30.5Very low155 Ų155140.6 Ų140.672%0.72476%0.758SS**  6595.687.5-77.2-170.3-34.400116
72T25.6Very low31Very low123 Ų123136.7 Ų136.776%0.75575%0.753SS**  50.4106127.156.10000120.7
73S31.3Very low31.1Very low110 Ų110137.6 Ų137.677%0.76976%0.758SS**  -159.2121.7126.7-74.90000106.2
74L27.4Very low31.2Very low148 Ų148135.8 Ų135.878%0.77576%0.756SS**  48.1114.376.4-57.4180000110.2
75I33.1Very low31.2Very low156 Ų156138.1 Ų138.180%0.876%0.759SS**  -151.3151.670.2-82.2152.2000112.4
76Y31Very low31Very low191 Ų191136.8 Ų136.875%0.74975%0.753SS**  trans-14.1157.3157.4-63.4-98.8000119.7
77D34.7Very low31.5Very low107 Ų107139.3 Ų139.357%0.57276%0.758SS**  cis-154.1160.718.7-144.5-10.3000116.9
78R33.2Very low31.5Very low195 Ų195135.9 Ų135.974%0.73676%0.755SS**  trans41.7107.5143.8-91.6162.8-173.3167.2-3121.9
79T35.8Very low31.3Very low123 Ų123130.1 Ų130.176%0.75574%0.743SS**  101.2146.581.344.60000112.9
80S34.1Very low31.8Very low95 Ų95130.6 Ų130.666%0.66474%0.741SS**  cis-165.8155.8-4.141.40000111.8
81S33.9Very low31.6Very low115 Ų115130.9 Ų130.980%0.80474%0.738SS**  trans49.5128.3147.560.20000120.4
82G34.9Very low32Very low66 Ų66126.9 Ų126.968%0.6874%0.738SS**  cis152-172.60.500000112.2
83I33Very low32.4Very low161 Ų161126.6 Ų126.683%0.82674%0.736SS**  trans42.4105.6159.949.8174.3000118.5
84S27Very low32.5Very low94 Ų94132.4 Ų132.466%0.65774%0.743SS**  cis9415149.771.90000115
85L30.9Very low32.8Very low153 Ų153128.9 Ų128.980%0.80174%0.742SS**  trans85.2106.6160.4-62.2165.7000119.8
86S27.8Very low32.9Very low105 Ų105125.1 Ų125.173%0.73474%0.743SS**  85153.7123-60.50000121.1
87P40Very low33Very low115 Ų115122.6 Ų122.675%0.74775%0.747SS**  trans-105.7-170.4-171.443.3-37.3000113.8
88S27.5Very low33.2Very low115 Ų115123.2 Ų123.280%0.80476%0.756SS**  trans75154.7-179.386.60000113.4
89N28.6Very low33.3Very low134 Ų134120.6 Ų120.672%0.71776%0.762SS**  cis-152.2-169.23.5-159.79000109.7
90E36.1Very low32.9Very low151 Ų151119.7 Ų119.771%0.70676%0.761SS**  trans75.1161.1158-45.2-146.6-169.600117.7
91N31Very low33.1Very low137 Ų137120.6 Ų120.673%0.73376%0.764SS**  cis-170.4149.9-37.3-92.6-39.6000105.8
92G34.3Very low32.9Very low70 Ų70122 Ų12272%0.72276%0.761SS**  trans145.670.5172.500000116.2
93V33.8Very low32.7Very low118 Ų118124.3 Ų124.372%0.71577%0.767SS**  84.3100.673.8175.30000113.8
94Y34.4Very low32.6Very low231 Ų231120.2 Ų120.291%0.90676%0.764SS**  trans72.1148.5153.7-69.2-142.1000118.5
95G34.5Very low33.2Very low74 Ų74121.3 Ų121.376%0.76377%0.769SS**  cis164118.1-12.800000116.7
96G35Very low33.2Very low78 Ų78119 Ų11980%0.80477%0.765SS**  trans74.1173.5162.900000117.2
97V33.4Very low33.8Very low138 Ų138120.4 Ų120.484%0.83677%0.77SS**  cis-155.4148.5-17.3123.80000107.9
98P37.5Very low33.6Very low119 Ų119120.2 Ų120.277%0.77377%0.769SS**  trans-95.9141-160.735.4-35.8000116.3
99V34.9Very low34.1Very low141 Ų141119.5 Ų119.586%0.85576%0.761SS**  trans-146.6141.3167.7178.20000110.8
100S28.2Very low34.9Very low104 Ų104119.6 Ų119.673%0.72777%0.769SS**  trans-95.6-164.6176.2-26.40000111.4
101P37.7Very low34.7Very low114 Ų114117.9 Ų117.974%0.7477%0.769SS**  cis-125.7-122.9-25.233.3-11.2000110
102I29.8Very low34.7Very low144 Ų144117.6 Ų117.674%0.73877%0.772SS**  trans78.397.1166.4-63165000115.1
103S30.7Very low34.6Very low115 Ų115122.6 Ų122.680%0.80478%0.779SS**  69.2104.6101.1-510000113.9
104G32.4Very low34.3Very low74 Ų74121 Ų12176%0.76377%0.773SS**  102.2-173.172.900000109.4
105P38.2Very low33.9Very low118 Ų118118.8 Ų118.877%0.76677%0.771SS**  cis-126.2-169.3-21.739.4-22.3000112
106S31.9Very low33.8Very low103 Ų103119.1 Ų119.172%0.7277%0.766SS**  trans54.5133155.258.90000119.7
107T40.7Very low33.4Very low135 Ų135121.8 Ų121.883%0.82876%0.762SS**  -142.3165.759.8360000114.1
108P35.5Very low33.4Very low112 Ų112123 Ų12373%0.72776%0.763SS**  trans-108.7169-153.618.91.7000115.7
109P37Very low33Very low99 Ų99120.6 Ų120.664%0.64375%0.753SS**  trans-77.6156.9175.333.6-36.7000113.2T111P109-T111 PolarHBondContact O-N 3.21Å
110P45.8Very low32.9Very low136 Ų136120.6 Ų120.688%0.88375%0.748SS**  trans-71.7113166.529.8-32.1000110.3
111T32.3Very low33.1Very low116 Ų116121 Ų12171%0.71274%0.743SS**  trans-87.6154.4-180-64.20000111.9P109 M113P109-T111 PolarHBondContact O-N 3.21Å; T111-M113 PolarHBondContact O-N 2.96Å
112V31.1Very low32.8Very low130 Ų130124.3 Ų124.379%0.78875%0.746SS**  trans-26.5123.7168.4-177.50000115.5
113M31.2Very low33.1Very low175 Ų175122.3 Ų122.386%0.86274%0.742SS**  trans-155142.3150.8-93.2162.164.100106.5T111T111-M113 PolarHBondContact O-N 2.96Å
114S27.9Very low33.2Very low84 Ų84123.9 Ų123.959%0.58774%0.742SS**  cis158.4127.8-23460000105.6
115Q26.4Very low33.3Very low185 Ų185128.3 Ų128.386%0.86474%0.744SS**  trans73.9148.1155.5-167.6173.6-16.600119.2
116A32.5Very low32.9Very low81 Ų81132.8 Ų132.867%0.66975%0.746SS**  trans68149.9167.200000118.7
117D27.4Very low33.2Very low135 Ų135137.3 Ų137.372%0.72275%0.749SS**  cis-172.7153.8-36.5-116.5-51.8000109
118L32.8Very low32.7Very low162 Ų162137.6 Ų137.685%0.84875%0.745SS**  trans58.4176.7171.8-80.871.3000116.3
119A29.2Very low32.8Very low69 Ų69139.8 Ų139.857%0.5775%0.745SS**  -168.8163.4-50.700000109.3
120D33Very low32.5Very low141 Ų141142.8 Ų142.875%0.75475%0.754SS**  trans63.6160.7152.8-62.6-15.4000120
121N31.4Very low31.9Very low113 Ų113139.8 Ų139.860%0.60475%0.748SS**  cis-164.9135.4-31.5-102.5-35.1000111.1
122F30.9Very low32.2Very low184 Ų184141 Ų14181%0.80776%0.755SS**  trans48.9179.6139.8-79.4-59.3000122.5
123P37.7Very low32.6Very low101 Ų101139.7 Ų139.766%0.65675%0.749SS**  cis-134.3169.6-3432.2-13.4000116.4
124N31.1Very low33Very low149 Ų149137.5 Ų137.580%0.79775%0.748SS**  trans23.6142.4141.5-63.6-46.3000123.6
125M35.8Very low33.1Very low167 Ų167143.8 Ų143.882%0.82376%0.761SS**  -153.3167.3118.2-113.8-58.1-130.400113.2
126R30Very low33.3Very low212 Ų212140.3 Ų140.380%0.876%0.756SS**  trans-102.1167.1-166.2-50.9172.1179.9165.3-1.5113.3
127Y37.3Very low33.2Very low198 Ų198140.4 Ų140.478%0.77676%0.758SS**  -172.8157.2106.4-113.7-89.6000113.4
128N31.2Very low33.3Very low141 Ų141141.7 Ų141.775%0.75476%0.763SS**  trans-99.2163.7177.4-69.9-28.5000111.9
129H37.5Very low33.2Very low158 Ų158140.6 Ų140.673%0.73176%0.764SS**  179.5114.7127-87.8-59000110.2
130I30.6Very low33.4Very low161 Ų161142.7 Ų142.783%0.82677%0.774SS**  63.2114.799.9-59.7-179.7000115.3
131G33.6Very low33.8Very low74 Ų74141.8 Ų141.876%0.76378%0.776SS**  trans-179127.5170.100000114.1
132V37.2Very low34Very low140 Ų140143 Ų14385%0.84879%0.792SS**PPolyproline II helixtrans-86146.5-168.31760000113.7
133P40Very low34.1Very low104 Ų104142.7 Ų142.768%0.67580%0.798SS**PPolyproline II helixtrans-97.1153.1174.137.5-34.7000114.7
134P39.1Very low33.9Very low129 Ų129141.5 Ų141.584%0.83880%0.804SS**PPolyproline II helixtrans-99.6160.8164.936.1-30.4000113.9
135Y30.6Very low34.1Very low216 Ų216142 Ų14285%0.84781%0.806SS**PPolyproline II helixtrans-99.8166-168.6-95.9-105.3000115
136S30.8Very low34Very low111 Ų111142.7 Ų142.778%0.77681%0.805SS**  trans69.9157.5149.4-69.40000118.9
137A29.7Very low34.2Very low84 Ų84140.5 Ų140.569%0.69481%0.808SS**  cis-164.5173.8-23.200000110.2
138L29Very low34.1Very low161 Ų161134.4 Ų134.484%0.84381%0.805SS**  trans-9140.8157.3-45.5170.2000116.3
139T32.7Very low34.3Very low140 Ų140132.7 Ų132.786%0.85980%0.804SS**  -160.6-161.756.451.90000113.1
140S32.2Very low34.1Very low113 Ų113132.4 Ų132.479%0.7981%0.807SS**  trans-100-160.2-165-42.40000114.1
141P42Very low34.5Very low122 Ų122129.8 Ų129.879%0.79280%0.8SS**  -122.6175.1-123.640-21.4000116.6
142C34.3Very low34.6Very low137 Ų137133.8 Ų133.893%0.92680%0.799SS**  trans-162.5172.8152.4-127.10000114.2
143L33.3Very low34.4Very low179 Ų179134.2 Ų134.294%0.93779%0.791SS**  trans-103.9156.5-174.3-72.1149000112.9
144G35.1Very low34.1Very low76 Ų76134 Ų13478%0.78479%0.793SS**  trans17768.2175.200000119.9
145N33.9Very low33.6Very low158 Ų158134.9 Ų134.985%0.84579%0.789SS**  trans9139.9155.6-62.5-22000123.5
146K34.7Very low33.7Very low183 Ų183131.6 Ų131.680%0.79679%0.785SS**  128.7127.8109.7-122.7179.8179.9-176.20117.9
147L34.1Very low33.4Very low166 Ų166133.2 Ų133.287%0.86979%0.786SS**  trans64.1139.7160.1-62.8143.4000118.1
148G34.5Very low33.6Very low70 Ų70137 Ų13772%0.72279%0.793SS**  cis173.9169.8-9.500000113.9
149S35Very low33.6Very low104 Ų104136 Ų13673%0.72779%0.789SS**  trans78.291.2161-162.90000122.9
150I33.8Very low33.3Very low153 Ų153137.1 Ų137.179%0.78579%0.79SS**  56137.8104.6-61.6159.7000119.3
151P38.1Very low33.2Very low106 Ų106135.2 Ų135.269%0.68879%0.787SS**  cis-149-157.8-29.340.5-16.2000115.4
152Q36.7Very low32.6Very low157 Ų157133.5 Ų133.573%0.73478%0.783SS**  trans105.4101.4151.9-54.9-131.5-34.200123.5
153H32.5Very low32.3Very low150 Ų150130.4 Ų130.469%0.69478%0.775SS**  70.4125.9124.2-64.1-51.7000126.1
154S34.7Very low32.1Very low100 Ų100127.4 Ų127.470%0.69976%0.76SS**  trans77.6145.9135.5-65.80000120.4
155L28.2Very low31.7Very low147 Ų147133.5 Ų133.577%0.7776%0.759SS**  cis-164.9171.4-19.3-114.3177.3000108.6
156L31.9Very low31.7Very low146 Ų146134.3 Ų134.376%0.76476%0.758SS**  trans75.4100.2166.2-49.7-172.3000120.5
157N25.4Very low31.4Very low146 Ų146130.5 Ų130.578%0.78175%0.754SS**  47.1109116.6-169.726.6000120.8
158L32.9Very low31.2Very low163 Ų163131 Ų13185%0.85376%0.756SS**  trans-141159.1156.2-89.5106.4000112.4
159N28.9Very low30.9Very low140 Ų140136.5 Ų136.575%0.74976%0.763SS**  trans-79.9166.6-178.6-61.4-65.2000114
160N27.4Very low30.8Very low164 Ų164139.6 Ų139.688%0.87777%0.772SS**  trans56.296.9149.9-63.8-16000119.3
161G29.7Very low30.6Very low72 Ų72136.8 Ų136.874%0.74277%0.766SS**  trans-162.2137.8154.500000108.7
162A30.2Very low30.4Very low86 Ų86137.1 Ų137.171%0.71177%0.768SS**  cis74.5105.23400000114.1M729A162-M729 HydrophobicContact CB-CE 3.87Å
163G27.5Very low30.1Very low72 Ų72137.6 Ų137.674%0.74277%0.768SS**  trans109.7144.5157.600000117.9
164D28.4Very low29.8Very low117 Ų117140.1 Ų140.163%0.62677%0.773SS**  trans68.2124141.4-8326.7000124.7
165R27.9Very low29.8Very low204 Ų204143.3 Ų143.377%0.7778%0.782SS**  trans79.3-179.3138.3-64.2171.2-157.6-121.6-5.3118.9
166H33.1Very low30Very low175 Ų175143.8 Ų143.881%0.8178%0.78SS**  trans71.683.4-170.9-49.3-75000112.2
167S29Very low30Very low102 Ų102147.8 Ų147.871%0.71379%0.786SS**  64.299.150.7-45.80000114.1Q169S167-Q169 PolarHBondContact O-N 3.08Å
168L29.4Very low30.6Very low177 Ų177146.6 Ų146.693%0.92779%0.787SS**  trans36.973.4147.9-59.5177.8000118.4
169Q28.8Very low30.6Very low186 Ų186142.3 Ų142.387%0.86978%0.782SS**  trans-156.1112.1152.3-110.3155.135.500111S167S167-Q169 PolarHBondContact O-N 3.08Å
170N31.8Very low30.6Very low169 Ų169142.6 Ų142.690%0.90478%0.783SS**  trans-163.163.3166.1-101.1-49.9000109
171S30.5Very low31Very low94 Ų94142.9 Ų142.966%0.65778%0.784SS**  trans-75.6137.5161.5-174.40000108.1F173S171-F173 PolarHBondContact O-N 3.39Å
172P32.7Very low31Very low113 Ų113147.2 Ų147.273%0.73479%0.785SS**SBendtrans-8137-172.134.8-37.8000113.8
173F31Very low31.4Very low167 Ų167150.3 Ų150.373%0.73280%0.795SS**SBendtrans-139.6142176.2-70.1-80000110.7S171S171-F173 PolarHBondContact O-N 3.39Å
174Y26.6Very low31.5Very low202 Ų202154 Ų15479%0.79279%0.793SS**  trans65.8118.5-170.1-72.6-95000116.9
175N33.3Very low31.7Very low167 Ų167156.2 Ų156.289%0.89380%0.804SS**  trans-151133.5139.5-115.5-54.4000109.1
176H33.3Very low31.9Very low157 Ų157153.2 Ų153.273%0.72780%0.798SS**PPolyproline II helixtrans-85.1148.7-179.9-79.5-87000111.4
177Y32.9Very low31.8Very low230 Ų230155.4 Ų155.490%0.90280%0.799SS**PPolyproline II helixtrans-71.4132.9166-101.2-94.8000110.7
178P36.4Very low32.2Very low122 Ų122157.9 Ų157.979%0.79280%0.8SS**PPolyproline II helixtrans-80.1131166.632.4-31.6000110.1
179G32.9Very low32.3Very low72 Ų72160.1 Ų160.174%0.74280%0.798SS**  trans-117.8109-18000000113.3
180N30.2Very low32.7Very low147 Ų147157.4 Ų157.479%0.78680%0.796SS**  trans-168131.4143.2-131.2-63.5000112.4
181L36Very low32.8Very low169 Ų169152.6 Ų152.689%0.88579%0.786SS**  trans-162.8139.3144.4-113.2169.5000108.7
182Q29.8Very low33Very low163 Ų163156 Ų15676%0.76280%0.796SS**  trans-95.1144.5-166.8-57.9152.8-67.200112.1
183T36.7Very low33Very low151 Ų151156 Ų15693%0.92680%0.799SS**  trans-135150.3140.847.30000109.2
184H30.6Very low33.3Very low151 Ų151154.5 Ų154.570%0.69981%0.805SS**  trans-134.6123.7-157.8164.441.8000111.8
185L33.6Very low33.5Very low163 Ų163148.2 Ų148.285%0.85380%0.803SS**  trans-144.6149.1157.5-76177.6000109.3
186Q30.7Very low33.9Very low141 Ų141146.6 Ų146.666%0.65980%0.801SS**  -171.1117.1-55.3162.2170.9-1.300107.4
187R31.9Very low33.7Very low220 Ų220144.1 Ų144.183%0.8381%0.808SS**  trans-168.2118147.1-111.6-173.1-91.1-99.41.7112.2
188Q36.6Very low33.5Very low155 Ų155136 Ų13672%0.72479%0.794SS**  trans48.8106.3147.1-61.9160.4-77.700117.9
189Y32.4Very low33.3Very low224 Ų224136.6 Ų136.688%0.87880%0.795SS**  63.2144.874.2-74.8-61.8000114.9
190P36.5Very low33.2Very low129 Ų129139.1 Ų139.184%0.83879%0.791SS**  cis-119.7-177.3-39.236.7-20.7000110.3
191G33.4Very low33.4Very low67 Ų67140.5 Ų140.569%0.69179%0.791SS**  cis162.7-163.62.300000110.3
192L35.6Very low33.4Very low167 Ų167136.4 Ų136.487%0.87478%0.776SS**  trans72.786.6165.2-54-178.4000120.4
193S32Very low33.6Very low112 Ų112136.2 Ų136.278%0.78378%0.781SS**  trans62.6135.2132.961.90000122.8
194P37.5Very low33.6Very low135 Ų135132.4 Ų132.488%0.87777%0.771SS**  trans-9215416937.5-33.8000113.5
195G31.5Very low34Very low71 Ų71132 Ų13273%0.73278%0.779SS**  trans-163.3135.517000000111
196P41Very low34.1Very low132 Ų132127.9 Ų127.986%0.85778%0.776SS**  trans-100.9-179.2-171.239.7-37.2000114.5
197A29.4Very low34.3Very low106 Ų106124 Ų12488%0.87677%0.774SS**  trans88.9137.4166.200000118.1
198G29.3Very low34.3Very low59 Ų59124 Ų12461%0.60878%0.78SS**  trans109.412315700000116.7
199T31.7Very low34.2Very low134 Ų134119.9 Ų119.982%0.82278%0.779SS**  trans69.2147.1140.566.70000119.5
200L31.5Very low34Very low125 Ų125115.5 Ų115.565%0.65478%0.776SS**  cis-165.5165.4-12.8-109.5167000108.1
201F32.8Very low33.8Very low176 Ų176114.7 Ų114.777%0.77277%0.769SS**  trans68.4148.9161.5-55.3-47.4000118.3
202S36Very low33.6Very low84 Ų84116.3 Ų116.359%0.58777%0.77SS**  cis-161.2151.1-11.7-109.80000112.5
203N35.4Very low33.4Very low159 Ų159116.9 Ų116.985%0.8577%0.768SS**  trans61141161.9-52.7-19.2000116.7
204G36.6Very low33.2Very low70 Ų70117.5 Ų117.572%0.72276%0.763SS**  cis151.21625.100000108.6
205V38.1Very low32.9Very low143 Ų143117.3 Ų117.387%0.86775%0.754SS**  cis-152.7140.6-0.5-179.40000108
206G36.1Very low32.8Very low76 Ų76120.6 Ų120.678%0.78475%0.753SS**  trans76.1130.2152.400000118.5
207G35.2Very low32.2Very low61 Ų61119 Ų11963%0.62974%0.744SS**  cis155.8154.6-11.500000113.9
208F31.4Very low32.3Very low218 Ų218122 Ų12296%0.95674%0.738SS**  trans65137.3165.9-53.4-81.5000117.2
209G34.5Very low32.3Very low69 Ų69126.6 Ų126.671%0.71175%0.749SS**  cis-164.7164.1-2.700000113.8
210T29.5Very low32.2Very low132 Ų132123.4 Ų123.481%0.8174%0.742SS**  trans-62.9165.6165.654.40000109.1
211T31Very low32Very low112 Ų112125 Ų12569%0.68775%0.75SS**  -177.4126.667.7-55.50000110.9
212S29.6Very low31.8Very low101 Ų101126.1 Ų126.171%0.70675%0.751SS**  trans43152.6145.9-49.20000123.1
213Q32Very low31.6Very low180 Ų180130 Ų13084%0.84176%0.76SS**  trans75.3146.2164.6-49.1-155.448.100114.6
214N27.1Very low31.2Very low125 Ų125129.2 Ų129.267%0.66876%0.756SS**  cis171.8171.8-14.9-173.32.1000102.6
215L30.4Very low31.1Very low131 Ų131130.8 Ų130.869%0.68676%0.762SS**  trans73.4120.3164.3-56.5145.7000117.9
216I30Very low30.6Very low140 Ų140128.2 Ų128.272%0.71876%0.755SS**  74.593.2128.7-60.4174.8000118.4
217S29Very low30.4Very low97 Ų97134.3 Ų134.368%0.67876%0.761SS**  68.5129.7115.9-560000123.5
218K31.5Very low30.1Very low170 Ų170135.9 Ų135.974%0.73976%0.762SS**  trans72.8118134.6-73.4179.2178.3179.60120.6
219N28.9Very low30.2Very low156 Ų156133.1 Ų133.183%0.83476%0.756SS**  trans77.7161.8137.1-55.88000118.7
220G29.1Very low30.2Very low66 Ų66135.5 Ų135.568%0.6876%0.76SS**  trans98.296.7-171.200000110.7
221L28.2Very low30.1Very low159 Ų159132.5 Ų132.583%0.83275%0.754SS**  59.8103.271.4-58.7175.4000111.3
222Y28.4Very low30.4Very low199 Ų199137.5 Ų137.578%0.7877%0.767SS**  69.2113.289.5-103.8-83000113
223Q31.1Very low30.6Very low165 Ų165144 Ų14477%0.77178%0.776SS**  -168151.8109.9-102.3167.1-0.200111.7
224D28.5Very low30.8Very low144 Ų144140.6 Ų140.677%0.7777%0.769SS**  trans-80.8152.6178.6-70.4-85.8000112.6
225A33.4Very low31.2Very low102 Ų102140.5 Ų140.584%0.84377%0.773SS**  trans-153.5103.3152.400000109.6
226A28.3Very low31.2Very low89 Ų89141.5 Ų141.574%0.73678%0.779SS**  trans-95.6138.6178.800000111.7
227F30.8Very low31.3Very low204 Ų204139.8 Ų139.890%0.89578%0.78SS**  trans-141.5101.4162.5-96.1-73.9000113.1
228S29.7Very low31.6Very low94 Ų94140.4 Ų140.466%0.65779%0.785SS**  trans17120145.3-56.80000122.5
229L32.9Very low31.7Very low160 Ų160137.4 Ų137.484%0.83879%0.785SS**  65163.2125.5-62.7166.7000119.8
230P34.8Very low31.9Very low120 Ų120135.7 Ų135.778%0.77978%0.78SS**  cis-135.7160.5-41.136.6-21.7000114.4
231G28.4Very low31.9Very low68 Ų68143.2 Ų143.270%0.70179%0.79SS**  trans120.3167.4148.300000118.5
232F35.8Very low31.9Very low218 Ų218141 Ų14196%0.95679%0.786SS**  trans73.5130.8178.3-64.3-82.6000119.5
233R34.7Very low32Very low238 Ų238136.9 Ų136.990%0.89878%0.784SS**  trans-70.9166.5166.8-99.2-179.7174.7-167.5-0.8110.2
234P35.3Very low31.8Very low107 Ų107137.6 Ų137.670%0.69579%0.787SS**  cis-152.5173.84343.3-21.9000120.3
235T35.6Very low31.9Very low123 Ų123141.8 Ų141.876%0.75579%0.792SS**  trans40.393.9147.454.40000122
236N30.3Very low31.8Very low152 Ų152143.9 Ų143.981%0.81378%0.784SS**  33115.7108.4-168.324.9000120.2
237S33.8Very low31.9Very low104 Ų104147.6 Ų147.673%0.72779%0.791SS**  -176.9128.6116.9470000114.4
238S34.3Very low31.8Very low111 Ų111146.3 Ų146.378%0.77679%0.785SS**  trans33.5145.1148.555.70000123.1
239S32.7Very low32Very low107 Ų107147.2 Ų147.275%0.74879%0.789SS**  cis-144.411312.743.90000115.1Y241S239-Y241 PolarHBondContact O-N 3.22Å
240T33.6Very low31.8Very low119 Ų119145.4 Ų145.473%0.7379%0.785SS**  46.571.1126.8-31.70000119.5C242T240-C242 VanDerWaalsContact CG2-SG 3.53Å
241Y28.9Very low31.8Very low225 Ų225147.1 Ų147.188%0.88279%0.786SS**  -69.9143.7126.2-109.6-108.6000108.2S239S239-Y241 PolarHBondContact O-N 3.22Å
242C28.3Very low31.7Very low113 Ų113151.7 Ų151.776%0.76479%0.789SS**  trans-124.4104164-830000109.5T240T240-C242 VanDerWaalsContact CG2-SG 3.53Å
243P30.4Very low31.4Very low111 Ų111147 Ų14772%0.72178%0.783SS**  trans-90.2167.5-178.236.4-35.5000113.2
244Q27.3Very low31.1Very low180 Ų180139.5 Ų139.584%0.84177%0.767SS**  trans-66124.2171174.4-176.6-700112.3
245R30.7Very low30.9Very low232 Ų232141.6 Ų141.688%0.87577%0.767SS**  trans-157.9127.6155.9-99.3172.4-178-161.6-3.3106.7
246E30.3Very low30.8Very low146 Ų146142 Ų14268%0.68277%0.772SS**  57.890.564.6-70.4-65.4160.700112.5
247L31.3Very low30.8Very low168 Ų168139.5 Ų139.588%0.8877%0.767SS**  trans-17094.9154.5-108.9170.7000110.2
248F28Very low30.7Very low176 Ų176141.8 Ų141.877%0.77277%0.77SS**  trans-79.3135.2162.8-75.5-94000109.8T250F248-T250 PolarHBondContact O-N 3.15Å
249P35.3Very low30.6Very low114 Ų114141.6 Ų141.674%0.7477%0.769SS**  trans-82.1101.1153.631.4-27000108.7I251P249-I251 PolarHBondContact O-N 3.13Å; P249-I251 VanDerWaalsContact O-N 3.16Å
250T28.7Very low30.4Very low122 Ų122142.1 Ų142.175%0.74877%0.771SS**  trans-67.5110.6172.3-57.10000109.7F248F248-T250 PolarHBondContact O-N 3.15Å
251I33.6Very low30.3Very low155 Ų155145.5 Ų145.580%0.79578%0.779SS**  trans-125.1126.5165.6-60.5-178.2000107.1P249P249-I251 PolarHBondContact O-N 3.13Å; P249-I251 VanDerWaalsContact O-N 3.16Å
252Q27.8Very low30.6Very low165 Ų165140.9 Ų140.977%0.77177%0.769SS**  trans-92.8176.2178.6-62.7173.6-79.500110.5
253S28.9Very low30.7Very low118 Ų118146 Ų14683%0.82578%0.779SS**  trans71.1155.2178.390.90000115.9
254S28Very low31.1Very low81 Ų81146 Ų14657%0.56678%0.777SS**  cis-165.8167.8-48.446.20000108.2
255H32Very low31.7Very low152 Ų152140 Ų14070%0.70476%0.762SS**  trans68.9122.6175.2-47.2-72.5000117.2
256P32.5Very low32.8Very low132 Ų132134.4 Ų134.486%0.85776%0.757SS**  trans-99.5112.9171.334.6-27.1000111.6
257S30.2Very low34.3Very low99 Ų99128.9 Ų128.969%0.69274%0.739SS**  trans-153.1142.416658.40000113.5
258N31.6Very low36.5Very low151 Ų151122.6 Ų122.681%0.80771%0.706SS**  trans67103.8157.4-58.2-11.8000120.3
259S31.5Very low39.1Very low107 Ų107118.5 Ų118.575%0.74869%0.691SS**  58.588.3122.7-176.40000119.3
260C29.8Very low41.5Very low118 Ų118119.5 Ų119.580%0.79769%0.688SS**  trans-121.874.3153.1-800000110.5N262C260-N262 PolarHBondContact O-N 2.99Å
261H31.5Very low44.3Very low191 Ų191120.4 Ų120.488%0.88468%0.684SS**  trans-62.9105.1168.5-111.6-64.9000109.4
262N34.6Very low47Very low127 Ų127116.2 Ų116.268%0.67966%0.663SS**  trans-127.8142.3169.8-84.8-74.5000109.4C260 V264C260-N262 PolarHBondContact O-N 2.99Å; N262-V264 PolarHBondContact O-N 2.98Å
263F30.7Very low50Low222 Ų222110.2 Ų110.297%0.97463%0.633SS**  trans-62.7108.9-177.3-93.5-118.9000111.2
264V37.9Very low53Low110 Ų110109.2 Ų109.267%0.66762%0.618SS**  trans-122139.8167.2-177.30000107.7N262 L269N262-V264 PolarHBondContact O-N 2.98Å; V264-L269 HydrophobicContact CG1-CD2 3.9Å
265G40.6Very low56.1Low53 Ų53110.8 Ų110.855%0.54662%0.616SS.*  trans-64.7169.9-170.700000114.7G267G265-G267 PolarHBondContact O-N 3.09Å
266P54.8Low59Low116 Ų116106.1 Ų106.175%0.75359%0.593SS**SBendtrans-75.336.4-166.833.7-39.6000115.1
267G61.4Low62Low30 Ų30102 Ų10231%0.30956%0.561SS.*SBendtrans-103.7147.1171.900000111.2G265 L269G265-G267 PolarHBondContact O-N 3.09Å; G267-L269 PolarHBondContact O-N 3.43Å
268L76.6Confident65Low36 Ų36100.1 Ų100.119%0.18855%0.551CS.*PPolyproline II helixtrans-64.9123.7174.5-176.969.7000108.9D272 R273 A326 L329 P380L268-D272 HydrophobicContact CD1-CB 3.6Å; L268-D272 HydrophobicContact CG-CB 4.09Å; L268-R273 HydrophobicContact CD2-CB 3.83Å; L268-R273 HydrophobicContact CD2-CG 4.32Å; L268-R273 HydrophobicContact CG-CB 4.21Å; L268-A326 PolarHBondContact N-O 3.11Å; L268-A326 VanDerWaalsContact N-O 3.09Å; L268-L329 HydrophobicContact CD2-CD1 4.38Å; L268-P380 HydrophobicContact CD1-CG 3.92Å; L268-P380 HydrophobicContact CD2-CG 3.7Å; L268-P380 HydrophobicContact CG-CG 4.44Å
269L83.9Confident68Low89 Ų8995.5 Ų95.547%0.46653%0.525SS..PPolyproline II helixtrans-60.6150.9-178.5-56.1176.2000110V264 G267 Q271 D272 R273V264-L269 HydrophobicContact CG1-CD2 3.9Å; G267-L269 PolarHBondContact O-N 3.43Å; L269-Q271 PolarHBondContact O-N 3.39Å; L269-D272 VanDerWaalsContact CB-OD2 3.31Å; L269-D272 WeakPolarHBondContact CB-OD2 3.26Å; L269-D272 PolarHBondContact O-N 3.03Å; L269-D272 VanDerWaalsContact O-N 3.17Å; L269-R273 WeakPolarHBondContact O-CB 3.34Å; L269-R273 PolarHBondContact O-N 3.3Å
270M85.7Confident71.1Confident136 Ų13690.4 Ų90.467%0.6749%0.49SS*.Hα-helixtrans-59-34.9-179.8-171.863.775.900111.6R273 L274M270-R273 PolarHBondContact O-N 2.82Å; M270-L274 HydrophobicContact CG-CD1 4.16Å; M270-L274 WeakPolarHBondContact O-CB 3.43Å; M270-L274 VanDerWaalsContact O-CG 3.23Å; M270-L274 WeakPolarHBondContact O-CG 3.47Å; M270-L274 PolarHBondContact O-N 2.98Å
271Q87Confident74.1Confident141 Ų14190.8 Ų90.866%0.65948%0.48SS*.Hα-helixtrans-64.1-47.8177-170.961.717.400111.9L269 R273 L274 H275L269-Q271 PolarHBondContact O-N 3.39Å; Q271-R273 VanDerWaalsContact C-N 3.33Å; Q271-R273 PolarHBondContact O-N 3.35Å; Q271-L274 PolarHBondContact O-N 2.91Å; Q271-H275 WeakPolarHBondContact O-CB 3.39Å; Q271-H275 PolarHBondContact O-N 3.42Å
272D89.4Confident77.1Confident67 Ų6790.5 Ų90.536%0.35848%0.476SS..Hα-helixtrans-65.4-39.5178.8-48.2-27.9000110.9L268 L269 L274 H275 Y276L268-D272 HydrophobicContact CD1-CB 3.6Å; L268-D272 HydrophobicContact CG-CB 4.09Å; L269-D272 VanDerWaalsContact CB-OD2 3.31Å; L269-D272 WeakPolarHBondContact CB-OD2 3.26Å; L269-D272 PolarHBondContact O-N 3.03Å; L269-D272 VanDerWaalsContact O-N 3.17Å; D272-L274 VanDerWaalsContact C-N 3.35Å; D272-L274 PolarHBondContact O-N 3.13Å; D272-H275 WeakPolarHBondContact O-CB 3.46Å; D272-H275 PolarHBondContact O-N 3.22Å; D272-Y276 WeakPolarHBondContact O-CB 3.34Å; D272-Y276 WeakPolarHBondContact O-CD2 3.43Å; D272-Y276 PolarHBondContact O-N 2.96Å
273R91.7Very high79.9Confident39 Ų3989.5 Ų89.515%0.14747%0.467CS..Hα-helixtrans-61.1-41.7174.3-176.2173.5-70.1-80.61112L268 L269 M270 Q271 Y277 A326 Y328L268-R273 HydrophobicContact CD2-CB 3.83Å; L268-R273 HydrophobicContact CD2-CG 4.32Å; L268-R273 HydrophobicContact CG-CB 4.21Å; L269-R273 WeakPolarHBondContact O-CB 3.34Å; L269-R273 PolarHBondContact O-N 3.3Å; M270-R273 PolarHBondContact O-N 2.82Å; Q271-R273 VanDerWaalsContact C-N 3.33Å; Q271-R273 PolarHBondContact O-N 3.35Å; R273-Y277 HydrophobicContact CG-CD2 4.23Å; R273-Y277 HydrophobicContact CG-CE2 3.7Å; R273-Y277 PolarHBondContact NH1-OH 2.99Å; R273-Y277 WeakPolarHBondContact O-CB 3.49Å; R273-Y277 WeakPolarHBondContact O-CD2 3.29Å; R273-Y277 VanDerWaalsContact O-CG 3.23Å; R273-Y277 PolarHBondContact O-N 3.13Å; R273-A326 PolarHBondContact NH2-O 3.22Å; R273-Y328 VanDerWaalsContact CZ-O 3.28Å; R273-Y328 PolarHBondContact NH1-O 2.76Å; R273-Y328 PolarHBondContact NH2-O 3.1Å
274L91.1Very high82.9Confident96 Ų9681.7 Ų81.750%0.50345%0.449SS..Hα-helixtrans-69.4-40.2175.1-72.2169.8000111.9M270 Q271 D272 Y277 A278M270-L274 HydrophobicContact CG-CD1 4.16Å; M270-L274 WeakPolarHBondContact O-CB 3.43Å; M270-L274 VanDerWaalsContact O-CG 3.23Å; M270-L274 WeakPolarHBondContact O-CG 3.47Å; M270-L274 PolarHBondContact O-N 2.98Å; Q271-L274 PolarHBondContact O-N 2.91Å; D272-L274 VanDerWaalsContact C-N 3.35Å; D272-L274 PolarHBondContact O-N 3.13Å; L274-Y277 PolarHBondContact O-N 3.3Å; L274-A278 PolarHBondContact O-N 2.93Å
275H93.1Very high85.7Confident115 Ų11577.2 Ų77.253%0.53242%0.421SS..Hα-helixtrans-59.2-50174.2178.978.5000111.5Q271 D272 Y277 A278 I279Q271-H275 WeakPolarHBondContact O-CB 3.39Å; Q271-H275 PolarHBondContact O-N 3.42Å; D272-H275 WeakPolarHBondContact O-CB 3.46Å; D272-H275 PolarHBondContact O-N 3.22Å; H275-Y277 PolarHBondContact O-N 3.36Å; H275-A278 PolarHBondContact O-N 3.01Å; H275-A278 VanDerWaalsContact O-N 3.17Å; H275-I279 WeakPolarHBondContact NE2-CD1 3.49Å; H275-I279 WeakPolarHBondContact O-CG1 3.31Å; H275-I279 PolarHBondContact O-N 2.73Å
276Y93.9Very high88.3Confident53 Ų5375.2 Ų75.221%0.20840%0.397CS..Hα-helixtrans-64.3-34.8175.7-85.4-61.3000113.3D272 I279 A280 L329 P380 E381 M384D272-Y276 WeakPolarHBondContact O-CB 3.34Å; D272-Y276 WeakPolarHBondContact O-CD2 3.43Å; D272-Y276 PolarHBondContact O-N 2.96Å; Y276-I279 HydrophobicContact CD1-CD1 4.46Å; Y276-I279 PolarHBondContact O-N 3.1Å; Y276-A280 VanDerWaalsContact O-CB 3.29Å; Y276-A280 WeakPolarHBondContact O-CB 3.37Å; Y276-A280 PolarHBondContact O-N 2.84Å; Y276-L329 HydrophobicContact CG-CD2 4.37Å; Y276-P380 HydrophobicContact CD1-CB 4Å; Y276-P380 HydrophobicContact CD2-CB 3.47Å; Y276-P380 VanDerWaalsContact CD2-CB 3.47Å; Y276-P380 HydrophobicContact CD2-CG 3.9Å; Y276-P380 HydrophobicContact CE1-CB 3.89Å; Y276-P380 HydrophobicContact CE2-CB 3.3Å; Y276-P380 HydrophobicContact CE2-CG 3.79Å; Y276-P380 HydrophobicContact CG-CB 3.81Å; Y276-E381 PolarHBondContact OH-OE1 2.79Å; Y276-M384 HydrophobicContact CD1-CG 4.42Å
277Y94.8Very high90.2Very high47 Ų4770.2 Ų70.218%0.18437%0.365CS..Hα-helixtrans-66.7-37.1171.4-72.2-21.8000112.9R273 L274 H275 A280 Q281 V287 L329R273-Y277 HydrophobicContact CG-CD2 4.23Å; R273-Y277 HydrophobicContact CG-CE2 3.7Å; R273-Y277 PolarHBondContact NH1-OH 2.99Å; R273-Y277 WeakPolarHBondContact O-CB 3.49Å; R273-Y277 WeakPolarHBondContact O-CD2 3.29Å; R273-Y277 VanDerWaalsContact O-CG 3.23Å; R273-Y277 PolarHBondContact O-N 3.13Å; L274-Y277 PolarHBondContact O-N 3.3Å; H275-Y277 PolarHBondContact O-N 3.36Å; Y277-A280 PolarHBondContact O-N 2.67Å; Y277-Q281 WeakPolarHBondContact O-CG 3.05Å; Y277-Q281 PolarHBondContact O-N 3.35Å; Y277-V287 HydrophobicContact CD1-CB 3.83Å; Y277-V287 HydrophobicContact CD1-CG1 3.81Å; Y277-V287 HydrophobicContact CD1-CG2 4.39Å; Y277-V287 HydrophobicContact CE1-CB 4.31Å; Y277-V287 HydrophobicContact CE1-CG1 4.39Å; Y277-V287 HydrophobicContact CG-CB 4.17Å; Y277-V287 HydrophobicContact CG-CG1 4.47Å; Y277-V287 HydrophobicContact CG-CG2 4.27Å; Y277-L329 HydrophobicContact CD1-CD1 3.72Å; Y277-L329 HydrophobicContact CD1-CG 4.46Å; Y277-L329 HydrophobicContact CE1-CD1 3.43Å; Y277-L329 VanDerWaalsContact CE1-CD1 3.43Å; Y277-L329 HydrophobicContact CE1-CG 4.11Å
278A94.1Very high91.6Very high58 Ų5870.3 Ų70.348%0.47937%0.366SS..Hα-helixtrans-66-40.7174.800000111.9L274 H275 K282L274-A278 PolarHBondContact O-N 2.93Å; H275-A278 PolarHBondContact O-N 3.01Å; H275-A278 VanDerWaalsContact O-N 3.17Å; A278-K282 PolarHBondContact O-N 3.47Å; A278-K282 VanDerWaalsContact O-N 3.07Å
279I94.5Very high92.2Very high54 Ų5472.5 Ų72.528%0.27739%0.389SS..Hα-helixtrans-60.8-50.1171.3-68.6170.4000110.3H275 Y276 Q281 K282 H283 M384H275-I279 WeakPolarHBondContact NE2-CD1 3.49Å; H275-I279 WeakPolarHBondContact O-CG1 3.31Å; H275-I279 PolarHBondContact O-N 2.73Å; Y276-I279 HydrophobicContact CD1-CD1 4.46Å; Y276-I279 PolarHBondContact O-N 3.1Å; I279-Q281 VanDerWaalsContact C-N 3.33Å; I279-Q281 PolarHBondContact O-N 3.42Å; I279-K282 WeakPolarHBondContact O-CB 3.29Å; I279-K282 PolarHBondContact O-N 3.1Å; I279-K282 VanDerWaalsContact O-N 3.07Å; I279-H283 PolarHBondContact O-CD2 2.97Å; I279-H283 VanDerWaalsContact O-CD2 3.24Å; I279-H283 PolarHBondContact O-N 2.93Å; I279-H283 VanDerWaalsContact O-N 3.08Å; I279-M384 HydrophobicContact CG2-CE 3.71Å; I279-M384 HydrophobicContact CG2-SD 4.42Å
280A95.3Very high92.6Very high0 Ų071.9 Ų71.90%038%0.384CS..Hα-helixtrans-58.7-41.8-179.900000112.7Y276 Y277 H283 G284 F285 V287 L331 M384Y276-A280 VanDerWaalsContact O-CB 3.29Å; Y276-A280 WeakPolarHBondContact O-CB 3.37Å; Y276-A280 PolarHBondContact O-N 2.84Å; Y277-A280 PolarHBondContact O-N 2.67Å; A280-H283 CarbonylContact O-C 3.24Å; A280-H283 PolarHBondContact O-N 2.78Å; A280-G284 PolarHBondContact O-N 2.87Å; A280-F285 HydrophobicContact CB-CB 4.19Å; A280-F285 HydrophobicContact CB-CD2 4.24Å; A280-F285 WeakPolarHBondContact O-CB 3.3Å; A280-F285 PolarHBondContact O-N 3.04Å; A280-V287 HydrophobicContact CB-CG1 3.75Å; A280-L331 HydrophobicContact CB-CD2 3.54Å; A280-M384 HydrophobicContact CB-SD 4.07Å
281Q93.9Very high93Very high126 Ų12665.6 Ų65.659%0.58935%0.353SS*.Hα-helixtrans-62.4-40.7173.5-74175.75.900112.4Y277 I279 H283 G284 V287Y277-Q281 WeakPolarHBondContact O-CG 3.05Å; Y277-Q281 PolarHBondContact O-N 3.35Å; I279-Q281 VanDerWaalsContact C-N 3.33Å; I279-Q281 PolarHBondContact O-N 3.42Å; Q281-H283 PolarHBondContact O-N 3.19Å; Q281-G284 PolarHBondContact O-N 2.7Å; Q281-V287 HydrophobicContact CG-CG2 3.56Å; Q281-V287 VanDerWaalsContact NE2-CG2 3.27Å
282K94.3Very high93.1Very high186 Ų18663.2 Ų63.281%0.80934%0.342SS*.Hα-helixtrans-61.4-30.2174.9-174.4-176.6176.3-174.60112.4A278 I279 G284A278-K282 PolarHBondContact O-N 3.47Å; A278-K282 VanDerWaalsContact O-N 3.07Å; I279-K282 WeakPolarHBondContact O-CB 3.29Å; I279-K282 PolarHBondContact O-N 3.1Å; I279-K282 VanDerWaalsContact O-N 3.07Å; K282-G284 VanDerWaalsContact C-N 3.34Å
283H93.9Very high93.1Very high105 Ų10566.6 Ų66.649%0.48635%0.35SS..THydrogen-bonded Turntrans-85.82.2172.4-72.6-78.3000114.2I279 A280 Q281 F285I279-H283 PolarHBondContact O-CD2 2.97Å; I279-H283 VanDerWaalsContact O-CD2 3.24Å; I279-H283 PolarHBondContact O-N 2.93Å; I279-H283 VanDerWaalsContact O-N 3.08Å; A280-H283 CarbonylContact O-C 3.24Å; A280-H283 PolarHBondContact O-N 2.78Å; Q281-H283 PolarHBondContact O-N 3.19Å; H283-F285 VanDerWaalsContact C-N 3.34Å; H283-F285 HydrophobicContact CB-CD2 3.87Å; H283-F285 HydrophobicContact CB-CE2 3.62Å; H283-F285 HydrophobicContact CB-CG 4.44Å; H283-F285 HydrophobicContact CB-CZ 4Å
284G93.5Very high93Very high58 Ų5865.3 Ų65.360%0.59835%0.345SS*.THydrogen-bonded Turntrans77.714.3-179.900000114.8A280 Q281 K282A280-G284 PolarHBondContact O-N 2.87Å; Q281-G284 PolarHBondContact O-N 2.7Å; K282-G284 VanDerWaalsContact C-N 3.34Å
285F96.7Very high92.9Very high16 Ų1661.8 Ų61.87%0.0733%0.326CS..  trans-81.9142.9174.7-52.6-39.8000111.4A280 H283 L331 V333 M384 A387 A391A280-F285 HydrophobicContact CB-CB 4.19Å; A280-F285 HydrophobicContact CB-CD2 4.24Å; A280-F285 WeakPolarHBondContact O-CB 3.3Å; A280-F285 PolarHBondContact O-N 3.04Å; H283-F285 VanDerWaalsContact C-N 3.34Å; H283-F285 HydrophobicContact CB-CD2 3.87Å; H283-F285 HydrophobicContact CB-CE2 3.62Å; H283-F285 HydrophobicContact CB-CG 4.44Å; H283-F285 HydrophobicContact CB-CZ 4Å; F285-L331 HydrophobicContact CD2-CD1 4.45Å; F285-V333 HydrophobicContact CD1-CG2 4.16Å; F285-V333 HydrophobicContact CE1-CG2 4.36Å; F285-M384 HydrophobicContact CD2-CE 4.22Å; F285-M384 HydrophobicContact CD2-SD 4.17Å; F285-M384 HydrophobicContact CE2-CE 3.82Å; F285-M384 HydrophobicContact CE2-SD 4.23Å; F285-A387 HydrophobicContact CD1-CB 4.19Å; F285-A387 HydrophobicContact CD2-CB 3.78Å; F285-A387 HydrophobicContact CE1-CB 3.97Å; F285-A387 HydrophobicContact CE2-CB 3.52Å; F285-A387 HydrophobicContact CG-CB 4.13Å; F285-A387 HydrophobicContact CZ-CB 3.64Å; F285-A391 HydrophobicContact CE1-CB 4.02Å
286I95.3Very high92.4Very high11 Ų1159.7 Ų59.76%0.05632%0.316CS..BIsolated β-bridgetrans-80128.7-177.9-57.9176.1000109.6E290 L291 I294 L331 G332 R334 V373I286-E290 HydrophobicContact CG2-CB 3.79Å; I286-E290 HydrophobicContact CG2-CG 3.52Å; I286-L291 HydrophobicContact CG2-CB 4.12Å; I286-L291 HydrophobicContact CG2-CD1 4.38Å; I286-I294 HydrophobicContact CD1-CD1 3.78Å; I286-I294 HydrophobicContact CG2-CD1 3.99Å; I286-L331 CarbonylContact O-C 3.46Å; I286-G332 PolarHBondContact N-O 2.89Å; I286-G332 PolarHBondContact O-N 3.24Å; I286-R334 HydrophobicContact CD1-CB 4.13Å; I286-V373 HydrophobicContact CD1-CG1 4.21Å; I286-V373 HydrophobicContact CD1-CG2 3.89Å
287V94.6Very high91.7Very high12 Ų1261.6 Ų61.67%0.07333%0.33CS..  trans-140.4170.2-179.6-58.10000111.9Y277 A280 Q281 A289 L331Y277-V287 HydrophobicContact CD1-CB 3.83Å; Y277-V287 HydrophobicContact CD1-CG1 3.81Å; Y277-V287 HydrophobicContact CD1-CG2 4.39Å; Y277-V287 HydrophobicContact CE1-CB 4.31Å; Y277-V287 HydrophobicContact CE1-CG1 4.39Å; Y277-V287 HydrophobicContact CG-CB 4.17Å; Y277-V287 HydrophobicContact CG-CG1 4.47Å; Y277-V287 HydrophobicContact CG-CG2 4.27Å; A280-V287 HydrophobicContact CB-CG1 3.75Å; Q281-V287 HydrophobicContact CG-CG2 3.56Å; Q281-V287 VanDerWaalsContact NE2-CG2 3.27Å; V287-A289 PolarHBondContact O-N 3.04Å; V287-L331 HydrophobicContact CG1-CD2 3.49Å; V287-L331 VanDerWaalsContact CG1-CD2 3.49Å
288G89.2Confident90.6Very high32 Ų3260.4 Ų60.433%0.3333%0.329SS..Hα-helixtrans58-133.617200000113.8E290 L291 E292G288-E290 VanDerWaalsContact C-N 3.28Å; G288-E290 PolarHBondContact O-N 3.39Å; G288-L291 PolarHBondContact O-N 3.06Å; G288-L291 VanDerWaalsContact O-N 3.11Å; G288-E292 PolarHBondContact O-N 2.92Å
289A90.3Very high89.5Confident82 Ų8262.9 Ų62.968%0.67833%0.326SS*.Hα-helixtrans-61.5-29.7-171.600000114.4V287 R293V287-A289 PolarHBondContact O-N 3.04Å; A289-R293 WeakPolarHBondContact O-CG 3.5Å; A289-R293 PolarHBondContact O-N 3.12Å
290E92.3Very high88.2Confident76 Ų7668.5 Ų68.536%0.35534%0.343SS..Hα-helixtrans-73.3-41.5174.5-179.1160.5-126.600111.9I286 G288 E292 R293 I294I286-E290 HydrophobicContact CG2-CB 3.79Å; I286-E290 HydrophobicContact CG2-CG 3.52Å; G288-E290 VanDerWaalsContact C-N 3.28Å; G288-E290 PolarHBondContact O-N 3.39Å; E290-E292 VanDerWaalsContact C-N 3.3Å; E290-E292 PolarHBondContact O-N 3.39Å; E290-R293 VanDerWaalsContact CG-NH2 3.28Å; E290-R293 WeakPolarHBondContact O-CB 3.14Å; E290-R293 PolarHBondContact O-N 2.85Å; E290-R293 VanDerWaalsContact O-N 3.15Å; E290-R293 IonicContact OE1-NH2 3.63Å; E290-R293 PolarHBondContact OE1-NH2 3.02Å; E290-R293 VanDerWaalsContact OE1-NH2 3.07Å; E290-I294 HydrophobicContact CG-CD1 4.02Å; E290-I294 WeakPolarHBondContact O-CG1 3.43Å; E290-I294 PolarHBondContact O-N 3.39Å
291L93.5Very high86.5Confident4 Ų471.7 Ų71.72%0.02137%0.366CS..Hα-helixtrans-61.5-40.2176.4-169.160.7000111.2I286 G288 I294 K295 Q330 I375I286-L291 HydrophobicContact CG2-CB 4.12Å; I286-L291 HydrophobicContact CG2-CD1 4.38Å; G288-L291 PolarHBondContact O-N 3.06Å; G288-L291 VanDerWaalsContact O-N 3.11Å; L291-I294 PolarHBondContact O-N 2.75Å; L291-K295 HydrophobicContact CG-CD 3.96Å; L291-K295 WeakPolarHBondContact O-CB 3.39Å; L291-K295 WeakPolarHBondContact O-CD 3.36Å; L291-K295 VanDerWaalsContact O-CG 3.28Å; L291-K295 WeakPolarHBondContact O-CG 3.4Å; L291-K295 PolarHBondContact O-N 3.1Å; L291-Q330 VanDerWaalsContact CD2-C 3.49Å; L291-Q330 HydrophobicContact CD2-CB 3.93Å; L291-Q330 VanDerWaalsContact CD2-O 3.31Å; L291-Q330 WeakPolarHBondContact CD2-O 3.48Å; L291-I375 HydrophobicContact CD1-CG1 4.13Å; L291-I375 HydrophobicContact CD1-CG2 4.27Å
292E89.9Confident84.7Confident90 Ų9068.7 Ų68.742%0.42136%0.356SS..Hα-helixtrans-65.3-38.5174-66.1-56.6158.200113.1G288 E290 I294 K295 E296G288-E292 PolarHBondContact O-N 2.92Å; E290-E292 VanDerWaalsContact C-N 3.3Å; E290-E292 PolarHBondContact O-N 3.39Å; E292-I294 VanDerWaalsContact C-N 3.32Å; E292-I294 PolarHBondContact O-N 3.02Å; E292-K295 PolarHBondContact O-N 3.43Å; E292-K295 IonicContact OE1-NZ 2.65Å; E292-K295 PolarHBondContact OE1-NZ 2.95Å; E292-K295 WeakPolarHBondContact OE2-CE 2.88Å; E292-K295 IonicContact OE2-NZ 2.97Å; E292-K295 PolarHBondContact OE2-NZ 3.21Å; E292-E296 VanDerWaalsContact O-CB 3.28Å; E292-E296 WeakPolarHBondContact O-CB 3.49Å; E292-E296 PolarHBondContact O-N 3.18Å
293R90Very high82.6Confident139 Ų13963 Ų6353%0.52534%0.34SS..Hα-helixtrans-59.7-42.3173.2-75.6-172.1-64.1106.3-4.3111.8A289 E290 E296 N297A289-R293 WeakPolarHBondContact O-CG 3.5Å; A289-R293 PolarHBondContact O-N 3.12Å; E290-R293 VanDerWaalsContact CG-NH2 3.28Å; E290-R293 WeakPolarHBondContact O-CB 3.14Å; E290-R293 PolarHBondContact O-N 2.85Å; E290-R293 VanDerWaalsContact O-N 3.15Å; E290-R293 IonicContact OE1-NH2 3.63Å; E290-R293 PolarHBondContact OE1-NH2 3.02Å; E290-R293 VanDerWaalsContact OE1-NH2 3.07Å; R293-E296 PolarHBondContact O-N 3.01Å; R293-N297 VanDerWaalsContact O-CG 3.27Å; R293-N297 PolarHBondContact O-N 3.1Å
294I89Confident80.7Confident11 Ų1164.8 Ų64.86%0.05635%0.348CS..Hα-helixtrans-68.7-44.7179.7-65.5162.8000110.7I286 E290 L291 E292 E296 N297 S298 V373I286-I294 HydrophobicContact CD1-CD1 3.78Å; I286-I294 HydrophobicContact CG2-CD1 3.99Å; E290-I294 HydrophobicContact CG-CD1 4.02Å; E290-I294 WeakPolarHBondContact O-CG1 3.43Å; E290-I294 PolarHBondContact O-N 3.39Å; L291-I294 PolarHBondContact O-N 2.75Å; E292-I294 VanDerWaalsContact C-N 3.32Å; E292-I294 PolarHBondContact O-N 3.02Å; I294-E296 VanDerWaalsContact C-N 3.31Å; I294-E296 PolarHBondContact O-N 3.14Å; I294-N297 PolarHBondContact O-N 2.67Å; I294-S298 PolarHBondContact O-N 3.07Å; I294-V373 HydrophobicContact CD1-CG1 4.42Å; I294-V373 HydrophobicContact CD1-CG2 4.23Å; I294-V373 HydrophobicContact CG2-CB 4.24Å; I294-V373 HydrophobicContact CG2-CG1 4.35Å
295K88.1Confident78.6Confident23 Ų2365.4 Ų65.410%0.134%0.343CS..Hα-helixtrans-59.4-39.7174.3-75.3160.154.2-175.50112.5L291 E292 R299 I375L291-K295 HydrophobicContact CG-CD 3.96Å; L291-K295 WeakPolarHBondContact O-CB 3.39Å; L291-K295 WeakPolarHBondContact O-CD 3.36Å; L291-K295 VanDerWaalsContact O-CG 3.28Å; L291-K295 WeakPolarHBondContact O-CG 3.4Å; L291-K295 PolarHBondContact O-N 3.1Å; E292-K295 PolarHBondContact O-N 3.43Å; E292-K295 IonicContact OE1-NZ 2.65Å; E292-K295 PolarHBondContact OE1-NZ 2.95Å; E292-K295 WeakPolarHBondContact OE2-CE 2.88Å; E292-K295 IonicContact OE2-NZ 2.97Å; E292-K295 PolarHBondContact OE2-NZ 3.21Å; K295-R299 WeakPolarHBondContact O-CB 3.12Å; K295-R299 VanDerWaalsContact O-CG 3.28Å; K295-R299 WeakPolarHBondContact O-CG 3.48Å; K295-R299 PolarHBondContact O-N 2.87Å; K295-I375 HydrophobicContact CD-CG2 4.31Å; K295-I375 HydrophobicContact CG-CD1 3.73Å; K295-I375 HydrophobicContact CG-CG1 4.4Å; K295-I375 HydrophobicContact CG-CG2 4.33Å
296E82.6Confident76.5Confident70 Ų7072.3 Ų72.333%0.32737%0.37SS..Hα-helixtrans-70.1-37.8176.6179.259.1-169.300112.3E292 R293 I294 R299 R300E292-E296 VanDerWaalsContact O-CB 3.28Å; E292-E296 WeakPolarHBondContact O-CB 3.49Å; E292-E296 PolarHBondContact O-N 3.18Å; R293-E296 PolarHBondContact O-N 3.01Å; I294-E296 VanDerWaalsContact C-N 3.31Å; I294-E296 PolarHBondContact O-N 3.14Å; E296-R299 PolarHBondContact O-N 3.25Å; E296-R300 VanDerWaalsContact O-CG 3.31Å; E296-R300 WeakPolarHBondContact O-CG 3.11Å; E296-R300 PolarHBondContact O-N 2.71Å; E296-R300 VanDerWaalsContact O-N 3.14Å; E296-R300 IonicContact OE1-CZ 3.34Å; E296-R300 IonicContact OE1-NE 2.83Å; E296-R300 PolarHBondContact OE1-NE 3.26Å; E296-R300 IonicContact OE1-NH2 3.01Å; E296-R300 PolarHBondContact OE1-NH2 3.31Å
297N79.1Confident74.5Confident94 Ų9472.9 Ų72.950%0.50338%0.379SS..Hα-helixtrans-63.7-45.6173.1-73.9-13.8000111.6R293 I294 R299 R300 S301R293-N297 VanDerWaalsContact O-CG 3.27Å; R293-N297 PolarHBondContact O-N 3.1Å; I294-N297 PolarHBondContact O-N 2.67Å; N297-R299 PolarHBondContact O-N 3.2Å; N297-R300 WeakPolarHBondContact O-CB 3.48Å; N297-R300 PolarHBondContact O-N 3.18Å; N297-R300 VanDerWaalsContact O-N 3.12Å; N297-S301 PolarHBondContact O-N 3Å; N297-S301 VanDerWaalsContact O-N 3.13Å; N297-S301 PolarHBondContact O-OG 3.43Å
298S72.7Confident72.7Confident22 Ų2281 Ų8115%0.15441%0.408CS..Hα-helixtrans-58.3-46.3174.5171.60000112.2I294 R300 S301 T302 E370I294-S298 PolarHBondContact O-N 3.07Å; S298-R300 PolarHBondContact O-N 3.02Å; S298-S301 WeakPolarHBondContact O-CB 3.28Å; S298-S301 PolarHBondContact O-N 3.36Å; S298-T302 PolarHBondContact O-N 3.41Å; S298-T302 VanDerWaalsContact O-N 3.14Å; S298-E370 WeakPolarHBondContact CA-OE1 3.25Å; S298-E370 WeakPolarHBondContact CB-OE1 3.25Å; S298-E370 VanDerWaalsContact OG-CD 3.26Å; S298-E370 PolarHBondContact OG-OE1 2.75Å; S298-E370 PolarHBondContact OG-OE2 2.65Å
299R70.7Confident71.2Confident109 Ų10983.8 Ų83.841%0.41141%0.414SS..Hα-helixtrans-56.7-32175-78.1169.8173.1166.4-0.9113.7K295 E296 N297 T302K295-R299 WeakPolarHBondContact O-CB 3.12Å; K295-R299 VanDerWaalsContact O-CG 3.28Å; K295-R299 WeakPolarHBondContact O-CG 3.48Å; K295-R299 PolarHBondContact O-N 2.87Å; E296-R299 PolarHBondContact O-N 3.25Å; N297-R299 PolarHBondContact O-N 3.2Å; R299-T302 PolarHBondContact O-OG1 3.16Å
300R67.6Low69.5Low172 Ų17283.2 Ų83.265%0.64941%0.405SS*.Hα-helixtrans-78.7-29177.8-71.3168.2-176.9-122-6.3113.2E296 N297 S298 T302E296-R300 VanDerWaalsContact O-CG 3.31Å; E296-R300 WeakPolarHBondContact O-CG 3.11Å; E296-R300 PolarHBondContact O-N 2.71Å; E296-R300 VanDerWaalsContact O-N 3.14Å; E296-R300 IonicContact OE1-CZ 3.34Å; E296-R300 IonicContact OE1-NE 2.83Å; E296-R300 PolarHBondContact OE1-NE 3.26Å; E296-R300 IonicContact OE1-NH2 3.01Å; E296-R300 PolarHBondContact OE1-NH2 3.31Å; N297-R300 WeakPolarHBondContact O-CB 3.48Å; N297-R300 PolarHBondContact O-N 3.18Å; N297-R300 VanDerWaalsContact O-N 3.12Å; S298-R300 PolarHBondContact O-N 3.02Å; R300-T302 CarbonylContact C-O 3.59Å
301S59.8Low67.7Low67 Ų6781.8 Ų81.847%0.46941%0.406SS..Hα-helixtrans-70.2-34.3172.9-61.10000111.8N297 S298N297-S301 PolarHBondContact O-N 3Å; N297-S301 VanDerWaalsContact O-N 3.13Å; N297-S301 PolarHBondContact O-OG 3.43Å; S298-S301 WeakPolarHBondContact O-CB 3.28Å; S298-S301 PolarHBondContact O-N 3.36Å
302T55Low65.8Low64 Ų6486.7 Ų86.739%0.39343%0.425SS..SBendtrans-70.1136.5161.673.60000109.7S298 R299 R300 Q304S298-T302 PolarHBondContact O-N 3.41Å; S298-T302 VanDerWaalsContact O-N 3.14Å; R299-T302 PolarHBondContact O-OG1 3.16Å; R300-T302 CarbonylContact C-O 3.59Å; T302-Q304 PolarHBondContact O-N 3.23Å
303S51.2Low64.1Low66 Ų6687.3 Ų87.346%0.46243%0.427SS..  trans-52.7139.9-173.754.10000112.8S305 Y306 G307S303-S305 CarbonylContact O-C 3.53Å; S303-S305 PolarHBondContact O-N 2.89Å; S303-S305 PolarHBondContact OG-OG 3.46Å; S303-Y306 WeakPolarHBondContact O-CA 3.04Å; S303-Y306 WeakPolarHBondContact O-CB 3.28Å; S303-Y306 PolarHBondContact O-N 2.91Å; S303-G307 PolarHBondContact O-N 3.25Å; S303-G307 VanDerWaalsContact O-N 3.13Å
304Q52.8Low62.5Low143 Ų14386 Ų8667%0.66842%0.422SS*.Hα-helixtrans-53.7-28-173.4-66.7-170.411.100114.1T302 R308T302-Q304 PolarHBondContact O-N 3.23Å; Q304-R308 WeakPolarHBondContact O-CB 3.4Å; Q304-R308 VanDerWaalsContact O-CG 3.31Å; Q304-R308 WeakPolarHBondContact O-CG 3.2Å; Q304-R308 PolarHBondContact O-N 3.18Å
305S49.8Very low60.9Low70 Ų7092.1 Ų92.149%0.4946%0.455SS..Hα-helixtrans-60.5-51171.142.20000112.2S303 R308 I309S303-S305 CarbonylContact O-C 3.53Å; S303-S305 PolarHBondContact O-N 2.89Å; S303-S305 PolarHBondContact OG-OG 3.46Å; S305-R308 PolarHBondContact O-N 3.33Å; S305-I309 WeakPolarHBondContact O-CB 3.38Å; S305-I309 WeakPolarHBondContact O-CD1 3.34Å; S305-I309 WeakPolarHBondContact O-CG1 3.36Å; S305-I309 PolarHBondContact O-N 2.8Å
306Y52.8Low59.3Low161 Ų16198.2 Ų98.263%0.63148%0.477SS*.Hα-helixtrans-60.6-45.2174.2-107.7-87.1000111.9S303 R308 I309 S310S303-Y306 WeakPolarHBondContact O-CA 3.04Å; S303-Y306 WeakPolarHBondContact O-CB 3.28Å; S303-Y306 PolarHBondContact O-N 2.91Å; Y306-R308 PolarHBondContact O-N 3.35Å; Y306-I309 PolarHBondContact O-N 3.44Å; Y306-S310 WeakPolarHBondContact O-CB 3.25Å; Y306-S310 PolarHBondContact O-N 2.9Å; Y306-S310 PolarHBondContact O-OG 2.98Å; Y306-S310 VanDerWaalsContact O-OG 3.13Å
307G54.5Low57.5Low23 Ų23100.4 Ų100.424%0.23748%0.483CS..Hα-helixtrans-57.3-47177.600000113S303 A311S303-G307 PolarHBondContact O-N 3.25Å; S303-G307 VanDerWaalsContact O-N 3.13Å; G307-A311 WeakPolarHBondContact O-CB 3.27Å; G307-A311 PolarHBondContact O-N 2.79Å
308R55.6Low55.9Low184 Ų18496.7 Ų96.769%0.69447%0.467SS*.Hα-helixtrans-64.8-42.6176.3-72.3178.7-171.9-162.84.6112.6Q304 S305 Y306 A311 Y312Q304-R308 WeakPolarHBondContact O-CB 3.4Å; Q304-R308 VanDerWaalsContact O-CG 3.31Å; Q304-R308 WeakPolarHBondContact O-CG 3.2Å; Q304-R308 PolarHBondContact O-N 3.18Å; S305-R308 PolarHBondContact O-N 3.33Å; Y306-R308 PolarHBondContact O-N 3.35Å; R308-A311 PolarHBondContact O-N 2.62Å; R308-Y312 VanDerWaalsContact O-CB 3.31Å; R308-Y312 WeakPolarHBondContact O-CB 3.39Å; R308-Y312 PolarHBondContact O-N 3.23Å
309I58.6Low54.5Low89 Ų89103.7 Ų103.746%0.45650%0.497SS..Hα-helixtrans-64.5-47.9179.8-70.8165.7000110.7S305 Y306 A311 Y312 F313S305-I309 WeakPolarHBondContact O-CB 3.38Å; S305-I309 WeakPolarHBondContact O-CD1 3.34Å; S305-I309 WeakPolarHBondContact O-CG1 3.36Å; S305-I309 PolarHBondContact O-N 2.8Å; Y306-I309 PolarHBondContact O-N 3.44Å; I309-A311 PolarHBondContact O-N 2.99Å; I309-Y312 PolarHBondContact O-N 3.41Å; I309-F313 HydrophobicContact CG2-CD2 3.72Å; I309-F313 HydrophobicContact CG2-CE2 3.46Å; I309-F313 VanDerWaalsContact CG2-CE2 3.46Å; I309-F313 VanDerWaalsContact O-CD2 3.26Å; I309-F313 WeakPolarHBondContact O-CD2 3.35Å; I309-F313 PolarHBondContact O-N 3.46Å
310S54.8Low53.2Low70 Ų70104.3 Ų104.349%0.4951%0.513SS..Hα-helixtrans-63.5-39.3177.8-63.20000112.6Y306 R314Y306-S310 WeakPolarHBondContact O-CB 3.25Å; Y306-S310 PolarHBondContact O-N 2.9Å; Y306-S310 PolarHBondContact O-OG 2.98Å; Y306-S310 VanDerWaalsContact O-OG 3.13Å; S310-R314 WeakPolarHBondContact O-CB 3.47Å; S310-R314 PolarHBondContact O-N 2.98Å; S310-R314 VanDerWaalsContact O-N 3.09Å
311A54.3Low52.2Low46 Ų46101.4 Ų101.438%0.3851%0.507SS..Hα-helixtrans-66-42174.200000112.1G307 R308 I309 R314 N315G307-A311 WeakPolarHBondContact O-CB 3.27Å; G307-A311 PolarHBondContact O-N 2.79Å; R308-A311 PolarHBondContact O-N 2.62Å; I309-A311 PolarHBondContact O-N 2.99Å; A311-R314 PolarHBondContact O-N 3.35Å; A311-N315 VanDerWaalsContact O-CB 3.3Å; A311-N315 WeakPolarHBondContact O-CB 3.5Å; A311-N315 VanDerWaalsContact O-CG 3.22Å; A311-N315 PolarHBondContact O-N 3.38Å; A311-N315 PolarHBondContact O-OD1 3.43Å
312Y53.6Low51.5Low107 Ų107100.8 Ų100.842%0.4251%0.506SS..Hα-helixtrans-62.8-43.9178.1-177.2-99.3000112.4R308 I309 R316R308-Y312 VanDerWaalsContact O-CB 3.31Å; R308-Y312 WeakPolarHBondContact O-CB 3.39Å; R308-Y312 PolarHBondContact O-N 3.23Å; I309-Y312 PolarHBondContact O-N 3.41Å; Y312-R316 PolarHBondContact O-N 3.19Å; Y312-R316 PolarHBondContact OH-NE 3.03Å; Y312-R316 PolarHBondContact OH-NH1 3.22Å; Y312-R316 PolarHBondContact OH-NH2 3.11Å
313F53.2Low50.9Low103 Ų103105.4 Ų105.445%0.45252%0.521SS..Hα-helixtrans-64.2-46.8175-75.8-57.3000112.1I309 N315 R316 Y317I309-F313 HydrophobicContact CG2-CD2 3.72Å; I309-F313 HydrophobicContact CG2-CE2 3.46Å; I309-F313 VanDerWaalsContact CG2-CE2 3.46Å; I309-F313 VanDerWaalsContact O-CD2 3.26Å; I309-F313 WeakPolarHBondContact O-CD2 3.35Å; I309-F313 PolarHBondContact O-N 3.46Å; F313-N315 VanDerWaalsContact C-N 3.31Å; F313-N315 PolarHBondContact O-N 3.39Å; F313-R316 PolarHBondContact O-N 3.08Å; F313-Y317 AromaticContact CD1-CD2 4Å; F313-Y317 HydrophobicContact CD1-CD2 4Å; F313-Y317 AromaticContact CD1-CE2 4Å; F313-Y317 HydrophobicContact CD1-CE2 4Å; F313-Y317 WeakPolarHBondContact O-CD2 3.47Å; F313-Y317 PolarHBondContact O-N 3.47Å
314R57.7Low51.1Low113 Ų113106.4 Ų106.443%0.42652%0.524SS..Hα-helixtrans-62.1-36.8179.6-174165.9170.7154.5-5.8112.6S310 A311 G318S310-R314 WeakPolarHBondContact O-CB 3.47Å; S310-R314 PolarHBondContact O-N 2.98Å; S310-R314 VanDerWaalsContact O-N 3.09Å; A311-R314 PolarHBondContact O-N 3.35Å; R314-G318 PolarHBondContact O-N 2.96Å
315N54.7Low51.5Low139 Ų139102 Ų10274%0.74350%0.503SS*.Hα-helixtrans-81.4-10.4179.6-68.56.5000114.5A311 F313A311-N315 VanDerWaalsContact O-CB 3.3Å; A311-N315 WeakPolarHBondContact O-CB 3.5Å; A311-N315 VanDerWaalsContact O-CG 3.22Å; A311-N315 PolarHBondContact O-N 3.38Å; A311-N315 PolarHBondContact O-OD1 3.43Å; F313-N315 VanDerWaalsContact C-N 3.31Å; F313-N315 PolarHBondContact O-N 3.39Å
316R53.9Low52.2Low151 Ų151100.8 Ų100.857%0.5750%0.497SS*.Hα-helixtrans-110.8-19.1177.5-86-163.2173.1-156.32115.3Y312 F313Y312-R316 PolarHBondContact O-N 3.19Å; Y312-R316 PolarHBondContact OH-NE 3.03Å; Y312-R316 PolarHBondContact OH-NH1 3.22Å; Y312-R316 PolarHBondContact OH-NH2 3.11Å; F313-R316 PolarHBondContact O-N 3.08Å
317Y44.8Very low53.5Low116 Ų11694.5 Ų94.546%0.45548%0.479SS..Hα-helixtrans-134.84.6-170.6-57-73.1000114.2F313 E319F313-Y317 AromaticContact CD1-CD2 4Å; F313-Y317 HydrophobicContact CD1-CD2 4Å; F313-Y317 AromaticContact CD1-CE2 4Å; F313-Y317 HydrophobicContact CD1-CE2 4Å; F313-Y317 WeakPolarHBondContact O-CD2 3.47Å; F313-Y317 PolarHBondContact O-N 3.47Å; Y317-E319 VanDerWaalsContact C-N 3.3Å; Y317-E319 PolarHBondContact O-N 2.83Å
318G46.7Very low55.1Low16 Ų1697 Ų9717%0.16548%0.481CS..THydrogen-bonded Turntrans-77.82.4-173.500000116.5R314 T320 E321 A322R314-G318 PolarHBondContact O-N 2.96Å; G318-T320 PolarHBondContact O-N 3.36Å; G318-E321 PolarHBondContact O-N 3.5Å; G318-A322 VanDerWaalsContact O-CB 3.29Å; G318-A322 WeakPolarHBondContact O-CB 3.37Å; G318-A322 PolarHBondContact O-N 3.11Å
319E43.7Very low56.9Low168 Ų16888.2 Ų88.279%0.78545%0.448SS*.Hα-helixtrans-68.7-29.3-169.1-64.2-176.6162.100114.3Y317Y317-E319 VanDerWaalsContact C-N 3.3Å; Y317-E319 PolarHBondContact O-N 2.83Å
320T42.3Very low58.6Low122 Ų12285.3 Ų85.375%0.74843%0.433SS*.Hα-helixtrans-79-38.7172.947.60000112.3G318 A322G318-T320 PolarHBondContact O-N 3.36Å; T320-A322 VanDerWaalsContact C-N 3.29Å; T320-A322 PolarHBondContact O-N 2.63Å
321E46.3Very low60.6Low111 Ų11182 Ų8252%0.51941%0.409SS..Hα-helixtrans-63.9-33.3169.5-74.6-165.1146.800112G318 K323 T324 K325G318-E321 PolarHBondContact O-N 3.5Å; E321-K323 VanDerWaalsContact C-N 3.27Å; E321-K323 PolarHBondContact O-N 2.82Å; E321-T324 PolarHBondContact O-N 3.12Å; E321-T324 PolarHBondContact O-OG1 3.43Å; E321-T324 VanDerWaalsContact O-OG1 3.09Å; E321-K325 WeakPolarHBondContact O-CB 3.48Å; E321-K325 PolarHBondContact O-N 3.11Å
322A45.7Very low62.6Low54 Ų5479.8 Ų79.845%0.44639%0.391SS..Hα-helixtrans-60.5-35.9-17300000112.8G318 T320 A326G318-A322 VanDerWaalsContact O-CB 3.29Å; G318-A322 WeakPolarHBondContact O-CB 3.37Å; G318-A322 PolarHBondContact O-N 3.11Å; T320-A322 VanDerWaalsContact C-N 3.29Å; T320-A322 PolarHBondContact O-N 2.63Å; A322-A326 WeakPolarHBondContact O-CB 3.34Å; A322-A326 PolarHBondContact O-N 2.95Å
323K43.2Very low64.6Low162 Ų16274.8 Ų74.870%0.70437%0.372SS*.Hα-helixtrans-65.1-46.4179.6-70.5-172.8177.7-177.70112.3E321E321-K323 VanDerWaalsContact C-N 3.27Å; E321-K323 PolarHBondContact O-N 2.82Å
324T54.4Low66.6Low87 Ų8777 Ų7753%0.53438%0.377SS..Hα-helixtrans-72.5-43.4174.746.40000111.2E321 A326 A327 Y328E321-T324 PolarHBondContact O-N 3.12Å; E321-T324 PolarHBondContact O-OG1 3.43Å; E321-T324 VanDerWaalsContact O-OG1 3.09Å; T324-A326 PolarHBondContact O-N 2.88Å; T324-A326 VanDerWaalsContact O-N 3.14Å; T324-A327 WeakPolarHBondContact O-CB 3.38Å; T324-A327 PolarHBondContact O-N 3.24Å; T324-Y328 WeakPolarHBondContact O-CD2 3.39Å
325K62.2Low68.4Low50 Ų5071.9 Ų71.922%0.21736%0.359CS..Hα-helixtrans-61.1-24.8-178.1-162.4170.5-149.566.90113.8E321 A327 Y328 E377E321-K325 WeakPolarHBondContact O-CB 3.48Å; E321-K325 PolarHBondContact O-N 3.11Å; K325-A327 PolarHBondContact O-N 3.27Å; K325-Y328 PolarHBondContact O-N 2.97Å; K325-Y328 VanDerWaalsContact O-N 3.12Å; K325-E377 WeakPolarHBondContact CE-OE1 3.28Å; K325-E377 WeakPolarHBondContact CE-OE2 3.39Å; K325-E377 IonicContact NZ-OE1 2.63Å; K325-E377 PolarHBondContact NZ-OE1 3.45Å; K325-E377 IonicContact NZ-OE2 2.74Å; K325-E377 PolarHBondContact NZ-OE2 3.46Å
326A63.7Low70.3Confident44 Ų4469.4 Ų69.436%0.36435%0.35SS..THydrogen-bonded Turntrans-61.3-25.5171.300000113.7L268 R273 A322 T324L268-A326 PolarHBondContact N-O 3.11Å; L268-A326 VanDerWaalsContact N-O 3.09Å; R273-A326 PolarHBondContact NH2-O 3.22Å; A322-A326 WeakPolarHBondContact O-CB 3.34Å; A322-A326 PolarHBondContact O-N 2.95Å; T324-A326 PolarHBondContact O-N 2.88Å; T324-A326 VanDerWaalsContact O-N 3.14Å
327A79.7Confident72.1Confident30 Ų3063.5 Ų63.525%0.24833%0.332CS..THydrogen-bonded Turntrans-80.4-21173.700000113.8T324 K325T324-A327 WeakPolarHBondContact O-CB 3.38Å; T324-A327 PolarHBondContact O-N 3.24Å; K325-A327 PolarHBondContact O-N 3.27Å
328Y89Confident74.3Confident75 Ų7562.4 Ų62.429%0.29433%0.33SS..  trans-81.6132.8-168.2-77.6-125.1000111.6R273 T324 K325 E377 A378R273-Y328 VanDerWaalsContact CZ-O 3.28Å; R273-Y328 PolarHBondContact NH1-O 2.76Å; R273-Y328 PolarHBondContact NH2-O 3.1Å; T324-Y328 WeakPolarHBondContact O-CD2 3.39Å; K325-Y328 PolarHBondContact O-N 2.97Å; K325-Y328 VanDerWaalsContact O-N 3.12Å; Y328-E377 HydrophobicContact CD1-CG 3.74Å; Y328-E377 HydrophobicContact CG-CG 4.32Å; Y328-A378 CarbonylContact C-O 3.03Å; Y328-A378 WeakPolarHBondContact CA-O 3.49Å
329L92.9Very high76.6Confident0 Ų066.1 Ų66.10%035%0.346CS..EExtended strand (participates in β ladder)trans-83.5145.7167.8-16371.1000109.3L268 Y276 Y277 L331 E377 A378 P380 A383L268-L329 HydrophobicContact CD2-CD1 4.38Å; Y276-L329 HydrophobicContact CG-CD2 4.37Å; Y277-L329 HydrophobicContact CD1-CD1 3.72Å; Y277-L329 HydrophobicContact CD1-CG 4.46Å; Y277-L329 HydrophobicContact CE1-CD1 3.43Å; Y277-L329 VanDerWaalsContact CE1-CD1 3.43Å; Y277-L329 HydrophobicContact CE1-CG 4.11Å; L329-L331 HydrophobicContact CD2-CD1 4.09Å; L329-L331 HydrophobicContact CD2-CD2 3.83Å; L329-L331 HydrophobicContact CD2-CG 4.02Å; L329-L331 HydrophobicContact CG-CD2 4.07Å; L329-L331 HydrophobicContact CG-CG 4.28Å; L329-E377 WeakPolarHBondContact O-CA 3.2Å; L329-A378 PolarHBondContact N-O 3Å; L329-A378 PolarHBondContact O-N 2.75Å; L329-P380 HydrophobicContact CB-CB 4.29Å; L329-P380 HydrophobicContact CB-CG 4.25Å; L329-P380 HydrophobicContact CD2-CB 4.14Å; L329-A383 HydrophobicContact CB-CB 4.06Å; L329-A383 HydrophobicContact CD2-CB 4.21Å
330Q94.4Very high79Confident27 Ų2758.8 Ų58.813%0.12631%0.312CS..EExtended strand (participates in β ladder)trans-120.9123.8174.4-70.1179.518.700110.5L291 I376 E377L291-Q330 VanDerWaalsContact CD2-C 3.49Å; L291-Q330 HydrophobicContact CD2-CB 3.93Å; L291-Q330 VanDerWaalsContact CD2-O 3.31Å; L291-Q330 WeakPolarHBondContact CD2-O 3.48Å; Q330-I376 VanDerWaalsContact CA-O 3.29Å; Q330-I376 WeakPolarHBondContact CA-O 3.38Å; Q330-E377 HydrophobicContact CG-CB 4.09Å; Q330-E377 HydrophobicContact CG-CG 4.05Å; Q330-E377 PolarHBondContact NE2-OE1 2.93Å
331L95.8Very high81.5Confident0 Ų053.6 Ų53.60%028%0.28CS..EExtended strand (participates in β ladder)trans-130152.8-175.8-57.6-178.1000110.8A280 F285 I286 V287 L329 I375 I376 A383 M384 A387A280-L331 HydrophobicContact CB-CD2 3.54Å; F285-L331 HydrophobicContact CD2-CD1 4.45Å; I286-L331 CarbonylContact O-C 3.46Å; V287-L331 HydrophobicContact CG1-CD2 3.49Å; V287-L331 VanDerWaalsContact CG1-CD2 3.49Å; L329-L331 HydrophobicContact CD2-CD1 4.09Å; L329-L331 HydrophobicContact CD2-CD2 3.83Å; L329-L331 HydrophobicContact CD2-CG 4.02Å; L329-L331 HydrophobicContact CG-CD2 4.07Å; L329-L331 HydrophobicContact CG-CG 4.28Å; L331-I375 CarbonylContact O-C 3.6Å; L331-I375 WeakPolarHBondContact O-CA 3.31Å; L331-I376 PolarHBondContact N-O 3.03Å; L331-I376 PolarHBondContact O-N 3.22Å; L331-A383 HydrophobicContact CD1-CB 3.96Å; L331-A383 HydrophobicContact CG-CB 4.35Å; L331-M384 HydrophobicContact CD1-CG 4.42Å; L331-M384 HydrophobicContact CD1-SD 3.82Å; L331-A387 HydrophobicContact CD1-CB 3.89Å
332G96.6Very high83.8Confident0 Ų051.7 Ų51.70%028%0.279CS..EExtended strand (participates in β ladder)trans-120.6127.3171.700000112.3I286 F374I286-G332 PolarHBondContact N-O 2.89Å; I286-G332 PolarHBondContact O-N 3.24Å; G332-F374 CarbonylContact C-O 3.59Å; G332-F374 VanDerWaalsContact CA-O 3.31Å; G332-F374 WeakPolarHBondContact CA-O 3.38Å
333V97Very high86.1Confident3 Ų352.2 Ų52.22%0.01827%0.272CS..EExtended strand (participates in β ladder)trans-105.4112.7175.4-1780000109.7F285 V335 V373 F374 I376 A387 L390 A391F285-V333 HydrophobicContact CD1-CG2 4.16Å; F285-V333 HydrophobicContact CE1-CG2 4.36Å; V333-V335 HydrophobicContact CG1-CG2 4.42Å; V333-V373 CarbonylContact O-C 3.57Å; V333-V373 VanDerWaalsContact O-CA 3.28Å; V333-V373 WeakPolarHBondContact O-CA 3.22Å; V333-F374 PolarHBondContact N-O 2.83Å; V333-F374 PolarHBondContact O-N 3.3Å; V333-I376 HydrophobicContact CG2-CD1 3.78Å; V333-A387 HydrophobicContact CG2-CB 3.76Å; V333-L390 HydrophobicContact CB-CB 4.49Å; V333-L390 HydrophobicContact CG1-CB 4.15Å; V333-L390 HydrophobicContact CG2-CB 4.44Å; V333-A391 HydrophobicContact CG1-CB 4.04Å
334R95.1Very high88.6Confident148 Ų14844.6 Ų44.656%0.55824%0.239SC*.EExtended strand (participates in β ladder)trans-79.6138.6177-165.2179.3-171.5121.68.7111.1I286 E371 V373I286-R334 HydrophobicContact CD1-CB 4.13Å; R334-E371 IonicContact CZ-OE1 3.61Å; R334-E371 IonicContact NE-OE1 3.74Å; R334-E371 IonicContact NH1-OE1 3.54Å; R334-E371 PolarHBondContact NH1-OE1 3.36Å; R334-E371 IonicContact NH2-OE1 2.79Å; R334-E371 PolarHBondContact NH2-OE1 3.18Å; R334-V373 HydrophobicContact CB-CG2 4.16Å; R334-V373 HydrophobicContact CG-CG2 4.1Å
335V95.3Very high90.6Very high6 Ų641.6 Ų41.64%0.03622%0.22CC..  trans-129.9139.9-171.4169.50000110.5V333 S337 H340 V341 I344 H372 F374 A394V333-V335 HydrophobicContact CG1-CG2 4.42Å; V335-S337 PolarHBondContact O-N 3.35Å; V335-H340 HydrophobicContact CG1-CB 3.32Å; V335-V341 HydrophobicContact CB-CG2 4.27Å; V335-V341 HydrophobicContact CG1-CG2 3.9Å; V335-I344 HydrophobicContact CG1-CD1 4.21Å; V335-I344 HydrophobicContact CG2-CD1 4.14Å; V335-H372 PolarHBondContact N-O 3.15Å; V335-H372 WeakPolarHBondContact O-CB 3.33Å; V335-F374 HydrophobicContact CG2-CD2 3.84Å; V335-F374 HydrophobicContact CG2-CE2 3.93Å; V335-A394 HydrophobicContact CG1-CB 4.32Å; V335-A394 HydrophobicContact CG2-CB 4.15Å
336P93Very high92.1Very high87 Ų8740 Ų4057%0.56522%0.217SC*.SBendtrans-68-30.9-163.5-25.135.6000117.1
337S92.5Very high93.5Very high27 Ų2747.2 Ų47.219%0.18924%0.241CC..  trans-152.4162.4175.282.90000111.8V335 D339 H340 V341 H372V335-S337 PolarHBondContact O-N 3.35Å; S337-D339 PolarHBondContact O-N 3.46Å; S337-D339 VanDerWaalsContact O-N 3.1Å; S337-D339 PolarHBondContact OG-N 2.96Å; S337-D339 PolarHBondContact OG-OD2 2.73Å; S337-H340 PolarHBondContact N-ND1 3.28Å; S337-H340 WeakPolarHBondContact O-CB 3.37Å; S337-H340 PolarHBondContact O-N 2.83Å; S337-H340 PolarHBondContact OG-CE1 2.96Å; S337-H340 PolarHBondContact OG-ND1 2.89Å; S337-V341 PolarHBondContact O-N 3.17Å; S337-H372 VanDerWaalsContact C-CD2 3.44Å; S337-H372 VanDerWaalsContact CA-CD2 3.5Å; S337-H372 WeakPolarHBondContact CA-CD2 3.35Å
338K91.9Very high93.9Very high94 Ų9450.4 Ų50.441%0.40928%0.276SS..Hα-helixtrans-49.1-31.3170.6-171.1-179.5176-172.80113.8V341 S342 E368 H372K338-V341 WeakPolarHBondContact O-CB 3.47Å; K338-V341 PolarHBondContact O-N 3.38Å; K338-S342 PolarHBondContact O-N 2.96Å; K338-E368 IonicContact NZ-OE1 2.77Å; K338-E368 PolarHBondContact NZ-OE1 2.8Å; K338-H372 PolarHBondContact N-CD2 2.99Å; K338-H372 VanDerWaalsContact N-CD2 3.3Å; K338-H372 PolarHBondContact N-NE2 2.79Å; K338-H372 VanDerWaalsContact N-NE2 3.15Å
339D93.2Very high94.1Very high94 Ų9447.7 Ų47.750%0.50327%0.271SS..Hα-helixtrans-71.9-30.7177.7-34.7-65.6000112.5S337 S342 E343S337-D339 PolarHBondContact O-N 3.46Å; S337-D339 VanDerWaalsContact O-N 3.1Å; S337-D339 PolarHBondContact OG-N 2.96Å; S337-D339 PolarHBondContact OG-OD2 2.73Å; D339-S342 WeakPolarHBondContact CA-OG 3.48Å; D339-S342 PolarHBondContact O-OG 2.88Å; D339-S342 VanDerWaalsContact O-OG 3.1Å; D339-E343 PolarHBondContact O-N 3.34Å; D339-E343 VanDerWaalsContact O-N 3.16Å
340H94.7Very high94.1Very high14 Ų1454.8 Ų54.87%0.06530%0.304CS..Hα-helixtrans-72.9-39.9173.6-58.181.3000109.5V335 S337 E343 I344 I397 T398 K401V335-H340 HydrophobicContact CG1-CB 3.32Å; S337-H340 PolarHBondContact N-ND1 3.28Å; S337-H340 WeakPolarHBondContact O-CB 3.37Å; S337-H340 PolarHBondContact O-N 2.83Å; S337-H340 PolarHBondContact OG-CE1 2.96Å; S337-H340 PolarHBondContact OG-ND1 2.89Å; H340-E343 PolarHBondContact O-N 2.91Å; H340-I344 WeakPolarHBondContact O-CB 3.44Å; H340-I344 WeakPolarHBondContact O-CD1 3.33Å; H340-I344 WeakPolarHBondContact O-CG1 3.39Å; H340-I344 PolarHBondContact O-N 2.8Å; H340-I397 HydrophobicContact CB-CG2 4.45Å; H340-I397 WeakPolarHBondContact CD2-CG2 3.24Å; H340-T398 PolarHBondContact NE2-OG1 3.13Å; H340-K401 PolarHBondContact CD2-NZ 2.9Å; H340-K401 PolarHBondContact CE1-NZ 3.13Å; H340-K401 PolarHBondContact ND1-NZ 2.75Å; H340-K401 PolarHBondContact NE2-NZ 3Å
341V95.6Very high94.2Very high13 Ų1357.6 Ų57.68%0.07932%0.316CS..Hα-helixtrans-57.2-49.4170.7177.40000110.6V335 S337 K338 E343 I344 V345 T365 P366 H372 F374V335-V341 HydrophobicContact CB-CG2 4.27Å; V335-V341 HydrophobicContact CG1-CG2 3.9Å; S337-V341 PolarHBondContact O-N 3.17Å; K338-V341 WeakPolarHBondContact O-CB 3.47Å; K338-V341 PolarHBondContact O-N 3.38Å; V341-E343 PolarHBondContact O-N 2.93Å; V341-I344 PolarHBondContact O-N 3.37Å; V341-V345 HydrophobicContact CG1-CG2 4.21Å; V341-V345 VanDerWaalsContact O-CB 3.3Å; V341-V345 WeakPolarHBondContact O-CB 3.43Å; V341-V345 WeakPolarHBondContact O-CG2 3.5Å; V341-V345 PolarHBondContact O-N 3.1Å; V341-T365 HydrophobicContact CG1-CG2 4.44Å; V341-P366 HydrophobicContact CG1-CG 3.87Å; V341-P366 HydrophobicContact CG2-CG 4.17Å; V341-H372 HydrophobicContact CG2-CB 3.93Å; V341-F374 HydrophobicContact CB-CE2 4.33Å; V341-F374 HydrophobicContact CB-CZ 4.29Å; V341-F374 HydrophobicContact CG1-CE2 4.17Å; V341-F374 HydrophobicContact CG1-CZ 3.76Å; V341-F374 HydrophobicContact CG2-CE2 4.08Å; V341-F374 HydrophobicContact CG2-CZ 4.5Å
342S93.6Very high94.1Very high71 Ų7157.7 Ų57.750%0.49732%0.316SS..Hα-helixtrans-66.7-33.1-17769.70000113.4K338 D339 G346K338-S342 PolarHBondContact O-N 2.96Å; D339-S342 WeakPolarHBondContact CA-OG 3.48Å; D339-S342 PolarHBondContact O-OG 2.88Å; D339-S342 VanDerWaalsContact O-OG 3.1Å; S342-G346 PolarHBondContact O-N 3.17Å
343E94.6Very high94Very high64 Ų6462.9 Ų62.930%0.29934%0.339SS..Hα-helixtrans-80.6-27.1177.4-152.6-150.3116.500113.8D339 H340 V341 K351 R393 I397D339-E343 PolarHBondContact O-N 3.34Å; D339-E343 VanDerWaalsContact O-N 3.16Å; H340-E343 PolarHBondContact O-N 2.91Å; V341-E343 PolarHBondContact O-N 2.93Å; E343-K351 VanDerWaalsContact O-CD 3.29Å; E343-K351 WeakPolarHBondContact O-CD 3.37Å; E343-K351 PolarHBondContact O-NZ 3.07Å; E343-K351 IonicContact OE1-NZ 3.78Å; E343-R393 IonicContact OE1-CZ 3.8Å; E343-R393 IonicContact OE1-NE 2.68Å; E343-R393 IonicContact OE1-NH2 2.91Å; E343-R393 PolarHBondContact OE1-NH2 3.22Å; E343-I397 HydrophobicContact CB-CD1 3.94Å; E343-I397 HydrophobicContact CG-CD1 4.45Å; E343-I397 WeakPolarHBondContact OE1-CG1 3.15Å; E343-I397 WeakPolarHBondContact OE2-CG2 3.3Å
344I95.8Very high93.9Very high2 Ų267.5 Ų67.51%0.0136%0.363CS..Hα-helixtrans-68.6-44.9167.4-72.3166000110.2V335 H340 V341 G346 K351 F374 L390 R393 A394 I397V335-I344 HydrophobicContact CG1-CD1 4.21Å; V335-I344 HydrophobicContact CG2-CD1 4.14Å; H340-I344 WeakPolarHBondContact O-CB 3.44Å; H340-I344 WeakPolarHBondContact O-CD1 3.33Å; H340-I344 WeakPolarHBondContact O-CG1 3.39Å; H340-I344 PolarHBondContact O-N 2.8Å; V341-I344 PolarHBondContact O-N 3.37Å; I344-G346 VanDerWaalsContact C-N 3.34Å; I344-K351 VanDerWaalsContact O-CB 3.25Å; I344-K351 WeakPolarHBondContact O-CB 3.43Å; I344-F374 HydrophobicContact CB-CE2 4.34Å; I344-F374 HydrophobicContact CB-CZ 3.97Å; I344-F374 HydrophobicContact CD1-CE2 4.05Å; I344-F374 HydrophobicContact CG2-CE1 4.06Å; I344-F374 HydrophobicContact CG2-CE2 3.97Å; I344-F374 HydrophobicContact CG2-CZ 3.52Å; I344-L390 HydrophobicContact CG2-CD2 3.71Å; I344-R393 HydrophobicContact CG1-CB 4.34Å; I344-R393 HydrophobicContact CG1-CG 3.89Å; I344-A394 HydrophobicContact CD1-CB 4.08Å; I344-I397 HydrophobicContact CD1-CD1 4.4Å; I344-I397 HydrophobicContact CG1-CD1 3.75Å
345V95.5Very high93.8Very high25 Ų2561.3 Ų61.315%0.15234%0.341CS..Hα-helixtrans-65.4-38.8177.3168.60000111.4V341 G349 K351 I352 T365 F374V341-V345 HydrophobicContact CG1-CG2 4.21Å; V341-V345 VanDerWaalsContact O-CB 3.3Å; V341-V345 WeakPolarHBondContact O-CB 3.43Å; V341-V345 WeakPolarHBondContact O-CG2 3.5Å; V341-V345 PolarHBondContact O-N 3.1Å; V345-G349 CarbonylContact O-C 3.52Å; V345-G349 VanDerWaalsContact O-CA 3.28Å; V345-G349 WeakPolarHBondContact O-CA 3.24Å; V345-K351 PolarHBondContact O-N 3.42Å; V345-I352 HydrophobicContact CB-CG2 4.2Å; V345-I352 HydrophobicContact CG1-CG2 3.94Å; V345-I352 HydrophobicContact CG2-CG2 4.21Å; V345-I352 PolarHBondContact O-N 3.1Å; V345-T365 HydrophobicContact CG2-CG2 3.4Å; V345-T365 VanDerWaalsContact CG2-CG2 3.4Å; V345-F374 HydrophobicContact CG2-CE1 3.86Å; V345-F374 HydrophobicContact CG2-CZ 3.94Å
346G93.8Very high93.7Very high15 Ų1564.9 Ų64.916%0.15535%0.354CS..  trans77.1167.1-176.800000113.1S342 I344 G348 G349S342-G346 PolarHBondContact O-N 3.17Å; I344-G346 VanDerWaalsContact C-N 3.34Å; G346-G348 PolarHBondContact O-N 2.92Å; G346-G349 PolarHBondContact O-N 2.88Å
347K92.7Very high93.7Very high197 Ų19766.6 Ų66.686%0.85735%0.354SS*.G310 helixtrans-57.8130176.2-65.2179.5-178.5175.80109.3G349 Q350K347-G349 PolarHBondContact O-N 3.37Å; K347-Q350 WeakPolarHBondContact O-CB 3.48Å; K347-Q350 PolarHBondContact O-N 3.18Å
348G89.6Confident93.5Very high96 Ų9672.1 Ų72.199%0.9938%0.377SS*.G310 helixtrans638.3-176.900000116G346G346-G348 PolarHBondContact O-N 2.92Å
349G92.6Very high93.5Very high18 Ų1869.2 Ų69.219%0.18637%0.367CS..G310 helixtrans80.211.3-173.100000115.1V345 G346 K347 K351 I352 K353V345-G349 CarbonylContact O-C 3.52Å; V345-G349 VanDerWaalsContact O-CA 3.28Å; V345-G349 WeakPolarHBondContact O-CA 3.24Å; G346-G349 PolarHBondContact O-N 2.88Å; K347-G349 PolarHBondContact O-N 3.37Å; G349-K351 PolarHBondContact O-N 3.08Å; G349-I352 WeakPolarHBondContact O-CG2 3.23Å; G349-I352 PolarHBondContact O-N 3.31Å; G349-K353 VanDerWaalsContact O-CB 3.27Å; G349-K353 WeakPolarHBondContact O-CB 3.27Å; G349-K353 PolarHBondContact O-N 3.35Å
350Q93.6Very high93.2Very high149 Ų14967.6 Ų67.670%0.69637%0.373SS*.Hα-helixtrans-60.1-41.5-172.4-172.1178.95.700113.6K347 K353 L354K347-Q350 WeakPolarHBondContact O-CB 3.48Å; K347-Q350 PolarHBondContact O-N 3.18Å; Q350-K353 PolarHBondContact O-N 2.64Å; Q350-L354 PolarHBondContact O-N 3.34Å
351K95.2Very high93.1Very high86 Ų8667 Ų6737%0.37437%0.371SS..Hα-helixtrans-66.9-49-179.7-72.1-175.8-178.9-178.90111.5E343 I344 V345 G349 K353 L354 I355E343-K351 VanDerWaalsContact O-CD 3.29Å; E343-K351 WeakPolarHBondContact O-CD 3.37Å; E343-K351 PolarHBondContact O-NZ 3.07Å; E343-K351 IonicContact OE1-NZ 3.78Å; I344-K351 VanDerWaalsContact O-CB 3.25Å; I344-K351 WeakPolarHBondContact O-CB 3.43Å; V345-K351 PolarHBondContact O-N 3.42Å; G349-K351 PolarHBondContact O-N 3.08Å; K351-K353 VanDerWaalsContact C-N 3.28Å; K351-K353 PolarHBondContact O-N 3.31Å; K351-L354 PolarHBondContact O-N 2.79Å; K351-I355 WeakPolarHBondContact O-CG1 3.3Å; K351-I355 PolarHBondContact O-N 3.07Å
352I94.9Very high93Very high2 Ų271 Ų711%0.0139%0.391CS..Hα-helixtrans-70.2-26.3179.2-167.962.4000112.2V345 G349 I355 R356 I363 L390V345-I352 HydrophobicContact CB-CG2 4.2Å; V345-I352 HydrophobicContact CG1-CG2 3.94Å; V345-I352 HydrophobicContact CG2-CG2 4.21Å; V345-I352 PolarHBondContact O-N 3.1Å; G349-I352 WeakPolarHBondContact O-CG2 3.23Å; G349-I352 PolarHBondContact O-N 3.31Å; I352-I355 HydrophobicContact CD1-CD1 4.47Å; I352-R356 VanDerWaalsContact O-CG 3.23Å; I352-R356 WeakPolarHBondContact O-CG 3.42Å; I352-R356 PolarHBondContact O-N 2.94Å; I352-R356 VanDerWaalsContact O-N 3.11Å; I352-I363 HydrophobicContact CD1-CB 4.21Å; I352-I363 HydrophobicContact CD1-CD1 3.68Å; I352-I363 HydrophobicContact CD1-CG2 4.01Å; I352-L390 HydrophobicContact CD1-CD2 4.32Å
353K93.3Very high93Very high109 Ų10967.8 Ų67.847%0.47437%0.368SS..Hα-helixtrans-64.2-49169.2-179177.7177.3-650110.7G349 Q350 K351 I355 R356 E357G349-K353 VanDerWaalsContact O-CB 3.27Å; G349-K353 WeakPolarHBondContact O-CB 3.27Å; G349-K353 PolarHBondContact O-N 3.35Å; Q350-K353 PolarHBondContact O-N 2.64Å; K351-K353 VanDerWaalsContact C-N 3.28Å; K351-K353 PolarHBondContact O-N 3.31Å; K353-I355 PolarHBondContact O-N 3.41Å; K353-R356 PolarHBondContact O-N 2.92Å; K353-E357 WeakPolarHBondContact CE-OE1 3.19Å; K353-E357 VanDerWaalsContact CG-OE1 3.28Å; K353-E357 WeakPolarHBondContact CG-OE1 3.46Å; K353-E357 IonicContact NZ-OE1 3.48Å; K353-E357 PolarHBondContact NZ-OE1 2.74Å; K353-E357 IonicContact NZ-OE2 3.7Å; K353-E357 PolarHBondContact NZ-OE2 2.63Å; K353-E357 WeakPolarHBondContact O-CB 3.43Å; K353-E357 WeakPolarHBondContact O-CG 3.36Å; K353-E357 PolarHBondContact O-N 3.47Å
354L94.4Very high93Very high101 Ų10167.7 Ų67.753%0.52937%0.372SS..Hα-helixtrans-58.6-46.9176-175.2150000111.9Q350 K351 R356 E357 E358Q350-L354 PolarHBondContact O-N 3.34Å; K351-L354 PolarHBondContact O-N 2.79Å; L354-R356 VanDerWaalsContact C-N 3.32Å; L354-R356 PolarHBondContact O-N 3.46Å; L354-E357 PolarHBondContact O-N 2.83Å; L354-E357 VanDerWaalsContact O-N 3.08Å; L354-E358 WeakPolarHBondContact CD2-OE2 3.3Å; L354-E358 WeakPolarHBondContact O-CB 3.46Å; L354-E358 PolarHBondContact O-N 3.17Å
355I94Very high92.9Very high17 Ų1769.6 Ų69.69%0.08738%0.384CS..Hα-helixtrans-60.5-40.4177.8-62.6164.8000111.5K351 I352 K353 E357 T359 I363 L390K351-I355 WeakPolarHBondContact O-CG1 3.3Å; K351-I355 PolarHBondContact O-N 3.07Å; I352-I355 HydrophobicContact CD1-CD1 4.47Å; K353-I355 PolarHBondContact O-N 3.41Å; I355-E357 VanDerWaalsContact C-N 3.34Å; I355-T359 WeakPolarHBondContact O-CB 3.42Å; I355-T359 WeakPolarHBondContact O-CG2 3.45Å; I355-T359 PolarHBondContact O-N 3.06Å; I355-T359 VanDerWaalsContact O-N 3.11Å; I355-T359 PolarHBondContact O-OG1 3.25Å; I355-I363 HydrophobicContact CB-CD1 4.46Å; I355-I363 HydrophobicContact CG2-CD1 3.69Å; I355-L390 HydrophobicContact CD1-CD2 4.16Å
356R93.6Very high92.7Very high82 Ų8269 Ų6931%0.30938%0.38SS..Hα-helixtrans-64.4-37.4175-71.7172.9-174.6127.41.8112.3I352 K353 L354 G360 A361 I363 T365I352-R356 VanDerWaalsContact O-CG 3.23Å; I352-R356 WeakPolarHBondContact O-CG 3.42Å; I352-R356 PolarHBondContact O-N 2.94Å; I352-R356 VanDerWaalsContact O-N 3.11Å; K353-R356 PolarHBondContact O-N 2.92Å; L354-R356 VanDerWaalsContact C-N 3.32Å; L354-R356 PolarHBondContact O-N 3.46Å; R356-G360 VanDerWaalsContact O-CA 3.27Å; R356-G360 WeakPolarHBondContact O-CA 3.48Å; R356-G360 PolarHBondContact O-N 2.79Å; R356-A361 WeakPolarHBondContact CG-O 3.36Å; R356-I363 HydrophobicContact CG-CB 4.23Å; R356-I363 HydrophobicContact CG-CD1 4.17Å; R356-I363 HydrophobicContact CG-CG1 4.22Å; R356-I363 VanDerWaalsContact CZ-O 3.23Å; R356-I363 PolarHBondContact NE-O 3.49Å; R356-I363 PolarHBondContact NH2-O 3.43Å; R356-T365 PolarHBondContact NH2-OG1 3.46Å
357E91.7Very high92.4Very high123 Ų12369.9 Ų69.958%0.57539%0.389SS*.Hα-helixtrans-76.4-40.3-177.6-74.9165.1177.100112K353 L354 I355K353-E357 WeakPolarHBondContact CE-OE1 3.19Å; K353-E357 VanDerWaalsContact CG-OE1 3.28Å; K353-E357 WeakPolarHBondContact CG-OE1 3.46Å; K353-E357 IonicContact NZ-OE1 3.48Å; K353-E357 PolarHBondContact NZ-OE1 2.74Å; K353-E357 IonicContact NZ-OE2 3.7Å; K353-E357 PolarHBondContact NZ-OE2 2.63Å; K353-E357 WeakPolarHBondContact O-CB 3.43Å; K353-E357 WeakPolarHBondContact O-CG 3.36Å; K353-E357 PolarHBondContact O-N 3.47Å; L354-E357 PolarHBondContact O-N 2.83Å; L354-E357 VanDerWaalsContact O-N 3.08Å; I355-E357 VanDerWaalsContact C-N 3.34Å
358E89.9Confident91.9Very high143 Ų14367.5 Ų67.567%0.66838%0.381SS*.Hα-helixtrans-68-37.1175.9-174.6-171.8162.500112.7L354L354-E358 WeakPolarHBondContact CD2-OE2 3.3Å; L354-E358 WeakPolarHBondContact O-CB 3.46Å; L354-E358 PolarHBondContact O-N 3.17Å
359T90.7Very high91.5Very high32 Ų3271.2 Ų71.220%0.19637%0.373CS..Hα-helixtrans-105.7-9.3-172.566.80000114.7I355 A361 I382 V386I355-T359 WeakPolarHBondContact O-CB 3.42Å; I355-T359 WeakPolarHBondContact O-CG2 3.45Å; I355-T359 PolarHBondContact O-N 3.06Å; I355-T359 VanDerWaalsContact O-N 3.11Å; I355-T359 PolarHBondContact O-OG1 3.25Å; T359-A361 PolarHBondContact O-N 3.46Å; T359-A361 VanDerWaalsContact O-N 3.1Å; T359-A361 WeakPolarHBondContact OG1-CB 3.41Å; T359-A361 PolarHBondContact OG1-N 3.09Å; T359-I382 VanDerWaalsContact O-CG2 3.3Å; T359-I382 WeakPolarHBondContact O-CG2 3.49Å; T359-V386 HydrophobicContact CG2-CG2 3.85Å
360G88.4Confident91.2Very high60 Ų6072.1 Ų72.162%0.61937%0.372SS*.  trans654.2-17200000114.8R356R356-G360 VanDerWaalsContact O-CA 3.27Å; R356-G360 WeakPolarHBondContact O-CA 3.48Å; R356-G360 PolarHBondContact O-N 2.79Å
361A91.8Very high91Very high3 Ų368.4 Ų68.43%0.02536%0.355CS..  trans-77.9133.3-172.800000112.8R356 T359 I363 I376 A378 I382 V386R356-A361 WeakPolarHBondContact CG-O 3.36Å; T359-A361 PolarHBondContact O-N 3.46Å; T359-A361 VanDerWaalsContact O-N 3.1Å; T359-A361 WeakPolarHBondContact OG1-CB 3.41Å; T359-A361 PolarHBondContact OG1-N 3.09Å; A361-I363 HydrophobicContact CB-CG1 4.05Å; A361-I363 PolarHBondContact O-N 3.44Å; A361-I376 HydrophobicContact CB-CG2 4.39Å; A361-A378 HydrophobicContact CB-CB 3.8Å; A361-I382 HydrophobicContact CB-CG2 4.24Å; A361-V386 HydrophobicContact CB-CG2 3.95Å
362L92.8Very high91Very high97 Ų9767.2 Ų67.251%0.50835%0.35SS..EExtended strand (participates in β ladder)trans-78.488.5171.1178.261.4000109.8E377L362-E377 HydrophobicContact CB-CB 4.19Å; L362-E377 WeakPolarHBondContact CB-O 3.27Å; L362-E377 HydrophobicContact CD2-CB 4.47Å; L362-E377 PolarHBondContact N-O 2.91Å; L362-E377 PolarHBondContact O-N 3.44Å
363I94.9Very high91Very high2 Ų267.2 Ų67.21%0.0135%0.351CS..EExtended strand (participates in β ladder)trans-93.5116.9176.9-45.4167.7000109.9I352 I355 R356 A361 F374 I375 I376 V386 L390I352-I363 HydrophobicContact CD1-CB 4.21Å; I352-I363 HydrophobicContact CD1-CD1 3.68Å; I352-I363 HydrophobicContact CD1-CG2 4.01Å; I355-I363 HydrophobicContact CB-CD1 4.46Å; I355-I363 HydrophobicContact CG2-CD1 3.69Å; R356-I363 HydrophobicContact CG-CB 4.23Å; R356-I363 HydrophobicContact CG-CD1 4.17Å; R356-I363 HydrophobicContact CG-CG1 4.22Å; R356-I363 VanDerWaalsContact CZ-O 3.23Å; R356-I363 PolarHBondContact NE-O 3.49Å; R356-I363 PolarHBondContact NH2-O 3.43Å; A361-I363 HydrophobicContact CB-CG1 4.05Å; A361-I363 PolarHBondContact O-N 3.44Å; I363-F374 HydrophobicContact CG2-CB 4.24Å; I363-F374 HydrophobicContact CG2-CD1 4.11Å; I363-I375 CarbonylContact C-O 3.1Å; I363-I375 WeakPolarHBondContact CA-O 3.26Å; I363-I376 HydrophobicContact CG1-CG1 4.44Å; I363-I376 HydrophobicContact CG2-CG1 4.22Å; I363-V386 HydrophobicContact CD1-CG1 3.5Å; I363-V386 VanDerWaalsContact CD1-CG1 3.5Å; I363-V386 HydrophobicContact CG1-CG1 3.96Å; I363-L390 HydrophobicContact CG2-CD1 4.14Å
364T94.4Very high91.2Very high62 Ų6262 Ų6238%0.3833%0.328SS..EExtended strand (participates in β ladder)trans-83.4127168.9-50.80000109.6I375T364-I375 PolarHBondContact N-O 3.3Å; T364-I375 PolarHBondContact O-N 3.3Å
365T94.1Very high91.2Very high42 Ų4258.1 Ų58.126%0.25831%0.308SS..PPolyproline II helixtrans-88131.5174.8-57.50000109.4V341 V345 R356 F374V341-T365 HydrophobicContact CG1-CG2 4.44Å; V345-T365 HydrophobicContact CG2-CG2 3.4Å; V345-T365 VanDerWaalsContact CG2-CG2 3.4Å; R356-T365 PolarHBondContact NH2-OG1 3.46Å; T365-F374 HydrophobicContact CG2-CE1 4.08Å
366P91.4Very high91.3Very high13 Ų1357.3 Ų57.38%0.08430%0.303CS..PPolyproline II helixtrans-67.6139.617827.1-33.5000111.7V341 E370 E371V341-P366 HydrophobicContact CG1-CG 3.87Å; V341-P366 HydrophobicContact CG2-CG 4.17Å; P366-E370 WeakPolarHBondContact CA-OE2 3.1Å; P366-E370 HydrophobicContact CB-CB 4.33Å; P366-E371 WeakPolarHBondContact CB-O 3.41Å
367G86.9Confident91.4Very high33 Ų3354.2 Ų54.234%0.3429%0.292SS..PPolyproline II helixtrans-72.3170.1176.800000114.2Q369 E370G367-Q369 PolarHBondContact O-N 3.18Å; G367-E370 PolarHBondContact N-OE2 2.85Å; G367-E370 PolarHBondContact O-N 3.27Å; G367-E370 VanDerWaalsContact O-N 3.09Å
368E82.4Confident91.4Very high147 Ų14748.3 Ų48.369%0.68727%0.265SS*.THydrogen-bonded Turntrans-61.6-26.6-176.2172156.7-122.500114.6K338K338-E368 IonicContact NZ-OE1 2.77Å; K338-E368 PolarHBondContact NZ-OE1 2.8Å
369Q81Confident91.5Very high175 Ų17543.4 Ų43.482%0.81825%0.246SC*.THydrogen-bonded Turntrans-108.610.8179.2-60.4179.80.600112.4G367G367-Q369 PolarHBondContact O-N 3.18Å
370E85.3Confident91.5Very high36 Ų3642.2 Ų42.217%0.16824%0.238CC..SBendtrans-102.5160.1-177.4-59.2-176.5163.100111.6S298 P366 G367 H372S298-E370 WeakPolarHBondContact CA-OE1 3.25Å; S298-E370 WeakPolarHBondContact CB-OE1 3.25Å; S298-E370 VanDerWaalsContact OG-CD 3.26Å; S298-E370 PolarHBondContact OG-OE1 2.75Å; S298-E370 PolarHBondContact OG-OE2 2.65Å; P366-E370 WeakPolarHBondContact CA-OE2 3.1Å; P366-E370 HydrophobicContact CB-CB 4.33Å; G367-E370 PolarHBondContact N-OE2 2.85Å; G367-E370 PolarHBondContact O-N 3.27Å; G367-E370 VanDerWaalsContact O-N 3.09Å; E370-H372 PolarHBondContact O-ND1 2.93Å
371E90.2Very high91.7Very high72 Ų7244.1 Ų44.134%0.33623%0.231SC..  trans-61143.1171.3-167.4170.6-16400110R334 P366 V373R334-E371 IonicContact CZ-OE1 3.61Å; R334-E371 IonicContact NE-OE1 3.74Å; R334-E371 IonicContact NH1-OE1 3.54Å; R334-E371 PolarHBondContact NH1-OE1 3.36Å; R334-E371 IonicContact NH2-OE1 2.79Å; R334-E371 PolarHBondContact NH2-OE1 3.18Å; P366-E371 WeakPolarHBondContact CB-O 3.41Å; E371-V373 HydrophobicContact CG-CG2 4.08Å; E371-V373 PolarHBondContact O-N 3.22Å
372H94.2Very high91.8Very high60 Ų6046.6 Ų46.628%0.27824%0.243SC..SBendtrans-76.164.7-172.9-55.4-20.1000112V335 S337 K338 V341 E370V335-H372 PolarHBondContact N-O 3.15Å; V335-H372 WeakPolarHBondContact O-CB 3.33Å; S337-H372 VanDerWaalsContact C-CD2 3.44Å; S337-H372 VanDerWaalsContact CA-CD2 3.5Å; S337-H372 WeakPolarHBondContact CA-CD2 3.35Å; K338-H372 PolarHBondContact N-CD2 2.99Å; K338-H372 VanDerWaalsContact N-CD2 3.3Å; K338-H372 PolarHBondContact N-NE2 2.79Å; K338-H372 VanDerWaalsContact N-NE2 3.15Å; V341-H372 HydrophobicContact CG2-CB 3.93Å; E370-H372 PolarHBondContact O-ND1 2.93Å
373V95.9Very high91.9Very high3 Ų342 Ų422%0.01822%0.219CC..EExtended strand (participates in β ladder)trans-127.2119.6-176.1175.20000109.5I286 I294 V333 R334 E371 I375I286-V373 HydrophobicContact CD1-CG1 4.21Å; I286-V373 HydrophobicContact CD1-CG2 3.89Å; I294-V373 HydrophobicContact CD1-CG1 4.42Å; I294-V373 HydrophobicContact CD1-CG2 4.23Å; I294-V373 HydrophobicContact CG2-CB 4.24Å; I294-V373 HydrophobicContact CG2-CG1 4.35Å; V333-V373 CarbonylContact O-C 3.57Å; V333-V373 VanDerWaalsContact O-CA 3.28Å; V333-V373 WeakPolarHBondContact O-CA 3.22Å; R334-V373 HydrophobicContact CB-CG2 4.16Å; R334-V373 HydrophobicContact CG-CG2 4.1Å; E371-V373 HydrophobicContact CG-CG2 4.08Å; E371-V373 PolarHBondContact O-N 3.22Å; V373-I375 HydrophobicContact CG1-CG1 4.48Å
374F96.6Very high91.9Very high0 Ų043.3 Ų43.30%023%0.226CC..EExtended strand (participates in β ladder)trans-80.5127.1168.5-69.9-93.7000109.1G332 V333 V335 V341 I344 V345 I363 T365 L390G332-F374 CarbonylContact C-O 3.59Å; G332-F374 VanDerWaalsContact CA-O 3.31Å; G332-F374 WeakPolarHBondContact CA-O 3.38Å; V333-F374 PolarHBondContact N-O 2.83Å; V333-F374 PolarHBondContact O-N 3.3Å; V335-F374 HydrophobicContact CG2-CD2 3.84Å; V335-F374 HydrophobicContact CG2-CE2 3.93Å; V341-F374 HydrophobicContact CB-CE2 4.33Å; V341-F374 HydrophobicContact CB-CZ 4.29Å; V341-F374 HydrophobicContact CG1-CE2 4.17Å; V341-F374 HydrophobicContact CG1-CZ 3.76Å; V341-F374 HydrophobicContact CG2-CE2 4.08Å; V341-F374 HydrophobicContact CG2-CZ 4.5Å; I344-F374 HydrophobicContact CB-CE2 4.34Å; I344-F374 HydrophobicContact CB-CZ 3.97Å; I344-F374 HydrophobicContact CD1-CE2 4.05Å; I344-F374 HydrophobicContact CG2-CE1 4.06Å; I344-F374 HydrophobicContact CG2-CE2 3.97Å; I344-F374 HydrophobicContact CG2-CZ 3.52Å; V345-F374 HydrophobicContact CG2-CE1 3.86Å; V345-F374 HydrophobicContact CG2-CZ 3.94Å; I363-F374 HydrophobicContact CG2-CB 4.24Å; I363-F374 HydrophobicContact CG2-CD1 4.11Å; T365-F374 HydrophobicContact CG2-CE1 4.08Å; F374-L390 HydrophobicContact CB-CD1 3.81Å; F374-L390 HydrophobicContact CD1-CD1 4.38Å; F374-L390 HydrophobicContact CG-CD1 4.04Å
375I96.1Very high91.9Very high18 Ų1849 Ų499%0.09224%0.24CC..EExtended strand (participates in β ladder)trans-101.1119.6178.1-57.9151.4000108.1L291 K295 L331 I363 T364 V373L291-I375 HydrophobicContact CD1-CG1 4.13Å; L291-I375 HydrophobicContact CD1-CG2 4.27Å; K295-I375 HydrophobicContact CD-CG2 4.31Å; K295-I375 HydrophobicContact CG-CD1 3.73Å; K295-I375 HydrophobicContact CG-CG1 4.4Å; K295-I375 HydrophobicContact CG-CG2 4.33Å; L331-I375 CarbonylContact O-C 3.6Å; L331-I375 WeakPolarHBondContact O-CA 3.31Å; I363-I375 CarbonylContact C-O 3.1Å; I363-I375 WeakPolarHBondContact CA-O 3.26Å; T364-I375 PolarHBondContact N-O 3.3Å; T364-I375 PolarHBondContact O-N 3.3Å; V373-I375 HydrophobicContact CG1-CG1 4.48Å
376I95.8Very high92Very high0 Ų047.2 Ų47.20%023%0.229CC..EExtended strand (participates in β ladder)trans-105133.4-177.8-56157.1000108.6Q330 L331 V333 A361 I363 A378 A383 V386 A387 L390Q330-I376 VanDerWaalsContact CA-O 3.29Å; Q330-I376 WeakPolarHBondContact CA-O 3.38Å; L331-I376 PolarHBondContact N-O 3.03Å; L331-I376 PolarHBondContact O-N 3.22Å; V333-I376 HydrophobicContact CG2-CD1 3.78Å; A361-I376 HydrophobicContact CB-CG2 4.39Å; I363-I376 HydrophobicContact CG1-CG1 4.44Å; I363-I376 HydrophobicContact CG2-CG1 4.22Å; I376-A378 HydrophobicContact CG2-CB 4.36Å; I376-A383 HydrophobicContact CG2-CB 4.36Å; I376-V386 HydrophobicContact CD1-CB 4.28Å; I376-V386 HydrophobicContact CD1-CG1 3.76Å; I376-V386 HydrophobicContact CG1-CG1 3.96Å; I376-V386 HydrophobicContact CG2-CB 4.32Å; I376-V386 HydrophobicContact CG2-CG1 4.1Å; I376-A387 VanDerWaalsContact CD1-CA 3.48Å; I376-A387 HydrophobicContact CD1-CB 3.67Å; I376-L390 HydrophobicContact CD1-CD1 4.18Å; I376-L390 HydrophobicContact CG1-CD1 4.33Å
377E94.2Very high92.3Very high17 Ų1746.6 Ų46.68%0.07923%0.225CC..EExtended strand (participates in β ladder)trans-126.4109.2168.8176.4159.2-137.700109K325 Y328 L329 Q330 L362K325-E377 WeakPolarHBondContact CE-OE1 3.28Å; K325-E377 WeakPolarHBondContact CE-OE2 3.39Å; K325-E377 IonicContact NZ-OE1 2.63Å; K325-E377 PolarHBondContact NZ-OE1 3.45Å; K325-E377 IonicContact NZ-OE2 2.74Å; K325-E377 PolarHBondContact NZ-OE2 3.46Å; Y328-E377 HydrophobicContact CD1-CG 3.74Å; Y328-E377 HydrophobicContact CG-CG 4.32Å; L329-E377 WeakPolarHBondContact O-CA 3.2Å; Q330-E377 HydrophobicContact CG-CB 4.09Å; Q330-E377 HydrophobicContact CG-CG 4.05Å; Q330-E377 PolarHBondContact NE2-OE1 2.93Å; L362-E377 HydrophobicContact CB-CB 4.19Å; L362-E377 WeakPolarHBondContact CB-O 3.27Å; L362-E377 HydrophobicContact CD2-CB 4.47Å; L362-E377 PolarHBondContact N-O 2.91Å; L362-E377 PolarHBondContact O-N 3.44Å
378A92.8Very high92.8Very high0 Ų050.1 Ų50.10%023%0.233CC..EExtended strand (participates in β ladder)trans-156.5168.7-178.200000110.8Y328 L329 A361 I376 I382 A383Y328-A378 CarbonylContact C-O 3.03Å; Y328-A378 WeakPolarHBondContact CA-O 3.49Å; L329-A378 PolarHBondContact N-O 3Å; L329-A378 PolarHBondContact O-N 2.75Å; A361-A378 HydrophobicContact CB-CB 3.8Å; I376-A378 HydrophobicContact CG2-CB 4.36Å; A378-I382 HydrophobicContact CB-CB 4.08Å; A378-I382 HydrophobicContact CB-CG2 3.83Å; A378-A383 HydrophobicContact CB-CB 4.07Å
379P91.2Very high93.4Very high40 Ų4048 Ų4826%0.2622%0.222SC..  trans-52.6149.2164.4-25.535.7000111.5E381 I382 A383P379-E381 VanDerWaalsContact C-N 3.33Å; P379-E381 PolarHBondContact O-N 2.86Å; P379-E381 VanDerWaalsContact O-N 3.17Å; P379-I382 HydrophobicContact CB-CD1 4.45Å; P379-I382 HydrophobicContact CG-CD1 4.21Å; P379-I382 PolarHBondContact O-N 3.18Å; P379-I382 VanDerWaalsContact O-N 3.1Å; P379-A383 WeakPolarHBondContact O-CB 3.39Å; P379-A383 PolarHBondContact O-N 2.87Å
380P91.9Very high94.1Very high6 Ų639.6 Ų39.64%0.03918%0.183CC..Hα-helixtrans-54.4-42.1-165.3-27.334.7000115.6L268 Y276 L329 A383 M384L268-P380 HydrophobicContact CD1-CG 3.92Å; L268-P380 HydrophobicContact CD2-CG 3.7Å; L268-P380 HydrophobicContact CG-CG 4.44Å; Y276-P380 HydrophobicContact CD1-CB 4Å; Y276-P380 HydrophobicContact CD2-CB 3.47Å; Y276-P380 VanDerWaalsContact CD2-CB 3.47Å; Y276-P380 HydrophobicContact CD2-CG 3.9Å; Y276-P380 HydrophobicContact CE1-CB 3.89Å; Y276-P380 HydrophobicContact CE2-CB 3.3Å; Y276-P380 HydrophobicContact CE2-CG 3.79Å; Y276-P380 HydrophobicContact CG-CB 3.81Å; L329-P380 HydrophobicContact CB-CB 4.29Å; L329-P380 HydrophobicContact CB-CG 4.25Å; L329-P380 HydrophobicContact CD2-CB 4.14Å; P380-A383 PolarHBondContact O-N 2.93Å; P380-M384 WeakPolarHBondContact O-CB 3.23Å; P380-M384 WeakPolarHBondContact O-CG 3.44Å; P380-M384 PolarHBondContact O-N 2.91Å
381E92.2Very high94.6Very high100 Ų10039.6 Ų39.647%0.46719%0.189SC..Hα-helixtrans-68.4-40-176.5-55.967.6-145.400110.4Y276 P379 R385Y276-E381 PolarHBondContact OH-OE1 2.79Å; P379-E381 VanDerWaalsContact C-N 3.33Å; P379-E381 PolarHBondContact O-N 2.86Å; P379-E381 VanDerWaalsContact O-N 3.17Å; E381-R385 WeakPolarHBondContact O-CB 3.44Å; E381-R385 PolarHBondContact O-N 3.28Å; E381-R385 VanDerWaalsContact O-N 3.11Å
382I93.4Very high94.9Very high55 Ų5538.4 Ų38.428%0.28219%0.187SC..Hα-helixtrans-71.7-44.3175.2-59.8-179.6000109.9T359 A361 A378 P379 M384 R385 V386T359-I382 VanDerWaalsContact O-CG2 3.3Å; T359-I382 WeakPolarHBondContact O-CG2 3.49Å; A361-I382 HydrophobicContact CB-CG2 4.24Å; A378-I382 HydrophobicContact CB-CB 4.08Å; A378-I382 HydrophobicContact CB-CG2 3.83Å; P379-I382 HydrophobicContact CB-CD1 4.45Å; P379-I382 HydrophobicContact CG-CD1 4.21Å; P379-I382 PolarHBondContact O-N 3.18Å; P379-I382 VanDerWaalsContact O-N 3.1Å; I382-M384 VanDerWaalsContact C-N 3.34Å; I382-M384 PolarHBondContact O-N 3.22Å; I382-R385 PolarHBondContact O-N 3.02Å; I382-V386 HydrophobicContact CG2-CG2 4.24Å; I382-V386 WeakPolarHBondContact O-CB 3.31Å; I382-V386 WeakPolarHBondContact O-CG2 3.28Å; I382-V386 PolarHBondContact O-N 2.81Å
383A94.7Very high94.9Very high0 Ų039.1 Ų39.10%019%0.187CC..Hα-helixtrans-58.6-46178.700000111.2L329 L331 I376 A378 P379 P380 A387L329-A383 HydrophobicContact CB-CB 4.06Å; L329-A383 HydrophobicContact CD2-CB 4.21Å; L331-A383 HydrophobicContact CD1-CB 3.96Å; L331-A383 HydrophobicContact CG-CB 4.35Å; I376-A383 HydrophobicContact CG2-CB 4.36Å; A378-A383 HydrophobicContact CB-CB 4.07Å; P379-A383 WeakPolarHBondContact O-CB 3.39Å; P379-A383 PolarHBondContact O-N 2.87Å; P380-A383 PolarHBondContact O-N 2.93Å; A383-A387 WeakPolarHBondContact O-CB 3.3Å; A383-A387 PolarHBondContact O-N 2.82Å
384M95.4Very high94.9Very high31 Ų3139.3 Ų39.315%0.15319%0.189CC..Hα-helixtrans-64.3-43.2175.4-75.3-61.8-58.300112.4Y276 I279 A280 F285 L331 P380 I382 A387 H388Y276-M384 HydrophobicContact CD1-CG 4.42Å; I279-M384 HydrophobicContact CG2-CE 3.71Å; I279-M384 HydrophobicContact CG2-SD 4.42Å; A280-M384 HydrophobicContact CB-SD 4.07Å; F285-M384 HydrophobicContact CD2-CE 4.22Å; F285-M384 HydrophobicContact CD2-SD 4.17Å; F285-M384 HydrophobicContact CE2-CE 3.82Å; F285-M384 HydrophobicContact CE2-SD 4.23Å; L331-M384 HydrophobicContact CD1-CG 4.42Å; L331-M384 HydrophobicContact CD1-SD 3.82Å; P380-M384 WeakPolarHBondContact O-CB 3.23Å; P380-M384 WeakPolarHBondContact O-CG 3.44Å; P380-M384 PolarHBondContact O-N 2.91Å; I382-M384 VanDerWaalsContact C-N 3.34Å; I382-M384 PolarHBondContact O-N 3.22Å; M384-A387 PolarHBondContact O-N 2.79Å; M384-H388 WeakPolarHBondContact O-CB 3.47Å; M384-H388 PolarHBondContact O-N 2.79Å
385R95.1Very high94.8Very high182 Ų18245 Ų4569%0.68722%0.215SC*.Hα-helixtrans-61.6-47.6177.6-170.5-174-59.8-176.21.3111.9E381 I382 H388 H389E381-R385 WeakPolarHBondContact O-CB 3.44Å; E381-R385 PolarHBondContact O-N 3.28Å; E381-R385 VanDerWaalsContact O-N 3.11Å; I382-R385 PolarHBondContact O-N 3.02Å; R385-H388 PolarHBondContact O-N 3.24Å; R385-H389 WeakPolarHBondContact O-CB 3.49Å; R385-H389 PolarHBondContact O-N 3.44Å
386V96.3Very high94.7Very high3 Ų347.6 Ų47.62%0.01823%0.227CC..Hα-helixtrans-64.2-42176.2173.60000110.8T359 A361 I363 I376 I382 H388 H389 L390T359-V386 HydrophobicContact CG2-CG2 3.85Å; A361-V386 HydrophobicContact CB-CG2 3.95Å; I363-V386 HydrophobicContact CD1-CG1 3.5Å; I363-V386 VanDerWaalsContact CD1-CG1 3.5Å; I363-V386 HydrophobicContact CG1-CG1 3.96Å; I376-V386 HydrophobicContact CD1-CB 4.28Å; I376-V386 HydrophobicContact CD1-CG1 3.76Å; I376-V386 HydrophobicContact CG1-CG1 3.96Å; I376-V386 HydrophobicContact CG2-CB 4.32Å; I376-V386 HydrophobicContact CG2-CG1 4.1Å; I382-V386 HydrophobicContact CG2-CG2 4.24Å; I382-V386 WeakPolarHBondContact O-CB 3.31Å; I382-V386 WeakPolarHBondContact O-CG2 3.28Å; I382-V386 PolarHBondContact O-N 2.81Å; V386-H388 VanDerWaalsContact C-N 3.35Å; V386-H388 PolarHBondContact O-N 2.93Å; V386-H389 PolarHBondContact O-N 3.3Å; V386-L390 HydrophobicContact CG1-CD1 4.18Å; V386-L390 HydrophobicContact CG1-CG 4.3Å; V386-L390 WeakPolarHBondContact O-CG 3.29Å; V386-L390 PolarHBondContact O-N 3.48Å
387A97.2Very high94.6Very high0 Ų047.6 Ų47.60%023%0.227CC..Hα-helixtrans-61.6-44179.100000111.9F285 L331 V333 I376 A383 M384 A391F285-A387 HydrophobicContact CD1-CB 4.19Å; F285-A387 HydrophobicContact CD2-CB 3.78Å; F285-A387 HydrophobicContact CE1-CB 3.97Å; F285-A387 HydrophobicContact CE2-CB 3.52Å; F285-A387 HydrophobicContact CG-CB 4.13Å; F285-A387 HydrophobicContact CZ-CB 3.64Å; L331-A387 HydrophobicContact CD1-CB 3.89Å; V333-A387 HydrophobicContact CG2-CB 3.76Å; I376-A387 VanDerWaalsContact CD1-CA 3.48Å; I376-A387 HydrophobicContact CD1-CB 3.67Å; A383-A387 WeakPolarHBondContact O-CB 3.3Å; A383-A387 PolarHBondContact O-N 2.82Å; M384-A387 PolarHBondContact O-N 2.79Å; A387-A391 WeakPolarHBondContact O-CB 3.2Å; A387-A391 PolarHBondContact O-N 2.99Å; A387-A391 VanDerWaalsContact O-N 3.11Å
388H96.5Very high94.5Very high108 Ų10849 Ų4950%0.524%0.237SC..Hα-helixtrans-61.5-49.9173.2-168.3-79.6000111.5M384 R385 V386 L390 A391 T392M384-H388 WeakPolarHBondContact O-CB 3.47Å; M384-H388 PolarHBondContact O-N 2.79Å; R385-H388 PolarHBondContact O-N 3.24Å; V386-H388 VanDerWaalsContact C-N 3.35Å; V386-H388 PolarHBondContact O-N 2.93Å; H388-L390 PolarHBondContact O-N 2.85Å; H388-A391 PolarHBondContact O-N 3.17Å; H388-A391 VanDerWaalsContact O-N 3.12Å; H388-T392 PolarHBondContact CE1-OG1 2.86Å; H388-T392 PolarHBondContact ND1-OG1 3.29Å; H388-T392 PolarHBondContact O-N 2.92Å; H388-T392 PolarHBondContact O-OG1 2.75Å
389H95Very high94.4Very high101 Ų10154.1 Ų54.147%0.46826%0.261SS..Hα-helixtrans-58.2-44-179.3-174.490.1000112.9R385 V386 A391 R393R385-H389 WeakPolarHBondContact O-CB 3.49Å; R385-H389 PolarHBondContact O-N 3.44Å; V386-H389 PolarHBondContact O-N 3.3Å; H389-A391 PolarHBondContact O-N 3Å; H389-R393 WeakPolarHBondContact O-CB 3.29Å; H389-R393 PolarHBondContact O-N 2.94Å
390L96.8Very high94.3Very high0 Ų055.5 Ų55.50%027%0.271CS..Hα-helixtrans-66.1-36.6176.4-63.8-176.4000112.5V333 I344 I352 I355 I363 F374 I376 V386 H388 A394V333-L390 HydrophobicContact CB-CB 4.49Å; V333-L390 HydrophobicContact CG1-CB 4.15Å; V333-L390 HydrophobicContact CG2-CB 4.44Å; I344-L390 HydrophobicContact CG2-CD2 3.71Å; I352-L390 HydrophobicContact CD1-CD2 4.32Å; I355-L390 HydrophobicContact CD1-CD2 4.16Å; I363-L390 HydrophobicContact CG2-CD1 4.14Å; F374-L390 HydrophobicContact CB-CD1 3.81Å; F374-L390 HydrophobicContact CD1-CD1 4.38Å; F374-L390 HydrophobicContact CG-CD1 4.04Å; I376-L390 HydrophobicContact CD1-CD1 4.18Å; I376-L390 HydrophobicContact CG1-CD1 4.33Å; V386-L390 HydrophobicContact CG1-CD1 4.18Å; V386-L390 HydrophobicContact CG1-CG 4.3Å; V386-L390 WeakPolarHBondContact O-CG 3.29Å; V386-L390 PolarHBondContact O-N 3.48Å; H388-L390 PolarHBondContact O-N 2.85Å; L390-A394 WeakPolarHBondContact O-CB 3.35Å; L390-A394 PolarHBondContact O-N 3.29Å
391A96Very high94.1Very high35 Ų3558.9 Ų58.929%0.28929%0.285SS..Hα-helixtrans-70.6-46177.100000112.2F285 V333 A387 H388 H389 R393 A394 Q395F285-A391 HydrophobicContact CE1-CB 4.02Å; V333-A391 HydrophobicContact CG1-CB 4.04Å; A387-A391 WeakPolarHBondContact O-CB 3.2Å; A387-A391 PolarHBondContact O-N 2.99Å; A387-A391 VanDerWaalsContact O-N 3.11Å; H388-A391 PolarHBondContact O-N 3.17Å; H388-A391 VanDerWaalsContact O-N 3.12Å; H389-A391 PolarHBondContact O-N 3Å; A391-R393 VanDerWaalsContact C-N 3.31Å; A391-R393 PolarHBondContact O-N 2.89Å; A391-A394 WeakPolarHBondContact O-CB 3.45Å; A391-A394 PolarHBondContact O-N 3.49Å; A391-Q395 PolarHBondContact O-N 3.42Å
392T95.2Very high93.9Very high47 Ų4759.5 Ų59.529%0.28829%0.291SS..Hα-helixtrans-56.9-46.3172.9-53.30000110.2H388 A394 Q395 E396H388-T392 PolarHBondContact CE1-OG1 2.86Å; H388-T392 PolarHBondContact ND1-OG1 3.29Å; H388-T392 PolarHBondContact O-N 2.92Å; H388-T392 PolarHBondContact O-OG1 2.75Å; T392-A394 PolarHBondContact O-N 3.49Å; T392-Q395 CarbonylContact O-C 3.56Å; T392-Q395 WeakPolarHBondContact O-CA 3.31Å; T392-Q395 WeakPolarHBondContact O-CB 3.45Å; T392-Q395 PolarHBondContact O-N 2.92Å; T392-E396 WeakPolarHBondContact O-CG 3.48Å; T392-E396 PolarHBondContact O-N 3.46Å
393R94.2Very high93.5Very high75 Ų7560.8 Ų60.828%0.28330%0.301SS..Hα-helixtrans-64-38.6178.1-173.357.7-169.4-171.76.2112.6E343 I344 H389 A391 Q395 E396 I397E343-R393 IonicContact OE1-CZ 3.8Å; E343-R393 IonicContact OE1-NE 2.68Å; E343-R393 IonicContact OE1-NH2 2.91Å; E343-R393 PolarHBondContact OE1-NH2 3.22Å; I344-R393 HydrophobicContact CG1-CB 4.34Å; I344-R393 HydrophobicContact CG1-CG 3.89Å; H389-R393 WeakPolarHBondContact O-CB 3.29Å; H389-R393 PolarHBondContact O-N 2.94Å; A391-R393 VanDerWaalsContact C-N 3.31Å; A391-R393 PolarHBondContact O-N 2.89Å; R393-Q395 VanDerWaalsContact C-N 3.27Å; R393-Q395 PolarHBondContact O-N 3.44Å; R393-E396 WeakPolarHBondContact CD-OE2 3.32Å; R393-E396 IonicContact CZ-OE2 3.61Å; R393-E396 IonicContact NE-OE2 2.7Å; R393-E396 IonicContact NH1-OE2 2.67Å; R393-E396 PolarHBondContact NH1-OE2 3.48Å; R393-E396 PolarHBondContact O-N 3.37Å; R393-I397 HydrophobicContact CG-CD1 3.89Å; R393-I397 HydrophobicContact CG-CG1 4.42Å; R393-I397 VanDerWaalsContact O-CD1 3.3Å; R393-I397 WeakPolarHBondContact O-CD1 3.38Å; R393-I397 WeakPolarHBondContact O-CG1 3.5Å; R393-I397 PolarHBondContact O-N 2.65Å
394A95.5Very high92.9Very high7 Ų763.5 Ų63.56%0.05832%0.323CS..Hα-helixtrans-60.4-37.2173.300000112.3V335 I344 L390 A391 T392 T398V335-A394 HydrophobicContact CG1-CB 4.32Å; V335-A394 HydrophobicContact CG2-CB 4.15Å; I344-A394 HydrophobicContact CD1-CB 4.08Å; L390-A394 WeakPolarHBondContact O-CB 3.35Å; L390-A394 PolarHBondContact O-N 3.29Å; A391-A394 WeakPolarHBondContact O-CB 3.45Å; A391-A394 PolarHBondContact O-N 3.49Å; T392-A394 PolarHBondContact O-N 3.49Å; A394-T398 PolarHBondContact O-N 3.09Å; A394-T398 VanDerWaalsContact O-N 3.1Å; A394-T398 PolarHBondContact O-OG1 2.94Å
395Q94.8Very high92Very high119 Ų11963.8 Ų63.856%0.55633%0.334SS*.Hα-helixtrans-71.2-44.4176.1-170.5-178.9-9.500112.4A391 T392 R393 I397 T398 Q399A391-Q395 PolarHBondContact O-N 3.42Å; T392-Q395 CarbonylContact O-C 3.56Å; T392-Q395 WeakPolarHBondContact O-CA 3.31Å; T392-Q395 WeakPolarHBondContact O-CB 3.45Å; T392-Q395 PolarHBondContact O-N 2.92Å; R393-Q395 VanDerWaalsContact C-N 3.27Å; R393-Q395 PolarHBondContact O-N 3.44Å; Q395-I397 VanDerWaalsContact C-N 3.3Å; Q395-I397 PolarHBondContact O-N 2.83Å; Q395-T398 WeakPolarHBondContact O-CB 3.3Å; Q395-T398 PolarHBondContact O-N 2.72Å; Q395-T398 VanDerWaalsContact O-N 3.12Å; Q395-Q399 WeakPolarHBondContact O-CG 3.37Å; Q395-Q399 PolarHBondContact O-N 3.45Å
396E93.8Very high90.8Very high73 Ų7361.3 Ų61.334%0.34133%0.33SS..Hα-helixtrans-54.6-46.1173.1-72.3167.5-155.300111.7T392 R393 T398 Q399 S400T392-E396 WeakPolarHBondContact O-CG 3.48Å; T392-E396 PolarHBondContact O-N 3.46Å; R393-E396 WeakPolarHBondContact CD-OE2 3.32Å; R393-E396 IonicContact CZ-OE2 3.61Å; R393-E396 IonicContact NE-OE2 2.7Å; R393-E396 IonicContact NH1-OE2 2.67Å; R393-E396 PolarHBondContact NH1-OE2 3.48Å; R393-E396 PolarHBondContact O-N 3.37Å; E396-T398 VanDerWaalsContact C-N 3.32Å; E396-T398 PolarHBondContact O-N 2.88Å; E396-Q399 PolarHBondContact O-N 2.81Å; E396-S400 WeakPolarHBondContact O-CB 3.41Å; E396-S400 PolarHBondContact O-N 2.93Å; E396-S400 PolarHBondContact O-OG 2.71Å
397I93.4Very high89.4Confident0 Ų070.9 Ų70.90%037%0.366CS..Hα-helixtrans-64-39.8178.3-64.9162.6000110.5H340 E343 I344 R393 Q395 S400 K401H340-I397 HydrophobicContact CB-CG2 4.45Å; H340-I397 WeakPolarHBondContact CD2-CG2 3.24Å; E343-I397 HydrophobicContact CB-CD1 3.94Å; E343-I397 HydrophobicContact CG-CD1 4.45Å; E343-I397 WeakPolarHBondContact OE1-CG1 3.15Å; E343-I397 WeakPolarHBondContact OE2-CG2 3.3Å; I344-I397 HydrophobicContact CD1-CD1 4.4Å; I344-I397 HydrophobicContact CG1-CD1 3.75Å; R393-I397 HydrophobicContact CG-CD1 3.89Å; R393-I397 HydrophobicContact CG-CG1 4.42Å; R393-I397 VanDerWaalsContact O-CD1 3.3Å; R393-I397 WeakPolarHBondContact O-CD1 3.38Å; R393-I397 WeakPolarHBondContact O-CG1 3.5Å; R393-I397 PolarHBondContact O-N 2.65Å; Q395-I397 VanDerWaalsContact C-N 3.3Å; Q395-I397 PolarHBondContact O-N 2.83Å; I397-S400 PolarHBondContact O-N 3.19Å; I397-K401 HydrophobicContact CG2-CD 4.04Å; I397-K401 VanDerWaalsContact CG2-NZ 3.34Å; I397-K401 WeakPolarHBondContact O-CB 3.44Å; I397-K401 VanDerWaalsContact O-CG 3.31Å; I397-K401 WeakPolarHBondContact O-CG 3.33Å; I397-K401 PolarHBondContact O-N 2.86Å
398T92.8Very high87.7Confident48 Ų4881 Ų8129%0.29440%0.404SS..Hα-helixtrans-62.4-48.1176.7-560000110.7H340 A394 Q395 E396 K401 I402H340-T398 PolarHBondContact NE2-OG1 3.13Å; A394-T398 PolarHBondContact O-N 3.09Å; A394-T398 VanDerWaalsContact O-N 3.1Å; A394-T398 PolarHBondContact O-OG1 2.94Å; Q395-T398 WeakPolarHBondContact O-CB 3.3Å; Q395-T398 PolarHBondContact O-N 2.72Å; Q395-T398 VanDerWaalsContact O-N 3.12Å; E396-T398 VanDerWaalsContact C-N 3.32Å; E396-T398 PolarHBondContact O-N 2.88Å; T398-K401 PolarHBondContact O-N 3.36Å; T398-I402 HydrophobicContact CG2-CD1 4.22Å; T398-I402 WeakPolarHBondContact O-CG1 3.48Å; T398-I402 PolarHBondContact O-N 3.34Å; T398-I402 VanDerWaalsContact O-N 3.13Å
399Q91Very high86Confident107 Ų10785.3 Ų85.350%0.542%0.416SS..Hα-helixtrans-60.6-46.9175.2-66.9-179.940.900111.8Q395 E396 K401 I402 V403Q395-Q399 WeakPolarHBondContact O-CG 3.37Å; Q395-Q399 PolarHBondContact O-N 3.45Å; E396-Q399 PolarHBondContact O-N 2.81Å; Q399-K401 VanDerWaalsContact C-N 3.28Å; Q399-K401 PolarHBondContact O-N 2.66Å; Q399-I402 PolarHBondContact O-N 2.95Å; Q399-I402 VanDerWaalsContact O-N 3.1Å; Q399-V403 WeakPolarHBondContact O-CG2 3.37Å; Q399-V403 PolarHBondContact O-N 3.07Å
400S90.2Very high84.1Confident68 Ų6883.2 Ų83.248%0.47642%0.422SS..Hα-helixtrans-57.3-40.7178.7-580000112E396 I397 A404E396-S400 WeakPolarHBondContact O-CB 3.41Å; E396-S400 PolarHBondContact O-N 2.93Å; E396-S400 PolarHBondContact O-OG 2.71Å; I397-S400 PolarHBondContact O-N 3.19Å; S400-A404 VanDerWaalsContact O-CB 3.26Å; S400-A404 WeakPolarHBondContact O-CB 3.44Å; S400-A404 PolarHBondContact O-N 3.4Å
401K87.3Confident82.1Confident77 Ų7788 Ų8834%0.33546%0.455SS..Hα-helixtrans-68.1-38.1176.5-74.3168.8-175.1169.40112.7H340 I397 T398 Q399 G405H340-K401 PolarHBondContact CD2-NZ 2.9Å; H340-K401 PolarHBondContact CE1-NZ 3.13Å; H340-K401 PolarHBondContact ND1-NZ 2.75Å; H340-K401 PolarHBondContact NE2-NZ 3Å; I397-K401 HydrophobicContact CG2-CD 4.04Å; I397-K401 VanDerWaalsContact CG2-NZ 3.34Å; I397-K401 WeakPolarHBondContact O-CB 3.44Å; I397-K401 VanDerWaalsContact O-CG 3.31Å; I397-K401 WeakPolarHBondContact O-CG 3.33Å; I397-K401 PolarHBondContact O-N 2.86Å; T398-K401 PolarHBondContact O-N 3.36Å; Q399-K401 VanDerWaalsContact C-N 3.28Å; Q399-K401 PolarHBondContact O-N 2.66Å; K401-G405 PolarHBondContact O-N 3.12Å
402I87.3Confident80Confident114 Ų11492 Ų9259%0.58548%0.477SS*.Hα-helixtrans-64-49.2175.4-67.2163.5000110T398 Q399 A404 G405 E406T398-I402 HydrophobicContact CG2-CD1 4.22Å; T398-I402 WeakPolarHBondContact O-CG1 3.48Å; T398-I402 PolarHBondContact O-N 3.34Å; T398-I402 VanDerWaalsContact O-N 3.13Å; Q399-I402 PolarHBondContact O-N 2.95Å; Q399-I402 VanDerWaalsContact O-N 3.1Å; I402-A404 PolarHBondContact O-N 3.07Å; I402-G405 PolarHBondContact O-N 2.72Å; I402-G405 VanDerWaalsContact O-N 3.13Å; I402-E406 PolarHBondContact O-N 2.84Å
403V86Confident77.7Confident82 Ų8295 Ų9550%0.49750%0.499SS..Hα-helixtrans-62.9-39.3178.8174.70000112Q399 R407Q399-V403 WeakPolarHBondContact O-CG2 3.37Å; Q399-V403 PolarHBondContact O-N 3.07Å; V403-R407 PolarHBondContact O-N 3.15Å
404A80.3Confident75.5Confident56 Ų5696.4 Ų96.446%0.46352%0.521SS..Hα-helixtrans-69.2-32174.600000113.1S400 I402S400-A404 VanDerWaalsContact O-CB 3.26Å; S400-A404 WeakPolarHBondContact O-CB 3.44Å; S400-A404 PolarHBondContact O-N 3.4Å; I402-A404 PolarHBondContact O-N 3.07Å
405G77.1Confident73.1Confident37 Ų37103.9 Ų103.938%0.38156%0.555SS.*Hα-helixtrans-67.1-44.5174.400000112.5K401 I402 R407 R408 R409K401-G405 PolarHBondContact O-N 3.12Å; I402-G405 PolarHBondContact O-N 2.72Å; I402-G405 VanDerWaalsContact O-N 3.13Å; G405-R407 VanDerWaalsContact C-N 3.34Å; G405-R407 PolarHBondContact O-N 2.71Å; G405-R408 PolarHBondContact O-N 3.11Å; G405-R409 PolarHBondContact O-N 3.09Å; G405-R409 VanDerWaalsContact O-N 3.13Å
406E69.9Low70.6Confident130 Ų130104.8 Ų104.861%0.60757%0.57SS**Hα-helixtrans-62.1-41.3-178.6-163.760.1-159.400112I402 R408 R409 G410I402-E406 PolarHBondContact O-N 2.84Å; E406-R408 PolarHBondContact O-N 3.46Å; E406-R408 VanDerWaalsContact O-N 3.09Å; E406-R409 PolarHBondContact O-N 2.84Å; E406-G410 PolarHBondContact O-N 2.83Å; E406-G410 VanDerWaalsContact O-N 3.15Å
407R67.8Low68.1Low204 Ų204106.2 Ų106.277%0.7759%0.587SS**Hα-helixtrans-59.8-18.5173.3-71-177.8-179.6175.71114.3V403 G405V403-R407 PolarHBondContact O-N 3.15Å; G405-R407 VanDerWaalsContact C-N 3.34Å; G405-R407 PolarHBondContact O-N 2.71Å
408R61.8Low65.6Low212 Ų212109.2 Ų109.280%0.862%0.618SS**Hα-helixtrans-96.2-21.5173.6-69.6-176.5171.9-174.5-2.8113.2G405 E406G405-R408 PolarHBondContact O-N 3.11Å; E406-R408 PolarHBondContact O-N 3.46Å; E406-R408 VanDerWaalsContact O-N 3.09Å
409R59.4Low63.2Low200 Ų200113.6 Ų113.676%0.75565%0.645SS**Hα-helixtrans-83.4-26.2179.8-142173-167.2-132.2-1.8112.9G405 E406 S411G405-R409 PolarHBondContact O-N 3.09Å; G405-R409 VanDerWaalsContact O-N 3.13Å; E406-R409 PolarHBondContact O-N 2.84Å; R409-S411 PolarHBondContact O-N 2.8Å
410G55.6Low60.8Low57 Ų57115.6 Ų115.659%0.58866%0.66SS**THydrogen-bonded Turntrans-71.82176.500000116.5E406E406-G410 PolarHBondContact O-N 2.83Å; E406-G410 VanDerWaalsContact O-N 3.15Å
411S54.9Low58.6Low100 Ų100117.7 Ų117.770%0.69967%0.674SS**THydrogen-bonded Turntrans-113.58-175-55.30000114.9R409R409-S411 PolarHBondContact O-N 2.8Å
412T52.4Low56.1Low120 Ų120117.6 Ų117.674%0.73670%0.695SS**  trans-133.657.8178.561.50000111.7
413S46.2Very low54Low109 Ų109119.4 Ų119.476%0.76271%0.711SS**  trans-134.651.3178.267.50000112.6
414S48.2Very low51.7Low105 Ų105123.4 Ų123.473%0.73473%0.73SS**  trans-117.199.4174.955.80000111.4
415Q46Very low49.8Very low164 Ų164128.1 Ų128.177%0.76674%0.744SS**  trans55.9101.2156.7-61.7176.4-53.700119.1
416P42.2Very low48Very low137 Ų137132 Ų13289%0.8976%0.761SS**  trans-83.1106.3137.932.6-25.3000108.9
417C39.5Very low46.4Very low103 Ų103133.5 Ų133.570%0.69677%0.773SS**  trans-133.2102.5173.354.70000111
418G42.3Very low45.1Very low63 Ų63128 Ų12865%0.64977%0.771SS**  trans-157.1137.817500000110.7
419T42.9Very low44.2Very low141 Ų141122.9 Ų122.987%0.86577%0.768SS**  trans61.6143.1178.756.10000115.6
420D39.7Very low43.4Very low149 Ų149120.1 Ų120.180%0.79777%0.773SS**  cis-151.5-169.72.3-146.1-30.2000111.2
421S43.8Very low42.6Very low111 Ų111120.3 Ų120.378%0.77678%0.776SS**  trans81.664.8164.9-56.80000117.8
422G35.3Very low42Very low76 Ų76123.2 Ų123.278%0.78478%0.783SS**  36.2122.7129.700000122.1
423V42.9Very low41.5Very low152 Ų152122.3 Ų122.392%0.92178%0.782SS**  trans-119.4149.2139.8-76.20000109.5
424N37.7Very low41.2Very low165 Ų165120.4 Ų120.488%0.88278%0.779SS**  trans-84.3168.5-165.5-159.77.7000113.6
425M39.8Very low41.1Very low155 Ų155120.7 Ų120.776%0.76478%0.778SS**  trans-65.8160.7-178.1-134.2-168-15600114.6
426T39.5Very low40.5Very low120 Ų120119.4 Ų119.474%0.73678%0.777SS**  trans77.5151.4153.458.60000122.1
427N35.5Very low40.4Very low160 Ų160120.1 Ų120.186%0.85677%0.773SS**  trans68.384.1162.9-72.34.6000121
428A41Very low40.5Very low88 Ų88120.6 Ų120.673%0.72777%0.772SS**  -177.2128.3111.900000108.6
429S43.6Very low40.5Very low105 Ų105123.7 Ų123.773%0.73478%0.781SS**  63.5121.150.280.20000113.3
430T41.6Very low40.2Very low142 Ų142120.9 Ų120.987%0.87178%0.78SS**  cis-167.5155.77-5.50000112.1
431G39.2Very low40.1Very low62 Ų62117.5 Ų117.564%0.63978%0.78SS**  trans75.7168165.900000115.8
432N42Very low39.9Very low160 Ų160117.4 Ų117.486%0.85678%0.78SS**  cis-166.3149.4-8-105.46.5000106.4
433S43.4Very low40Very low101 Ų101120.4 Ų120.471%0.70678%0.778SS**  cis-156.4160.3-2.7-70.70000109.7
434G39.9Very low39.8Very low69 Ų69120.5 Ų120.571%0.71177%0.773SS**  trans-93.6-140161.200000111.4
435P44.4Very low39.8Very low111 Ų111121.9 Ų121.972%0.72177%0.772SS**  cis-144.4-167-13.941.5-21.7000114.9
436N34.9Very low39.7Very low138 Ų138119 Ų11974%0.73876%0.762SS**  trans69.4156.6166.2-57.2-27.4000116.9
437L40.3Very low39.6Very low152 Ų152120 Ų12080%0.79676%0.762SS**  cis-138130.219.3-65.2154.1000108.8
438T41.3Very low39.7Very low112 Ų112117 Ų11769%0.68775%0.753SS**  52.1143.378.765.40000117.4
439P42.3Very low39.6Very low128 Ų128118.9 Ų118.983%0.83175%0.751SS**  cis-143162.9-33.539.9-23.2000115.8
440G36.8Very low39.3Very low83 Ų83119 Ų11986%0.85675%0.748SS**  trans151.5135.2155.600000118
441G37.8Very low39Very low77 Ų77117.8 Ų117.879%0.79474%0.744SS**  trans99.196.1159.400000118.7
442S38.4Very low39.2Very low109 Ų109120.3 Ų120.376%0.76275%0.749SS**  trans16.4134.3141.9-570000121.3
443N38.5Very low38.9Very low140 Ų140116.9 Ų116.975%0.74974%0.743SS**  cis-157.1146.73.8-83.4-34.8000112.4
444N38.9Very low38.5Very low154 Ų154117.9 Ų117.982%0.82475%0.75SS**  trans59.296.8151.8-63.8-3.4000123.3
445F37.3Very low38.3Very low194 Ų194117.8 Ų117.885%0.85175%0.749SS**  76.791.6126.2-148.9-100.9000122.2
446V37.6Very low37.8Very low93 Ų93120.4 Ų120.456%0.56476%0.756SS**  90.3107.6127.3167.40000121.3
447I37.4Very low37.9Very low141 Ų141121.9 Ų121.972%0.72376%0.763SS**  trans59.9100.1135.2-58180000116.3
448S37.9Very low37.4Very low97 Ų97119.4 Ų119.468%0.67876%0.759SS**  75.2137.575.4-75.80000114
449N37.2Very low37.1Very low128 Ų128122 Ų12268%0.68477%0.767SS**  cis-152129.712.9-112.19000110.1
450T38.6Very low36.5Very low109 Ų109120.1 Ų120.167%0.66976%0.757SS**  62.6142.591.967.40000117.4
451C34.9Very low36.4Very low115 Ų115123.6 Ų123.678%0.77776%0.756SS**  cis179.6-148.5-42.757.50000108.6
452P42.6Very low36.1Very low115 Ų115124.8 Ų124.875%0.74775%0.752SS**  trans-135-160.6-135.942.1-17.9000116.2
453A36Very low36Very low89 Ų89125.5 Ų125.574%0.73675%0.752SS**  trans-145.1134.715200000107.7
454S36Very low35.7Very low122 Ų122125.2 Ų125.285%0.85375%0.75SS**  cis80.812844.7-57.70000112.9
455G35.2Very low35.4Very low67 Ų67125.3 Ų125.369%0.69175%0.751SS**  cis-159.2154.8-2.600000110.8
456L34.1Very low35.2Very low165 Ų165121.6 Ų121.686%0.86475%0.749SS**  56.711494-77.1177.8000117.1
457L36.5Very low35.1Very low169 Ų169122.6 Ų122.689%0.88576%0.758SS**  trans-147.3150.1140.4-83.9-172.1000109.9
458S29.9Very low35Very low101 Ų101123.6 Ų123.671%0.70676%0.763SS**  trans-151.1135.1179.2-57.30000111.1
459L34.5Very low34.7Very low165 Ų165126.1 Ų126.186%0.86476%0.764SS**  trans-160162.8165.7-81111.8000107.6
460S30.3Very low34.6Very low90 Ų90125.3 Ų125.363%0.62977%0.766SS**  cis173.8158.5-35.3-940000106.8
461N34.4Very low34.2Very low156 Ų156123.5 Ų123.583%0.83476%0.758SS**  trans72131.7-178.7-47-27.4000113.5
462S31.7Very low34.2Very low102 Ų102124.2 Ų124.271%0.71376%0.759SS**  cis749832.3-164.10000114.5
463V36.7Very low33.7Very low123 Ų123123.5 Ų123.575%0.74575%0.752SS**  -167.4134.3110.3-91.40000112.1
464N32.6Very low33.6Very low134 Ų134126.2 Ų126.272%0.71776%0.76SS**  trans43.9143.5135.8-52.3-14.7000123.3
465N32.9Very low33.3Very low156 Ų156125.8 Ų125.883%0.83475%0.747SS**  trans98.898.1155.3-53.5-30000118.3
466S32.4Very low33.3Very low117 Ų117126.7 Ų126.782%0.81875%0.748SS**  trans-69.8152.3150.1-460000110.4
467P35.3Very low33.1Very low114 Ų114125.2 Ų125.274%0.7474%0.737SS**  -140.4161.8108.723.7-4.5000111.5
468L35.5Very low33Very low161 Ų161125.6 Ų125.684%0.84373%0.732SS**  cis178.8156.9-14.9-108.4166.5000103.2
469H31.6Very low33Very low150 Ų150127.8 Ų127.869%0.69474%0.735SS**  trans-60163.5166.6-102.5-145.7000111.9S471H469-S471 PolarHBondContact CE1-OG 3.31Å; H469-S471 PolarHBondContact ND1-OG 3.12Å
470P34.3Very low33Very low112 Ų112122.2 Ų122.273%0.72772%0.718SS**  -114122.4107.731.4-33.7000112.6
471S30.6Very low33Very low71 Ų71123.2 Ų123.250%0.49772%0.72SS.*  trans-101.8132.3149.7-70.50000107.7H469H469-S471 PolarHBondContact CE1-OG 3.31Å; H469-S471 PolarHBondContact ND1-OG 3.12Å
472T35.2Very low32.7Very low130 Ų130121.7 Ų121.780%0.79871%0.711SS**  trans-128.895161.242.70000106.1
473T31.8Very low32.9Very low99 Ų99123.2 Ų123.261%0.60771%0.71SS**  62.466.358.481.70000114.4
474V33.4Very low32.5Very low147 Ų147121.8 Ų121.889%0.89171%0.705SS**  trans-119.1101.5144.5-168.50000105.1
475N29.8Very low32.5Very low112 Ų112120.4 Ų120.460%0.59971%0.706SS**  cis77.455.118.1-155.323.1000116.4H477N475-H477 PolarHBondContact OD1-CE1 3.29Å; N475-H477 PolarHBondContact OD1-ND1 3.44Å
476A35.3Very low32.2Very low86 Ų86120.1 Ų120.171%0.71171%0.705SS**  trans-132.4131.6138.300000106.6
477H30.4Very low32Very low135 Ų135120.1 Ų120.163%0.62571%0.705SS**  cis61.4127.241.8-69.491.7000112N475N475-H477 PolarHBondContact OD1-CE1 3.29Å; N475-H477 PolarHBondContact OD1-ND1 3.44Å
478F34.4Very low31.7Very low176 Ų176119.4 Ų119.477%0.77270%0.702SS**  cis-127.1157.11.4-80.6-100.4000108
479N30.9Very low31.5Very low147 Ų147117.1 Ų117.179%0.78670%0.695SS**  cis68.9118.446.1-14913.3000113.2
480G33.9Very low31.3Very low48 Ų48120.8 Ų120.850%0.49570%0.703SS.*  trans143.270.3-179.900000115.5
481V29.9Very low31.1Very low111 Ų111120.4 Ų120.467%0.67370%0.703SS**  69107.469.4-177.90000114
482I29.4Very low31Very low124 Ų124121.2 Ų121.264%0.63671%0.708SS**  trans65.5117.6153.3-63.9167.5000118.6
483L34.3Very low30.6Very low135 Ų135122.4 Ų122.471%0.70771%0.71SS**  -179.6108.3118-105.2129.1000107.4
484S29.3Very low30.4Very low92 Ų92121.6 Ų121.664%0.64371%0.713SS**  74143.661.8-58.60000114.3
485S31.2Very low30Very low105 Ų105120 Ų12073%0.73470%0.704SS**  trans82.4109.1-176.6-46.70000113.8
486N26.6Very low30Very low150 Ų150121.4 Ų121.480%0.80271%0.71SS**  89.1138.256.3-86.3-26.1000112.7
487S29.3Very low29.5Very low117 Ų117125.9 Ų125.982%0.81871%0.714SS**  trans65.8156.6179.391.90000112.2
488S29.4Very low29.4Very low99 Ų99123.7 Ų123.769%0.69271%0.71SS**  cis-168.2159.5-4.6-125.90000107.4
489V31.1Very low29.2Very low114 Ų114122 Ų12269%0.69172%0.716SS**  cis-141.1164.6-4.5-140.50000108
490R27.4Very low29.1Very low227 Ų227118 Ų11886%0.85770%0.7SS**  trans14.7119.5136.4-75.3173174.6-156.4-3.6117
491S28.9Very low28.8Very low104 Ų104125 Ų12573%0.72772%0.717SS**  87.815793.9-154.50000111.5
492S29.4Very low28.7Very low87 Ų87124.5 Ų124.561%0.60872%0.719SS**  cis-144.3171.213.1-420000111.3
493N26Very low28.7Very low155 Ų155123.3 Ų123.383%0.82972%0.722SS**  trans25.3116.2142.4-50.4-10.2000117.8
494A27.3Very low28.5Very low82 Ų82124.4 Ų124.468%0.67873%0.727SS**  -175.2125.511600000113
495T25.2Very low28.5Very low115 Ų115123 Ų12371%0.70672%0.716SS**  trans61.5172.4138.366.50000117.5
496I29.6Very low28.3Very low140 Ų140122.2 Ų122.272%0.71872%0.716SS**SBend36.6133.183.3-30162.2000112.8
497F25Very low28.6Very low181 Ų181117.2 Ų117.279%0.79469%0.692SS**  trans90.8120.6-178.8-69.1-88.7000118.6
498T28.4Very low28.8Very low89 Ų89113.4 Ų113.455%0.54667%0.665SS.*  trans-12.4142.7144.556.30000119.6
499P31Very low28.7Very low139 Ų139110.5 Ų110.590%0.90365%0.651SS**  trans-87.480.8133.834-28.9000109.6
500S28.6Very low28.7Very low64 Ų64111 Ų11145%0.44865%0.649SS.*  trans-89168.8153.4-72.90000107.8
501F27.4Very low29Very low195 Ų195104 Ų10486%0.85564%0.636SS**  trans69150.1-177.9-32.3-69.6000112.3
502S28.2Very low29.3Very low100 Ų100105.8 Ų105.870%0.69964%0.637SS**  cis-137.9129.612.4-48.60000108.9
503S29.2Very low29.4Very low100 Ų100106.1 Ų106.170%0.69964%0.639SS**  73.3125100.383.80000113.5
504L30Very low29.8Very low157 Ų157107 Ų10782%0.82264%0.643SS**  cis-158.7174.111.2-85.8125.7000108.7
505P28.1Very low30Very low64 Ų64105.8 Ų105.842%0.41664%0.639SS.*  cis-119.8133.8-19.131.8-16.4000111.5I1258P505-I1258 WeakPolarHBondContact O-CG2 3.28Å
506A29Very low30.4Very low88 Ų88106 Ų10673%0.72765%0.645SS**  trans-71.2134.8134.400000106.2
507S32.9Very low30.7Very low44 Ų44107.3 Ų107.331%0.30865%0.648SS.*  trans-88.4-160170.4-58.30000106.9G1259 E1260S507-G1259 VanDerWaalsContact CB-C 3.45Å; S507-G1259 VanDerWaalsContact CB-CA 3.44Å; S507-G1259 VanDerWaalsContact OG-CA 3.23Å; S507-G1259 WeakPolarHBondContact OG-CA 3.19Å; S507-E1260 VanDerWaalsContact C-CD 3.47Å; S507-E1260 VanDerWaalsContact C-OE2 3.26Å; S507-E1260 WeakPolarHBondContact CB-O 3.46Å; S507-E1260 PolarHBondContact N-OE2 3.35Å; S507-E1260 VanDerWaalsContact N-OE2 3.1Å
508P31.7Very low31.1Very low37 Ų37105 Ų10524%0.2464%0.643CS.*  trans-115.8117.8-170.338.1-32000116.9E1260 G1261 R1262P508-E1260 VanDerWaalsContact C-OE1 3.32Å; P508-E1260 WeakPolarHBondContact CD-O 3.4Å; P508-G1261 WeakPolarHBondContact O-CA 3.23Å; P508-R1262 HydrophobicContact CB-CG 4Å; P508-R1262 HydrophobicContact CG-CB 3.66Å; P508-R1262 HydrophobicContact CG-CG 3.59Å
509G28.8Very low31.3Very low38 Ų38108.8 Ų108.839%0.39266%0.655SS.*  trans-62.3178.6158.300000114.7E1260 R1262G509-E1260 PolarHBondContact N-OE1 3.46Å; G509-R1262 VanDerWaalsContact O-CZ 3.32Å; G509-R1262 PolarHBondContact O-NE 3.45Å; G509-R1262 PolarHBondContact O-NH2 3.3Å
510N30.4Very low31.2Very low125 Ų125107.8 Ų107.867%0.66865%0.646SS**  trans-131.6109.6170.6-10317.6000106.4R1262N510-R1262 PolarHBondContact OD1-NE 3.5Å
511S34.1Very low31.4Very low81 Ų81112.2 Ų112.257%0.56667%0.665SS**  74.1112.394.3730000111.4
512N34.5Very low31.5Very low140 Ų140109.2 Ų109.275%0.74966%0.663SS**  cis-151.7138.846.9-71.3-46.6000109.7
513S31.9Very low31.7Very low95 Ų95112.2 Ų112.266%0.66467%0.669SS**  48.1131.880.479.10000114.4
514L33.4Very low31.8Very low172 Ų172113 Ų11390%0.90167%0.67SS**  cis-1351739-67.387.7000108.8
515G32.4Very low31.8Very low58 Ų58110.2 Ų110.260%0.59866%0.664SS**  cis140.5136.7-300000111.8
516S33.8Very low32Very low118 Ų118114 Ų11483%0.82569%0.685SS**  trans66.4158.7-173.487.60000114.6
517Q35Very low32Very low168 Ų168113.3 Ų113.379%0.78569%0.687SS**  cis-148.4-177.7-7.3-141.8178.4-8.400110.1
518L33.5Very low32.2Very low132 Ų132119 Ų11969%0.69171%0.711SS**  trans-21.4152.5160.7-60.6160.1000115.7
519Q33.4Very low32.3Very low170 Ų170128 Ų12879%0.79475%0.747SS**  cis-161.9166.932.6-147.4152.7-5.100112.6
520T28.1Very low32.5Very low117 Ų117130.5 Ų130.572%0.71876%0.758SS**  trans-72137.2174.149.20000112.6
521N32.5Very low32.6Very low158 Ų158129 Ų12985%0.84576%0.757SS**  -174.4154.6122.2-93.5-11.9000113.8
522T30.2Very low32.5Very low132 Ų132131.7 Ų131.781%0.8177%0.77SS**  trans-61.1131.2178.3-52.10000113.3
523I33Very low32.4Very low163 Ų163130 Ų13084%0.83677%0.77SS**  trans-149.5153.5150-99.6146.2000108.4
524T31.1Very low32.6Very low116 Ų116129.8 Ų129.871%0.71277%0.765SS**  trans-81.7165.8-173.146.90000114.5
525S30Very low32.5Very low99 Ų99128.3 Ų128.369%0.69277%0.765SS**  trans72.5142.1155.454.20000120.4
526T33Very low33.4Very low142 Ų142129 Ų12987%0.87177%0.772SS**  trans58.5109.5159.249.50000120.3
527G28.9Very low34.5Very low74 Ų74127.4 Ų127.476%0.76376%0.761SS**  trans121.2176.3137.800000118.1
528M36.6Very low36.6Very low164 Ų164126.6 Ų126.681%0.80875%0.751SS**  trans70.162.1162.6-50.8-1647600119.1S530M528-S530 VanDerWaalsContact C-N 3.35Å
529F32.8Very low38.9Very low227 Ų227124.2 Ų124.2100%0.99674%0.742SS**  trans-99.264.8136.4-85.1-64.8000110.6
530S33.3Very low41.6Very low89 Ų89119.7 Ų119.762%0.62272%0.723SS**  trans-92.8148.4162.6-58.10000108.6M528M528-S530 VanDerWaalsContact C-N 3.35Å
531S33.6Very low44.4Very low94 Ų94115.3 Ų115.366%0.65770%0.695SS**  cis-172125.7-12.645.20000109.8
532T30.7Very low47.2Very low137 Ų137108.3 Ų108.384%0.8466%0.659SS**  trans-12863.1157.347.50000109.2T534T532-T534 PolarHBondContact O-N 2.97Å
533S32.7Very low50.2Low105 Ų105108.2 Ų108.273%0.73464%0.644SS**  trans-71.374.8-179.253.80000111.9P535S533-P535 WeakPolarHBondContact O-CD 3.46Å
534T37.2Very low53.1Low91 Ų91101 Ų10156%0.55861%0.61SS**  trans-65.9123.2158.954.30000108.7T532 G536 S537T532-T534 PolarHBondContact O-N 2.97Å; T534-G536 PolarHBondContact O-N 3.29Å; T534-S537 PolarHBondContact O-N 2.93Å; T534-S537 PolarHBondContact OG1-OG 3.14Å
535P31.9Very low56Low140 Ų140100.7 Ų100.791%0.90960%0.595SS**THydrogen-bonded Turntrans-62.9107.7179.6-22.234.2000110.2S533S533-P535 WeakPolarHBondContact O-CD 3.46Å
536G49.7Very low59Low73 Ų7396.3 Ų96.375%0.75356%0.564SS**THydrogen-bonded Turntrans127.3-8-176.100000115.8T534 R538T534-G536 PolarHBondContact O-N 3.29Å; G536-R538 PolarHBondContact O-N 3.03Å
537S57.1Low61.8Low85 Ų8590 Ų9059%0.59453%0.526SS*.  trans-67.187.6175.7-77.80000113.1T534T534-S537 PolarHBondContact O-N 2.93Å; T534-S537 PolarHBondContact OG1-OG 3.14Å
538R78.7Confident64.8Low150 Ų15086.5 Ų86.557%0.56649%0.49SS*.PPolyproline II helixtrans-68.6128.1161.9-64.1-163.8-80.4-117.34.8109.1G536 L540 E574 Y597G536-R538 PolarHBondContact O-N 3.03Å; R538-L540 PolarHBondContact O-N 3.09Å; R538-E574 IonicContact CZ-OE2 3.68Å; R538-E574 IonicContact NE-OE2 3.97Å; R538-E574 IonicContact NH2-OE2 2.65Å; R538-E574 PolarHBondContact NH2-OE2 3.28Å; R538-Y597 HydrophobicContact CB-CD1 3.55Å; R538-Y597 HydrophobicContact CB-CE1 4.22Å; R538-Y597 HydrophobicContact CB-CG 3.88Å; R538-Y597 WeakPolarHBondContact O-CD1 3.46Å
539V83.6Confident67.2Low82 Ų8279.6 Ų79.650%0.49746%0.457SS..PPolyproline II helixtrans-69.4122.9176.9-179.40000109.1Y597 Q598V539-Y597 CarbonylContact O-C 3.59Å; V539-Y597 VanDerWaalsContact O-CA 3.3Å; V539-Y597 WeakPolarHBondContact O-CA 3.19Å; V539-Q598 HydrophobicContact CB-CB 3.93Å; V539-Q598 PolarHBondContact O-N 2.78Å
540L88.1Confident69.7Low75 Ų7571.2 Ų71.239%0.39342%0.421SS..EExtended strand (participates in β ladder)trans-78.5121.1176.9-178.4139.3000109.6R538 R543 Y597R538-L540 PolarHBondContact O-N 3.09Å; L540-R543 HydrophobicContact CD1-CB 4.31Å; L540-R543 HydrophobicContact CD2-CB 4.07Å; L540-Y597 HydrophobicContact CB-CD1 4Å; L540-Y597 HydrophobicContact CB-CE1 3.87Å; L540-Y597 HydrophobicContact CD1-CE1 4.09Å; L540-Y597 HydrophobicContact CG-CE1 4.38Å
541L88.5Confident72.1Confident26 Ų2671.3 Ų71.314%0.13641%0.412CS..EExtended strand (participates in β ladder)trans-97.8-37.4-178.3-65.7177.8000112.6A596 Q598 L602 A608L541-A596 PolarHBondContact N-O 3.07Å; L541-Q598 HydrophobicContact CD1-CB 3.83Å; L541-Q598 HydrophobicContact CD1-CG 4.12Å; L541-Q598 HydrophobicContact CD2-CB 3.99Å; L541-Q598 HydrophobicContact CD2-CG 4.23Å; L541-Q598 HydrophobicContact CG-CB 3.83Å; L541-Q598 HydrophobicContact CG-CG 4.42Å; L541-L602 HydrophobicContact CD1-CB 4Å; L541-A608 HydrophobicContact CB-CB 3.41Å; L541-A608 VanDerWaalsContact CB-CB 3.41Å; L541-A608 HydrophobicContact CD1-CB 4.01Å; L541-A608 HydrophobicContact CG-CB 4.39Å
542A91.1Very high74.7Confident11 Ų1167 Ų679%0.09138%0.382CS..EExtended strand (participates in β ladder)trans-149.7153.5178.300000111A596 A608 E609 V612A542-A596 HydrophobicContact CB-CB 4.41Å; A542-A596 PolarHBondContact N-O 3.23Å; A542-A596 PolarHBondContact O-N 2.95Å; A542-A608 HydrophobicContact CB-CB 3.72Å; A542-E609 HydrophobicContact CB-CB 4.46Å; A542-E609 HydrophobicContact CB-CG 3.86Å; A542-V612 HydrophobicContact CB-CG2 3.87Å
543R92.8Very high77.5Confident129 Ų12961.1 Ų61.149%0.48735%0.345SS..EExtended strand (participates in β ladder)trans-150.7142.9-177.9-179.6175.5173.193.2-12.7109.8L540 E593 I594 S595L540-R543 HydrophobicContact CD1-CB 4.31Å; L540-R543 HydrophobicContact CD2-CB 4.07Å; R543-E593 IonicContact CZ-OE1 3.81Å; R543-E593 IonicContact CZ-OE2 3.09Å; R543-E593 VanDerWaalsContact NH1-CD 3.26Å; R543-E593 IonicContact NH1-OE1 2.81Å; R543-E593 PolarHBondContact NH1-OE1 2.62Å; R543-E593 IonicContact NH1-OE2 2.75Å; R543-E593 IonicContact NH2-OE1 2.62Å; R543-E593 PolarHBondContact NH2-OE1 3.47Å; R543-E593 IonicContact NH2-OE2 3.56Å; R543-E593 PolarHBondContact NH2-OE2 3.04Å; R543-I594 CarbonylContact C-O 3.17Å; R543-I594 VanDerWaalsContact CA-O 3.29Å; R543-I594 WeakPolarHBondContact CA-O 3.19Å; R543-S595 PolarHBondContact NH1-OG 3.45Å
544G93.4Very high80.1Confident12 Ų1258.6 Ų58.612%0.12434%0.336CS..EExtended strand (participates in β ladder)trans-157155.7179.200000112.1I594G544-I594 PolarHBondContact N-O 3.5Å; G544-I594 WeakPolarHBondContact O-CB 3.14Å; G544-I594 PolarHBondContact O-N 3.5Å
545R92.9Very high82.5Confident109 Ų10958.4 Ų58.441%0.41133%0.327SS..EExtended strand (participates in β ladder)trans-117152.6176.7-65.7-176.5173.1-178.2-1.7112.1E591 F592 E593 K616R545-E591 VanDerWaalsContact CD-OE2 3.27Å; R545-E591 WeakPolarHBondContact CD-OE2 3.44Å; R545-E591 IonicContact CZ-OE2 2.84Å; R545-E591 VanDerWaalsContact CZ-OE2 3.32Å; R545-E591 IonicContact NE-OE2 2.91Å; R545-E591 IonicContact NH1-OE1 2.72Å; R545-E591 IonicContact NH1-OE2 3.07Å; R545-E591 PolarHBondContact NH1-OE2 3.29Å; R545-F592 WeakPolarHBondContact CA-O 3.38Å; R545-E593 IonicContact CZ-OE2 3.87Å; R545-E593 IonicContact NE-OE2 3.32Å; R545-E593 PolarHBondContact NE-OE2 3.23Å; R545-E593 IonicContact NH2-OE2 3.4Å; R545-E593 PolarHBondContact NH2-OE2 2.91Å; R545-K616 WeakPolarHBondContact O-CE 3.28Å; R545-K616 PolarHBondContact O-NZ 3.34Å
546I92.9Very high85.3Confident7 Ų751.7 Ų51.74%0.03628%0.284CS..EExtended strand (participates in β ladder)trans-138.7128.4171.1-177.6167.5000108.7F592 I594 K616 I619I546-F592 HydrophobicContact CG2-CB 3.96Å; I546-F592 PolarHBondContact N-O 2.77Å; I546-F592 VanDerWaalsContact N-O 3.14Å; I546-F592 PolarHBondContact O-N 3.33Å; I546-I594 HydrophobicContact CG2-CD1 4.04Å; I546-K616 HydrophobicContact CB-CG 4.37Å; I546-K616 HydrophobicContact CD1-CB 4.44Å; I546-I619 HydrophobicContact CD1-CB 4.33Å; I546-I619 HydrophobicContact CD1-CG2 3.99Å; I546-I619 HydrophobicContact CG2-CB 4.48Å; I546-I619 HydrophobicContact CG2-CD1 4.11Å; I546-I619 HydrophobicContact CG2-CG2 3.98Å
547S91.3Very high87.3Confident10 Ų1050.3 Ų50.37%0.0726%0.258CS..EExtended strand (participates in β ladder)trans-85.2140.7175.8-54.40000110.3W677 W679S547-W677 PolarHBondContact N-O 3.22Å; S547-W679 VanDerWaalsContact O-CD1 3.26Å; S547-W679 PolarHBondContact O-NE1 3.46Å
548V91Very high88.7Confident0 Ų047 Ų470%024%0.238CC..EExtended strand (participates in β ladder)trans-137.7136-175170.40000109.1Q550 M552 V553 I556 T589 S590 F592 I619 V623V548-Q550 PolarHBondContact O-N 3.17Å; V548-M552 HydrophobicContact CG1-CB 4.01Å; V548-V553 HydrophobicContact CG1-CG2 4.2Å; V548-I556 HydrophobicContact CB-CD1 4.4Å; V548-I556 HydrophobicContact CG1-CD1 3.53Å; V548-I556 HydrophobicContact CG2-CD1 3.93Å; V548-T589 CarbonylContact O-C 3.56Å; V548-T589 WeakPolarHBondContact O-CA 3.48Å; V548-S590 PolarHBondContact N-O 3.31Å; V548-S590 PolarHBondContact O-N 3.03Å; V548-F592 HydrophobicContact CB-CD2 4Å; V548-F592 HydrophobicContact CB-CE2 3.87Å; V548-F592 HydrophobicContact CG1-CE2 4.06Å; V548-F592 HydrophobicContact CG2-CD2 3.64Å; V548-F592 HydrophobicContact CG2-CE2 3.83Å; V548-I619 HydrophobicContact CG2-CG2 3.93Å; V548-V623 HydrophobicContact CG1-CG2 4.09Å; V548-V623 HydrophobicContact CG2-CG2 4.01Å
549P87.4Confident89.1Confident20 Ų2045.5 Ų45.513%0.1325%0.246CC..EExtended strand (participates in β ladder)trans-56.1135.3173-25.235.4000112.5E551 M552 V553P549-E551 VanDerWaalsContact C-N 3.25Å; P549-E551 VanDerWaalsContact C-OE2 3.29Å; P549-E551 VanDerWaalsContact CB-CD 3.49Å; P549-E551 VanDerWaalsContact CB-OE1 3.24Å; P549-E551 WeakPolarHBondContact CB-OE1 3.43Å; P549-E551 WeakPolarHBondContact CB-OE2 3.49Å; P549-E551 PolarHBondContact O-N 2.93Å; P549-M552 HydrophobicContact CB-CG 4.28Å; P549-M552 WeakPolarHBondContact O-CA 3.47Å; P549-M552 WeakPolarHBondContact O-CB 3.02Å; P549-M552 PolarHBondContact O-N 3.47Å; P549-V553 PolarHBondContact O-N 3.49Å
550Q85.5Confident89.1Confident51 Ų5151.7 Ų51.724%0.23827%0.269CS..Hα-helixtrans-58.7-34.1-168.4-176.966.60.100113.1V548 M552 V553 A588 S590V548-Q550 PolarHBondContact O-N 3.17Å; Q550-M552 PolarHBondContact O-N 3.21Å; Q550-V553 WeakPolarHBondContact O-CB 3.31Å; Q550-V553 PolarHBondContact O-N 2.93Å; Q550-A588 HydrophobicContact CB-CB 3.87Å; Q550-A588 WeakPolarHBondContact CB-O 3.27Å; Q550-A588 PolarHBondContact N-O 3.11Å; Q550-S590 PolarHBondContact OE1-OG 3.15Å
551E83.8Confident89.1Confident91 Ų9148.6 Ų48.643%0.42526%0.256SS..Hα-helixtrans-68.1-19.5175.679.6-69.6176.100113.5P549P549-E551 VanDerWaalsContact C-N 3.25Å; P549-E551 VanDerWaalsContact C-OE2 3.29Å; P549-E551 VanDerWaalsContact CB-CD 3.49Å; P549-E551 VanDerWaalsContact CB-OE1 3.24Å; P549-E551 WeakPolarHBondContact CB-OE1 3.43Å; P549-E551 WeakPolarHBondContact CB-OE2 3.49Å; P549-E551 PolarHBondContact O-N 2.93Å
552M87.3Confident89.2Confident4 Ų449.8 Ų49.82%0.0227%0.266CS..Hα-helixtrans-94.2-16.7177.1-55.5-153.6-178.800113.4V548 P549 Q550 G554 K555 I556 V623 Q626 L627V548-M552 HydrophobicContact CG1-CB 4.01Å; P549-M552 HydrophobicContact CB-CG 4.28Å; P549-M552 WeakPolarHBondContact O-CA 3.47Å; P549-M552 WeakPolarHBondContact O-CB 3.02Å; P549-M552 PolarHBondContact O-N 3.47Å; Q550-M552 PolarHBondContact O-N 3.21Å; M552-G554 VanDerWaalsContact C-N 3.29Å; M552-G554 PolarHBondContact O-N 3.36Å; M552-K555 WeakPolarHBondContact O-CA 3.26Å; M552-K555 WeakPolarHBondContact O-CB 3.36Å; M552-K555 PolarHBondContact O-N 3.07Å; M552-I556 WeakPolarHBondContact O-CG1 3.41Å; M552-I556 PolarHBondContact O-N 3.04Å; M552-V623 HydrophobicContact SD-CG1 4.15Å; M552-Q626 HydrophobicContact CE-CB 4.42Å; M552-Q626 HydrophobicContact SD-CB 3.8Å; M552-L627 HydrophobicContact CE-CD2 3.44Å; M552-L627 VanDerWaalsContact CE-CD2 3.44Å; M552-L627 HydrophobicContact CE-CG 3.64Å; M552-L627 HydrophobicContact SD-CD2 4.46Å; M552-L627 HydrophobicContact SD-CG 4.15Å
553V89.7Confident89.2Confident13 Ų1352.3 Ų52.38%0.07928%0.278CS..Hα-helixtrans-52.9-46.4178.5174.60000111.4V548 P549 Q550 K555 I556 I557 P578 S590 F592V548-V553 HydrophobicContact CG1-CG2 4.2Å; P549-V553 PolarHBondContact O-N 3.49Å; Q550-V553 WeakPolarHBondContact O-CB 3.31Å; Q550-V553 PolarHBondContact O-N 2.93Å; V553-K555 VanDerWaalsContact C-N 3.33Å; V553-K555 PolarHBondContact O-N 3.47Å; V553-I556 PolarHBondContact O-N 2.9Å; V553-I557 HydrophobicContact CG1-CD1 3.73Å; V553-I557 HydrophobicContact CG1-CG1 4.41Å; V553-I557 WeakPolarHBondContact O-CG1 3.09Å; V553-I557 PolarHBondContact O-N 3.06Å; V553-P578 HydrophobicContact CG1-CG 4.28Å; V553-S590 VanDerWaalsContact CG2-CB 3.4Å; V553-F592 HydrophobicContact CB-CE2 4.47Å; V553-F592 HydrophobicContact CB-CZ 4.42Å; V553-F592 HydrophobicContact CG1-CE2 4.29Å; V553-F592 HydrophobicContact CG1-CZ 3.92Å; V553-F592 HydrophobicContact CG2-CE2 4.09Å
554G87.8Confident89.2Confident52 Ų5246.7 Ų46.754%0.53626%0.257SS..Hα-helixtrans-62.4-37.3176.500000113.3M552 I556 G558M552-G554 VanDerWaalsContact C-N 3.29Å; M552-G554 PolarHBondContact O-N 3.36Å; G554-I556 VanDerWaalsContact C-N 3.32Å; G554-I556 PolarHBondContact O-N 3.43Å; G554-G558 PolarHBondContact O-N 3.08Å
555K88.3Confident89.2Confident86 Ų8649.9 Ų49.937%0.37427%0.274SS..Hα-helixtrans-70.4-26176.9-54.4-166-177-178.30112.8M552 V553 Q626M552-K555 WeakPolarHBondContact O-CA 3.26Å; M552-K555 WeakPolarHBondContact O-CB 3.36Å; M552-K555 PolarHBondContact O-N 3.07Å; V553-K555 VanDerWaalsContact C-N 3.33Å; V553-K555 PolarHBondContact O-N 3.47Å; K555-Q626 HydrophobicContact CB-CG 4.29Å; K555-Q626 HydrophobicContact CD-CB 4.09Å; K555-Q626 HydrophobicContact CD-CG 3.78Å; K555-Q626 VanDerWaalsContact CD-OE1 3.23Å; K555-Q626 VanDerWaalsContact NZ-OE1 3.12Å
556I91.1Very high89.2Confident0 Ų048 Ų480%028%0.275CS..Hα-helixtrans-88-37178.6-64.3-179.3000112.5V548 M552 V553 G554 G558 I563 I564 F592 I619 L622 V623V548-I556 HydrophobicContact CB-CD1 4.4Å; V548-I556 HydrophobicContact CG1-CD1 3.53Å; V548-I556 HydrophobicContact CG2-CD1 3.93Å; M552-I556 WeakPolarHBondContact O-CG1 3.41Å; M552-I556 PolarHBondContact O-N 3.04Å; V553-I556 PolarHBondContact O-N 2.9Å; G554-I556 VanDerWaalsContact C-N 3.32Å; G554-I556 PolarHBondContact O-N 3.43Å; I556-G558 VanDerWaalsContact C-N 3.33Å; I556-I563 WeakPolarHBondContact O-CB 3.48Å; I556-I563 WeakPolarHBondContact O-CG2 3.23Å; I556-I564 PolarHBondContact O-N 2.92Å; I556-F592 HydrophobicContact CB-CZ 4.11Å; I556-F592 HydrophobicContact CG2-CE1 4.17Å; I556-F592 HydrophobicContact CG2-CE2 4.4Å; I556-F592 HydrophobicContact CG2-CZ 3.89Å; I556-I619 HydrophobicContact CD1-CG2 3.93Å; I556-I619 HydrophobicContact CG2-CG1 4.31Å; I556-I619 HydrophobicContact CG2-CG2 4.26Å; I556-L622 HydrophobicContact CB-CD2 4.26Å; I556-L622 HydrophobicContact CG1-CD2 3.96Å; I556-L622 HydrophobicContact CG1-CG 4.07Å; I556-L622 HydrophobicContact CG2-CD2 4.41Å; I556-V623 HydrophobicContact CD1-CG2 3.49Å; I556-V623 VanDerWaalsContact CD1-CG2 3.49Å
557I90.5Very high89.2Confident43 Ų4348.2 Ų48.222%0.22128%0.276CS..Hα-helixtrans-63.2-45.5169.6-67.1172.5000109V553 G561 S562 I563 I564 F592V553-I557 HydrophobicContact CG1-CD1 3.73Å; V553-I557 HydrophobicContact CG1-CG1 4.41Å; V553-I557 WeakPolarHBondContact O-CG1 3.09Å; V553-I557 PolarHBondContact O-N 3.06Å; I557-G561 CarbonylContact O-C 3.57Å; I557-G561 WeakPolarHBondContact O-CA 3.39Å; I557-S562 PolarHBondContact O-N 3.35Å; I557-I563 PolarHBondContact O-N 2.96Å; I557-I564 HydrophobicContact CG2-CG2 4.28Å; I557-I564 PolarHBondContact O-N 3.32Å; I557-F592 HydrophobicContact CG1-CE1 4.08Å; I557-F592 HydrophobicContact CG1-CZ 4.2Å
558G87.8Confident89.3Confident16 Ų1650.3 Ų50.317%0.16528%0.284CS..  trans76.4175.2-175.400000112.4G554 I556 Q560 G561G554-G558 PolarHBondContact O-N 3.08Å; I556-G558 VanDerWaalsContact C-N 3.33Å; G558-Q560 PolarHBondContact O-N 2.71Å; G558-Q560 VanDerWaalsContact O-N 3.16Å; G558-G561 PolarHBondContact O-N 3.06Å; G558-G561 VanDerWaalsContact O-N 3.09Å
559T86.4Confident89.3Confident119 Ų11958.6 Ų58.673%0.7332%0.32SS*.G310 helixtrans-56.4121.6176.844.10000110.2G561 S562T559-G561 PolarHBondContact O-N 3.21Å; T559-S562 WeakPolarHBondContact O-CB 3.46Å; T559-S562 PolarHBondContact O-N 3.07Å; T559-S562 PolarHBondContact O-OG 3.02Å; T559-S562 PolarHBondContact OG1-OG 3.48Å
560Q83.4Confident89.5Confident211 Ų21161.3 Ų61.399%0.98633%0.334SS*.G310 helixtrans51.525.6-176.6-60.2-179-12.700115.3G558 S562G558-Q560 PolarHBondContact O-N 2.71Å; G558-Q560 VanDerWaalsContact O-N 3.16Å; Q560-S562 VanDerWaalsContact C-N 3.33Å
561G88Confident89.7Confident11 Ų1158.9 Ų58.911%0.11332%0.323CS..G310 helixtrans78.912.3-177.200000114.9I557 G558 T559 I563 I564 T565I557-G561 CarbonylContact O-C 3.57Å; I557-G561 WeakPolarHBondContact O-CA 3.39Å; G558-G561 PolarHBondContact O-N 3.06Å; G558-G561 VanDerWaalsContact O-N 3.09Å; T559-G561 PolarHBondContact O-N 3.21Å; G561-I563 VanDerWaalsContact C-N 3.32Å; G561-I563 PolarHBondContact O-N 3.13Å; G561-I564 WeakPolarHBondContact O-CG2 3.44Å; G561-I564 PolarHBondContact O-N 3.4Å; G561-T565 VanDerWaalsContact O-CB 3.23Å; G561-T565 WeakPolarHBondContact O-CB 3.43Å; G561-T565 PolarHBondContact O-N 3.44Å; G561-T565 PolarHBondContact O-OG1 3.14Å
562S90.3Very high90Very high51 Ų5155.4 Ų55.436%0.35731%0.311SS..Hα-helixtrans-54.6-42.3-178.351.90000113.9I557 T559 Q560 T566I557-S562 PolarHBondContact O-N 3.35Å; T559-S562 WeakPolarHBondContact O-CB 3.46Å; T559-S562 PolarHBondContact O-N 3.07Å; T559-S562 PolarHBondContact O-OG 3.02Å; T559-S562 PolarHBondContact OG1-OG 3.48Å; Q560-S562 VanDerWaalsContact C-N 3.33Å; S562-T566 WeakPolarHBondContact O-CB 3.35Å; S562-T566 PolarHBondContact O-N 3.32Å; S562-T566 VanDerWaalsContact O-N 3.1Å; S562-T566 PolarHBondContact O-OG1 3.17Å
563I92.3Very high90.3Very high64 Ų6455.6 Ų55.633%0.32831%0.313SS..Hα-helixtrans-74.7-48.9-177.7-62.2174.2000110.2I556 I557 G561 T565 T566 I567 L622I556-I563 WeakPolarHBondContact O-CB 3.48Å; I556-I563 WeakPolarHBondContact O-CG2 3.23Å; I557-I563 PolarHBondContact O-N 2.96Å; G561-I563 VanDerWaalsContact C-N 3.32Å; G561-I563 PolarHBondContact O-N 3.13Å; I563-T565 VanDerWaalsContact C-N 3.31Å; I563-T565 PolarHBondContact O-N 2.84Å; I563-T566 WeakPolarHBondContact O-CA 3.46Å; I563-T566 WeakPolarHBondContact O-CB 3.45Å; I563-T566 PolarHBondContact O-N 3.07Å; I563-I567 HydrophobicContact CG2-CD1 4.15Å; I563-I567 WeakPolarHBondContact O-CG1 3.5Å; I563-I567 PolarHBondContact O-N 3.19Å; I563-L622 HydrophobicContact CG2-CD2 3.6Å
564I92.6Very high90.4Very high11 Ų1158.5 Ų58.56%0.05633%0.325CS..Hα-helixtrans-64.2-36.5179.8-165.864.4000112.1I556 I557 G561 T566 I567 Q568 I575 F592 I619I556-I564 PolarHBondContact O-N 2.92Å; I557-I564 HydrophobicContact CG2-CG2 4.28Å; I557-I564 PolarHBondContact O-N 3.32Å; G561-I564 WeakPolarHBondContact O-CG2 3.44Å; G561-I564 PolarHBondContact O-N 3.4Å; I564-T566 VanDerWaalsContact C-N 3.32Å; I564-T566 PolarHBondContact O-N 2.95Å; I564-I567 PolarHBondContact O-N 2.9Å; I564-Q568 VanDerWaalsContact O-CG 3.31Å; I564-Q568 WeakPolarHBondContact O-CG 3.31Å; I564-Q568 PolarHBondContact O-N 3.19Å; I564-I575 HydrophobicContact CD1-CB 3.99Å; I564-I575 HydrophobicContact CD1-CD1 3.92Å; I564-I575 HydrophobicContact CD1-CG2 3.78Å; I564-I575 HydrophobicContact CG1-CB 4.23Å; I564-I575 HydrophobicContact CG1-CG2 4.34Å; I564-F592 HydrophobicContact CD1-CD1 4.33Å; I564-F592 HydrophobicContact CD1-CE1 4.32Å; I564-I619 HydrophobicContact CD1-CD1 4.33Å
565T92.9Very high90.7Very high78 Ų7856.3 Ų56.348%0.47930%0.301SS..Hα-helixtrans-65.4-34.8173.2-54.10000111.9G561 I563 K569G561-T565 VanDerWaalsContact O-CB 3.23Å; G561-T565 WeakPolarHBondContact O-CB 3.43Å; G561-T565 PolarHBondContact O-N 3.44Å; G561-T565 PolarHBondContact O-OG1 3.14Å; I563-T565 VanDerWaalsContact C-N 3.31Å; I563-T565 PolarHBondContact O-N 2.84Å; T565-K569 WeakPolarHBondContact O-CB 3.4Å; T565-K569 PolarHBondContact O-N 3.04Å
566T92.7Very high90.8Very high69 Ų6959 Ų5942%0.42331%0.313SS..Hα-helixtrans-66.8-45.4173.3-58.70000110.9S562 I563 I564 Q568 K569 D570S562-T566 WeakPolarHBondContact O-CB 3.35Å; S562-T566 PolarHBondContact O-N 3.32Å; S562-T566 VanDerWaalsContact O-N 3.1Å; S562-T566 PolarHBondContact O-OG1 3.17Å; I563-T566 WeakPolarHBondContact O-CA 3.46Å; I563-T566 WeakPolarHBondContact O-CB 3.45Å; I563-T566 PolarHBondContact O-N 3.07Å; I564-T566 VanDerWaalsContact C-N 3.32Å; I564-T566 PolarHBondContact O-N 2.95Å; T566-Q568 PolarHBondContact O-N 3.42Å; T566-K569 PolarHBondContact O-N 2.95Å; T566-D570 WeakPolarHBondContact O-CB 3.28Å; T566-D570 PolarHBondContact O-N 3.13Å
567I93.6Very high90.6Very high12 Ų1261.5 Ų61.56%0.06233%0.331CS..Hα-helixtrans-61.8-42.6176.6-61.3169.7000110.9I563 I564 T571 I575 A615 L618 I619I563-I567 HydrophobicContact CG2-CD1 4.15Å; I563-I567 WeakPolarHBondContact O-CG1 3.5Å; I563-I567 PolarHBondContact O-N 3.19Å; I564-I567 PolarHBondContact O-N 2.9Å; I567-T571 HydrophobicContact CG2-CG2 4.43Å; I567-T571 WeakPolarHBondContact O-CB 3.49Å; I567-T571 VanDerWaalsContact O-CG2 3.31Å; I567-T571 WeakPolarHBondContact O-CG2 3.28Å; I567-T571 PolarHBondContact O-N 3.12Å; I567-T571 VanDerWaalsContact O-N 3.16Å; I567-T571 PolarHBondContact O-OG1 2.98Å; I567-I575 HydrophobicContact CB-CD1 4.22Å; I567-I575 HydrophobicContact CG2-CD1 3.61Å; I567-A615 HydrophobicContact CG2-CB 4.27Å; I567-L618 HydrophobicContact CD1-CB 4.43Å; I567-L618 HydrophobicContact CG1-CB 4.31Å; I567-L618 HydrophobicContact CG2-CB 4.02Å; I567-L618 HydrophobicContact CG2-CD1 4.07Å; I567-I619 HydrophobicContact CD1-CG1 4.05Å
568Q92.4Very high90.1Very high54 Ų5460.4 Ų60.425%0.25233%0.326SS..Hα-helixtrans-55.9-51172.8-75.1178.46.800111.5I564 T566 T571 G572 T573 I575I564-Q568 VanDerWaalsContact O-CG 3.31Å; I564-Q568 WeakPolarHBondContact O-CG 3.31Å; I564-Q568 PolarHBondContact O-N 3.19Å; T566-Q568 PolarHBondContact O-N 3.42Å; Q568-T571 PolarHBondContact O-N 3.46Å; Q568-T571 PolarHBondContact O-OG1 3.41Å; Q568-G572 WeakPolarHBondContact O-CA 3.42Å; Q568-G572 PolarHBondContact O-N 3.44Å; Q568-T573 VanDerWaalsContact CA-O 3.23Å; Q568-T573 WeakPolarHBondContact CA-O 3.45Å; Q568-T573 WeakPolarHBondContact CB-O 3.28Å; Q568-T573 WeakPolarHBondContact CG-O 3.45Å; Q568-T573 PolarHBondContact O-N 3.19Å; Q568-I575 HydrophobicContact CG-CB 3.93Å; Q568-I575 HydrophobicContact CG-CD1 3.96Å; Q568-I575 HydrophobicContact CG-CG1 3.77Å; Q568-I575 PolarHBondContact NE2-O 3.45Å
569K91.3Very high89.5Confident174 Ų17463.9 Ų63.976%0.75735%0.346SS*.Hα-helixtrans-62.6-46.5-178.9-176.8-179.4178.6-179.10113.2T565 T566 T571T565-K569 WeakPolarHBondContact O-CB 3.4Å; T565-K569 PolarHBondContact O-N 3.04Å; T566-K569 PolarHBondContact O-N 2.95Å; K569-T571 VanDerWaalsContact C-N 3.31Å; K569-T571 PolarHBondContact O-N 3.14Å
570D90.9Very high88.5Confident77 Ų7767.7 Ų67.741%0.41235%0.352SS..Hα-helixtrans-70.4-29.1-175.9-71.1-8.3000112.2T566 R611T566-D570 WeakPolarHBondContact O-CB 3.28Å; T566-D570 PolarHBondContact O-N 3.13Å; D570-R611 PolarHBondContact O-NH1 3.02Å
571T91.3Very high87.4Confident0 Ų066.2 Ų66.20%035%0.345CS..Hα-helixtrans-96.2-21.2-179.461.70000114.1I567 Q568 K569 T573 R611 Q614 A615 L618I567-T571 HydrophobicContact CG2-CG2 4.43Å; I567-T571 WeakPolarHBondContact O-CB 3.49Å; I567-T571 VanDerWaalsContact O-CG2 3.31Å; I567-T571 WeakPolarHBondContact O-CG2 3.28Å; I567-T571 PolarHBondContact O-N 3.12Å; I567-T571 VanDerWaalsContact O-N 3.16Å; I567-T571 PolarHBondContact O-OG1 2.98Å; Q568-T571 PolarHBondContact O-N 3.46Å; Q568-T571 PolarHBondContact O-OG1 3.41Å; K569-T571 VanDerWaalsContact C-N 3.31Å; K569-T571 PolarHBondContact O-N 3.14Å; T571-T573 VanDerWaalsContact C-N 3.32Å; T571-T573 PolarHBondContact OG1-N 3.23Å; T571-T573 PolarHBondContact OG1-OG1 2.96Å; T571-R611 WeakPolarHBondContact O-CB 3.32Å; T571-R611 WeakPolarHBondContact O-CD 3.44Å; T571-R611 VanDerWaalsContact O-CG 3.24Å; T571-R611 WeakPolarHBondContact O-CG 3.45Å; T571-R611 PolarHBondContact O-NE 3.31Å; T571-R611 PolarHBondContact O-NH1 3.24Å; T571-R611 VanDerWaalsContact O-NH1 3.16Å; T571-Q614 HydrophobicContact CG2-CB 4.14Å; T571-Q614 HydrophobicContact CG2-CG 3.89Å; T571-A615 HydrophobicContact CG2-CB 3.99Å; T571-L618 HydrophobicContact CG2-CD1 3.67Å
572G90.1Very high85.6Confident18 Ų1867.8 Ų67.819%0.18636%0.357CS..THydrogen-bonded Turntrans7029-169.300000113Q568Q568-G572 WeakPolarHBondContact O-CA 3.42Å; Q568-G572 PolarHBondContact O-N 3.44Å
573T92.5Very high84Confident8 Ų869.8 Ų69.85%0.04937%0.367CS..  trans-110.2154.5176.165.30000111.3Q568 T571 I575 I594 S595 A596 R611 A615Q568-T573 VanDerWaalsContact CA-O 3.23Å; Q568-T573 WeakPolarHBondContact CA-O 3.45Å; Q568-T573 WeakPolarHBondContact CB-O 3.28Å; Q568-T573 WeakPolarHBondContact CG-O 3.45Å; Q568-T573 PolarHBondContact O-N 3.19Å; T571-T573 VanDerWaalsContact C-N 3.32Å; T571-T573 PolarHBondContact OG1-N 3.23Å; T571-T573 PolarHBondContact OG1-OG1 2.96Å; T573-I575 WeakPolarHBondContact OG1-CG1 3.44Å; T573-I594 HydrophobicContact CG2-CG2 4.05Å; T573-S595 WeakPolarHBondContact CA-O 3.43Å; T573-A596 HydrophobicContact CG2-CB 4.3Å; T573-R611 HydrophobicContact CG2-CB 3.75Å; T573-A615 HydrophobicContact CG2-CB 4.28Å
574E92.2Very high82.3Confident75 Ų7579.2 Ų79.235%0.3540%0.399SS..EExtended strand (participates in β ladder)trans-98.1126.7167.3-168177.5141.400107.8R538 S595 Y597R538-E574 IonicContact CZ-OE2 3.68Å; R538-E574 IonicContact NE-OE2 3.97Å; R538-E574 IonicContact NH2-OE2 2.65Å; R538-E574 PolarHBondContact NH2-OE2 3.28Å; E574-S595 PolarHBondContact N-O 2.94Å; E574-S595 PolarHBondContact O-N 3.44Å; E574-Y597 HydrophobicContact CB-CD2 4.29Å; E574-Y597 HydrophobicContact CB-CE2 3.83Å; E574-Y597 HydrophobicContact CG-CE2 4.46Å; E574-Y597 VanDerWaalsContact OE2-CE2 3.23Å; E574-Y597 WeakPolarHBondContact OE2-CE2 3.1Å
575I93.7Very high81Confident6 Ų680.8 Ų80.83%0.03142%0.417CS..EExtended strand (participates in β ladder)trans-123.8106.7-174.9-49.1169000109.1I564 I567 Q568 T573 S577 F592 E593 I594 A615 I619I564-I575 HydrophobicContact CD1-CB 3.99Å; I564-I575 HydrophobicContact CD1-CD1 3.92Å; I564-I575 HydrophobicContact CD1-CG2 3.78Å; I564-I575 HydrophobicContact CG1-CB 4.23Å; I564-I575 HydrophobicContact CG1-CG2 4.34Å; I567-I575 HydrophobicContact CB-CD1 4.22Å; I567-I575 HydrophobicContact CG2-CD1 3.61Å; Q568-I575 HydrophobicContact CG-CB 3.93Å; Q568-I575 HydrophobicContact CG-CD1 3.96Å; Q568-I575 HydrophobicContact CG-CG1 3.77Å; Q568-I575 PolarHBondContact NE2-O 3.45Å; T573-I575 WeakPolarHBondContact OG1-CG1 3.44Å; I575-S577 PolarHBondContact O-N 2.88Å; I575-F592 HydrophobicContact CG2-CB 4.42Å; I575-F592 HydrophobicContact CG2-CD1 4.27Å; I575-E593 CarbonylContact C-O 3.54Å; I575-E593 WeakPolarHBondContact CA-O 3.34Å; I575-I594 HydrophobicContact CG1-CB 4.46Å; I575-I594 HydrophobicContact CG1-CG1 4.13Å; I575-I594 HydrophobicContact CG1-CG2 4.2Å; I575-I594 HydrophobicContact CG2-CG1 3.87Å; I575-A615 HydrophobicContact CD1-CB 4.05Å; I575-I619 HydrophobicContact CD1-CD1 4.35Å; I575-I619 HydrophobicContact CG2-CD1 4.32Å
576K91.6Very high79.4Confident142 Ų14283 Ų8362%0.61743%0.433SS*.EExtended strand (participates in β ladder)trans-81.6114.8176.3-176.9177.2-179-179.30108.7E593K576-E593 HydrophobicContact CB-CB 4.32Å; K576-E593 PolarHBondContact N-O 2.91Å; K576-E593 PolarHBondContact O-N 2.95Å
577S86.1Confident78.2Confident53 Ų5383.6 Ų83.637%0.37143%0.434SS..PPolyproline II helixtrans-68.3149.5170.953.70000110.8I575I575-S577 PolarHBondContact O-N 2.88Å
578P80.8Confident77.5Confident20 Ų2083.4 Ų83.413%0.1343%0.433CS..PPolyproline II helixtrans-61.6155.2168.525-30.6000110.8V553 S590 E591V553-P578 HydrophobicContact CG1-CG 4.28Å; P578-S590 WeakPolarHBondContact CB-OG 3.29Å; P578-S590 WeakPolarHBondContact CG-OG 3.43Å; P578-E591 WeakPolarHBondContact CD-O 3.36Å
579P74.4Confident77.1Confident88 Ų8884.3 Ų84.357%0.57144%0.443SS*.PPolyproline II helixtrans-62.8150.4172.828.9-34.8000110.4E581 A582P579-E581 PolarHBondContact O-N 3.41Å; P579-A582 HydrophobicContact CG-CB 4.22Å
580K65.9Low77Confident199 Ų19976.2 Ų76.287%0.86541%0.408SS*.SBendtrans-61.6-14.9178.6-164.4179.7177.6-172.20113.2
581E59.1Low76.8Confident180 Ų18076.8 Ų76.884%0.84141%0.408SS*.SBendtrans-123.975.3-173.5-68.4167.5-156.700110.8P579P579-E581 PolarHBondContact O-N 3.41Å
582A51.7Low76.9Confident44 Ų4476.8 Ų76.836%0.36441%0.408SS..SBendtrans-152.8142.8165.900000110.1P579P579-A582 HydrophobicContact CG-CB 4.22Å
583V57Low77.1Confident93 Ų9377.2 Ų77.256%0.56441%0.405SS*.  trans57.7103.5178.1-1610000114.4A588V583-A588 HydrophobicContact CB-CB 4.07Å; V583-A588 HydrophobicContact CG1-CB 3.6Å; V583-A588 WeakPolarHBondContact O-CB 3.47Å
584R56.5Low77.2Confident263 Ų26376.8 Ų76.899%0.99240%0.403SS*.  trans-112.4105.4176.1-156.7-179.9-160.1-170.75.9109.9
585G63.7Low77.3Confident43 Ų4373.5 Ų73.544%0.44339%0.388SS..SBendtrans-179.7165.5-179.900000111N587 A588G585-N587 PolarHBondContact O-N 3.44Å; G585-A588 WeakPolarHBondContact O-CB 3.12Å; G585-A588 PolarHBondContact O-N 3.46Å
586P60.3Low77.2Confident124 Ų12473.2 Ų73.281%0.80539%0.387SS*.THydrogen-bonded Turntrans-64.2-38.7-175.224.1-33000113.1A588P586-A588 VanDerWaalsContact C-N 3.34Å; P586-A588 PolarHBondContact O-N 2.85Å
587N67.5Low77Confident83 Ų8369 Ų6944%0.44437%0.367SS..THydrogen-bonded Turntrans-98.132.2177.5-57.940.1000111.6G585 T589 D681G585-N587 PolarHBondContact O-N 3.44Å; N587-T589 PolarHBondContact O-N 3.18Å; N587-D681 PolarHBondContact ND2-OD1 3.14Å
588A79.3Confident76.7Confident7 Ų771.1 Ų71.16%0.05837%0.372CS..  trans-66.7117.7179.900000110.9Q550 V583 G585 P586Q550-A588 HydrophobicContact CB-CB 3.87Å; Q550-A588 WeakPolarHBondContact CB-O 3.27Å; Q550-A588 PolarHBondContact N-O 3.11Å; V583-A588 HydrophobicContact CB-CB 4.07Å; V583-A588 HydrophobicContact CG1-CB 3.6Å; V583-A588 WeakPolarHBondContact O-CB 3.47Å; G585-A588 WeakPolarHBondContact O-CB 3.12Å; G585-A588 PolarHBondContact O-N 3.46Å; P586-A588 VanDerWaalsContact C-N 3.34Å; P586-A588 PolarHBondContact O-N 2.85Å
589T84.1Confident76Confident74 Ų7473.1 Ų73.145%0.45440%0.395SS..EExtended strand (participates in β ladder)trans-106.4140.917164.30000111.5V548 N587V548-T589 CarbonylContact O-C 3.56Å; V548-T589 WeakPolarHBondContact O-CA 3.48Å; N587-T589 PolarHBondContact O-N 3.18Å
590S87.6Confident75.3Confident4 Ų474.8 Ų74.83%0.02840%0.399CS..EExtended strand (participates in β ladder)trans-113.3128.5-177-125.40000109.5V548 Q550 V553 P578V548-S590 PolarHBondContact N-O 3.31Å; V548-S590 PolarHBondContact O-N 3.03Å; Q550-S590 PolarHBondContact OE1-OG 3.15Å; V553-S590 VanDerWaalsContact CG2-CB 3.4Å; P578-S590 WeakPolarHBondContact CB-OG 3.29Å; P578-S590 WeakPolarHBondContact CG-OG 3.43Å
591E88.4Confident75.1Confident88 Ų8869.3 Ų69.341%0.41140%0.399SS..EExtended strand (participates in β ladder)trans-85.7119.2178.8-66.9-166.9146.800111.6R545 P578R545-E591 VanDerWaalsContact CD-OE2 3.27Å; R545-E591 WeakPolarHBondContact CD-OE2 3.44Å; R545-E591 IonicContact CZ-OE2 2.84Å; R545-E591 VanDerWaalsContact CZ-OE2 3.32Å; R545-E591 IonicContact NE-OE2 2.91Å; R545-E591 IonicContact NH1-OE1 2.72Å; R545-E591 IonicContact NH1-OE2 3.07Å; R545-E591 PolarHBondContact NH1-OE2 3.29Å; P578-E591 WeakPolarHBondContact CD-O 3.36Å
592F93Very high75.5Confident0 Ų061.4 Ų61.40%036%0.362CS..EExtended strand (participates in β ladder)trans-85.7134.3162.5-74.4-98.7000110.1R545 I546 V548 V553 I556 I557 I564 I575 I619R545-F592 WeakPolarHBondContact CA-O 3.38Å; I546-F592 HydrophobicContact CG2-CB 3.96Å; I546-F592 PolarHBondContact N-O 2.77Å; I546-F592 VanDerWaalsContact N-O 3.14Å; I546-F592 PolarHBondContact O-N 3.33Å; V548-F592 HydrophobicContact CB-CD2 4Å; V548-F592 HydrophobicContact CB-CE2 3.87Å; V548-F592 HydrophobicContact CG1-CE2 4.06Å; V548-F592 HydrophobicContact CG2-CD2 3.64Å; V548-F592 HydrophobicContact CG2-CE2 3.83Å; V553-F592 HydrophobicContact CB-CE2 4.47Å; V553-F592 HydrophobicContact CB-CZ 4.42Å; V553-F592 HydrophobicContact CG1-CE2 4.29Å; V553-F592 HydrophobicContact CG1-CZ 3.92Å; V553-F592 HydrophobicContact CG2-CE2 4.09Å; I556-F592 HydrophobicContact CB-CZ 4.11Å; I556-F592 HydrophobicContact CG2-CE1 4.17Å; I556-F592 HydrophobicContact CG2-CE2 4.4Å; I556-F592 HydrophobicContact CG2-CZ 3.89Å; I557-F592 HydrophobicContact CG1-CE1 4.08Å; I557-F592 HydrophobicContact CG1-CZ 4.2Å; I564-F592 HydrophobicContact CD1-CD1 4.33Å; I564-F592 HydrophobicContact CD1-CE1 4.32Å; I575-F592 HydrophobicContact CG2-CB 4.42Å; I575-F592 HydrophobicContact CG2-CD1 4.27Å; F592-I619 HydrophobicContact CB-CD1 4.47Å
593E93.7Very high76.2Confident27 Ų2764.8 Ų64.813%0.12638%0.383CS..EExtended strand (participates in β ladder)trans-110.6113.2-178178.9171107.800110.9R543 R545 I575 K576R543-E593 IonicContact CZ-OE1 3.81Å; R543-E593 IonicContact CZ-OE2 3.09Å; R543-E593 VanDerWaalsContact NH1-CD 3.26Å; R543-E593 IonicContact NH1-OE1 2.81Å; R543-E593 PolarHBondContact NH1-OE1 2.62Å; R543-E593 IonicContact NH1-OE2 2.75Å; R543-E593 IonicContact NH2-OE1 2.62Å; R543-E593 PolarHBondContact NH2-OE1 3.47Å; R543-E593 IonicContact NH2-OE2 3.56Å; R543-E593 PolarHBondContact NH2-OE2 3.04Å; R545-E593 IonicContact CZ-OE2 3.87Å; R545-E593 IonicContact NE-OE2 3.32Å; R545-E593 PolarHBondContact NE-OE2 3.23Å; R545-E593 IonicContact NH2-OE2 3.4Å; R545-E593 PolarHBondContact NH2-OE2 2.91Å; I575-E593 CarbonylContact C-O 3.54Å; I575-E593 WeakPolarHBondContact CA-O 3.34Å; K576-E593 HydrophobicContact CB-CB 4.32Å; K576-E593 PolarHBondContact N-O 2.91Å; K576-E593 PolarHBondContact O-N 2.95Å
594I94.8Very high77.3Confident0 Ų062.8 Ų62.80%037%0.373CS..EExtended strand (participates in β ladder)trans-105126.9-174.5-55.6160.6000108.4R543 G544 I546 T573 I575 V612 A615 K616 I619R543-I594 CarbonylContact C-O 3.17Å; R543-I594 VanDerWaalsContact CA-O 3.29Å; R543-I594 WeakPolarHBondContact CA-O 3.19Å; G544-I594 PolarHBondContact N-O 3.5Å; G544-I594 WeakPolarHBondContact O-CB 3.14Å; G544-I594 PolarHBondContact O-N 3.5Å; I546-I594 HydrophobicContact CG2-CD1 4.04Å; T573-I594 HydrophobicContact CG2-CG2 4.05Å; I575-I594 HydrophobicContact CG1-CB 4.46Å; I575-I594 HydrophobicContact CG1-CG1 4.13Å; I575-I594 HydrophobicContact CG1-CG2 4.2Å; I575-I594 HydrophobicContact CG2-CG1 3.87Å; I594-V612 HydrophobicContact CB-CG1 4.26Å; I594-V612 HydrophobicContact CG2-CB 4.22Å; I594-V612 HydrophobicContact CG2-CG1 3.96Å; I594-V612 HydrophobicContact CG2-CG2 4.14Å; I594-A615 HydrophobicContact CD1-CB 4.15Å; I594-A615 HydrophobicContact CG2-CB 3.77Å; I594-K616 HydrophobicContact CD1-CB 4.33Å; I594-K616 HydrophobicContact CD1-CG 3.46Å; I594-K616 VanDerWaalsContact CD1-CG 3.46Å; I594-I619 HydrophobicContact CD1-CD1 4.14Å; I594-I619 HydrophobicContact CG1-CD1 4.42Å
595S93.3Very high78.5Confident6 Ų654.9 Ų54.94%0.04235%0.351CS..EExtended strand (participates in β ladder)trans-129136.1177.9-58.20000111.1R543 T573 E574R543-S595 PolarHBondContact NH1-OG 3.45Å; T573-S595 WeakPolarHBondContact CA-O 3.43Å; E574-S595 PolarHBondContact N-O 2.94Å; E574-S595 PolarHBondContact O-N 3.44Å
596A92.1Very high79.5Confident0 Ų057.6 Ų57.60%035%0.352CS..EExtended strand (participates in β ladder)trans-113.8130.6173.600000109.7L541 A542 T573 L602 A608 V612L541-A596 PolarHBondContact N-O 3.07Å; A542-A596 HydrophobicContact CB-CB 4.41Å; A542-A596 PolarHBondContact N-O 3.23Å; A542-A596 PolarHBondContact O-N 2.95Å; T573-A596 HydrophobicContact CG2-CB 4.3Å; A596-L602 HydrophobicContact CB-CD1 4.25Å; A596-A608 HydrophobicContact CB-CB 3.85Å; A596-V612 HydrophobicContact CB-CG2 3.74Å
597Y88.6Confident80.7Confident52 Ų5253.3 Ų53.320%0.20433%0.327CS..EExtended strand (participates in β ladder)trans-115.7151-172.5-66.3-85.5000112.5R538 V539 L540 E574 G599R538-Y597 HydrophobicContact CB-CD1 3.55Å; R538-Y597 HydrophobicContact CB-CE1 4.22Å; R538-Y597 HydrophobicContact CB-CG 3.88Å; R538-Y597 WeakPolarHBondContact O-CD1 3.46Å; V539-Y597 CarbonylContact O-C 3.59Å; V539-Y597 VanDerWaalsContact O-CA 3.3Å; V539-Y597 WeakPolarHBondContact O-CA 3.19Å; L540-Y597 HydrophobicContact CB-CD1 4Å; L540-Y597 HydrophobicContact CB-CE1 3.87Å; L540-Y597 HydrophobicContact CD1-CE1 4.09Å; L540-Y597 HydrophobicContact CG-CE1 4.38Å; E574-Y597 HydrophobicContact CB-CD2 4.29Å; E574-Y597 HydrophobicContact CB-CE2 3.83Å; E574-Y597 HydrophobicContact CG-CE2 4.46Å; E574-Y597 VanDerWaalsContact OE2-CE2 3.23Å; E574-Y597 WeakPolarHBondContact OE2-CE2 3.1Å; Y597-G599 PolarHBondContact O-N 3.26Å; Y597-G599 VanDerWaalsContact O-N 3.13Å
598Q78.7Confident81.8Confident99 Ų9949.4 Ų49.446%0.46331%0.306SS..THydrogen-bonded Turntrans-67.9105.1168.9-155.3171.123.400108.4V539 L541V539-Q598 HydrophobicContact CB-CB 3.93Å; V539-Q598 PolarHBondContact O-N 2.78Å; L541-Q598 HydrophobicContact CD1-CB 3.83Å; L541-Q598 HydrophobicContact CD1-CG 4.12Å; L541-Q598 HydrophobicContact CD2-CB 3.99Å; L541-Q598 HydrophobicContact CD2-CG 4.23Å; L541-Q598 HydrophobicContact CG-CB 3.83Å; L541-Q598 HydrophobicContact CG-CG 4.42Å
599G67Low82.2Confident61 Ų6154.7 Ų54.763%0.62933%0.33SS*.THydrogen-bonded Turntrans164.1-18.3-17700000116.5Y597Y597-G599 PolarHBondContact O-N 3.26Å; Y597-G599 VanDerWaalsContact O-N 3.13Å
600L59.7Low82.5Confident124 Ų12455.1 Ų55.165%0.64934%0.335SS*.SBendtrans-124.565.7-179.5-67.1176.4000112.3L602L600-L602 VanDerWaalsContact C-N 3.28Å; L600-L602 PolarHBondContact O-N 2.72Å
601G61.4Low82.7Confident83 Ų8358.8 Ų58.886%0.85635%0.348SS*.SBendtrans69.919.3174.900000115.3
602L66.6Low82.9Confident15 Ų1555 Ų558%0.07933%0.331CS..  trans-108112.7179.1-58.7175.5000110L541 A596 L600 A607 A608 R611L541-L602 HydrophobicContact CD1-CB 4Å; A596-L602 HydrophobicContact CB-CD1 4.25Å; L600-L602 VanDerWaalsContact C-N 3.28Å; L600-L602 PolarHBondContact O-N 2.72Å; L602-A607 HydrophobicContact CD2-CB 3.9Å; L602-A608 HydrophobicContact CD1-CB 4.11Å; L602-R611 HydrophobicContact CD1-CG 4.14Å; L602-R611 HydrophobicContact CD2-CG 3.76Å
603S67.2Low83Confident114 Ų11458.9 Ų58.980%0.79735%0.349SS*.  trans-103-9.8179.454.70000114.2
604S79Confident83Confident51 Ų5161 Ų6136%0.35736%0.359SS..SBendtrans-139.4152.4-178.671.80000112.4Q606 A607 A608S604-Q606 VanDerWaalsContact C-N 3.29Å; S604-Q606 PolarHBondContact O-N 3.26Å; S604-A607 WeakPolarHBondContact O-CB 3.09Å; S604-A607 PolarHBondContact O-N 3.07Å; S604-A607 VanDerWaalsContact O-N 3.14Å; S604-A607 WeakPolarHBondContact OG-CB 3.43Å; S604-A607 PolarHBondContact OG-N 2.8Å; S604-A608 PolarHBondContact O-N 3.46Å
605N82.6Confident82.9Confident98 Ų9861 Ų6152%0.52436%0.359SS..Hα-helixtrans-59.7-40.6177.3-62.7-8.8000111.2A607 A608 E609N605-A607 VanDerWaalsContact C-N 3.29Å; N605-A607 PolarHBondContact O-N 3.31Å; N605-A608 CarbonylContact O-C 3.53Å; N605-A608 WeakPolarHBondContact O-CA 3.41Å; N605-A608 WeakPolarHBondContact O-CB 3.46Å; N605-A608 PolarHBondContact O-N 3.38Å; N605-E609 WeakPolarHBondContact O-CG 3.34Å; N605-E609 PolarHBondContact O-N 2.88Å
606Q85Confident83Confident100 Ų10061.6 Ų61.647%0.46736%0.361SS..Hα-helixtrans-60.1-36.3176.8-168.3-177.225.500112.6S604 C610S604-Q606 VanDerWaalsContact C-N 3.29Å; S604-Q606 PolarHBondContact O-N 3.26Å; Q606-C610 VanDerWaalsContact O-CB 3.31Å; Q606-C610 WeakPolarHBondContact O-CB 3.31Å; Q606-C610 PolarHBondContact O-N 3.33Å
607A85.2Confident83.1Confident34 Ų3466.4 Ų66.428%0.28138%0.383SS..Hα-helixtrans-68.4-38.5174.100000111.5L602 S604 N605 C610 R611L602-A607 HydrophobicContact CD2-CB 3.9Å; S604-A607 WeakPolarHBondContact O-CB 3.09Å; S604-A607 PolarHBondContact O-N 3.07Å; S604-A607 VanDerWaalsContact O-N 3.14Å; S604-A607 WeakPolarHBondContact OG-CB 3.43Å; S604-A607 PolarHBondContact OG-N 2.8Å; N605-A607 VanDerWaalsContact C-N 3.29Å; N605-A607 PolarHBondContact O-N 3.31Å; A607-C610 WeakPolarHBondContact O-CB 3.27Å; A607-C610 PolarHBondContact O-N 3.02Å; A607-R611 WeakPolarHBondContact O-CG 3.46Å; A607-R611 PolarHBondContact O-N 3.26Å; A607-R611 VanDerWaalsContact O-N 3.12Å
608A89.4Confident83.4Confident0 Ų066.2 Ų66.20%039%0.385CS..Hα-helixtrans-68-43.5176.200000112.7L541 A542 A596 L602 S604 N605 C610 R611 V612L541-A608 HydrophobicContact CB-CB 3.41Å; L541-A608 VanDerWaalsContact CB-CB 3.41Å; L541-A608 HydrophobicContact CD1-CB 4.01Å; L541-A608 HydrophobicContact CG-CB 4.39Å; A542-A608 HydrophobicContact CB-CB 3.72Å; A596-A608 HydrophobicContact CB-CB 3.85Å; L602-A608 HydrophobicContact CD1-CB 4.11Å; S604-A608 PolarHBondContact O-N 3.46Å; N605-A608 CarbonylContact O-C 3.53Å; N605-A608 WeakPolarHBondContact O-CA 3.41Å; N605-A608 WeakPolarHBondContact O-CB 3.46Å; N605-A608 PolarHBondContact O-N 3.38Å; A608-C610 VanDerWaalsContact C-N 3.3Å; A608-C610 PolarHBondContact O-N 3.39Å; A608-R611 PolarHBondContact O-N 3.02Å; A608-R611 VanDerWaalsContact O-N 3.14Å; A608-V612 WeakPolarHBondContact O-CG2 3.42Å; A608-V612 PolarHBondContact O-N 2.68Å
609E89.6Confident84.1Confident119 Ų11961.5 Ų61.556%0.55636%0.363SS*.Hα-helixtrans-58.2-42.2171.9-71.7176.6161.600111.4A542 N605 R611 V612 Q613A542-E609 HydrophobicContact CB-CB 4.46Å; A542-E609 HydrophobicContact CB-CG 3.86Å; N605-E609 WeakPolarHBondContact O-CG 3.34Å; N605-E609 PolarHBondContact O-N 2.88Å; E609-R611 VanDerWaalsContact C-N 3.33Å; E609-R611 PolarHBondContact O-N 3.16Å; E609-V612 PolarHBondContact O-N 3.31Å; E609-Q613 WeakPolarHBondContact O-CB 3.45Å; E609-Q613 PolarHBondContact O-N 3.44Å
610C89.4Confident85.4Confident83 Ų8359 Ų5956%0.56134%0.337SS*.Hα-helixtrans-58.9-42.1174.7-172.40000111.8Q606 A607 A608 Q613 Q614Q606-C610 VanDerWaalsContact O-CB 3.31Å; Q606-C610 WeakPolarHBondContact O-CB 3.31Å; Q606-C610 PolarHBondContact O-N 3.33Å; A607-C610 WeakPolarHBondContact O-CB 3.27Å; A607-C610 PolarHBondContact O-N 3.02Å; A608-C610 VanDerWaalsContact C-N 3.3Å; A608-C610 PolarHBondContact O-N 3.39Å; C610-Q613 PolarHBondContact O-N 2.86Å; C610-Q614 WeakPolarHBondContact O-CB 3.04Å; C610-Q614 PolarHBondContact O-N 2.82Å
611R91.6Very high86.9Confident81 Ų8157.6 Ų57.631%0.30633%0.327SS..Hα-helixtrans-66.1-42.2173.9-62.4-43.6-156.9128.115.3113.1D570 T571 T573 L602 A607 A608 E609 Q613 Q614 A615D570-R611 PolarHBondContact O-NH1 3.02Å; T571-R611 WeakPolarHBondContact O-CB 3.32Å; T571-R611 WeakPolarHBondContact O-CD 3.44Å; T571-R611 VanDerWaalsContact O-CG 3.24Å; T571-R611 WeakPolarHBondContact O-CG 3.45Å; T571-R611 PolarHBondContact O-NE 3.31Å; T571-R611 PolarHBondContact O-NH1 3.24Å; T571-R611 VanDerWaalsContact O-NH1 3.16Å; T573-R611 HydrophobicContact CG2-CB 3.75Å; L602-R611 HydrophobicContact CD1-CG 4.14Å; L602-R611 HydrophobicContact CD2-CG 3.76Å; A607-R611 WeakPolarHBondContact O-CG 3.46Å; A607-R611 PolarHBondContact O-N 3.26Å; A607-R611 VanDerWaalsContact O-N 3.12Å; A608-R611 PolarHBondContact O-N 3.02Å; A608-R611 VanDerWaalsContact O-N 3.14Å; E609-R611 VanDerWaalsContact C-N 3.33Å; E609-R611 PolarHBondContact O-N 3.16Å; R611-Q613 VanDerWaalsContact C-N 3.32Å; R611-Q613 PolarHBondContact O-N 3.46Å; R611-Q614 VanDerWaalsContact NH1-OE1 3.07Å; R611-Q614 WeakPolarHBondContact O-CB 3.49Å; R611-Q614 PolarHBondContact O-N 3.43Å; R611-A615 PolarHBondContact O-N 3.42Å
612V93.9Very high88.3Confident8 Ų854.8 Ų54.85%0.04829%0.292CS..Hα-helixtrans-60.3-43.4175.5172.30000110.7A542 I594 A596 A608 E609 A615 K616A542-V612 HydrophobicContact CB-CG2 3.87Å; I594-V612 HydrophobicContact CB-CG1 4.26Å; I594-V612 HydrophobicContact CG2-CB 4.22Å; I594-V612 HydrophobicContact CG2-CG1 3.96Å; I594-V612 HydrophobicContact CG2-CG2 4.14Å; A596-V612 HydrophobicContact CB-CG2 3.74Å; A608-V612 WeakPolarHBondContact O-CG2 3.42Å; A608-V612 PolarHBondContact O-N 2.68Å; E609-V612 PolarHBondContact O-N 3.31Å; V612-A615 PolarHBondContact O-N 2.84Å; V612-K616 PolarHBondContact O-N 3.14Å
613Q93.8Very high89.5Confident81 Ų8154.1 Ų54.138%0.37929%0.289SS..Hα-helixtrans-70.5-35177.9-168.563.222.500112.3E609 C610 R611 A615 K616 Q617E609-Q613 WeakPolarHBondContact O-CB 3.45Å; E609-Q613 PolarHBondContact O-N 3.44Å; C610-Q613 PolarHBondContact O-N 2.86Å; R611-Q613 VanDerWaalsContact C-N 3.32Å; R611-Q613 PolarHBondContact O-N 3.46Å; Q613-A615 VanDerWaalsContact C-N 3.34Å; Q613-A615 PolarHBondContact O-N 2.88Å; Q613-K616 PolarHBondContact O-N 2.99Å; Q613-Q617 PolarHBondContact O-N 3.36Å
614Q93.1Very high90.3Very high73 Ų7349.7 Ų49.734%0.34126%0.256SS..Hα-helixtrans-59.3-44.2171.4-167.9-171.48.500111.1T571 C610 R611 Q617 L618T571-Q614 HydrophobicContact CG2-CB 4.14Å; T571-Q614 HydrophobicContact CG2-CG 3.89Å; C610-Q614 WeakPolarHBondContact O-CB 3.04Å; C610-Q614 PolarHBondContact O-N 2.82Å; R611-Q614 VanDerWaalsContact NH1-OE1 3.07Å; R611-Q614 WeakPolarHBondContact O-CB 3.49Å; R611-Q614 PolarHBondContact O-N 3.43Å; Q614-Q617 PolarHBondContact O-N 3.33Å; Q614-L618 WeakPolarHBondContact O-CG 3.38Å; Q614-L618 PolarHBondContact O-N 3.23Å
615A94.4Very high90.6Very high0 Ų052.2 Ų52.20%026%0.258CS..Hα-helixtrans-65.9-42.4175.800000112.5I567 T571 T573 I575 I594 R611 V612 Q613 Q617 L618 I619I567-A615 HydrophobicContact CG2-CB 4.27Å; T571-A615 HydrophobicContact CG2-CB 3.99Å; T573-A615 HydrophobicContact CG2-CB 4.28Å; I575-A615 HydrophobicContact CD1-CB 4.05Å; I594-A615 HydrophobicContact CD1-CB 4.15Å; I594-A615 HydrophobicContact CG2-CB 3.77Å; R611-A615 PolarHBondContact O-N 3.42Å; V612-A615 PolarHBondContact O-N 2.84Å; Q613-A615 VanDerWaalsContact C-N 3.34Å; Q613-A615 PolarHBondContact O-N 2.88Å; A615-Q617 VanDerWaalsContact C-N 3.3Å; A615-Q617 PolarHBondContact O-N 2.93Å; A615-L618 PolarHBondContact O-N 3.35Å; A615-I619 WeakPolarHBondContact O-CG1 3.42Å; A615-I619 PolarHBondContact O-N 3.05Å
616K95Very high90.6Very high18 Ų1848.6 Ų48.68%0.07824%0.237CC..Hα-helixtrans-56.9-43.4171.8-74.5-169.3179.7-162.10112.1R545 I546 I594 V612 Q613 I619 G620 W677R545-K616 WeakPolarHBondContact O-CE 3.28Å; R545-K616 PolarHBondContact O-NZ 3.34Å; I546-K616 HydrophobicContact CB-CG 4.37Å; I546-K616 HydrophobicContact CD1-CB 4.44Å; I594-K616 HydrophobicContact CD1-CB 4.33Å; I594-K616 HydrophobicContact CD1-CG 3.46Å; I594-K616 VanDerWaalsContact CD1-CG 3.46Å; V612-K616 PolarHBondContact O-N 3.14Å; Q613-K616 PolarHBondContact O-N 2.99Å; K616-I619 PolarHBondContact O-N 3.28Å; K616-G620 PolarHBondContact O-N 3.5Å; K616-W677 VanDerWaalsContact NZ-CD1 3.27Å
617Q93.7Very high90.5Very high101 Ų10145.5 Ų45.547%0.47222%0.224SC..Hα-helixtrans-66.9-39.6-179.7-171.2175.320.800112.1Q613 Q614 A615 G620 H621Q613-Q617 PolarHBondContact O-N 3.36Å; Q614-Q617 PolarHBondContact O-N 3.33Å; A615-Q617 VanDerWaalsContact C-N 3.3Å; A615-Q617 PolarHBondContact O-N 2.93Å; Q617-G620 PolarHBondContact O-N 2.82Å; Q617-H621 PolarHBondContact NE2-CE1 2.92Å; Q617-H621 WeakPolarHBondContact O-CB 3.47Å; Q617-H621 VanDerWaalsContact O-CG 3.3Å; Q617-H621 PolarHBondContact O-N 3.4Å
618L94.6Very high90.3Very high47 Ų4748.8 Ų48.825%0.24623%0.234CC..Hα-helixtrans-65.5-41.8175.6-71.3172000112.4I567 T571 Q614 A615 L622I567-L618 HydrophobicContact CD1-CB 4.43Å; I567-L618 HydrophobicContact CG1-CB 4.31Å; I567-L618 HydrophobicContact CG2-CB 4.02Å; I567-L618 HydrophobicContact CG2-CD1 4.07Å; T571-L618 HydrophobicContact CG2-CD1 3.67Å; Q614-L618 WeakPolarHBondContact O-CG 3.38Å; Q614-L618 PolarHBondContact O-N 3.23Å; A615-L618 PolarHBondContact O-N 3.35Å; L618-L622 WeakPolarHBondContact O-CB 3.33Å; L618-L622 PolarHBondContact O-N 2.77Å
619I94.5Very high89.8Confident0 Ų054.8 Ų54.80%026%0.256CS..Hα-helixtrans-63.8-46.4173.2-68.3171.7000110.3I546 V548 I556 I564 I567 I575 F592 I594 A615 K616 L622 V623I546-I619 HydrophobicContact CD1-CB 4.33Å; I546-I619 HydrophobicContact CD1-CG2 3.99Å; I546-I619 HydrophobicContact CG2-CB 4.48Å; I546-I619 HydrophobicContact CG2-CD1 4.11Å; I546-I619 HydrophobicContact CG2-CG2 3.98Å; V548-I619 HydrophobicContact CG2-CG2 3.93Å; I556-I619 HydrophobicContact CD1-CG2 3.93Å; I556-I619 HydrophobicContact CG2-CG1 4.31Å; I556-I619 HydrophobicContact CG2-CG2 4.26Å; I564-I619 HydrophobicContact CD1-CD1 4.33Å; I567-I619 HydrophobicContact CD1-CG1 4.05Å; I575-I619 HydrophobicContact CD1-CD1 4.35Å; I575-I619 HydrophobicContact CG2-CD1 4.32Å; F592-I619 HydrophobicContact CB-CD1 4.47Å; I594-I619 HydrophobicContact CD1-CD1 4.14Å; I594-I619 HydrophobicContact CG1-CD1 4.42Å; A615-I619 WeakPolarHBondContact O-CG1 3.42Å; A615-I619 PolarHBondContact O-N 3.05Å; K616-I619 PolarHBondContact O-N 3.28Å; I619-L622 WeakPolarHBondContact O-CB 3.33Å; I619-L622 PolarHBondContact O-N 2.94Å; I619-L622 VanDerWaalsContact O-N 3.09Å; I619-V623 PolarHBondContact O-N 2.83Å
620G93.8Very high89.1Confident8 Ų854.9 Ų54.98%0.08225%0.252CS..Hα-helixtrans-62.9-44.8-179.600000113.7K616 Q617 L622 V623 M624K616-G620 PolarHBondContact O-N 3.5Å; Q617-G620 PolarHBondContact O-N 2.82Å; G620-L622 PolarHBondContact O-N 3.46Å; G620-V623 WeakPolarHBondContact O-CB 3.26Å; G620-V623 PolarHBondContact O-N 2.94Å; G620-M624 WeakPolarHBondContact O-CG 3.43Å; G620-M624 PolarHBondContact O-N 3.44Å
621H90.3Very high88.3Confident96 Ų9653.4 Ų53.444%0.44425%0.245SC..Hα-helixtrans-61.1-30.4172.6-70162.8000112.5Q617 R625Q617-H621 PolarHBondContact NE2-CE1 2.92Å; Q617-H621 WeakPolarHBondContact O-CB 3.47Å; Q617-H621 VanDerWaalsContact O-CG 3.3Å; Q617-H621 PolarHBondContact O-N 3.4Å; H621-R625 VanDerWaalsContact O-CB 3.29Å; H621-R625 WeakPolarHBondContact O-CB 3.41Å; H621-R625 PolarHBondContact O-N 3.13Å
622L91.5Very high86.9Confident23 Ų2353.1 Ų53.112%0.1226%0.256CS..Hα-helixtrans-76.9-32.8176.3-172.457.1000112.6I556 I563 L618 I619 G620 Q626I556-L622 HydrophobicContact CB-CD2 4.26Å; I556-L622 HydrophobicContact CG1-CD2 3.96Å; I556-L622 HydrophobicContact CG1-CG 4.07Å; I556-L622 HydrophobicContact CG2-CD2 4.41Å; I563-L622 HydrophobicContact CG2-CD2 3.6Å; L618-L622 WeakPolarHBondContact O-CB 3.33Å; L618-L622 PolarHBondContact O-N 2.77Å; I619-L622 WeakPolarHBondContact O-CB 3.33Å; I619-L622 PolarHBondContact O-N 2.94Å; I619-L622 VanDerWaalsContact O-N 3.09Å; G620-L622 PolarHBondContact O-N 3.46Å; L622-Q626 WeakPolarHBondContact O-CG 3.24Å; L622-Q626 PolarHBondContact O-N 3.13Å
623V91.7Very high85.2Confident1 Ų158.4 Ų58.41%0.00628%0.28CS..Hα-helixtrans-60.9-56.2167.4174.80000109.9V548 M552 I556 I619 G620 R625 Q626 L627V548-V623 HydrophobicContact CG1-CG2 4.09Å; V548-V623 HydrophobicContact CG2-CG2 4.01Å; M552-V623 HydrophobicContact SD-CG1 4.15Å; I556-V623 HydrophobicContact CD1-CG2 3.49Å; I556-V623 VanDerWaalsContact CD1-CG2 3.49Å; I619-V623 PolarHBondContact O-N 2.83Å; G620-V623 WeakPolarHBondContact O-CB 3.26Å; G620-V623 PolarHBondContact O-N 2.94Å; V623-R625 VanDerWaalsContact C-N 3.34Å; V623-R625 PolarHBondContact O-N 3.31Å; V623-Q626 PolarHBondContact O-N 3.4Å; V623-L627 HydrophobicContact CG1-CD1 3.81Å; V623-L627 HydrophobicContact CG1-CG 4.46Å; V623-L627 PolarHBondContact O-N 3.26Å
624M84.9Confident83.4Confident21 Ų2159.7 Ų59.710%0.10329%0.286CS..Hα-helixtrans-56.7-45.5-177.8-63.7-49.6-6200112G620 Q626 L627 E628 W679 L694G620-M624 WeakPolarHBondContact O-CG 3.43Å; G620-M624 PolarHBondContact O-N 3.44Å; M624-Q626 PolarHBondContact O-N 3.01Å; M624-Q626 VanDerWaalsContact O-N 3.15Å; M624-L627 HydrophobicContact CE-CD1 4.34Å; M624-L627 WeakPolarHBondContact O-CB 3.46Å; M624-L627 PolarHBondContact O-N 3.46Å; M624-L627 VanDerWaalsContact O-N 3.11Å; M624-L627 HydrophobicContact SD-CD1 3.89Å; M624-E628 WeakPolarHBondContact O-CB 3.22Å; M624-E628 VanDerWaalsContact O-CG 3.28Å; M624-E628 WeakPolarHBondContact O-CG 3.49Å; M624-E628 PolarHBondContact O-N 3.01Å; M624-W679 HydrophobicContact CG-CH2 4.08Å; M624-W679 HydrophobicContact CG-CZ3 4.43Å; M624-W679 HydrophobicContact SD-CE3 4.46Å; M624-W679 HydrophobicContact SD-CH2 3.86Å; M624-W679 HydrophobicContact SD-CZ3 3.71Å; M624-L694 HydrophobicContact CE-CD1 3.84Å; M624-L694 HydrophobicContact CE-CG 4.19Å
625R85.4Confident81.7Confident105 Ų10560.6 Ų60.640%0.39630%0.296SS..Hα-helixtrans-60.5-25.5176.5-178.6174.7-70.2158.5-3.6114.4H621 V623 E628 R629H621-R625 VanDerWaalsContact O-CB 3.29Å; H621-R625 WeakPolarHBondContact O-CB 3.41Å; H621-R625 PolarHBondContact O-N 3.13Å; V623-R625 VanDerWaalsContact C-N 3.34Å; V623-R625 PolarHBondContact O-N 3.31Å; R625-E628 WeakPolarHBondContact CA-OE2 3.47Å; R625-R629 WeakPolarHBondContact O-CD 3.14Å; R625-R629 VanDerWaalsContact O-CG 3.27Å; R625-R629 WeakPolarHBondContact O-CG 3.47Å; R625-R629 PolarHBondContact O-N 2.89Å
626Q82.3Confident79.7Confident21 Ų2168.1 Ų68.110%0.09833%0.331CS..Hα-helixtrans-90.3-23.8178.2-63.9-69.7-6.800112.5M552 K555 L622 V623 M624 R630M552-Q626 HydrophobicContact CE-CB 4.42Å; M552-Q626 HydrophobicContact SD-CB 3.8Å; K555-Q626 HydrophobicContact CB-CG 4.29Å; K555-Q626 HydrophobicContact CD-CB 4.09Å; K555-Q626 HydrophobicContact CD-CG 3.78Å; K555-Q626 VanDerWaalsContact CD-OE1 3.23Å; K555-Q626 VanDerWaalsContact NZ-OE1 3.12Å; L622-Q626 WeakPolarHBondContact O-CG 3.24Å; L622-Q626 PolarHBondContact O-N 3.13Å; V623-Q626 PolarHBondContact O-N 3.4Å; M624-Q626 PolarHBondContact O-N 3.01Å; M624-Q626 VanDerWaalsContact O-N 3.15Å; Q626-R630 PolarHBondContact O-N 2.89Å
627L83Confident77.6Confident35 Ų3574.9 Ų74.918%0.18336%0.363CS..Hα-helixtrans-70.3-49.5165.6-69160.7000110.9M552 V623 M624 R629 R630 A631 V682M552-L627 HydrophobicContact CE-CD2 3.44Å; M552-L627 VanDerWaalsContact CE-CD2 3.44Å; M552-L627 HydrophobicContact CE-CG 3.64Å; M552-L627 HydrophobicContact SD-CD2 4.46Å; M552-L627 HydrophobicContact SD-CG 4.15Å; V623-L627 HydrophobicContact CG1-CD1 3.81Å; V623-L627 HydrophobicContact CG1-CG 4.46Å; V623-L627 PolarHBondContact O-N 3.26Å; M624-L627 HydrophobicContact CE-CD1 4.34Å; M624-L627 WeakPolarHBondContact O-CB 3.46Å; M624-L627 PolarHBondContact O-N 3.46Å; M624-L627 VanDerWaalsContact O-N 3.11Å; M624-L627 HydrophobicContact SD-CD1 3.89Å; L627-R629 VanDerWaalsContact C-N 3.27Å; L627-R629 PolarHBondContact O-N 3.04Å; L627-R630 WeakPolarHBondContact O-CB 3.29Å; L627-R630 PolarHBondContact O-N 2.73Å; L627-A631 PolarHBondContact O-N 3.26Å; L627-V682 HydrophobicContact CD1-CG1 3.68Å; L627-V682 HydrophobicContact CD2-CG1 3.86Å; L627-V682 HydrophobicContact CG-CG1 4.43Å
628E81Confident75.6Confident104 Ų10473.7 Ų73.749%0.48637%0.371SS..Hα-helixtrans-54.1-41.3178.4-73.8165.9175.300112.4M624 R625 S632M624-E628 WeakPolarHBondContact O-CB 3.22Å; M624-E628 VanDerWaalsContact O-CG 3.28Å; M624-E628 WeakPolarHBondContact O-CG 3.49Å; M624-E628 PolarHBondContact O-N 3.01Å; R625-E628 WeakPolarHBondContact CA-OE2 3.47Å; E628-S632 PolarHBondContact O-N 3.28Å; E628-S632 VanDerWaalsContact O-N 3.07Å; E628-S632 PolarHBondContact O-OG 3.43Å
629R79.5Confident73.3Confident125 Ų12575.7 Ų75.747%0.47239%0.388SS..Hα-helixtrans-64.7-47.1175.2-74.8169.9-178.7-162.9-5.2112.5R625 L627 A631 S632 E633R625-R629 WeakPolarHBondContact O-CD 3.14Å; R625-R629 VanDerWaalsContact O-CG 3.27Å; R625-R629 WeakPolarHBondContact O-CG 3.47Å; R625-R629 PolarHBondContact O-N 2.89Å; L627-R629 VanDerWaalsContact C-N 3.27Å; L627-R629 PolarHBondContact O-N 3.04Å; R629-A631 VanDerWaalsContact C-N 3.33Å; R629-A631 PolarHBondContact O-N 3.49Å; R629-S632 WeakPolarHBondContact O-CA 3.18Å; R629-S632 WeakPolarHBondContact O-CB 3.4Å; R629-S632 PolarHBondContact O-N 3.48Å; R629-E633 WeakPolarHBondContact O-CG 3.27Å; R629-E633 PolarHBondContact O-N 3.18Å
630R74.4Confident70.6Confident122 Ų12278.9 Ų78.946%0.4642%0.421SS..Hα-helixtrans-60.2-45.1179.3-175.3178.6-175.1155.48.7111.4Q626 L627 S632 E633 E634Q626-R630 PolarHBondContact O-N 2.89Å; L627-R630 WeakPolarHBondContact O-CB 3.29Å; L627-R630 PolarHBondContact O-N 2.73Å; R630-S632 PolarHBondContact O-N 2.87Å; R630-E633 PolarHBondContact O-N 2.77Å; R630-E634 VanDerWaalsContact CG-OE1 3.27Å; R630-E634 WeakPolarHBondContact CG-OE1 3.34Å; R630-E634 IonicContact CZ-OE1 2.99Å; R630-E634 IonicContact NE-OE1 2.65Å; R630-E634 PolarHBondContact NE-OE1 2.85Å; R630-E634 IonicContact NH2-OE1 3.89Å; R630-E634 WeakPolarHBondContact O-CG 3.5Å; R630-E634 PolarHBondContact O-N 3.35Å
631A71.5Confident67.9Low51 Ų5182.7 Ų82.742%0.42145%0.447SS..Hα-helixtrans-65.9-2017400000113.7L627 R629 V635L627-A631 PolarHBondContact O-N 3.26Å; R629-A631 VanDerWaalsContact C-N 3.33Å; R629-A631 PolarHBondContact O-N 3.49Å; A631-V635 VanDerWaalsContact O-CG2 3.26Å; A631-V635 WeakPolarHBondContact O-CG2 3.04Å
632S62.4Low65.2Low76 Ų7683 Ų8353%0.53146%0.46SS..Hα-helixtrans-83-40.2172.6-53.50000111.7E628 R629 R630 V635E628-S632 PolarHBondContact O-N 3.28Å; E628-S632 VanDerWaalsContact O-N 3.07Å; E628-S632 PolarHBondContact O-OG 3.43Å; R629-S632 WeakPolarHBondContact O-CA 3.18Å; R629-S632 WeakPolarHBondContact O-CB 3.4Å; R629-S632 PolarHBondContact O-N 3.48Å; R630-S632 PolarHBondContact O-N 2.87Å; S632-V635 PolarHBondContact O-N 2.94Å
633E59.3Low62.5Low119 Ų11989.2 Ų89.256%0.55649%0.493SS*.Hα-helixtrans-63.9-42.2177.9-71.3158.5-172.300111R629 R630 V635 E636R629-E633 WeakPolarHBondContact O-CG 3.27Å; R629-E633 PolarHBondContact O-N 3.18Å; R630-E633 PolarHBondContact O-N 2.77Å; E633-V635 VanDerWaalsContact C-N 3.27Å; E633-V635 PolarHBondContact O-N 3.09Å; E633-E636 PolarHBondContact O-N 3.06Å
634E55.8Low59.9Low107 Ų10797.2 Ų97.250%0.553%0.534SS..Hα-helixtrans-69.8-16.9179.2-69169.7-168.500113.5R630R630-E634 VanDerWaalsContact CG-OE1 3.27Å; R630-E634 WeakPolarHBondContact CG-OE1 3.34Å; R630-E634 IonicContact CZ-OE1 2.99Å; R630-E634 IonicContact NE-OE1 2.65Å; R630-E634 PolarHBondContact NE-OE1 2.85Å; R630-E634 IonicContact NH2-OE1 3.89Å; R630-E634 WeakPolarHBondContact O-CG 3.5Å; R630-E634 PolarHBondContact O-N 3.35Å
635V57Low57.6Low92 Ų92100.9 Ų100.956%0.55856%0.562SS**Hα-helixtrans-85.2-31.3178.6168.20000113.2A631 S632 E633 S639A631-V635 VanDerWaalsContact O-CG2 3.26Å; A631-V635 WeakPolarHBondContact O-CG2 3.04Å; S632-V635 PolarHBondContact O-N 2.94Å; E633-V635 VanDerWaalsContact C-N 3.27Å; E633-V635 PolarHBondContact O-N 3.09Å; V635-S639 WeakPolarHBondContact O-CB 3.23Å; V635-S639 PolarHBondContact O-N 3.22Å; V635-S639 PolarHBondContact O-OG 3.36Å
636E52.9Low55.2Low159 Ų159100.5 Ų100.574%0.74358%0.576SS**Hα-helixtrans-71.6-38.8175.3-70.8-167.2146.500111.6E633 A638 S639 G640E633-E636 PolarHBondContact O-N 3.06Å; E636-A638 PolarHBondContact O-N 3.09Å; E636-S639 PolarHBondContact O-N 3.4Å; E636-S639 VanDerWaalsContact O-N 3.08Å; E636-G640 PolarHBondContact O-N 3.48Å
637E50.3Low53.1Low159 Ų159108.9 Ų108.974%0.74361%0.614SS**Hα-helixtrans-67.9-35.8177.6-64.1-165.6156.200112.8S639 G640 S641E637-S639 PolarHBondContact O-N 3.35Å; E637-G640 PolarHBondContact O-N 3.37Å; E637-S641 PolarHBondContact O-OG 3.29Å
638A50.7Low51.1Low77 Ų77115.1 Ų115.164%0.63665%0.648SS**Hα-helixtrans-67.7-20171.500000113.5E636E636-A638 PolarHBondContact O-N 3.09Å
639S46.3Very low49.1Very low88 Ų88117.1 Ų117.162%0.61566%0.657SS**Hα-helixtrans-93.6-21.8179.4-57.30000113.3V635 E636 E637V635-S639 WeakPolarHBondContact O-CB 3.23Å; V635-S639 PolarHBondContact O-N 3.22Å; V635-S639 PolarHBondContact O-OG 3.36Å; E636-S639 PolarHBondContact O-N 3.4Å; E636-S639 VanDerWaalsContact O-N 3.08Å; E637-S639 PolarHBondContact O-N 3.35Å
640G39.8Very low47Very low67 Ų67121.5 Ų121.569%0.69167%0.674SS**SBendtrans-87.6-1.4-177.600000116E636 E637E636-G640 PolarHBondContact O-N 3.48Å; E637-G640 PolarHBondContact O-N 3.37Å
641S35.3Very low45.4Very low88 Ų88121.4 Ų121.462%0.61569%0.687SS**  trans-109.129.1-163.638.30000115E637E637-S641 PolarHBondContact O-OG 3.29Å
642S34.2Very low43.7Very low103 Ų103126.7 Ų126.772%0.7271%0.708SS**  trans-109.539.5-179.159.50000115
643N34.9Very low42.4Very low154 Ų154126.6 Ų126.682%0.82472%0.719SS**  trans-125.579.7170.8-87.8-47.2000111.1
644I36.9Very low41.2Very low168 Ų168127.4 Ų127.486%0.86274%0.735SS**  trans-117.5103.4157.598.8174.5000108.4
645S36.7Very low40.2Very low99 Ų99127.6 Ų127.669%0.69275%0.748SS**  trans-112.8114156.656.80000104.7
646S34.9Very low39.1Very low97 Ų97128 Ų12868%0.67876%0.76SS**  79.1133.994.6-61.40000111
647E38.8Very low38.2Very low196 Ų196125.4 Ų125.492%0.91676%0.76SS**  trans66.6119.9-169.6-58.2152.799.500111.2
648D40.7Very low37.1Very low167 Ų167123.9 Ų123.989%0.89376%0.762SS**  cis-131.4169.938.9-146.8-23.3000114.3
649Q39.2Very low36.4Very low145 Ų145127.1 Ų127.168%0.67877%0.773SS**  trans-132.5120.8-165.3-176.8-161.299.700111.5
650R35.4Very low35.5Very low218 Ų218127.4 Ų127.482%0.82378%0.775SS**  trans160.2164.6137.3-85.5152.2-169.8-142.62.4114.6
651V40.6Very low34.9Very low120 Ų120129.3 Ų129.373%0.72778%0.778SS**  trans80.680.7161.5-155.90000119
652N36.3Very low34.8Very low161 Ų161131.5 Ų131.586%0.86179%0.787SS**  trans64.4119.1131.8-53.8-9.1000122
653G33.8Very low34.5Very low75 Ų75131.4 Ų131.477%0.77379%0.786SS**  trans153.283.1147.100000117.1
654P34.8Very low34.1Very low135 Ų135132 Ų13288%0.87779%0.789SS**  trans-102.7119.1-17935.3-28.9000115
655S35.2Very low33.8Very low111 Ų111129.3 Ų129.378%0.77679%0.785SS**  trans-157.2105.4158.656.80000108.4
656A33.6Very low33.4Very low100 Ų100131 Ų13183%0.82679%0.792SS**  68.9128.793.100000113.7
657S33.2Very low33.3Very low105 Ų105132.1 Ų132.173%0.73480%0.8SS**  cis-162.4152-2.3540000113.2
658T28.9Very low33Very low128 Ų128132.2 Ų132.279%0.78580%0.797SS**  trans8.1118.8149.7-46.10000119.3
659V34.3Very low32.6Very low144 Ų144131 Ų13187%0.87380%0.796SS**  trans-139.8139.4144.2-168.20000108.6
660S28.8Very low32.2Very low94 Ų94132.4 Ų132.466%0.65781%0.808SS**  trans-144.9159.9176.458.60000111.5
661S26.9Very low32.1Very low108 Ų108125.8 Ų125.876%0.75581%0.807SS**  trans69.1177.7177.481.50000117
662V31.9Very low31.6Very low133 Ų133123.7 Ų123.781%0.80681%0.81SS**  trans74.6123.4-176.5-169.90000113.1
663C29.5Very low31.3Very low102 Ų102120.1 Ų120.169%0.68981%0.811SS**  cis-154.4151.4148.60000113.7
664N25.4Very low31.5Very low165 Ų165124 Ų12488%0.88282%0.815SS**  trans-74.6143.6150.4-92.2-25.4000109.9
665S31.3Very low31.9Very low113 Ų113125.5 Ų125.579%0.7982%0.815SS**  trans-162.4115.8158.7-85.70000112.8
666T27.1Very low32.1Very low134 Ų134122.1 Ų122.182%0.82280%0.798SS**  trans-77.3146.2175.6-45.90000111.4
667S33.7Very low32.4Very low121 Ų121121.5 Ų121.585%0.84677%0.774SS**  trans-149.7123162.9-83.60000112.7
668K31.8Very low32.8Very low198 Ų198123.7 Ų123.786%0.86178%0.775SS**  trans-85.9145.2176-62.2173.3180173.40110.1
669T33.2Very low33.5Very low141 Ų141120.4 Ų120.487%0.86575%0.748SS**  trans-132.6138157.457.20000110.8
670N31.4Very low34.2Very low174 Ų174116.8 Ų116.893%0.9373%0.727SS**  trans-96.1131.7176.5-86.9-28.3000109.7
671G32.5Very low34.8Very low79 Ų79117.4 Ų117.481%0.81472%0.723SS**  trans-15667.5-169.200000117.1
672G30.4Very low36Very low77 Ų77113.7 Ų113.779%0.79470%0.696SS**  trans55.680.6144.200000120.1
673G30.2Very low36.7Very low85 Ų85111 Ų11188%0.87669%0.688SS**  trans40.979.5140.200000119.3
674N38.4Very low37.5Very low158 Ų158114.4 Ų114.485%0.84569%0.694SS**  trans-145133.8160.7-139.7-22.5000110.3G676N674-G676 PolarHBondContact O-N 3.02Å
675N41.8Very low39.3Very low165 Ų165107.8 Ų107.888%0.88266%0.658SS**  trans-82.344.8-171.6-70.2-33.5000113.1
676G39.7Very low40.9Very low41 Ų41107 Ų10742%0.42365%0.645SS.*  trans-74.9134.2174.700000111.5N674 M678N674-G676 PolarHBondContact O-N 3.02Å; G676-M678 PolarHBondContact O-N 3.37Å
677W40.7Very low42.6Very low86 Ų86104.1 Ų104.133%0.32663%0.63SS.*BIsolated β-bridgetrans-8290.6164.1-87.965.3000108S547 K616 I697S547-W677 PolarHBondContact N-O 3.22Å; K616-W677 VanDerWaalsContact NZ-CD1 3.27Å; W677-I697 HydrophobicContact CH2-CG2 4.46Å; W677-I697 HydrophobicContact CZ3-CG2 4.22Å
678M40.2Very low44.3Very low152 Ų152102.9 Ų102.975%0.74961%0.611SS**PPolyproline II helixtrans-85.9138.9163.1-69174.561.300108.8G676G676-M678 PolarHBondContact O-N 3.37Å
679W43.7Very low46.2Very low59 Ų5998.1 Ų98.122%0.22359%0.592CS.*PPolyproline II helixtrans-73.2156.3161.5-59.790.6000109S547 M624 V682 I697S547-W679 VanDerWaalsContact O-CD1 3.26Å; S547-W679 PolarHBondContact O-NE1 3.46Å; M624-W679 HydrophobicContact CG-CH2 4.08Å; M624-W679 HydrophobicContact CG-CZ3 4.43Å; M624-W679 HydrophobicContact SD-CE3 4.46Å; M624-W679 HydrophobicContact SD-CH2 3.86Å; M624-W679 HydrophobicContact SD-CZ3 3.71Å; W679-V682 HydrophobicContact CB-CG2 3.74Å; W679-V682 HydrophobicContact CG-CG2 4.35Å; W679-I697 HydrophobicContact CZ3-CD1 4.24Å
680P48.6Very low47.7Very low67 Ų6792.3 Ų92.344%0.43556%0.558SS.*PPolyproline II helixtrans-53.2165.3154.7-2134.1000110.7V682 V693P680-V682 VanDerWaalsContact C-N 3.28Å; P680-V682 WeakPolarHBondContact O-CG2 3.5Å; P680-V682 PolarHBondContact O-N 3.18Å; P680-V693 HydrophobicContact CG-CG1 4.26Å
681D42.5Very low49.6Very low107 Ų10792.4 Ų92.457%0.57255%0.545SS*.  trans-70.579.9-175.3-125.6-49000111.6N587 A683 Q684N587-D681 PolarHBondContact ND2-OD1 3.14Å; D681-A683 PolarHBondContact O-N 3.1Å; D681-Q684 PolarHBondContact O-N 3.3Å; D681-Q684 VanDerWaalsContact O-N 3.13Å
682V52.4Low51.6Low30 Ų3092.6 Ų92.618%0.18253%0.525CS..G310 helixtrans-60.2-21.9-167.7-167.10000113L627 W679 P680 Q684 M685L627-V682 HydrophobicContact CD1-CG1 3.68Å; L627-V682 HydrophobicContact CD2-CG1 3.86Å; L627-V682 HydrophobicContact CG-CG1 4.43Å; W679-V682 HydrophobicContact CB-CG2 3.74Å; W679-V682 HydrophobicContact CG-CG2 4.35Å; P680-V682 VanDerWaalsContact C-N 3.28Å; P680-V682 WeakPolarHBondContact O-CG2 3.5Å; P680-V682 PolarHBondContact O-N 3.18Å; V682-Q684 PolarHBondContact O-N 2.84Å; V682-Q684 VanDerWaalsContact O-N 3.12Å; V682-M685 HydrophobicContact CB-CE 4.37Å; V682-M685 HydrophobicContact CG1-CE 3.9Å; V682-M685 HydrophobicContact CG2-CE 4.23Å; V682-M685 PolarHBondContact O-N 3.23Å
683A45.5Very low53.4Low77 Ų7789.7 Ų89.764%0.63649%0.492SS*.G310 helixtrans-66.1-7.6178.200000114.6D681D681-A683 PolarHBondContact O-N 3.1Å
684Q47.3Very low55Low173 Ų17388 Ų8881%0.80846%0.463SS*.G310 helixtrans-125.12.8175.6-63.2-169.7-37.600113.8D681 V682D681-Q684 PolarHBondContact O-N 3.3Å; D681-Q684 VanDerWaalsContact O-N 3.13Å; V682-Q684 PolarHBondContact O-N 2.84Å; V682-Q684 VanDerWaalsContact O-N 3.12Å
685M62Low56.5Low27 Ų2785.4 Ų85.413%0.13345%0.448CS..  trans-91.2119.4-171.1-174.316757.100111.1V682 E689 A690 V693V682-M685 HydrophobicContact CB-CE 4.37Å; V682-M685 HydrophobicContact CG1-CE 3.9Å; V682-M685 HydrophobicContact CG2-CE 4.23Å; V682-M685 PolarHBondContact O-N 3.23Å; M685-E689 HydrophobicContact CG-CB 3.74Å; M685-E689 HydrophobicContact CG-CG 3.73Å; M685-E689 HydrophobicContact SD-CB 4.48Å; M685-E689 HydrophobicContact SD-CG 4Å; M685-A690 HydrophobicContact CE-CB 3.9Å; M685-A690 HydrophobicContact CG-CB 4.16Å; M685-A690 HydrophobicContact SD-CB 4.35Å; M685-V693 HydrophobicContact SD-CB 4.1Å; M685-V693 HydrophobicContact SD-CG2 3.68Å
686D65.4Low58Low96 Ų9683.7 Ų83.751%0.51343%0.43SS..  trans-63.4155.8176.7169.155.4000112.2Q688 E689 A690D686-Q688 PolarHBondContact O-N 3.12Å; D686-Q688 VanDerWaalsContact OD2-CB 3.3Å; D686-Q688 WeakPolarHBondContact OD2-CB 3.46Å; D686-Q688 PolarHBondContact OD2-N 3.01Å; D686-E689 PolarHBondContact O-N 2.75Å; D686-E689 VanDerWaalsContact O-N 3.13Å; D686-A690 VanDerWaalsContact O-CB 3.28Å; D686-A690 WeakPolarHBondContact O-CB 3.48Å; D686-A690 PolarHBondContact O-N 3.42Å
687S63.5Low59.4Low73 Ų7383.8 Ų83.851%0.5142%0.42SS..Hα-helixtrans-45.3-38.5172.465.50000115.1R691S687-R691 VanDerWaalsContact O-CG 3.3Å; S687-R691 WeakPolarHBondContact O-CG 3.29Å; S687-R691 PolarHBondContact O-N 2.86Å
688Q69.2Low60.9Low95 Ų9582.2 Ų82.244%0.44442%0.418SS..Hα-helixtrans-76.7-45.8177.1176.456.124.300111.6D686 A690 R691 E692D686-Q688 PolarHBondContact O-N 3.12Å; D686-Q688 VanDerWaalsContact OD2-CB 3.3Å; D686-Q688 WeakPolarHBondContact OD2-CB 3.46Å; D686-Q688 PolarHBondContact OD2-N 3.01Å; Q688-A690 VanDerWaalsContact C-N 3.28Å; Q688-A690 PolarHBondContact O-N 3.34Å; Q688-R691 WeakPolarHBondContact O-CB 3.42Å; Q688-R691 PolarHBondContact O-N 2.83Å; Q688-R691 VanDerWaalsContact O-N 3.17Å; Q688-E692 PolarHBondContact NE2-OE1 3.41Å; Q688-E692 PolarHBondContact O-N 2.81Å
689E72.4Confident62.5Low99 Ų9978.7 Ų78.746%0.46340%0.404SS..Hα-helixtrans-61.5-39.6175.9-172.4-176.4-173.800111.1M685 D686 R691 E692 V693M685-E689 HydrophobicContact CG-CB 3.74Å; M685-E689 HydrophobicContact CG-CG 3.73Å; M685-E689 HydrophobicContact SD-CB 4.48Å; M685-E689 HydrophobicContact SD-CG 4Å; D686-E689 PolarHBondContact O-N 2.75Å; D686-E689 VanDerWaalsContact O-N 3.13Å; E689-R691 VanDerWaalsContact C-N 3.34Å; E689-R691 PolarHBondContact O-N 2.84Å; E689-E692 PolarHBondContact O-N 2.96Å; E689-V693 WeakPolarHBondContact O-CB 3.41Å; E689-V693 WeakPolarHBondContact O-CG2 3.46Å; E689-V693 PolarHBondContact O-N 3.03Å
690A64.8Low63.7Low19 Ų1980.1 Ų80.116%0.15741%0.414CS..Hα-helixtrans-61.2-39.7175.400000112.4M685 D686 Q688 L694M685-A690 HydrophobicContact CE-CB 3.9Å; M685-A690 HydrophobicContact CG-CB 4.16Å; M685-A690 HydrophobicContact SD-CB 4.35Å; D686-A690 VanDerWaalsContact O-CB 3.28Å; D686-A690 WeakPolarHBondContact O-CB 3.48Å; D686-A690 PolarHBondContact O-N 3.42Å; Q688-A690 VanDerWaalsContact C-N 3.28Å; Q688-A690 PolarHBondContact O-N 3.34Å; A690-L694 WeakPolarHBondContact O-CB 3.5Å; A690-L694 PolarHBondContact O-N 2.75Å
691R71.1Confident64.3Low175 Ų17578.5 Ų78.566%0.6640%0.404SS*.Hα-helixtrans-64.1-44.9173.1-78.1170175.2-177.61.1111.8S687 Q688 E689 L694 D695S687-R691 VanDerWaalsContact O-CG 3.3Å; S687-R691 WeakPolarHBondContact O-CG 3.29Å; S687-R691 PolarHBondContact O-N 2.86Å; Q688-R691 WeakPolarHBondContact O-CB 3.42Å; Q688-R691 PolarHBondContact O-N 2.83Å; Q688-R691 VanDerWaalsContact O-N 3.17Å; E689-R691 VanDerWaalsContact C-N 3.34Å; E689-R691 PolarHBondContact O-N 2.84Å; R691-L694 VanDerWaalsContact O-CB 3.23Å; R691-L694 WeakPolarHBondContact O-CB 3.45Å; R691-L694 PolarHBondContact O-N 3.37Å; R691-D695 PolarHBondContact O-N 2.66Å
692E73.1Confident65.7Low83 Ų8379.6 Ų79.639%0.38840%0.403SS..Hα-helixtrans-66.9-39.1177.7-66.6-178.5-162.700112.8Q688 E689 L694 D695 R696Q688-E692 PolarHBondContact NE2-OE1 3.41Å; Q688-E692 PolarHBondContact O-N 2.81Å; E689-E692 PolarHBondContact O-N 2.96Å; E692-L694 VanDerWaalsContact C-N 3.3Å; E692-D695 PolarHBondContact O-N 3.14Å; E692-R696 WeakPolarHBondContact O-CB 3.18Å; E692-R696 VanDerWaalsContact O-CG 3.24Å; E692-R696 WeakPolarHBondContact O-CG 3.41Å; E692-R696 PolarHBondContact O-N 3Å; E692-R696 PolarHBondContact O-NE 3.44Å; E692-R696 IonicContact OE2-CZ 2.79Å; E692-R696 IonicContact OE2-NH1 2.62Å; E692-R696 PolarHBondContact OE2-NH1 2.99Å; E692-R696 IonicContact OE2-NH2 2.76Å
693V68Low66.5Low17 Ų1782.6 Ų82.610%0.10342%0.418CS..Hα-helixtrans-61.2-41.4171.61680000110.3P680 M685 E689 R696 I697P680-V693 HydrophobicContact CG-CG1 4.26Å; M685-V693 HydrophobicContact SD-CB 4.1Å; M685-V693 HydrophobicContact SD-CG2 3.68Å; E689-V693 WeakPolarHBondContact O-CB 3.41Å; E689-V693 WeakPolarHBondContact O-CG2 3.46Å; E689-V693 PolarHBondContact O-N 3.03Å; V693-R696 PolarHBondContact O-N 2.97Å; V693-I697 HydrophobicContact CG1-CD1 3.66Å; V693-I697 HydrophobicContact CG1-CG1 4.41Å; V693-I697 WeakPolarHBondContact O-CB 3.14Å; V693-I697 VanDerWaalsContact O-CG1 3.22Å; V693-I697 WeakPolarHBondContact O-CG1 3.24Å; V693-I697 PolarHBondContact O-N 2.66Å
694L64.4Low67.7Low50 Ų5084.8 Ų84.826%0.26241%0.414SS..Hα-helixtrans-56.9-49.1172.8-114.9168.2000111.8M624 A690 R691 E692 I697 L698M624-L694 HydrophobicContact CE-CD1 3.84Å; M624-L694 HydrophobicContact CE-CG 4.19Å; A690-L694 WeakPolarHBondContact O-CB 3.5Å; A690-L694 PolarHBondContact O-N 2.75Å; R691-L694 VanDerWaalsContact O-CB 3.23Å; R691-L694 WeakPolarHBondContact O-CB 3.45Å; R691-L694 PolarHBondContact O-N 3.37Å; E692-L694 VanDerWaalsContact C-N 3.3Å; L694-I697 PolarHBondContact O-N 2.92Å; L694-L698 HydrophobicContact CD2-CD1 4.06Å; L694-L698 HydrophobicContact CD2-CG 4.34Å; L694-L698 WeakPolarHBondContact O-CB 3.31Å; L694-L698 VanDerWaalsContact O-CG 3.26Å; L694-L698 WeakPolarHBondContact O-CG 3.4Å; L694-L698 PolarHBondContact O-N 3.4Å
695D70.7Confident68.6Low102 Ų10281.1 Ų81.155%0.54540%0.403SS..Hα-helixtrans-70.1-38.7-178.2-1206.1000112.2R691 E692 I697 L698 V699R691-D695 PolarHBondContact O-N 2.66Å; E692-D695 PolarHBondContact O-N 3.14Å; D695-I697 VanDerWaalsContact C-N 3.34Å; D695-I697 PolarHBondContact O-N 3.48Å; D695-L698 PolarHBondContact O-N 3.42Å; D695-V699 WeakPolarHBondContact O-CB 3.46Å; D695-V699 VanDerWaalsContact O-CG2 3.31Å; D695-V699 WeakPolarHBondContact O-CG2 3.37Å; D695-V699 PolarHBondContact O-N 3Å
696R72.8Confident68.9Low129 Ų12987.2 Ų87.249%0.48743%0.425SS..Hα-helixtrans-56.9-45.6170.1-73.3-176.9-75.5-106.27111.2E692 V693 V699 E700E692-R696 WeakPolarHBondContact O-CB 3.18Å; E692-R696 VanDerWaalsContact O-CG 3.24Å; E692-R696 WeakPolarHBondContact O-CG 3.41Å; E692-R696 PolarHBondContact O-N 3Å; E692-R696 PolarHBondContact O-NE 3.44Å; E692-R696 IonicContact OE2-CZ 2.79Å; E692-R696 IonicContact OE2-NH1 2.62Å; E692-R696 PolarHBondContact OE2-NH1 2.99Å; E692-R696 IonicContact OE2-NH2 2.76Å; V693-R696 PolarHBondContact O-N 2.97Å; R696-V699 PolarHBondContact O-N 2.93Å; R696-E700 PolarHBondContact O-N 3.2Å
697I68.3Low68.8Low44 Ų4491.3 Ų91.323%0.22643%0.433CS..Hα-helixtrans-68.7-39.1177-70.1168.6000111.8W677 W679 V693 L694 D695 E700 S701W677-I697 HydrophobicContact CH2-CG2 4.46Å; W677-I697 HydrophobicContact CZ3-CG2 4.22Å; W679-I697 HydrophobicContact CZ3-CD1 4.24Å; V693-I697 HydrophobicContact CG1-CD1 3.66Å; V693-I697 HydrophobicContact CG1-CG1 4.41Å; V693-I697 WeakPolarHBondContact O-CB 3.14Å; V693-I697 VanDerWaalsContact O-CG1 3.22Å; V693-I697 WeakPolarHBondContact O-CG1 3.24Å; V693-I697 PolarHBondContact O-N 2.66Å; L694-I697 PolarHBondContact O-N 2.92Å; D695-I697 VanDerWaalsContact C-N 3.34Å; D695-I697 PolarHBondContact O-N 3.48Å; I697-E700 PolarHBondContact O-N 3.39Å; I697-S701 VanDerWaalsContact O-CB 3.23Å; I697-S701 WeakPolarHBondContact O-CB 3.44Å; I697-S701 PolarHBondContact O-N 3.27Å; I697-S701 PolarHBondContact O-OG 2.86Å
698L72.4Confident68.8Low53 Ų5389.9 Ų89.928%0.27743%0.425SS..Hα-helixtrans-67.2-36.5176.7-75.2169.4000111.6L694 D695 S701 K702L694-L698 HydrophobicContact CD2-CD1 4.06Å; L694-L698 HydrophobicContact CD2-CG 4.34Å; L694-L698 WeakPolarHBondContact O-CB 3.31Å; L694-L698 VanDerWaalsContact O-CG 3.26Å; L694-L698 WeakPolarHBondContact O-CG 3.4Å; L694-L698 PolarHBondContact O-N 3.4Å; D695-L698 PolarHBondContact O-N 3.42Å; L698-S701 WeakPolarHBondContact CA-OG 3.45Å; L698-S701 PolarHBondContact O-OG 3.2Å; L698-K702 VanDerWaalsContact O-CB 3.25Å; L698-K702 WeakPolarHBondContact O-CB 3.31Å; L698-K702 VanDerWaalsContact O-CD 3.25Å; L698-K702 WeakPolarHBondContact O-CD 3.44Å; L698-K702 WeakPolarHBondContact O-CG 3.31Å; L698-K702 PolarHBondContact O-N 3.48Å
699V73.4Confident68.8Low77 Ų7792.5 Ų92.547%0.46744%0.435SS..Hα-helixtrans-69-47.5172.5170.10000111.1D695 R696 S701 K702 N703D695-V699 WeakPolarHBondContact O-CB 3.46Å; D695-V699 VanDerWaalsContact O-CG2 3.31Å; D695-V699 WeakPolarHBondContact O-CG2 3.37Å; D695-V699 PolarHBondContact O-N 3Å; R696-V699 PolarHBondContact O-N 2.93Å; V699-S701 PolarHBondContact O-N 3.42Å; V699-K702 PolarHBondContact O-N 3.35Å; V699-N703 WeakPolarHBondContact O-CB 3.35Å; V699-N703 VanDerWaalsContact O-CG 3.31Å; V699-N703 PolarHBondContact O-N 3.23Å; V699-N703 PolarHBondContact O-ND2 3.15Å
700E69.9Low68.2Low90 Ų9092 Ų9242%0.42143%0.433SS..Hα-helixtrans-63.7-44.6179.4-157.1-145.4133.800111.7R696 I697 N703 K704R696-E700 PolarHBondContact O-N 3.2Å; I697-E700 PolarHBondContact O-N 3.39Å; E700-N703 CarbonylContact O-C 3.06Å; E700-N703 PolarHBondContact O-N 2.93Å; E700-N703 VanDerWaalsContact O-N 3.17Å; E700-K704 WeakPolarHBondContact O-CB 3.17Å; E700-K704 PolarHBondContact O-N 2.96Å; E700-K704 WeakPolarHBondContact OE1-CE 3.3Å; E700-K704 IonicContact OE1-NZ 3.2Å; E700-K704 PolarHBondContact OE1-NZ 3.48Å
701S61.6Low68Low32 Ų3296.3 Ų96.322%0.22445%0.453CS..Hα-helixtrans-66.8-37.7178.959.50000112.8I697 L698 V699 T705I697-S701 VanDerWaalsContact O-CB 3.23Å; I697-S701 WeakPolarHBondContact O-CB 3.44Å; I697-S701 PolarHBondContact O-N 3.27Å; I697-S701 PolarHBondContact O-OG 2.86Å; L698-S701 WeakPolarHBondContact CA-OG 3.45Å; L698-S701 PolarHBondContact O-OG 3.2Å; V699-S701 PolarHBondContact O-N 3.42Å; S701-T705 VanDerWaalsContact O-CB 3.28Å; S701-T705 WeakPolarHBondContact O-CB 3.44Å; S701-T705 PolarHBondContact O-N 3.4Å; S701-T705 PolarHBondContact O-OG1 3.23Å
702K70.9Confident67.3Low130 Ų13089.3 Ų89.357%0.56543%0.433SS*.Hα-helixtrans-59.9-45.1168.7-77166.2-170.7164.50111L698 V699 T705 R706L698-K702 VanDerWaalsContact O-CB 3.25Å; L698-K702 WeakPolarHBondContact O-CB 3.31Å; L698-K702 VanDerWaalsContact O-CD 3.25Å; L698-K702 WeakPolarHBondContact O-CD 3.44Å; L698-K702 WeakPolarHBondContact O-CG 3.31Å; L698-K702 PolarHBondContact O-N 3.48Å; V699-K702 PolarHBondContact O-N 3.35Å; K702-T705 PolarHBondContact O-N 3.29Å; K702-R706 VanDerWaalsContact O-CB 3.27Å; K702-R706 WeakPolarHBondContact O-CB 3.45Å; K702-R706 PolarHBondContact O-N 3.33Å
703N69.1Low66.4Low93 Ų9389.7 Ų89.750%0.49744%0.44SS..Hα-helixtrans-66.5-42.1178.8-74.6-24.4000112.8V699 E700 R706 R707V699-N703 WeakPolarHBondContact O-CB 3.35Å; V699-N703 VanDerWaalsContact O-CG 3.31Å; V699-N703 PolarHBondContact O-N 3.23Å; V699-N703 PolarHBondContact O-ND2 3.15Å; E700-N703 CarbonylContact O-C 3.06Å; E700-N703 PolarHBondContact O-N 2.93Å; E700-N703 VanDerWaalsContact O-N 3.17Å; N703-R706 PolarHBondContact O-N 2.91Å; N703-R707 WeakPolarHBondContact O-CB 3.25Å; N703-R707 PolarHBondContact O-N 2.8Å
704K70.6Confident65.5Low124 Ų12494.6 Ų94.654%0.53947%0.47SS..Hα-helixtrans-62.8-44.7174.7-121.7164-170.2152.20111.4E700 R707 A708E700-K704 WeakPolarHBondContact O-CB 3.17Å; E700-K704 PolarHBondContact O-N 2.96Å; E700-K704 WeakPolarHBondContact OE1-CE 3.3Å; E700-K704 IonicContact OE1-NZ 3.2Å; E700-K704 PolarHBondContact OE1-NZ 3.48Å; K704-R707 PolarHBondContact O-N 3.34Å; K704-A708 WeakPolarHBondContact O-CB 3.46Å; K704-A708 PolarHBondContact O-N 2.89Å
705T68Low64.5Low96 Ų9697 Ų9759%0.58949%0.491SS*.Hα-helixtrans-65.4-42.2177-54.80000111.5S701 K702 A708 K709S701-T705 VanDerWaalsContact O-CB 3.28Å; S701-T705 WeakPolarHBondContact O-CB 3.44Å; S701-T705 PolarHBondContact O-N 3.4Å; S701-T705 PolarHBondContact O-OG1 3.23Å; K702-T705 PolarHBondContact O-N 3.29Å; T705-A708 PolarHBondContact O-N 3.13Å; T705-K709 WeakPolarHBondContact O-CB 3.31Å; T705-K709 PolarHBondContact O-N 2.81Å
706R68Low63.1Low155 Ų15597.1 Ų97.159%0.58550%0.496SS*.Hα-helixtrans-59.3-49.9173.2177.9-179.9168.5-166.5-9111K702 N703 A708 K709 E710K702-R706 VanDerWaalsContact O-CB 3.27Å; K702-R706 WeakPolarHBondContact O-CB 3.45Å; K702-R706 PolarHBondContact O-N 3.33Å; N703-R706 PolarHBondContact O-N 2.91Å; R706-A708 VanDerWaalsContact C-N 3.34Å; R706-A708 PolarHBondContact O-N 3.31Å; R706-K709 CarbonylContact O-C 3.16Å; R706-K709 PolarHBondContact O-N 3.32Å; R706-K709 VanDerWaalsContact O-N 3.09Å; R706-E710 HydrophobicContact CG-CG 4.35Å; R706-E710 IonicContact CZ-OE1 2.73Å; R706-E710 IonicContact NE-OE1 3.19Å; R706-E710 PolarHBondContact NE-OE1 3.49Å; R706-E710 IonicContact NE-OE2 3.95Å; R706-E710 IonicContact NH2-OE1 3.67Å; R706-E710 PolarHBondContact NH2-OE1 3.45Å; R706-E710 WeakPolarHBondContact O-CG 3.33Å; R706-E710 PolarHBondContact O-N 3.44Å
707R62.6Low61.1Low182 Ų18293.5 Ų93.569%0.68750%0.499SS*.Hα-helixtrans-61.3-41.4179.6-158.9178.5-158175.46.7111.9N703 K704 K709 E710 L711N703-R707 WeakPolarHBondContact O-CB 3.25Å; N703-R707 PolarHBondContact O-N 2.8Å; K704-R707 PolarHBondContact O-N 3.34Å; R707-K709 VanDerWaalsContact C-N 3.34Å; R707-K709 PolarHBondContact O-N 2.84Å; R707-E710 PolarHBondContact O-N 2.81Å; R707-L711 HydrophobicContact CG-CD1 4.39Å; R707-L711 WeakPolarHBondContact O-CB 3.24Å; R707-L711 VanDerWaalsContact O-CG 3.24Å; R707-L711 WeakPolarHBondContact O-CG 3.33Å; R707-L711 PolarHBondContact O-N 2.9Å
708A64.2Low59.5Low42 Ų4297.5 Ų97.535%0.34753%0.528SS..Hα-helixtrans-64.3-36.4174.100000112.6K704 T705 R706 A712K704-A708 WeakPolarHBondContact O-CB 3.46Å; K704-A708 PolarHBondContact O-N 2.89Å; T705-A708 PolarHBondContact O-N 3.13Å; R706-A708 VanDerWaalsContact C-N 3.34Å; R706-A708 PolarHBondContact O-N 3.31Å; A708-A712 WeakPolarHBondContact O-CB 3.47Å; A708-A712 PolarHBondContact O-N 3.2Å
709K67.9Low57.5Low151 Ų15199.4 Ų99.466%0.65755%0.551SS**Hα-helixtrans-73.4-38.6176.3-166.5176.7-177.2-177.60112.5T705 R706 R707 A712 V713T705-K709 WeakPolarHBondContact O-CB 3.31Å; T705-K709 PolarHBondContact O-N 2.81Å; R706-K709 CarbonylContact O-C 3.16Å; R706-K709 PolarHBondContact O-N 3.32Å; R706-K709 VanDerWaalsContact O-N 3.09Å; R707-K709 VanDerWaalsContact C-N 3.34Å; R707-K709 PolarHBondContact O-N 2.84Å; K709-A712 PolarHBondContact O-N 2.99Å; K709-V713 WeakPolarHBondContact O-CB 3.3Å; K709-V713 VanDerWaalsContact O-CG2 3.3Å; K709-V713 WeakPolarHBondContact O-CG2 3.23Å; K709-V713 PolarHBondContact O-N 2.86Å
710E60.2Low55.7Low88 Ų88101.4 Ų101.441%0.41157%0.568SS.*Hα-helixtrans-64.3-44.3173-73.9171.3160.800110.7R706 R707 A712 V713 V714R706-E710 HydrophobicContact CG-CG 4.35Å; R706-E710 IonicContact CZ-OE1 2.73Å; R706-E710 IonicContact NE-OE1 3.19Å; R706-E710 PolarHBondContact NE-OE1 3.49Å; R706-E710 IonicContact NE-OE2 3.95Å; R706-E710 IonicContact NH2-OE1 3.67Å; R706-E710 PolarHBondContact NH2-OE1 3.45Å; R706-E710 WeakPolarHBondContact O-CG 3.33Å; R706-E710 PolarHBondContact O-N 3.44Å; R707-E710 PolarHBondContact O-N 2.81Å; E710-A712 PolarHBondContact O-N 3.16Å; E710-V713 PolarHBondContact O-N 2.82Å; E710-V714 WeakPolarHBondContact O-CB 3.48Å; E710-V714 WeakPolarHBondContact O-CG2 3.42Å; E710-V714 PolarHBondContact O-N 3.5Å
711L60.9Low54Low109 Ų109103.6 Ų103.657%0.57159%0.588SS**Hα-helixtrans-64.6-36.7174.1-71.2168.4000113R707 S715R707-L711 HydrophobicContact CG-CD1 4.39Å; R707-L711 WeakPolarHBondContact O-CB 3.24Å; R707-L711 VanDerWaalsContact O-CG 3.24Å; R707-L711 WeakPolarHBondContact O-CG 3.33Å; R707-L711 PolarHBondContact O-N 2.9Å; L711-S715 WeakPolarHBondContact O-CB 3.48Å; L711-S715 PolarHBondContact O-N 3.16Å; L711-S715 PolarHBondContact O-OG 3.37Å
712A56.7Low52.6Low29 Ų29107.2 Ų107.224%0.2461%0.613CS.*Hα-helixtrans-64.2-46171.800000111.9A708 K709 E710 V714 S715 T716A708-A712 WeakPolarHBondContact O-CB 3.47Å; A708-A712 PolarHBondContact O-N 3.2Å; K709-A712 PolarHBondContact O-N 2.99Å; E710-A712 PolarHBondContact O-N 3.16Å; A712-V714 PolarHBondContact O-N 3.44Å; A712-S715 CarbonylContact O-C 3.56Å; A712-S715 WeakPolarHBondContact O-CA 3.39Å; A712-S715 WeakPolarHBondContact O-CB 3.31Å; A712-S715 PolarHBondContact O-N 3.03Å; A712-S715 VanDerWaalsContact O-N 3.07Å; A712-T716 PolarHBondContact O-N 2.91Å; A712-T716 PolarHBondContact O-OG1 3.2Å
713V53.7Low50.8Low90 Ų90106.9 Ų106.955%0.54562%0.622SS.*Hα-helixtrans-65.1-37.3178.4168.30000112K709 E710 S715 T716K709-V713 WeakPolarHBondContact O-CB 3.3Å; K709-V713 VanDerWaalsContact O-CG2 3.3Å; K709-V713 WeakPolarHBondContact O-CG2 3.23Å; K709-V713 PolarHBondContact O-N 2.86Å; E710-V713 PolarHBondContact O-N 2.82Å; V713-S715 VanDerWaalsContact C-N 3.29Å; V713-S715 PolarHBondContact O-N 2.91Å; V713-T716 CarbonylContact O-C 3.53Å; V713-T716 VanDerWaalsContact O-C 3.24Å; V713-T716 PolarHBondContact O-N 3.3Å
714V48.7Very low48.8Very low120 Ų120107.7 Ų107.773%0.72763%0.634SS**Hα-helixtrans-67.9-29.2172.4170.80000111.9E710 A712 T716E710-V714 WeakPolarHBondContact O-CB 3.48Å; E710-V714 WeakPolarHBondContact O-CG2 3.42Å; E710-V714 PolarHBondContact O-N 3.5Å; A712-V714 PolarHBondContact O-N 3.44Å; V714-T716 VanDerWaalsContact C-N 3.31Å
715S44.2Very low46.9Very low102 Ų102106.2 Ų106.271%0.71364%0.639SS**Hα-helixtrans-78.4-12.6173.8-540000113.5L711 A712 V713L711-S715 WeakPolarHBondContact O-CB 3.48Å; L711-S715 PolarHBondContact O-N 3.16Å; L711-S715 PolarHBondContact O-OG 3.37Å; A712-S715 CarbonylContact O-C 3.56Å; A712-S715 WeakPolarHBondContact O-CA 3.39Å; A712-S715 WeakPolarHBondContact O-CB 3.31Å; A712-S715 PolarHBondContact O-N 3.03Å; A712-S715 VanDerWaalsContact O-N 3.07Å; V713-S715 VanDerWaalsContact C-N 3.29Å; V713-S715 PolarHBondContact O-N 2.91Å
716T40.8Very low44.9Very low103 Ų103109 Ų10963%0.63265%0.648SS**THydrogen-bonded Turntrans-124.663.5174.3640000110.6A712 V713 V714A712-T716 PolarHBondContact O-N 2.91Å; A712-T716 PolarHBondContact O-OG1 3.2Å; V713-T716 CarbonylContact O-C 3.53Å; V713-T716 VanDerWaalsContact O-C 3.24Å; V713-T716 PolarHBondContact O-N 3.3Å; V714-T716 VanDerWaalsContact C-N 3.31Å
717G30.8Very low43.2Very low54 Ų54107.9 Ų107.956%0.55766%0.659SS**  trans-54.6147.517100000111.8A719G717-A719 PolarHBondContact O-N 3.47Å
718P35.5Very low41.6Very low128 Ų128104.6 Ų104.683%0.83166%0.66SS**  trans-71.999.1-166.228.2-35.4000112.5S720P718-S720 PolarHBondContact O-N 2.95Å
719A30.5Very low39.9Very low92 Ų92108.8 Ų108.876%0.7667%0.674SS**  trans-73.2111162.600000109.2G717 T721G717-A719 PolarHBondContact O-N 3.47Å; A719-T721 PolarHBondContact O-N 3.44Å; A719-T721 VanDerWaalsContact O-N 3.13Å
720S34Very low38Very low120 Ų120108.3 Ų108.384%0.83968%0.678SS**  trans-69.2103.9-176.6-55.50000112.6P718P718-S720 PolarHBondContact O-N 2.95Å
721T35.6Very low36.6Very low135 Ų135108.9 Ų108.983%0.82869%0.688SS**  trans-131.813116151.50000111.2A719A719-T721 PolarHBondContact O-N 3.44Å; A719-T721 VanDerWaalsContact O-N 3.13Å
722S32.3Very low35.1Very low108 Ų108112 Ų11276%0.75570%0.699SS**  trans-75.1161.5174.956.40000112.7
723V32.5Very low33.8Very low124 Ų124115.6 Ų115.675%0.75272%0.723SS**  trans-29.4149.1145-70.20000114
724C27.2Very low32.8Very low110 Ų110116 Ų11674%0.74373%0.73SS**  cis-162.6169.52.5-124.10000114.7
725S30.2Very low31.9Very low92 Ų92117.9 Ų117.964%0.64374%0.735SS**  trans61.399.4145.1-58.80000122.9
726I27.3Very low31.3Very low154 Ų154119.8 Ų119.879%0.7974%0.736SS**  42.2115.8112.4-50.9155.1000118.3
727T30.8Very low31Very low133 Ų133118.3 Ų118.382%0.81673%0.725SS**  -177.1147.5110.2-66.80000111.5
728T29.1Very low31.1Very low113 Ų113121 Ų12169%0.69373%0.725SS**  trans-78.7140.6179.2-39.40000112.9
729M29.1Very low30.9Very low130 Ų130121.2 Ų121.264%0.6471%0.713SS**  162.1108.7122.4-85.6-59.8178.800115A162A162-M729 HydrophobicContact CB-CE 3.87Å
730N28.4Very low30.9Very low140 Ų140119.3 Ų119.375%0.74970%0.703SS**  trans67.4159.2133.7-144.25.9000122.5
731T29.5Very low30.8Very low100 Ų100119.7 Ų119.761%0.61370%0.704SS**  trans62.7101.7162.841.50000120.8
732Q31.1Very low30.6Very low174 Ų174121.4 Ų121.481%0.81371%0.708SS**  76.8102.1128.1-65.6175.8-5.800121.3
733S29.2Very low30.6Very low105 Ų105119.6 Ų119.673%0.73471%0.707SS**  78.4113.8119.2-53.20000122.3
734S31.6Very low30.6Very low100 Ų100118.8 Ų118.870%0.69971%0.706SS**  trans72.6120.4138.5-56.60000119
735L29.9Very low30.9Very low158 Ų158122.3 Ų122.383%0.82771%0.712SS**  62.1128.172.4-59.7167.5000111.5
736L32.9Very low31Very low143 Ų143122.3 Ų122.375%0.74971%0.712SS**  cis-143.6-17526.8-75.3175.1000110.8
737N33.8Very low31.2Very low72 Ų72122.9 Ų122.939%0.38572%0.716SS.*  cis147179-20.3-154.4-0.8000109.2A826 S827 N828N737-A826 PolarHBondContact ND2-O 3.06Å; N737-A826 PolarHBondContact OD1-O 3.22Å; N737-S827 PolarHBondContact ND2-N 3.43Å; N737-S827 WeakPolarHBondContact OD1-CA 3.46Å; N737-S827 PolarHBondContact OD1-N 3.18Å; N737-S827 PolarHBondContact OD1-O 3.32Å; N737-N828 PolarHBondContact OD1-N 2.74Å; N737-N828 VanDerWaalsContact OD1-N 3.15Å
738L32Very low31.3Very low109 Ų109121.6 Ų121.657%0.57171%0.712SS**  trans75.6149.9175.1-76.783.2000118.5A826 S827L738-A826 HydrophobicContact CD1-CB 4.29Å; L738-A826 VanDerWaalsContact CD1-O 3.24Å; L738-A826 WeakPolarHBondContact CD1-O 3.34Å; L738-A826 HydrophobicContact CG-CB 4.26Å; L738-A826 WeakPolarHBondContact CG-O 3.34Å; L738-A826 PolarHBondContact N-O 3.44Å; L738-S827 VanDerWaalsContact CA-O 3.31Å; L738-S827 WeakPolarHBondContact CA-O 3.49Å; L738-S827 PolarHBondContact N-O 3.5Å
739K32.9Very low31.5Very low133 Ų133119.1 Ų119.158%0.57871%0.709SS**  cis-172.4154.4-20.6-169.570.1169.9-165.10110.6A826 S827K739-A826 HydrophobicContact CD-CB 4.22Å; K739-S827 VanDerWaalsContact CD-OG 3.25Å; K739-S827 WeakPolarHBondContact CD-OG 3.18Å; K739-S827 PolarHBondContact NZ-OG 2.89Å
740G30.7Very low31.7Very low53 Ų53119.8 Ų119.855%0.54672%0.715SS.*  trans100.6157.316300000116.4
741C31.6Very low32Very low128 Ų128118.6 Ų118.687%0.86571%0.709SS**  cis-145.2132-1.4-76.10000113.8
742N31.3Very low32.1Very low170 Ų170121.4 Ų121.491%0.90972%0.715SS**  trans-0.2141.1154.2-55.5-12.7000123.7
743G32.1Very low32Very low70 Ų70121.8 Ų121.872%0.72272%0.716SS**  trans125.6147.5136.400000116.5
744S33.1Very low32.1Very low107 Ų107121.7 Ų121.775%0.74872%0.716SS**  cis-166.1157.4-11.7-71.60000109.9
745Q33.2Very low31.9Very low185 Ų185123.8 Ų123.886%0.86472%0.719SS**  trans69.3152.1166-46.5-169.322.500116.4
746S30.9Very low32.1Very low91 Ų91123.9 Ų123.964%0.63672%0.715SS**  cis-166.6144.6-19.1-104.50000110.6
747L32.4Very low31.6Very low166 Ų166126.2 Ų126.287%0.86972%0.72SS**  trans61.9141153-58.7168.9000118.5
748S33Very low31.5Very low106 Ų106130.5 Ų130.574%0.74174%0.737SS**  cis-163.6137.1-9.5-179.30000110.9
749G32.6Very low31.3Very low61 Ų61128.8 Ų128.863%0.62974%0.735SS**  trans57.6167.5158.100000119.5
750D33.8Very low31.2Very low144 Ų144129.8 Ų129.877%0.7774%0.741SS**  cis-169.1159-17.7-87.1-35.7000105.5
751N33.5Very low31.1Very low115 Ų115134.8 Ų134.862%0.61575%0.754SS**  cis-151.8160-21-122.2-47.4000109.3
752Q33.3Very low31.2Very low160 Ų160136.4 Ų136.475%0.74875%0.753SS**  trans12.5119.6150.2-68.3172.969.100119.6
753H28.7Very low31.1Very low181 Ų181135.3 Ų135.384%0.83875%0.748SS**  54.3112.397.1-84.8-127000115.8
754S30.3Very low30.9Very low103 Ų103135.4 Ų135.472%0.7275%0.748SS**  175.1150.1118.653.50000114.9
755N28.4Very low30.9Very low145 Ų145136.7 Ų136.778%0.77575%0.752SS**  trans68159.9144.6-63.6-18.2000124
756H33.3Very low30.6Very low159 Ų159137.2 Ų137.274%0.73675%0.747SS**  trans87.2118.1145.8-104.8-77.7000122.6
757F23.4Very low30.4Very low193 Ų193141 Ų14185%0.84675%0.753SS**  trans-66.1128.3145.6-84.2-112.1000109.5
758Q30.5Very low30.3Very low162 Ų162139.6 Ų139.676%0.75775%0.746SS**  trans-176.1120.6148.2-97.3177.1-39.800104.4
759S28.5Very low30.1Very low73 Ų73139.1 Ų139.151%0.5174%0.742SS.*  75.1139.762.181.30000113.9
760H31.3Very low30.2Very low154 Ų154140.1 Ų140.171%0.71375%0.745SS**  trans71.8121.2178.4-39.5-57.4000113.1
761L28.2Very low30.2Very low157 Ų157141.1 Ų141.182%0.82275%0.745SS**  52.2107.177.5-74.2164.8000112.5
762L33Very low30.1Very low162 Ų162140.8 Ų140.885%0.84875%0.747SS**  -179178.4129.4-98.5162.3000112.5
763N28.8Very low30.1Very low148 Ų148140.9 Ų140.979%0.79175%0.753SS**  trans-57.9164.1178.5-49.9-26.9000112.7
764G28.3Very low30.2Very low71 Ų71136 Ų13673%0.73275%0.752SS**  cis108.7715.500000114.4
765T34.2Very low30.3Very low135 Ų135136.3 Ų136.383%0.82875%0.752SS**  trans-154.1138.1159.939.80000108.3
766Y26.2Very low30.5Very low196 Ų196137.7 Ų137.777%0.76975%0.754SS**  cis91.2134.247.2-117-68.8000114.1
767F26.5Very low30.5Very low171 Ų171136.8 Ų136.875%0.7576%0.755SS**  trans64.9154.3178.8-61.6-73000114.7
768D30.6Very low30.9Very low136 Ų136132.7 Ų132.773%0.72775%0.745SS**  cis-152.91699.5-129.2-11.4000107.9
769S29.5Very low30.9Very low95 Ų95132 Ų13266%0.66475%0.745SS**  cis-164.6-176-10.4-143.40000109.7
770A35Very low30.9Very low82 Ų82132.9 Ų132.968%0.67875%0.751SS**  trans71.1143.3158.600000118.7
771Q33.7Very low31Very low166 Ų166128.9 Ų128.978%0.77675%0.752SS**  cis-156125.6-8-124.3169.410.100113.3
772T31.2Very low31Very low107 Ų107128 Ų12866%0.65675%0.748SS**  trans57.7151.613852.90000123.3
773N31.6Very low30.9Very low163 Ų163124.1 Ų124.187%0.87274%0.739SS**  trans85124165.7-47.1-31.8000116.6
774G32.4Very low31Very low79 Ų79122 Ų12281%0.81474%0.736SS**  cis152.399.8-15.300000116.1
775C31Very low31.2Very low108 Ų108123.1 Ų123.173%0.7374%0.738SS**  trans-163123.1151.342.90000106.4
776E32.9Very low30.9Very low175 Ų175121.6 Ų121.682%0.81873%0.732SS**  61.1119.496.3-61.6168.5170.400111.1
777D34Very low31.1Very low140 Ų140119.2 Ų119.275%0.74973%0.732SS**  cis-164.6163.817.4-109.81.7000110.1
778V32Very low31.5Very low107 Ų107114.7 Ų114.765%0.64873%0.734SS**  cis-159.9157.6-23.692.60000110.3
779I29.9Very low31.5Very low147 Ų147115 Ų11575%0.75474%0.736SS**  trans-0.4140.1146.6-62.3165.5000116.8
780S29.6Very low31.6Very low91 Ų91114.4 Ų114.464%0.63673%0.732SS**  cis-139.4156.93.2-135.20000107.5D782S780-D782 PolarHBondContact OG-OD2 3.1Å; S780-D782 VanDerWaalsContact OG-OD2 3.13Å
781G31.6Very low31.5Very low70 Ų70114 Ų11472%0.72272%0.724SS**  102.8170.668.500000109.5
782D30Very low31.5Very low139 Ų139112.6 Ų112.674%0.74372%0.722SS**  cis-137.5-174.6-0.3-129.4-64.8000111.5S780S780-D782 PolarHBondContact OG-OD2 3.1Å; S780-D782 VanDerWaalsContact OG-OD2 3.13Å
783A30.4Very low31.5Very low81 Ų81115 Ų11567%0.66973%0.726SS**  trans-38154.1160.600000112.1
784S30.9Very low31.3Very low102 Ų102112.5 Ų112.571%0.71372%0.719SS**  -175150.650.558.70000113.4
785A31.5Very low31.2Very low95 Ų95112.4 Ų112.479%0.78571%0.711SS**  trans57.4160.9130.500000119
786C28.9Very low31.2Very low103 Ų103114.6 Ų114.670%0.69672%0.715SS**  cis-150.5157.916.355.20000112.7
787N30.9Very low31.1Very low146 Ų146112.1 Ų112.178%0.78171%0.707SS**  trans32.898.9134.9-51.7-12000118
788G33.5Very low30.9Very low76 Ų76111.3 Ų111.378%0.78470%0.702SS**  trans-160.258.1162.400000109.3
789N30.5Very low30.8Very low143 Ų143112.1 Ų112.177%0.76570%0.703SS**  57.8114.464.8-138.752.2000109.6
790S32.9Very low30.7Very low82 Ų82109.2 Ų109.257%0.57370%0.696SS**  cis-169.5-159.13.245.50000108.5
791S32.2Very low30.6Very low73 Ų73115.4 Ų115.451%0.5171%0.705SS.*  trans55.1111.3143.448.20000117.3
792N34.1Very low30.5Very low138 Ų138119.3 Ų119.374%0.73871%0.707SS**  cis-137.4145.732.2-70.9-54.4000111.1
793Q29.8Very low30.3Very low158 Ų158119.6 Ų119.674%0.73871%0.707SS**  61.8142.852.6-54-18020.700111.3
794C27.4Very low30.1Very low109 Ų109120.6 Ų120.674%0.73671%0.705SS**  cis-119162.314.7-53.40000111.9
795A30.6Very low30.2Very low77 Ų77121.7 Ų121.764%0.63671%0.708SS**  35.7128.3103.700000114.1
796L32.6Very low30.3Very low155 Ų155121.2 Ų121.281%0.81270%0.697SS**  cis-119.5155.446.9-65.2167.3000111.5
797N29.3Very low30.2Very low122 Ų122125 Ų12565%0.65270%0.702SS**  58.6142.151.3-61.37.3000111.6
798N30.5Very low30Very low123 Ų123121.3 Ų121.366%0.65869%0.688SS**  cis-157.6177.6-6.9-12131.4000108.6
799D29.9Very low29.9Very low125 Ų125125.3 Ų125.367%0.66869%0.69SS**  trans46.4114.2144.5-73.7-56.7000120.6
800S28.9Very low29.9Very low85 Ų85124.8 Ų124.859%0.59469%0.687SS**  84.3106.571.4-67.80000114.2
801R27.4Very low29.6Very low221 Ų221126.6 Ų126.683%0.83469%0.69SS**  trans70166.1143.7-55.9174.4177.4-171.1-1.5118.2
802M29Very low29.3Very low153 Ų153126.1 Ų126.175%0.75470%0.697SS**  trans76.7151.8162.3-56.3-51.1-168.400117.8
803L26.2Very low28.8Very low144 Ų144125.6 Ų125.675%0.75469%0.69SS**  trans44.899.6139.5-66.1169.1000116.4
804T26Very low28.5Very low102 Ų102125.5 Ų125.563%0.62669%0.687SS**  56.598.398.864.70000114.7
805T31.7Very low28.4Very low125 Ų125125.3 Ų125.377%0.76768%0.679SS**  61.8-17512669.70000117.3
806P33.3Very low28.2Very low86 Ų86128.4 Ų128.456%0.55868%0.68SS**  cis-99.7-168.6-40.98.314.8000108.1
807F27.5Very low27.8Very low181 Ų181131 Ų13179%0.79468%0.679SS**  cis-149.4150.528.3-66.6-94.3000106.7
808S27.5Very low27.8Very low70 Ų70129.6 Ų129.649%0.4968%0.679SS.*  48.3129.268.7-570000112.4
809L30.5Very low27.9Very low159 Ų159128 Ų12883%0.83268%0.678SS**SBendcis-120.3152.224.3-56.399.5000110.6
810N31.4Very low28Very low132 Ų132127.8 Ų127.871%0.70668%0.681SS**  cis-136.8143.110-101-24.4000107.7G812N810-G812 VanDerWaalsContact C-N 3.35Å; N810-G812 VanDerWaalsContact CB-N 3.29Å
811N27Very low28.2Very low120 Ų120129.3 Ų129.364%0.64269%0.687SS**  cis49.741.84.4-79.72.3000116H813N811-H813 WeakPolarHBondContact O-CB 3.23Å
812G26.1Very low28.4Very low63 Ų63123.1 Ų123.165%0.64968%0.677SS**  trans-101.963.8141.600000106.8N810N810-G812 VanDerWaalsContact C-N 3.35Å; N810-G812 VanDerWaalsContact CB-N 3.29Å
813H22.3Very low28.6Very low127 Ų127120.8 Ų120.859%0.58867%0.672SS**  59116.966.2-172.5-124.1000110.8N811N811-H813 WeakPolarHBondContact O-CB 3.23Å
814F23.3Very low28.9Very low156 Ų156121.3 Ų121.368%0.68468%0.675SS**  trans63.9138.2-177.8-62-33.8000114.9
815N25.3Very low29.2Very low106 Ų106119.1 Ų119.157%0.56767%0.673SS**  cis-165.1175.5-9-133.7-25.5000109.1
816H26.4Very low29.2Very low142 Ų142114.5 Ų114.566%0.65765%0.647SS**  trans68.9134.2144.7-73.7-21.7000117.4
817R25Very low29.1Very low210 Ų210112.2 Ų112.279%0.79263%0.634SS**  59.995.364.4-180-157.5-169.9-99.52109
818S29.8Very low29.3Very low91 Ų91108.2 Ų108.264%0.63662%0.621SS**  cis-159.4-146.213.7-81.20000108.7
819S31.7Very low29.4Very low91 Ų91108.1 Ų108.164%0.63663%0.63SS**  64.1118.5118.462.40000117.1
820T32.1Very low29.3Very low119 Ų119108.9 Ų108.973%0.7363%0.627SS**  cis-168.8-179.89.13.80000108.7
821T31.9Very low29.3Very low118 Ų118111.6 Ų111.672%0.72464%0.636SS**  trans46.7127.1142.655.10000119.7
822S32.1Very low29.3Very low90 Ų90113.2 Ų113.263%0.62964%0.641SS**  cis-174.9171.12.544.60000110.8
823T33Very low29.4Very low105 Ų105116 Ų11664%0.64465%0.649SS**  trans45.396.4141.156.10000116.5
824D33.2Very low29.8Very low154 Ų154116.2 Ų116.282%0.82465%0.653SS**  92.7159.990.2-75.3-45.9000111.3
825G31.4Very low30.3Very low57 Ų57114.7 Ų114.759%0.58866%0.659SS**  cis-156.7142.7-3.800000110.2
826A32.6Very low30.5Very low27 Ų27120.2 Ų120.222%0.22367%0.672CS.*  97.657.173.600000115.6N737 L738 K739N737-A826 PolarHBondContact ND2-O 3.06Å; N737-A826 PolarHBondContact OD1-O 3.22Å; L738-A826 HydrophobicContact CD1-CB 4.29Å; L738-A826 VanDerWaalsContact CD1-O 3.24Å; L738-A826 WeakPolarHBondContact CD1-O 3.34Å; L738-A826 HydrophobicContact CG-CB 4.26Å; L738-A826 WeakPolarHBondContact CG-O 3.34Å; L738-A826 PolarHBondContact N-O 3.44Å; K739-A826 HydrophobicContact CD-CB 4.22Å
827S31.5Very low30.6Very low39 Ų39119.4 Ų119.427%0.27368%0.678SS.*  49.1133.5115.771.10000122.7N737 L738 K739N737-S827 PolarHBondContact ND2-N 3.43Å; N737-S827 WeakPolarHBondContact OD1-CA 3.46Å; N737-S827 PolarHBondContact OD1-N 3.18Å; N737-S827 PolarHBondContact OD1-O 3.32Å; L738-S827 VanDerWaalsContact CA-O 3.31Å; L738-S827 WeakPolarHBondContact CA-O 3.49Å; L738-S827 PolarHBondContact N-O 3.5Å; K739-S827 VanDerWaalsContact CD-OG 3.25Å; K739-S827 WeakPolarHBondContact CD-OG 3.18Å; K739-S827 PolarHBondContact NZ-OG 2.89Å
828N30.7Very low30.9Very low97 Ų97115.7 Ų115.752%0.51968%0.678SS.*  trans98.8157.3143.7-56.8-12.8000120.4N737N737-N828 PolarHBondContact OD1-N 2.74Å; N737-N828 VanDerWaalsContact OD1-N 3.15Å
829G29.9Very low30.9Very low67 Ų67119.2 Ų119.269%0.69168%0.684SS**  trans112.195.5174.500000112.3
830F29Very low30.6Very low176 Ų176119.6 Ų119.677%0.77269%0.687SS**  cis68.785.415.8-79.5-62.9000117.8
831Q30.1Very low30.5Very low189 Ų189123.3 Ų123.388%0.88369%0.693SS**  trans-165.8126130-111.2157.5-13.900108.2
832M28.6Very low30.4Very low154 Ų154124.6 Ų124.676%0.75970%0.695SS**  cis72101.649-67.5-73.4-147.400114.6
833C28.2Very low30.1Very low121 Ų121128.4 Ų128.482%0.81871%0.708SS**  trans-150.785145.6-1000000107.3
834I29.8Very low30Very low131 Ų131127.4 Ų127.467%0.67271%0.705SS**  77.6111.7103.6-68.9162.4000113.2
835P34.1Very low29.9Very low125 Ų125126.9 Ų126.981%0.81270%0.702SS**  trans-87.4147.1170.435.3-33.1000112.3
836R29Very low30.1Very low222 Ų222128.8 Ų128.884%0.83870%0.704SS**  trans-155.1147.4163.7-74.7-165.8-179.4169.60.3108
837T29Very low29.8Very low125 Ų125133.9 Ų133.977%0.76773%0.727SS**  cis-160.6158.1-18.415.40000106.1Q839T837-Q839 PolarHBondContact O-N 3.36Å
838V30.9Very low29.7Very low131 Ų131137 Ų13779%0.79474%0.741SS**  trans-60.8123.2177.1-168.70000111.7
839Q30.5Very low29.6Very low166 Ų166140.3 Ų140.378%0.77675%0.751SS**  trans-137.3113.8146-70.8-171.2-33.600105.8T837T837-Q839 PolarHBondContact O-N 3.36Å
840S25.9Very low29.6Very low98 Ų98144.3 Ų144.369%0.68576%0.756SS**  71.977.665-58.30000112.3
841F29.9Very low29.8Very low197 Ų197141.3 Ų141.386%0.86475%0.752SS**  trans-131.4121.6155.6-78.1-70.3000110.1
842D28.3Very low29.9Very low145 Ų145138.7 Ų138.778%0.77574%0.744SS**  trans-83.2166.4-177-149.2-32.5000111.1
843L26.7Very low30Very low170 Ų170138 Ų13889%0.8974%0.742SS**  trans-122.165.9177.6-76.5175.7000111.9
844S30.9Very low30.1Very low84 Ų84139.2 Ų139.259%0.58774%0.74SS**  trans-130113.1166.656.50000108.7
845L30.6Very low30Very low143 Ų143144.3 Ų144.375%0.74975%0.751SS**  61.7144.988-88.783.9000114.5
846P35.2Very low29.8Very low97 Ų97142.9 Ų142.963%0.6375%0.75SS**  cis-136.5-163.1-24.739.5-20.6000112.4
847N27.8Very low30.1Very low134 Ų134138.1 Ų138.172%0.71775%0.748SS**  trans71155.1162.9-66.929.5000116.5
848D28.8Very low30.1Very low105 Ų105136 Ų13656%0.56175%0.751SS**  cis-155.2168.3-1-130.3-38.6000114.6
849F29.1Very low30.1Very low166 Ų166135.4 Ų135.473%0.72875%0.752SS**  trans62.2124.3157.9-66.3-56000124.9
850L28.7Very low30.1Very low151 Ų151135.4 Ų135.479%0.79176%0.758SS**  trans67.3124.4137.7-62172.5000118.7
851T33.9Very low30.3Very low113 Ų113138.8 Ų138.869%0.69377%0.767SS**  cis-164.9165.128.428.90000112.6
852N32.8Very low30.4Very low135 Ų135135.2 Ų135.272%0.72276%0.761SS**  trans51.4112.5153.3-64.4-8.1000120
853I29.8Very low30.6Very low139 Ų139132.5 Ų132.571%0.71375%0.754SS**  94.1123.364.3-76.6171000114.2
854N30.6Very low30.9Very low147 Ų147130.8 Ų130.879%0.78675%0.746SS**  trans62.494.1158.3-64.5-11.7000123.8
855R27.2Very low30.8Very low237 Ų237133.6 Ų133.689%0.89475%0.752SS**  49.191.1105.9-161.4-169.4-148.3-153.16.3121.8
856A29.8Very low30.6Very low95 Ų95137.5 Ų137.579%0.78576%0.757SS**  trans59.5179.6138.700000119.1
857P35.8Very low30.1Very low122 Ų122138.9 Ų138.979%0.79276%0.76SS**  cis-128.3164.1-13.640.8-26.1000115.4
858G28.4Very low30Very low81 Ų81137.4 Ų137.484%0.83576%0.759SS**  trans67.2-175.2170.700000114.6
859S31.4Very low30.1Very low118 Ų118139 Ų13983%0.82577%0.773SS**  cis-149.8-179-21.763.20000108.2
860N30Very low30.3Very low167 Ų167135.2 Ų135.289%0.89377%0.772SS**  trans-63.9141.4-166.8-73.5-39.8000114.9
861L31.7Very low31.1Very low168 Ų168133.7 Ų133.788%0.8877%0.771SS**  trans-65.8149.2173-68.7166.9000112.7
862V31.1Very low31.3Very low122 Ų122132.5 Ų132.574%0.73977%0.765SS**  trans-111.5123.2138.8174.10000107.5
863S32.4Very low31.3Very low88 Ų88135.3 Ų135.362%0.61577%0.771SS**  trans0.3137.1155.5-36.90000119.4
864D33.8Very low31.6Very low135 Ų135134.2 Ų134.272%0.72277%0.771SS**  175.2124.4103.8-84.4-22.6000110.8
865I28.9Very low31.9Very low142 Ų142131.9 Ų131.973%0.72877%0.767SS**  81.7117.8106.6-62.5171.3000115.5
866W25Very low32.2Very low226 Ų226126.7 Ų126.786%0.85676%0.761SS**  trans1.6152153.2-74.262.6000122.1
867N25.7Very low32.4Very low126 Ų126127.2 Ų127.267%0.67476%0.757SS**  trans87.5105.9146.9-75.6-26.1000121.2
868S25.3Very low32.2Very low102 Ų102126.8 Ų126.871%0.71375%0.752SS**  89.7163.4117.1-62.40000120.8
869V30.3Very low32.5Very low140 Ų140129 Ų12985%0.84875%0.745SS**  trans82.793169.7-167.10000115.9
870A34.1Very low32.5Very low85 Ų85127.9 Ų127.970%0.70274%0.737SS**  trans-80.3-164.6153.500000109
871P45Very low32.5Very low120 Ų120124.3 Ų124.378%0.77973%0.725SS**  cis-127.7-140.32.231.5-3.2000109
872P38.7Very low32.4Very low88 Ų88120.4 Ų120.457%0.57171%0.712SS**  cis-146.4175-1.646.1-27000120.1
873F32.4Very low32.3Very low193 Ų193122.3 Ų122.385%0.84671%0.712SS**  trans69.6143154-63.5-45.3000118.7
874T35.4Very low32.1Very low116 Ų116124.1 Ų124.171%0.71271%0.714SS**  cis-143.1158.63.637.50000113
875S36.5Very low31.9Very low99 Ų99125.5 Ų125.569%0.69272%0.716SS**  trans57.5120152.151.80000119.8
876V34.4Very low32Very low127 Ų127122.3 Ų122.377%0.7772%0.718SS**  cis67.7133.122.8-165.60000112.3T878V876-T878 HydrophobicContact CG1-CG2 4.48Å
877P34.3Very low32.3Very low107 Ų107121.3 Ų121.370%0.69572%0.716SS**  cis-113.2158.523.510.715.2000115.6
878T32.1Very low32.3Very low112 Ų112121.7 Ų121.769%0.68772%0.723SS**  57.3128.570.782.80000113.9V876V876-T878 HydrophobicContact CG1-CG2 4.48Å
879D34.9Very low32.5Very low129 Ų129120 Ų12069%0.6972%0.72SS**  -153.4154.658.5-93.3-90000111.3
880S31.5Very low32.4Very low94 Ų94118.7 Ų118.766%0.65772%0.718SS**  73.5143.158.3120.40000113.9
881S30Very low32.1Very low92 Ų92119.7 Ų119.764%0.64372%0.72SS**  cis-166.3145.4-8.439.30000114.1
882S28.7Very low31.3Very low86 Ų86119.3 Ų119.360%0.60172%0.72SS**  trans69.8166.7143.8800000121.5
883Q28.2Very low31Very low161 Ų161120.3 Ų120.375%0.75272%0.724SS**  trans71.6143.8155.4-66.3177.48600118
884L28.9Very low30.9Very low126 Ų126118 Ų11866%0.6672%0.721SS**  cis-155.6159.2-9-101.9160.8000109.5
885H29.1Very low30.7Very low164 Ų164117.8 Ų117.876%0.75972%0.715SS**  trans48140.9151.2-81.377.6000122.5
886G31.3Very low30.4Very low75 Ų75119.3 Ų119.377%0.77372%0.715SS**  trans171.184.3155.400000116.8V888G886-V888 PolarHBondContact O-N 3.47Å
887Y31Very low30.3Very low206 Ų206120 Ų12081%0.80871%0.713SS**  trans-43.4125.3166.7-78-96.3000112.8
888V26.7Very low30.3Very low134 Ų134122 Ų12281%0.81272%0.715SS**  75.512180.91690000114.4G886G886-V888 PolarHBondContact O-N 3.47Å
889G29.5Very low30.3Very low65 Ų65123.4 Ų123.467%0.6772%0.718SS**  trans92.7162.8168.300000115.2
890S28.9Very low30.3Very low114 Ų114121.9 Ų121.980%0.79772%0.716SS**  cis-175148.2-21.3-107.30000109.4
891S27.2Very low30.3Very low105 Ų105122.3 Ų122.373%0.73472%0.718SS**  trans60.4132.6156.5-59.10000121.2
892S28.6Very low30.4Very low113 Ų113123.2 Ų123.279%0.7973%0.725SS**  trans65.3157.8156.966.70000115.8
893T30.7Very low30.6Very low108 Ų108124.5 Ų124.566%0.66373%0.731SS**  cis-156.9149.431.931.60000112.1
894L30.9Very low30.7Very low146 Ų146121.5 Ų121.576%0.76473%0.728SS**  trans67158152-59161.2000116
895N31.9Very low30.7Very low111 Ų111125.7 Ų125.759%0.59474%0.735SS**  cis-152.8155.9-2.8-127.2-13.3000112
896N30.7Very low30.7Very low130 Ų130124.7 Ų124.770%0.69574%0.735SS**  trans24.4140.6136.7-58.3-11.3000120.1
897I32.2Very low30.6Very low141 Ų141124.2 Ų124.272%0.72373%0.73SS**  cis-169.4162.53.9-123.4176.4000106.8
898M34.1Very low30.5Very low151 Ų151122.2 Ų122.274%0.74473%0.733SS**  cis-137.7172.5-1.3-110.5-165.9-69.900106.6
899N30.5Very low30.4Very low140 Ų140120.5 Ų120.575%0.74973%0.727SS**  cis78.5149.628.9-126.128000115.8
900P35.2Very low30.3Very low98 Ų98123.7 Ų123.764%0.63673%0.728SS**  cis-121.3158.4-742.4-29000116.9
901S31.2Very low30.2Very low102 Ų102124.7 Ų124.771%0.71372%0.724SS**  trans59.3106.4138.164.50000122.7
902S32.8Very low30.2Very low112 Ų112124.8 Ų124.878%0.78372%0.723SS**  trans-59.2164.6130.3-27.70000110.8
903P33.7Very low30.1Very low113 Ų113124.2 Ų124.273%0.73472%0.719SS**  -156.6142.777.940.5-19.9000119.1
904S28.7Very low29.9Very low97 Ų97126 Ų12668%0.67873%0.725SS**  51.9141.4128.785.90000125
905R29.2Very low29.9Very low214 Ų214130.1 Ų130.181%0.80873%0.73SS**  trans97.7129.3132.4-91.3-177.9170.9-169.1-2.5121.1
906N30.1Very low29.7Very low144 Ų144131.3 Ų131.377%0.7774%0.735SS**  trans58.3117.1146.7-55-5.6000117.3
907G29.8Very low29.7Very low65 Ų65132.8 Ų132.867%0.6774%0.742SS**  cis134.81282200000109.1
908N27.3Very low29.5Very low163 Ų163131 Ų13187%0.87274%0.741SS**  trans58.8117.3164.5-55.8-8.5000115.7
909S25.6Very low29.2Very low98 Ų98128 Ų12869%0.68574%0.735SS**  cis173.4-179.949540000112.4
910I27.5Very low29.2Very low133 Ų133131.7 Ų131.768%0.68274%0.739SS**  trans77.3125.2145.3-79.6165.5000119.5
911N27Very low28.7Very low135 Ų135133.1 Ų133.172%0.72275%0.746SS**  trans62110.2149.5-69.21.9000123.8
912C25.6Very low28.8Very low106 Ų106136.2 Ų136.272%0.71675%0.754SS**  76.7144.6112-61.30000122.8
913S28.4Very low28.5Very low101 Ų101137.6 Ų137.671%0.70675%0.752SS**  trans75.5106145.3-61.50000120.3
914N26Very low28.4Very low147 Ų147139.4 Ų139.479%0.78676%0.756SS**  53.886.5129-590.7000118.6
915R29.7Very low28.4Very low231 Ų231139.8 Ų139.887%0.87276%0.758SS**  trans-144.7118.4131.1-113.5164.7-79-155.5-0.8106.2
916I28.4Very low28.5Very low136 Ų136138 Ų13870%0.69776%0.757SS**  48.883.366.2-51179.6000109.9
917I31.6Very low28.7Very low161 Ų161137.1 Ų137.183%0.82675%0.752SS**  trans-110.195.8146.2-63.7-179.7000105.8S919I917-S919 PolarHBondContact O-N 3.4Å
918S26.9Very low28.7Very low103 Ų103140.8 Ų140.872%0.7276%0.762SS**  trans-72.7114.2165.1-56.70000108.1
919S27.3Very low28.9Very low88 Ų88136.5 Ų136.562%0.61575%0.749SS**  trans-160107.3159.8-89.20000112.3I917I917-S919 PolarHBondContact O-N 3.4Å
920R30.5Very low29.1Very low219 Ų219139.1 Ų139.183%0.82675%0.753SS**  trans61.490.9145.2-51.3173.1-159.7-141.4-0.7114.9
921T26.3Very low29.4Very low127 Ų127141.7 Ų141.778%0.77976%0.76SS**  48.981.586.470.50000112.5
922L32.8Very low29.5Very low168 Ų168141.2 Ų141.288%0.8876%0.758SS**  trans-130.9112148.6-80.3179.6000107.7
923D26.8Very low29.7Very low140 Ų140145.1 Ų145.175%0.74976%0.763SS**  trans-62.2150.2173.6-51.1-90.8000110.7
924N31.5Very low29.6Very low151 Ų151144.1 Ų144.181%0.80776%0.756SS**  trans-15987.5148.8-100.8-74.2000107.2
925S28.1Very low30Very low105 Ų105145.4 Ų145.473%0.73476%0.763SS**  trans-60.3131.8167-179.80000109.6
926F32.1Very low29.9Very low176 Ų176140.7 Ų140.777%0.77276%0.76SS**  trans-152.1101.9151.5-92.9-65.1000110.1
927D33.4Very low30Very low126 Ų126146 Ų14667%0.67477%0.771SS**  trans49.292.1149.2-51.7-31.9000118.9A929D927-A929 PolarHBondContact O-N 3.16Å
928T29.3Very low29.9Very low143 Ų143148.7 Ų148.788%0.87777%0.771SS**  trans-69.484.4141.4-58.70000108.1I930T928-I930 PolarHBondContact O-N 3.44Å
929A32.2Very low30.1Very low72 Ų72151.3 Ų151.360%0.59577%0.771SS**  trans-63.1118.1174.600000109.8D927 F931D927-A929 PolarHBondContact O-N 3.16Å; A929-F931 PolarHBondContact O-N 2.96Å
930I30.5Very low30.6Very low153 Ų153153 Ų15379%0.78578%0.778SS**  trans-66.8120.3174.2-62.5171.9000107.8T928 N932T928-I930 PolarHBondContact O-N 3.44Å; I930-N932 HydrophobicContact CG2-CB 4.46Å; I930-N932 PolarHBondContact O-N 2.75Å
931F33.6Very low30.6Very low187 Ų187150.4 Ų150.482%0.8278%0.781SS**  trans-72.573.4173.2-76.1-73000111A929 F933A929-F931 PolarHBondContact O-N 2.96Å; F931-F933 PolarHBondContact O-N 3.02Å
932N28.1Very low31Very low126 Ų126148.1 Ų148.167%0.67478%0.783SS**  trans-82101.8172.9-168.924.6000109.5I930 S934I930-N932 HydrophobicContact CG2-CB 4.46Å; I930-N932 PolarHBondContact O-N 2.75Å; N932-S934 PolarHBondContact O-N 3.27Å
933F30.1Very low30.8Very low187 Ų187147.5 Ų147.582%0.8278%0.78SS**  trans-7095.7176.1-80.2-83.1000110.2F931F931-F933 PolarHBondContact O-N 3.02Å
934S27.2Very low31.2Very low81 Ų81148.5 Ų148.557%0.56678%0.784SS**  trans-151.446.9179.4-68.50000111.9N932 T936N932-S934 PolarHBondContact O-N 3.27Å; S934-T936 PolarHBondContact O-N 3.29Å; S934-T936 VanDerWaalsContact O-N 3.08Å
935D32.9Very low31.2Very low174 Ų174146.7 Ų146.793%0.9378%0.783SS**  trans-74.194.5171.8-101-44.5000110.5
936T28.9Very low31.4Very low131 Ų131147.1 Ų147.180%0.80478%0.784SS**  trans-75.7126.8176.753.80000111.7S934S934-T936 PolarHBondContact O-N 3.29Å; S934-T936 VanDerWaalsContact O-N 3.08Å
937R31Very low31.2Very low249 Ų249145 Ų14594%0.9479%0.785SS**  trans-124.5115.7156.3-84.9-168.4170.1-147-3.3110.9
938R28.6Very low30.9Very low216 Ų216146.2 Ų146.282%0.81579%0.79SS**  trans-63.2161147.1-58-178.8177.8178-4.8108
939E31.6Very low31.1Very low158 Ų158147.3 Ų147.374%0.73879%0.789SS**  cis-154.9162.524.6-114.1124.9-13100105
940T36.6Very low30.9Very low124 Ų124151.1 Ų151.176%0.76180%0.799SS**  cis-140.1167.212.549.70000111.1
941D31.4Very low31Very low164 Ų164152.2 Ų152.288%0.87780%0.8SS**  trans-69.5161.3-176.9-44.3-89.6000115.5
942G34.5Very low30.8Very low79 Ų79150 Ų15081%0.81480%0.797SS**  trans170.264.5177.900000114.5
943D29.2Very low31Very low156 Ų156155.2 Ų155.283%0.83481%0.808SS**  trans-62.2142.1177.1-67.8-60.3000113.4
944I35.4Very low30.9Very low160 Ų160153.8 Ų153.882%0.82181%0.808SS**  trans173.2121.6134.6-90.6153.7000108.9
945S29.6Very low31Very low113 Ų113158.1 Ų158.179%0.7982%0.819SS**  trans-81.6153.9165.5-48.70000110.4
946P33.5Very low31Very low115 Ų115157.6 Ų157.675%0.74781%0.81SS**  -143.1130.5120.933.7-19.1000114.7
947T27.1Very low31.2Very low131 Ų131159.7 Ų159.780%0.80481%0.811SS**  trans-69.9159.8144-550000108.6
948I28.6Very low31.1Very low151 Ų151156.1 Ų156.177%0.77481%0.805SS**  trans99.6100.1178.4-54.7158.9000113.6
949L32.2Very low31.1Very low166 Ų166152.7 Ų152.787%0.86980%0.803SS**  -167.494.3123.7-104.4168.8000109.6
950L28.8Very low31.2Very low152 Ų152152.5 Ų152.580%0.79681%0.806SS**  trans-128.8159.9167.4-120.5174.7000107.3
951H31.4Very low30.8Very low176 Ų176155.4 Ų155.482%0.81581%0.811SS**  trans69.2133.8-159-38.387.5000111
952D30.8Very low30.8Very low141 Ų141155.8 Ų155.875%0.75481%0.807SS**  cis-144.2128.729.3168.942.8000113.2
953R31Very low30.5Very low236 Ų236157.7 Ų157.789%0.89181%0.805SS**  -175.7126.3127.2-114.2-178152.3-176.3-9.1112.9
954L29Very low30.8Very low157 Ų157156.8 Ų156.882%0.82280%0.8SS**  trans-102.3173.7169.6-81.5164.2000111.7
955Q28.8Very low30.5Very low171 Ų171155.7 Ų155.780%0.79980%0.801SS**  trans92.7140.6159.9-53.4-176.5-17.300118.6
956H32.6Very low30.6Very low163 Ų163159.3 Ų159.376%0.75580%0.797SS**  trans68.1128.2-175.5-60.878.3000114.8
957E33.5Very low30.3Very low175 Ų175165.2 Ų165.282%0.81881%0.805SS**  cis-150.5161.3-0.8-144.8172.9165.100112.8
958Q28.6Very low30.6Very low174 Ų174165.6 Ų165.681%0.81380%0.797SS**  trans-71164.8161.8-65.6157.7-48.900108.1
959D29.3Very low30.6Very low145 Ų145162.2 Ų162.278%0.77579%0.787SS**  cis-160.6-165.428.4-156.8-20.8000110.2
960L32.5Very low30.5Very low154 Ų154159.9 Ų159.981%0.80678%0.775SS**  trans8281.7167-118.278000118.2
961H29.4Very low30.6Very low184 Ų184165 Ų16585%0.85278%0.784SS**  trans-73.4132.6156.9-75.5-109000112.1
962Q31.6Very low30.6Very low172 Ų172163.6 Ų163.680%0.80478%0.781SS**  trans-147.7124.7142.4-77.7-155.64.600111.9L964Q962-L964 PolarHBondContact O-N 2.84Å
963P28.4Very low30.6Very low119 Ų119162.1 Ų162.177%0.77378%0.777SS**  trans-81.598.9174.731.9-32.1000110.7T965P963-T965 VanDerWaalsContact C-N 3.34Å; P963-T965 PolarHBondContact O-N 2.65Å
964L33.8Very low30.5Very low137 Ų137157 Ų15772%0.71777%0.774SS**  trans-76.981.5-174-131.8150.7000112.1Q962 R966Q962-L964 PolarHBondContact O-N 2.84Å; L964-R966 HydrophobicContact CD2-CB 4.35Å; L964-R966 HydrophobicContact CD2-CG 4.25Å; L964-R966 PolarHBondContact O-N 2.71Å
965T30.2Very low30.8Very low137 Ų137155.1 Ų155.184%0.8477%0.774SS**  trans-57.4105.9167.153.10000109.9P963P963-T965 VanDerWaalsContact C-N 3.34Å; P963-T965 PolarHBondContact O-N 2.65Å
966R30.8Very low30.9Very low190 Ų190151.5 Ų151.572%0.71777%0.768SS**  trans-124.989.2178.9-134.6-175.1-172.9-145.12.2112.3L964 H968L964-R966 HydrophobicContact CD2-CB 4.35Å; L964-R966 HydrophobicContact CD2-CG 4.25Å; L964-R966 PolarHBondContact O-N 2.71Å; R966-H968 VanDerWaalsContact CZ-NE2 3.31Å; R966-H968 PolarHBondContact NE-NE2 2.96Å; R966-H968 PolarHBondContact NH1-NE2 3.05Å; R966-H968 PolarHBondContact O-N 3.41Å
967R27Very low30.8Very low239 Ų239151.7 Ų151.790%0.90277%0.768SS**  trans-54.5132.1154.9-62.2178.6179.9-176.60.4108
968H34.3Very low30.7Very low139 Ų139150.8 Ų150.864%0.64477%0.769SS**  trans-132.4101.5157-93.8-76.9000108.9R966R966-H968 VanDerWaalsContact CZ-NE2 3.31Å; R966-H968 PolarHBondContact NE-NE2 2.96Å; R966-H968 PolarHBondContact NH1-NE2 3.05Å; R966-H968 PolarHBondContact O-N 3.41Å
969S28.5Very low30.7Very low80 Ų80149.3 Ų149.356%0.55977%0.765SS**  trans-86.3-169.8168.741.70000110
970D30.6Very low30.8Very low116 Ų116147.3 Ų147.362%0.6276%0.759SS**  trans65.782.3153-45.8-43.7000118.4
971W30.4Very low30.5Very low261 Ų261148.5 Ų148.599%0.98976%0.76SS**  trans-123.378141-82.682.9000110
972I31Very low30.8Very low145 Ų145148 Ų14874%0.74476%0.763SS**  trans-81.9123170-67.3177.3000108.8
973V31.6Very low30.6Very low111 Ų111145.1 Ų145.167%0.67376%0.762SS**  trans25.5118.9152.2-173.50000117.8
974P27.9Very low30.8Very low128 Ų128144.3 Ų144.383%0.83177%0.765SS**  trans-67139.7170.630.7-34.9000111.4
975S35.6Very low30.7Very low118 Ų118144.8 Ų144.883%0.82577%0.768SS**  trans-138.7142.4166.6-740000109.1
976S30.9Very low31Very low95 Ų95143.2 Ų143.266%0.66476%0.763SS**  trans-115.2159.9-159.953.40000114.2
977H31.2Very low31.2Very low166 Ų166137 Ų13777%0.76976%0.758SS**  trans78.7153.9167-51.9-72.2000118.6
978L31.5Very low31.6Very low157 Ų157133.2 Ų133.282%0.82276%0.755SS**  trans76.4129.3168.4-45-175.1000115.8
979L28.5Very low31.6Very low142 Ų142132.2 Ų132.274%0.74376%0.759SS**  cis-166.2168.7-16.4-128.2-179.3000109.2
980T30.6Very low31.9Very low104 Ų104133.1 Ų133.164%0.63877%0.772SS**  trans61.694.5156.5-430000115.3
981E27.2Very low32.1Very low179 Ų179133 Ų13384%0.83678%0.78SS**  42.5118.489.8-69-16415400115.2
982L34.6Very low32.4Very low173 Ų173126 Ų12691%0.90677%0.771SS**  -163.8153.2121.6-105.6166000110.1
983S27.5Very low32.8Very low112 Ų112125.3 Ų125.378%0.78378%0.776SS**  trans-107.5-168.9-162.8-520000112.8
984A33.1Very low32.7Very low101 Ų101123.4 Ų123.484%0.83578%0.779SS**  trans82.2146.4176.600000113.5
985D31.1Very low32.7Very low147 Ų147128 Ų12879%0.78678%0.78SS**  cis150.71521.8-178.364.6000102.6
986S37.2Very low32.4Very low105 Ų105129.5 Ų129.573%0.73477%0.773SS**  cis-143.7179.1-6.618.30000105.3
987G35.2Very low32.2Very low60 Ų60131.1 Ų131.162%0.61977%0.774SS**  cis168.61782.600000108.8
988D35.9Very low32Very low158 Ų158129 Ų12985%0.84577%0.773SS**  trans62.1148.9162.4-61.6-17.2000120.7
989T34.5Very low31.8Very low118 Ų118127 Ų12772%0.72477%0.767SS**  cis-158.9155.4-19.326.60000110.1
990A32.8Very low31.7Very low99 Ų99127.1 Ų127.182%0.81877%0.767SS**  trans59.1146.3149.700000120.2
991S36.6Very low31.7Very low113 Ų113128.9 Ų128.979%0.7977%0.772SS**  cis-154.5174.9-3.954.20000110.5
992S35.3Very low31.9Very low115 Ų115125.1 Ų125.180%0.80477%0.766SS**  trans-133.1154.2171.8-50.10000111.3
993P40.7Very low31.7Very low130 Ų130124 Ų12484%0.84476%0.756SS**  trans-125.4167.6132.537-29.5000110.9
994G29.8Very low32Very low71 Ų71124 Ų12473%0.73275%0.753SS**  cis143.4121.8-0.600000110.7
995R27.2Very low31.7Very low226 Ų226124.6 Ų124.685%0.85374%0.742SS**  trans-57.2146.7-179.8-53.9164.8177.2169.3-3.8112.2
996H29.4Very low31.8Very low148 Ų148123.3 Ų123.369%0.68575%0.745SS**  173.4140.4107-101.7-79.7000116
997N26.3Very low31.4Very low129 Ų129126.6 Ų126.669%0.6975%0.749SS**  trans47.6122.9137-69.217.2000126.6
998V26.3Very low31Very low122 Ų122128.3 Ų128.374%0.73975%0.751SS**  72.3154.7117.1-174.10000120.5
999V27.2Very low30.8Very low116 Ų116131.7 Ų131.770%0.70375%0.754SS**  trans81.697.8177.5-162.90000113.4
1000I26.5Very low30.5Very low144 Ų144130.4 Ų130.474%0.73875%0.749SS**  60.610784.1-53.4161.4000113.2
1001D30.2Very low30.5Very low140 Ų140132.3 Ų132.375%0.74975%0.751SS**  -179.5141106.2-121.1-49000116.3
1002S31.5Very low30.2Very low101 Ų101132.3 Ų132.371%0.70674%0.742SS**  trans27.3128.1149-57.70000126.6
1003E30.8Very low30Very low149 Ų149134.1 Ų134.170%0.69674%0.743SS**  7155.3126.3-88-84.512200120.3N1005E1003-N1005 PolarHBondContact OE2-N 3.09Å; E1003-N1005 PolarHBondContact OE2-ND2 2.93Å
1004P35.2Very low29.4Very low111 Ų111135.9 Ų135.972%0.72174%0.737SS**  cis-150.2166.440.443.7-23.2000122.1
1005N26.6Very low29.4Very low114 Ų114140.1 Ų140.161%0.6174%0.743SS**  trans20.5135.3143.8-82.2-88.6000122.5E1003E1003-N1005 PolarHBondContact OE2-N 3.09Å; E1003-N1005 PolarHBondContact OE2-ND2 2.93Å
1006S32.7Very low29.5Very low121 Ų121138.3 Ų138.385%0.84674%0.742SS**  -174.2165.7105.337.50000113.7
1007Q28.5Very low29.6Very low173 Ų173139.1 Ų139.181%0.80875%0.75SS**  trans-115.7158.2-164.6-56.2166.3-14.500113.3
1008S27.8Very low29.7Very low96 Ų96141.9 Ų141.967%0.67176%0.758SS**  trans159.9141149.1-78.40000110.8
1009Y30.8Very low29.8Very low229 Ų229142.9 Ų142.990%0.89876%0.759SS**  cis-148.2169.7-10.7-99.1-60000109.2
1010S28.2Very low30.1Very low91 Ų91146 Ų14664%0.63677%0.771SS**  trans-117.1151.1-176.5171.60000113
1011V32.6Very low30.2Very low140 Ų140145.7 Ų145.785%0.84877%0.771SS**  trans-141.7141.8142.8-1730000110
1012N29.8Very low30.2Very low112 Ų112147.5 Ų147.560%0.59978%0.775SS**  trans-88.6162.7-169.4-28.7-76.1000114.4F1014N1012-F1014 HydrophobicContact CB-CE2 4.47Å
1013N31.2Very low30.2Very low154 Ų154150.7 Ų150.782%0.82478%0.783SS**  -161.6164.1108.9-108.3-5.7000114.2
1014F28.9Very low30.1Very low167 Ų167149.3 Ų149.373%0.73279%0.788SS**  trans-88149.8-150.3-71.5-100.1000117N1012N1012-F1014 HydrophobicContact CB-CE2 4.47Å
1015N30.1Very low29.6Very low160 Ų160151.6 Ų151.686%0.85679%0.794SS**  trans-81.9154.1156.8-84.9-27.1000111.2
1016F28.4Very low29.7Very low188 Ų188151.4 Ų151.483%0.82580%0.801SS**  trans-129.1168.1160-95.4-89.8000109.3
1017I32.2Very low29.4Very low165 Ų165150.6 Ų150.685%0.84680%0.796SS**  trans69.958.5-176.1-39.5-179.7000113.1
1018H29.5Very low29.4Very low186 Ų186148.2 Ų148.286%0.86180%0.798SS**  trans-131.149.8145.6-163.6-63000110
1019D27.5Very low29.4Very low143 Ų143149.5 Ų149.577%0.76581%0.806SS**  trans-139.4103174.7-84-52.2000108.4
1020L33.7Very low29.3Very low181 Ų181144.7 Ų144.795%0.94880%0.796SS**  trans-177.741.6154.4-107170.4000113.5
1021D29.1Very low29.5Very low139 Ų139147.6 Ų147.674%0.74380%0.797SS**SBendtrans-145143162.9-147.7-20.4000110.8
1022Q29.5Very low29.3Very low178 Ų178148.3 Ų148.383%0.83280%0.796SS**  trans5972.9-177.6-62.1-171.469.900119.8
1023L30.9Very low29.3Very low168 Ų168147.9 Ų147.988%0.8881%0.808SS**  trans-164.2146.7144.1-88.1-177.3000108.1
1024C28.3Very low29.2Very low119 Ų119144.5 Ų144.580%0.80480%0.802SS**  cis-158174.4-32.3-146.20000109.1
1025L26.3Very low29.4Very low160 Ų160142.2 Ų142.284%0.83880%0.801SS**  trans-78.8161.9170-73.4162.1000111.7
1026S27.2Very low29.3Very low109 Ų109141.6 Ų141.676%0.76280%0.798SS**  trans76.8113.516471.10000120.5
1027S26.6Very low29.3Very low105 Ų105138.6 Ų138.673%0.73480%0.795SS**  trans27.8126.9136.357.70000122
1028S28.8Very low29.2Very low123 Ų123136.3 Ų136.386%0.8679%0.788SS**  -175174.3101.7-80.40000112.9
1029C28.6Very low29.3Very low123 Ų123133.5 Ų133.583%0.83179%0.785SS**  trans-93.4169-172.4-56.10000114.5
1030D28.7Very low29.4Very low128 Ų128132.2 Ų132.268%0.68478%0.782SS**  trans85.2129144.7-107.5-16.4000121.2
1031K31.2Very low29.2Very low151 Ų151130.9 Ų130.966%0.65777%0.774SS**  trans78.5108.8143.9-72.8161.3-176.1131.40122.1
1032D29.1Very low29.1Very low155 Ų155128.8 Ų128.883%0.82977%0.77SS**  56.4134113.1-59.5-34.7000120.9
1033A28.7Very low29.2Very low103 Ų103126.5 Ų126.585%0.85177%0.768SS**  trans-64.5140-178.400000114.4
1034A30.5Very low29.3Very low84 Ų84123.8 Ų123.869%0.69476%0.759SS**  -172.9140.9111.700000114.2
1035T32.5Very low29.4Very low118 Ų118124.8 Ų124.872%0.72476%0.755SS**  trans50.5117.2144.156.90000122.3
1036N27.6Very low29.7Very low148 Ų148123.3 Ų123.379%0.79175%0.748SS**  85.7123.4123.6-70.8-2.5000123.3
1037V29.5Very low30Very low124 Ų124125.5 Ų125.575%0.75275%0.751SS**  trans82.995.5134.3178.60000119.4
1038T29.2Very low30Very low117 Ų117125.7 Ų125.772%0.71875%0.752SS**  45.3113.3119.4-40.70000120.8
1039T31.1Very low30.1Very low128 Ų128125.6 Ų125.679%0.78575%0.745SS**  -179.2115.311434.70000109.7
1040T30.4Very low30.1Very low115 Ų115125.8 Ų125.871%0.70674%0.743SS**  68.6142.788.814.60000119.1
1041I28.8Very low30.1Very low153 Ų153126.6 Ų126.679%0.78575%0.746SS**  trans78.8137.3153.9-68160.2000117.4
1042C26.7Very low29.8Very low96 Ų96124.7 Ų124.765%0.64975%0.75SS**  cis-174.4152.3-22.5-107.10000111.6
1043T31.8Very low30.7Very low129 Ų129122.9 Ų122.979%0.79175%0.747SS**  trans55.6171.8146.960.80000118.8
1044T34.1Very low31Very low112 Ų112124.1 Ų124.169%0.68775%0.746SS**  cis-145136.219.338.60000111.7
1045L30.9Very low30.8Very low140 Ų140122.8 Ų122.873%0.73374%0.74SS**  89.2120.393.9-65.4173.7000119.4
1046N31.7Very low30.6Very low128 Ų128126 Ų12668%0.68475%0.745SS**  trans55138130.1-616.9000124.7
1047N33.6Very low30.8Very low156 Ų156126.6 Ų126.683%0.83474%0.743SS**  trans116.8148.7144.7-65.8-38.5000115.1
1048C25.9Very low30.6Very low109 Ų109126.6 Ų126.674%0.73674%0.744SS**  cis-174.6-172.2-24.7-169.80000106.5
1049V32.2Very low30.6Very low121 Ų121129.2 Ų129.273%0.73375%0.747SS**  trans77.499.2159-175.20000118.4
1050T28.5Very low30.4Very low126 Ų126128.8 Ų128.877%0.77374%0.74SS**  trans-24.9161.7141.4-31.90000118
1051I27.3Very low30.3Very low145 Ų145130.5 Ų130.574%0.74474%0.744SS**  trans119.8106.7151.5-62.5158.5000116.2
1052C25.4Very low30.2Very low111 Ų111128.9 Ų128.975%0.7574%0.737SS**  trans50142.3142.3-58.90000124.7
1053P47.6Very low30.2Very low117 Ų117131.4 Ų131.476%0.7674%0.739SS**  trans-82.7173.3161.444.2-40.2000109.9
1054P36.4Very low30Very low129 Ų129131.5 Ų131.584%0.83874%0.735SS**  -153.1-174.759.143.9-23.1000117.2
1055G26.6Very low29.7Very low56 Ų56134.6 Ų134.658%0.57774%0.741SS**  trans128.6144.3143.100000117
1056F27.4Very low29.5Very low186 Ų186133 Ų13382%0.81674%0.742SS**  trans64.2129.5163.4-56.3-82.5000118.2
1057E30.7Very low29.3Very low160 Ų160132.3 Ų132.375%0.74874%0.742SS**  cis-156.8146.7-19.2-152.6157-136.800109
1058T25.5Very low29Very low125 Ų125134.5 Ų134.577%0.76775%0.745SS**  trans-81.6125.8173.646.30000110.1
1059H30.8Very low29.1Very low172 Ų172134.2 Ų134.280%0.79674%0.744SS**  trans-136.5107.7159.7-128.8-66.2000111
1060D25.6Very low29.1Very low118 Ų118137.1 Ų137.163%0.63175%0.754SS**  trans-57.3138.2154.6-63.2-78.5000108.8
1061L29.8Very low29.3Very low152 Ų152139.7 Ų139.780%0.79676%0.755SS**  -177.1127.8122.2-98.3164.2000112.3
1062N26.2Very low29.7Very low118 Ų118139 Ų13963%0.63176%0.758SS**  trans57.9126.2137.8-130.961000121.7
1063E26.9Very low30.1Very low150 Ų150140.8 Ų140.870%0.70175%0.752SS**  trans-0.9121.1132.5-41175.6160.200114.8
1064N26.7Very low29.5Very low131 Ų131142.3 Ų142.370%0.70175%0.749SS**  -170.718071.5-92.9-71.7000112.8
1065E28Very low29.3Very low176 Ų176140.8 Ų140.882%0.82274%0.742SS**  trans0.7129.6161.4-51.5-171.5133.900117.5
1066S27.3Very low29.4Very low106 Ų106145.3 Ų145.374%0.74175%0.752SS**  -175.4152.965.140.20000114.4
1067V27.2Very low29.6Very low114 Ų114142.6 Ų142.669%0.69175%0.75SS**  trans25.8113.4138.8-173.90000117.9
1068F27.5Very low29.4Very low203 Ų203141.7 Ų141.789%0.8975%0.751SS**  -151.7145.8107.1-110.2-73.7000112.2
1069S27.2Very low29.6Very low103 Ų103140.5 Ų140.572%0.7275%0.748SS**  trans-97.8152.8-179.2-68.60000111.9
1070L31.8Very low29.7Very low181 Ų181138.4 Ų138.495%0.94875%0.747SS**  trans-151.3149.2138.2-108.4155000110.8
1071K32.6Very low30Very low181 Ų181142 Ų14279%0.78776%0.757SS**  trans-112.2146.2-170.2-82.9176.7172.3172.50111.8
1072T35.8Very low29.9Very low130 Ų130141.7 Ų141.780%0.79876%0.755SS**  -162.8118.7127.121.90000107
1073K34.2Very low29.9Very low148 Ų148146.5 Ų146.564%0.64377%0.765SS**  66.1127.575.7-74.4-175.6158-79.20112.6
1074E36.6Very low30Very low149 Ų149144 Ų14470%0.69676%0.764SS**  cis-163.2150-1-137.1146.4-156.600115.1
1075S31.5Very low30.1Very low98 Ų98142.8 Ų142.869%0.68577%0.766SS**  trans53129.7154.2-140.30000122.5
1076L28.5Very low30.3Very low151 Ų151139.6 Ų139.679%0.79176%0.763SS**  cis74.9139.333-7986.9000115.5
1077V31.7Very low30.6Very low128 Ų128141.6 Ų141.678%0.77677%0.766SS**  cis-161-177.3-7.686.30000113.2
1078N26.7Very low31.2Very low141 Ų141141.2 Ų141.275%0.75477%0.765SS**  trans-67.6179.8172.3-79.6-38.3000116.1
1079S30.2Very low31.4Very low101 Ų101136.1 Ų136.171%0.70676%0.755SS**  trans107.397.3140.6-58.70000121
1080T32.4Very low31.6Very low127 Ų127140.2 Ų140.278%0.77976%0.76SS**  52.2116.112459.50000123.4
1081K30.5Very low31.7Very low193 Ų193136.7 Ų136.784%0.83975%0.746SS**  56.6114125.7-86.5-173.2175.5-177.10120.9
1082L28.2Very low31.7Very low146 Ų146136.2 Ų136.276%0.76475%0.746SS**  167.9169.1100-96.5154000115.2
1083W27Very low31.6Very low219 Ų219134.5 Ų134.583%0.8374%0.738SS**  trans-28.5151.9165.6-103.4-69.1000116.3
1084S28Very low31.5Very low97 Ų97133.9 Ų133.968%0.67875%0.747SS**  cis-157.6171.629.7-81.30000115.7
1085S30Very low31.4Very low107 Ų107130.6 Ų130.675%0.74875%0.753SS**  trans1.9141.9143.2-151.70000118.5
1086S31.6Very low31.3Very low109 Ų109133.4 Ų133.476%0.76276%0.761SS**  cis-156.1157.638.7-52.10000114.7
1087N34.5Very low31.6Very low148 Ų148134.3 Ų134.379%0.79176%0.764SS**  trans-80.9165.9164.7-132.3-26.1000109.7
1088P39.4Very low31.5Very low105 Ų105134 Ų13468%0.68276%0.763SS**  -157.1165.265.241.3-20.7000119.6
1089S30.7Very low31.9Very low97 Ų97132.3 Ų132.368%0.67876%0.762SS**  trans67.8152.8147.866.60000118.6
1090K31.4Very low31.9Very low188 Ų188134.5 Ų134.582%0.81777%0.766SS**  cis-164.3-177.3-1.6-113.3169.5-178.1175.20106.2
1091T34.8Very low32Very low107 Ų107134.5 Ų134.566%0.65677%0.766SS**  cis-163.9131.38.8-1.30000109.1
1092H32.6Very low32.1Very low172 Ų172132 Ų13280%0.79676%0.76SS**  trans62.7165.8149.3-75.7-118.7000119.3
1093C33.2Very low32.3Very low93 Ų93132.5 Ų132.563%0.62876%0.764SS**  cis-153140.63.3-137.90000114.8
1094T32.4Very low32.7Very low135 Ų135125.6 Ų125.683%0.82876%0.761SS**  trans32.5135.7141.256.90000124.7
1095G34.6Very low32.9Very low80 Ų80127.2 Ų127.283%0.82577%0.766SS**  trans179.1118.7152.200000114.8
1096N29.8Very low33.1Very low158 Ų158131.7 Ų131.785%0.84577%0.772SS**  trans-120.6158.9-178.9-101.3-1000111.7
1097I33.9Very low33Very low169 Ų169133.2 Ų133.287%0.86777%0.772SS**  172158.8128-88157.1000111.1
1098T30.6Very low33Very low123 Ų123133.1 Ų133.176%0.75577%0.77SS**  trans-130.8-173.2-163.354.20000114.1
1099S33.5Very low32.6Very low104 Ų104134.7 Ų134.773%0.72777%0.772SS**  trans87.3153.3163.6860000117.7
1100N30.4Very low32.7Very low148 Ų148136.6 Ų136.679%0.79177%0.774SS**  cis-171.9177.9-28.9-113.3-8.5000110.2
1101T34.4Very low32.7Very low127 Ų127131.3 Ų131.378%0.77976%0.76SS**  trans82.3157.4156.2-32.30000117.3
1102I33.5Very low32.7Very low140 Ų140133.6 Ų133.672%0.71876%0.763SS**  -165145.3-62.7-108.6165.5000111.3
1103N31.8Very low32.7Very low157 Ų157131.8 Ų131.884%0.8476%0.76SS**  trans53.3145.4159.2-65-4.4000125.1
1104G35Very low32.6Very low74 Ų74134.9 Ų134.976%0.76377%0.769SS**  trans-164.4156.7166.700000112
1105V33.2Very low32.8Very low131 Ų131133.8 Ų133.879%0.79476%0.764SS**  trans-146.4146.7-160.3-167.50000115.2
1106K34Very low33Very low200 Ų200136 Ų13687%0.8776%0.764SS**  trans135.8166.9141.7-73.1161.2-173.3176.60114.9
1107N30.4Very low33.6Very low141 Ų141133.7 Ų133.775%0.75476%0.757SS**  -176172.3-52.4-151.1-8000110.9
1108I34.5Very low33.5Very low147 Ų147131.1 Ų131.175%0.75475%0.753SS**  trans79.3154.1162.6-65.2165.3000117.8
1109N29.8Very low33.7Very low137 Ų137130.5 Ų130.573%0.73375%0.75SS**  cis-178.9-178.8-36.9-161.76.4000110.9
1110I33.4Very low33.7Very low138 Ų138133.7 Ų133.771%0.70875%0.753SS**  trans78.4146.4154.3-68.4155.1000119.5
1111S30.6Very low33.8Very low77 Ų77130.4 Ų130.454%0.53874%0.741SS.*  -173.2173.7-59.446.20000113
1112H34.8Very low33.7Very low155 Ų155131.4 Ų131.472%0.71874%0.741SS**  trans82.3155.8167-50.2-60.7000119.7
1113N32Very low33.7Very low134 Ų134130.9 Ų130.972%0.71774%0.744SS**  cis-161.9135.3-21.6-102.70.1000113.1
1114L33Very low33.6Very low158 Ų158126.3 Ų126.383%0.82773%0.734SS**  trans33140.4149.5-83.364.9000126.3
1115P35.8Very low33.5Very low111 Ų111127 Ų12772%0.72173%0.727SS**  trans-107.2178.9162.542.6-34.9000114.1
1116P38.9Very low33.4Very low127 Ų127130.5 Ų130.583%0.82573%0.726SS**  trans-138-118.4132.529.7-5.7000117.6
1117P41.4Very low33.3Very low109 Ų109128 Ų12871%0.70872%0.721SS**  -141.7176.3-128.545.1-24.6000120.6
1118C32.8Very low33.3Very low115 Ų115129.7 Ų129.778%0.77772%0.722SS**  trans-178.3117.9140.4-95.60000108
1119T33.8Very low33.1Very low111 Ų111126.4 Ų126.468%0.68171%0.712SS**  57.9131.966.665.20000114.2
1120E34.2Very low33.1Very low171 Ų171127.2 Ų127.280%0.79972%0.716SS**  cis-166.6-179.5-9.6-133.8-171.1-84.400107
1121S31.9Very low33.1Very low78 Ų78126.4 Ų126.455%0.54572%0.718SS.*  cis-158.3-170.40.9-153.30000106.3
1122L32.9Very low33.3Very low149 Ų149128.2 Ų128.278%0.7873%0.73SS**  cis-151.4-165.41.1-163.342.7000103.9
1123V32.8Very low33.2Very low129 Ų129126.7 Ų126.778%0.78273%0.732SS**  cis-152.5158.710-164.80000107.9
1124G30.9Very low33.1Very low60 Ų60126.9 Ų126.962%0.61973%0.732SS**  trans73.282.7156.800000116.5
1125S31.5Very low33Very low90 Ų90127.1 Ų127.163%0.62973%0.729SS**  53.1124.986.8-64.70000114.9
1126R31.4Very low32.6Very low204 Ų204132.1 Ų132.177%0.7773%0.734SS**  cis-167.5168.62.9-126.1165.1-76.3148.41.8107.1
1127I33.3Very low32.3Very low147 Ų147132.6 Ų132.675%0.75473%0.728SS**  cis-147.8171.915.7-162.8157.9000112.7
1128F30.5Very low31.8Very low176 Ų176135 Ų13577%0.77273%0.728SS**  trans-65.9171.5174.4-69.5-106.8000115
1129S28.7Very low31.7Very low79 Ų79136.5 Ų136.555%0.55273%0.728SS**  cis-179.5-169.2-20.8-86.60000109.8
1130N31.5Very low31.6Very low153 Ų153138.2 Ų138.282%0.81873%0.733SS**  trans102.487.3171.7-54.8-14.6000112.9
1131T32.5Very low31.7Very low122 Ų122134.5 Ų134.575%0.74872%0.724SS**  cis67.779.121.275.20000117
1132S34.4Very low31.7Very low114 Ų114136.7 Ų136.780%0.79773%0.734SS**  trans-167.8143.3154.586.60000108.5
1133V32.7Very low31.4Very low123 Ų123134.9 Ų134.975%0.74573%0.734SS**  cis-138.5116.8-2176.10000111.1
1134L30.8Very low31.2Very low138 Ų138138 Ų13872%0.72374%0.74SS**  trans25.2109138.6-58167000121.6
1135Q29.5Very low31.2Very low164 Ų164139.4 Ų139.477%0.76675%0.746SS**  44.7101.2101.7-168.9-17820.400118.8
1136R28.3Very low31Very low216 Ų216140.7 Ų140.782%0.81575%0.753SS**  trans-177.6138155.4-105.8-179.8-86.4-174.1-7.4107.4
1137L31.8Very low30.9Very low136 Ų136138.4 Ų138.471%0.71276%0.756SS**  cis-131.5140.4-1.8-67.598000107.8
1138F31.9Very low30.7Very low159 Ų159137 Ų13770%0.69776%0.757SS**  46.2136.899.2-47.7-69.3000115.4
1139N30.3Very low30.7Very low147 Ų147136.7 Ų136.779%0.78676%0.761SS**  cis-163.7165.41.5-123.7-0.5000113.2
1140N30.9Very low30.8Very low147 Ų147137.8 Ų137.879%0.78677%0.767SS**  trans-85.4-174.9160.9-139.1-0.5000108.7
1141P37.7Very low30.6Very low94 Ų94136.2 Ų136.261%0.6176%0.763SS**  cis-141.4-137.9-4.243-20.2000113.4
1142T32.2Very low30.6Very low124 Ų124137.3 Ų137.376%0.76176%0.764SS**  trans84.3124.5174.569.20000115.7
1143S26.7Very low30.3Very low110 Ų110137.9 Ų137.977%0.76976%0.758SS**  cis103.1133.89.2-51.30000116.8
1144Q28.7Very low30.5Very low196 Ų196139.5 Ų139.592%0.91676%0.763SS**  trans85.5155.9165.5-58.8-173.5-900120.4
1145A30.3Very low30.3Very low89 Ų89140.3 Ų140.374%0.73677%0.768SS**  trans84.576.6158.200000121.3
1146C26.4Very low30.6Very low116 Ų116140.7 Ų140.778%0.78477%0.774SS**  58.2139.7116.7-56.90000124.4
1147N29.1Very low30.5Very low156 Ų156137 Ų13783%0.83477%0.771SS**  trans85.2124.4149.6-61.5-7.7000120.2
1148P30.2Very low30.5Very low119 Ų119138.9 Ų138.977%0.77378%0.778SS**  trans-96.5163.117139-34.4000113
1149I29.9Very low30.2Very low168 Ų168136.7 Ų136.786%0.86278%0.782SS**  trans-157.4145.1151.3-103.9150000108.5
1150P30.5Very low30.3Very low103 Ų103133.4 Ų133.467%0.66978%0.783SS**  trans-113.6-175.5-162.843.4-35.9000115.4
1151T28.1Very low30.1Very low120 Ų120138.1 Ų138.174%0.73679%0.79SS**  trans64.7113.4162.258.70000119
1152N31.5Very low29.8Very low144 Ų144142 Ų14277%0.7781%0.805SS**  -160.4166103.5-116.1-72.4000114.6
1153N28.7Very low29.6Very low126 Ų126143.2 Ų143.267%0.67481%0.807SS**  trans-70.2154-176-48.6-75.3000113.1
1154N36.2Very low29.5Very low158 Ų158142.2 Ų142.285%0.84580%0.8SS**  -175.9155112.8-87.1-27000111.2
1155D28.2Very low29.6Very low154 Ų154141.1 Ų141.182%0.82479%0.792SS**  trans-63.4151.2178.7-55.4-94.5000113.6
1156L34.2Very low29.5Very low172 Ų172144.9 Ų144.990%0.90179%0.792SS**  trans-159.5123.9131.6-111.2171.8000112
1157N27.1Very low29.5Very low139 Ų139150.7 Ų150.774%0.74380%0.798SS**  trans-79.7123.6174.4173.29.2000110.5
1158M31.5Very low29.6Very low175 Ų175149.1 Ų149.186%0.86280%0.796SS**  trans-145119.3163.3-107.8-62.3171.800112.2
1159S26.7Very low29.4Very low113 Ų113151.6 Ų151.679%0.7980%0.797SS**  trans-88.3117.7169.4-68.70000110.1
1160G31.5Very low29.6Very low78 Ų78148.1 Ų148.180%0.80479%0.794SS**  trans-134.4102.7-178.500000113.2
1161R26.2Very low29.4Very low246 Ų246149 Ų14993%0.92879%0.793SS**  trans-74126.5163.3-71.6179172.1-164-1.6109.2
1162L32.1Very low29.6Very low177 Ų177149.1 Ų149.193%0.92779%0.789SS**  trans-136.3156.3147-82.6-176.1000110.6
1163N27.3Very low29.5Very low148 Ų148147.5 Ų147.579%0.79178%0.781SS**  trans-137.4155.8-170.6-1625.8000108
1164S25.7Very low29.7Very low89 Ų89148.8 Ų148.862%0.62278%0.782SS**  trans65.3149.8-168.879.50000113.7
1165F29.6Very low29.3Very low174 Ų174147.8 Ų147.876%0.76378%0.775SS**  -140.3136.163-106.5-110.7000114.9
1166F29.2Very low29.4Very low168 Ų168145.9 Ų145.974%0.73777%0.771SS**  trans53.5131.3135.7-78.8-111.4000123.3
1167W26.5Very low29.1Very low237 Ų237144.5 Ų144.590%0.89876%0.764SS**  trans-79.1165.7155.3-74.163.3000111.6
1168P31.6Very low29.1Very low124 Ų124143.6 Ų143.681%0.80577%0.767SS**  trans-120.6163.2137.835.8-28.2000113.4
1169Q26Very low29Very low170 Ų170140.1 Ų140.179%0.79476%0.759SS**  trans-132.4129.7-168.9171.9-170.6-6.200111.1
1170A33.7Very low29.1Very low96 Ų96139.6 Ų139.679%0.79376%0.755SS**  trans-163119.8165.700000106.3
1171N26.6Very low29Very low122 Ų122140.6 Ų140.665%0.65275%0.749SS**  cis75.5128.923.5-110.383.5000114.6
1172N30.5Very low29.4Very low121 Ų121136.1 Ų136.165%0.64774%0.744SS**  trans75.2142.5166.3-61.954.2000117
1173D31Very low29.2Very low111 Ų111134 Ų13459%0.59473%0.734SS**  cis-161.8160.6-5.3-100.5-23.9000113.5
1174H31.7Very low29.5Very low152 Ų152135 Ų13570%0.70474%0.737SS**  trans47.1126.7158.6-53.5-46.2000121.6
1175I29.2Very low29.7Very low137 Ų137137.3 Ų137.370%0.70374%0.742SS**  62.5129.654.1-56.7178.4000111.8I1177I1175-I1177 HydrophobicContact CG2-CD1 4.08Å; I1175-I1177 HydrophobicContact CG2-CG1 4.49Å
1176P30.1Very low29.9Very low114 Ų114137 Ų13774%0.7475%0.749SS**  cis-123.3170.432.617.78.7000115.1
1177I26.5Very low29.9Very low144 Ų144133.1 Ų133.174%0.73874%0.742SS**  cis75.9105.545.2-52.6170.6000115.4I1175I1175-I1177 HydrophobicContact CG2-CD1 4.08Å; I1175-I1177 HydrophobicContact CG2-CG1 4.49Å
1178C27.9Very low30.2Very low120 Ų120131.3 Ų131.381%0.81174%0.741SS**  trans170.7146.8148.9-93.10000109.1
1179C30Very low30.1Very low102 Ų102128.2 Ų128.269%0.68973%0.732SS**  cis-165.6153.1-20.8-132.40000109.9
1180S29Very low30.2Very low102 Ų102128.1 Ų128.171%0.71373%0.729SS**  trans40.7143.4135.3-600000122.2
1181S29.5Very low29.9Very low98 Ų98128.8 Ų128.869%0.68573%0.728SS**  cis-171.1-173.33.9-99.90000110.6
1182N33.6Very low29.9Very low152 Ų152131 Ų13181%0.81373%0.728SS**  trans105.191.4168.5-52.3-15.3000112.5
1183N28Very low29.8Very low134 Ų134133.2 Ų133.272%0.71774%0.74SS**  47.8109.171.1-74.815.3000114.6
1184I34.6Very low29.6Very low168 Ų168134.7 Ų134.786%0.86274%0.743SS**  -155.5142.5122.3-97.3153.2000107.1
1185D30Very low29.6Very low137 Ų137132 Ų13273%0.73374%0.741SS**  trans-75.9158.9-176.3-46.9-101.6000112.4
1186D32.5Very low29.5Very low168 Ų168134.3 Ų134.390%0.89875%0.749SS**  -169.4167.799.2-127.5-40.1000113.8
1187S29.9Very low29.5Very low86 Ų86135.1 Ų135.160%0.60175%0.747SS**  trans-113.5142.5-167.71790000114.4
1188F32.2Very low29.6Very low200 Ų200135.5 Ų135.588%0.87775%0.745SS**  trans-145.487.1150.4-85.8-63000113.1F1190F1188-F1190 HydrophobicContact CD1-CD2 4.33Å; F1188-F1190 HydrophobicContact CD1-CE2 4.05Å; F1188-F1190 HydrophobicContact CE1-CE2 4.26Å
1189G29.2Very low29.7Very low59 Ų59138 Ų13861%0.60874%0.743SS**  trans-89.5143.2151.800000110.5
1190F29.6Very low29.6Very low167 Ų167139.7 Ų139.773%0.73274%0.74SS**  trans-12575.9169.1-106.8-73.9000111.9F1188 Y1192F1188-F1190 HydrophobicContact CD1-CD2 4.33Å; F1188-F1190 HydrophobicContact CD1-CE2 4.05Å; F1188-F1190 HydrophobicContact CE1-CE2 4.26Å; F1190-Y1192 HydrophobicContact CD1-CD2 4.05Å; F1190-Y1192 AromaticContact CE1-CD2 3.88Å; F1190-Y1192 HydrophobicContact CE1-CD2 3.88Å; F1190-Y1192 HydrophobicContact CE1-CE2 4.29Å
1191S25.5Very low29.6Very low110 Ų110140.1 Ų140.177%0.76973%0.731SS**  trans-85.6122.4149.3540000108.5
1192Y27.7Very low29.6Very low169 Ų169140.5 Ų140.566%0.66372%0.722SS**  trans-129.981.8163.8-117-97.9000110F1190 E1194F1190-Y1192 HydrophobicContact CD1-CD2 4.05Å; F1190-Y1192 AromaticContact CE1-CD2 3.88Å; F1190-Y1192 HydrophobicContact CE1-CD2 3.88Å; F1190-Y1192 HydrophobicContact CE1-CE2 4.29Å; Y1192-E1194 HydrophobicContact CD1-CB 3.89Å; Y1192-E1194 HydrophobicContact CE1-CB 3.89Å
1193L27.9Very low29.3Very low168 Ų168140.6 Ų140.688%0.8872%0.717SS**  trans-82.5113.5138.1-88.4166.6000105.4
1194E28.2Very low29.4Very low142 Ų142138.5 Ų138.566%0.66471%0.713SS**  trans-106.4111.7157.5-172.3152.5-128.700108.2Y1192Y1192-E1194 HydrophobicContact CD1-CB 3.89Å; Y1192-E1194 HydrophobicContact CE1-CB 3.89Å
1195S30.9Very low29Very low94 Ų94137.7 Ų137.766%0.65771%0.711SS**  trans-93.296.1169.9-62.80000106.9N1197S1195-N1197 PolarHBondContact O-N 3.31Å
1196E26.8Very low29Very low187 Ų187135 Ų13587%0.87471%0.707SS**  trans-58106.8168.6-79.7-166.411000109.4
1197N30.9Very low28.7Very low130 Ų130131.1 Ų131.170%0.69570%0.699SS**  trans-144.1104168.1-113.6-36.6000109.3S1195S1195-N1197 PolarHBondContact O-N 3.31Å
1198Q28.9Very low28.7Very low152 Ų152132.1 Ų132.171%0.7170%0.701SS**  trans25.3119.8147.1-51.717839.100117.1
1199F29.2Very low28.4Very low174 Ų174133.4 Ų133.476%0.76370%0.7SS**  -164.9103.493.8-103.7-83.2000107.6
1200Q28.3Very low28.4Very low136 Ų136134.8 Ų134.864%0.63670%0.701SS**  72.7128.185.1-140.2-162.111.400113.3
1201H28.1Very low28.3Very low112 Ų112131 Ų13152%0.51970%0.695SS.*  trans68.7150.2177.2-67.8-95.2000116.4
1202H29.5Very low28.5Very low105 Ų105130.7 Ų130.749%0.48669%0.693SS.*  cis-139.1139.35.4-134.8-59.3000113.9
1203Q28.3Very low28.6Very low154 Ų154127.3 Ų127.372%0.7268%0.681SS**  trans70.8141.3142.8-119.5159.91900122
1204S28.5Very low28.7Very low90 Ų90127.3 Ų127.363%0.62968%0.675SS**  trans47.7129.5139.760.20000120.6
1205D28.2Very low28.8Very low152 Ų152123.2 Ų123.281%0.81366%0.66SS**  cis-164.5162.2-3.6-125.6-51.5000112.2
1206A28.5Very low28.7Very low80 Ų80125.3 Ų125.366%0.66166%0.66SS**  trans62.7141.3163.900000115.6
1207A27.2Very low28.8Very low87 Ų87121.3 Ų121.372%0.71964%0.644SS**  37.4109.673.100000111.9
1208T29.1Very low28.8Very low106 Ų106120.5 Ų120.565%0.6564%0.64SS**  -175.8121.590.9-79.20000105.3
1209R26.6Very low28.9Very low228 Ų228116.3 Ų116.386%0.8662%0.622SS**  64.615566.3-177.4-157.5-158.8-174.78.6110.1
1210S29.5Very low29.1Very low88 Ų88114.8 Ų114.862%0.61562%0.617SS**  trans65.1107.7175.115.50000114.6
1211S26.8Very low29.6Very low87 Ų87117.1 Ų117.161%0.60862%0.622SS**  80.798.461.275.10000115
1212S29.5Very low29.9Very low103 Ų103117 Ų11772%0.7263%0.629SS**  trans-156.256.9160.358.40000108.7
1213F30.5Very low29.9Very low98 Ų98113.1 Ų113.143%0.4362%0.617SS.*  99.1145.190.1-105.8-145000109.1I1227 N1229F1213-I1227 HydrophobicContact CB-CG2 3.51Å; F1213-N1229 HydrophobicContact CB-CB 4.13Å; F1213-N1229 HydrophobicContact CD1-CB 4.34Å; F1213-N1229 HydrophobicContact CD2-CB 3.22Å; F1213-N1229 HydrophobicContact CE2-CB 3.55Å; F1213-N1229 HydrophobicContact CG-CB 3.61Å; F1213-N1229 VanDerWaalsContact CG-N 3.3Å; F1213-N1229 HydrophobicContact CZ-CB 4.19Å; F1213-N1229 WeakPolarHBondContact CZ-O 3.39Å
1214F29.9Very low30.1Very low168 Ų168110.2 Ų110.274%0.73761%0.614SS**  trans-93.4-88.7-155.8-155.6-46.3000121.8G1226 I1227 N1228F1214-G1226 CarbonylContact O-C 3.58Å; F1214-G1226 VanDerWaalsContact O-O 3.11Å; F1214-I1227 WeakPolarHBondContact O-CA 3.44Å; F1214-I1227 PolarHBondContact O-N 2.82Å; F1214-N1228 WeakPolarHBondContact CA-O 3.4Å; F1214-N1228 WeakPolarHBondContact CB-O 3.33Å; F1214-N1228 PolarHBondContact N-O 3.2Å
1215P29.3Very low30.3Very low56 Ų56113.8 Ų113.836%0.36462%0.624SS.*  trans-98.7174.1-16444.6-38.7000113.9G1226 I1227 N1228P1215-G1226 VanDerWaalsContact C-CA 3.43Å; P1215-G1226 CarbonylContact O-C 3.55Å; P1215-I1227 VanDerWaalsContact C-N 3.32Å; P1215-I1227 CarbonylContact O-C 3.58Å; P1215-I1227 WeakPolarHBondContact O-CA 3.36Å; P1215-I1227 PolarHBondContact O-N 2.8Å; P1215-N1228 WeakPolarHBondContact CD-O 3.23Å; P1215-N1228 PolarHBondContact O-N 2.98Å
1216E29.6Very low30.7Very low138 Ų138107.9 Ų107.965%0.64560%0.599SS**  cis-149.4131.644.9-96.5156.3168.300110.9I1225E1216-I1225 CarbonylContact C-O 3.57Å; E1216-I1225 VanDerWaalsContact O-O 3.05Å
1217N28.5Very low31Very low103 Ų103109.5 Ų109.555%0.55160%0.595SS**  68.6110.375.8175.534.1000114.4I1225N1217-I1225 PolarHBondContact N-O 3.22Å
1218L31.4Very low31.3Very low114 Ų114110 Ų11060%0.59759%0.586SS**  trans170.4127.7132.5-92.5163.3000114.1G1223L1218-G1223 VanDerWaalsContact C-CA 3.48Å; L1218-G1223 PolarHBondContact N-O 3.36Å
1219N31.1Very low31.5Very low64 Ų64109.5 Ų109.534%0.34258%0.579SS.*  trans35.1168.1136.8-57.83.8000123.8Y1221 T1222N1219-Y1221 HydrophobicContact CB-CD1 3.96Å; N1219-Y1221 HydrophobicContact CB-CE1 4.12Å; N1219-Y1221 VanDerWaalsContact CG-CD1 3.49Å; N1219-Y1221 VanDerWaalsContact CG-CE1 3.5Å; N1219-Y1221 WeakPolarHBondContact ND2-CE1 3.45Å; N1219-Y1221 WeakPolarHBondContact OD1-CD1 3.17Å; N1219-T1222 PolarHBondContact O-OG1 2.78Å
1220E33.5Very low32Very low141 Ų141101.6 Ų101.666%0.65957%0.569SS**SBendcis-109.8110.9-16.2-77.278.6-141.800111.7T1222E1220-T1222 WeakPolarHBondContact CA-OG1 3.38Å; E1220-T1222 PolarHBondContact N-OG1 3.44Å
1221Y37.7Very low32.2Very low186 Ų186102.4 Ų102.473%0.72958%0.575SS**SBendcis-142.594.2-27-47.7-105000106.3N1219N1219-Y1221 HydrophobicContact CB-CD1 3.96Å; N1219-Y1221 HydrophobicContact CB-CE1 4.12Å; N1219-Y1221 VanDerWaalsContact CG-CD1 3.49Å; N1219-Y1221 VanDerWaalsContact CG-CE1 3.5Å; N1219-Y1221 WeakPolarHBondContact ND2-CE1 3.45Å; N1219-Y1221 WeakPolarHBondContact OD1-CD1 3.17Å
1222T34.4Very low32.5Very low110 Ų110105.5 Ų105.568%0.67558%0.584SS**  cis59.71707.182.30000115.1N1219 E1220N1219-T1222 PolarHBondContact O-OG1 2.78Å; E1220-T1222 WeakPolarHBondContact CA-OG1 3.38Å; E1220-T1222 PolarHBondContact N-OG1 3.44Å
1223G30.4Very low32.6Very low23 Ų23108 Ų10824%0.23759%0.589CS.*  trans156.10.8172.100000118.5L1218L1218-G1223 VanDerWaalsContact C-CA 3.48Å; L1218-G1223 PolarHBondContact N-O 3.36Å
1224S31.5Very low32.8Very low92 Ų92106.2 Ų106.264%0.64360%0.599SS**  trans26.7118.1152.6-52.10000120.7
1225I32.6Very low32.8Very low165 Ų165105 Ų10585%0.84660%0.6SS**  trans73.5165.8148.2-54.8164.2000115.4E1216 N1217E1216-I1225 CarbonylContact C-O 3.57Å; E1216-I1225 VanDerWaalsContact O-O 3.05Å; N1217-I1225 PolarHBondContact N-O 3.22Å
1226G37.5Very low33.1Very low28 Ų28107.8 Ų107.829%0.28961%0.612SS.*  trans165.2155.6176.700000116.8F1214 P1215F1214-G1226 CarbonylContact O-C 3.58Å; F1214-G1226 VanDerWaalsContact O-O 3.11Å; P1215-G1226 VanDerWaalsContact C-CA 3.43Å; P1215-G1226 CarbonylContact O-C 3.55Å
1227I34.8Very low33.3Very low114 Ų114107.3 Ų107.359%0.58561%0.614SS**  trans-156.3106.6169.8-58.8-172.9000113.4F1213 F1214 P1215F1213-I1227 HydrophobicContact CB-CG2 3.51Å; F1214-I1227 WeakPolarHBondContact O-CA 3.44Å; F1214-I1227 PolarHBondContact O-N 2.82Å; P1215-I1227 VanDerWaalsContact C-N 3.32Å; P1215-I1227 CarbonylContact O-C 3.58Å; P1215-I1227 WeakPolarHBondContact O-CA 3.36Å; P1215-I1227 PolarHBondContact O-N 2.8Å
1228N33.7Very low33.7Very low97 Ų97109 Ų10952%0.51962%0.623SS.*  trans-167.6140.9161-107.4-50.7000115.4F1214 P1215F1214-N1228 WeakPolarHBondContact CA-O 3.4Å; F1214-N1228 WeakPolarHBondContact CB-O 3.33Å; F1214-N1228 PolarHBondContact N-O 3.2Å; P1215-N1228 WeakPolarHBondContact CD-O 3.23Å; P1215-N1228 PolarHBondContact O-N 2.98Å
1229N33Very low34Very low96 Ų96112.8 Ų112.851%0.51364%0.635SS.*  trans-138.8166.6-175.5-158.55.2000115.6F1213F1213-N1229 HydrophobicContact CB-CB 4.13Å; F1213-N1229 HydrophobicContact CD1-CB 4.34Å; F1213-N1229 HydrophobicContact CD2-CB 3.22Å; F1213-N1229 HydrophobicContact CE2-CB 3.55Å; F1213-N1229 HydrophobicContact CG-CB 3.61Å; F1213-N1229 VanDerWaalsContact CG-N 3.3Å; F1213-N1229 HydrophobicContact CZ-CB 4.19Å; F1213-N1229 WeakPolarHBondContact CZ-O 3.39Å
1230G36.3Very low34.2Very low62 Ų62113.6 Ų113.664%0.63966%0.658SS**  trans94.1172.117300000113.9
1231S33.6Very low34.4Very low106 Ų106111.3 Ų111.374%0.74166%0.664SS**  cis-170163.7-17.6-1710000107.6
1232N34.2Very low34.3Very low152 Ų152110.7 Ų110.781%0.81367%0.667SS**  trans65.7159.9-179.5-58.7-41000116.1
1233N31.2Very low34.4Very low154 Ų154111.7 Ų111.782%0.82467%0.669SS**  cis158.7118-36.3172.623.1000107
1234G34Very low34.7Very low62 Ų62116.6 Ų116.664%0.63969%0.694SS**  trans77.9168178.500000115.2
1235N31.4Very low35Very low142 Ų142115.9 Ų115.976%0.75969%0.694SS**  cis-162.8164-14.1-147.5-5.9000111.4
1236N34.9Very low35.1Very low114 Ų114115.6 Ų115.661%0.6169%0.694SS**  trans63.5113.1156.5-59.3-40.5000121.7
1237N33.4Very low35Very low128 Ų128121.9 Ų121.968%0.68472%0.721SS**  46.7119.3118.3-44.4-34000120.9
1238N37.2Very low35.1Very low138 Ų138120.5 Ų120.574%0.73872%0.721SS**  -179.1130.8101.5-97.6-64.6000115.7
1239K37.5Very low35.1Very low194 Ų194120.2 Ų120.284%0.84373%0.727SS**  trans41119.8139.3-61.7177.1-178.9-179.60122.6
1240G35.1Very low35.2Very low81 Ų81120.8 Ų120.884%0.83574%0.738SS**  trans97.4148.1141.900000116.4
1241A37.9Very low35.2Very low94 Ų94126.8 Ų126.878%0.77775%0.75SS**  cis-159.3159.9-1400000111
1242E36.7Very low35.2Very low172 Ų172126.8 Ų126.880%0.80475%0.75SS**  trans71141.4162-68.8-172-166.700122.3
1243N35.2Very low35.2Very low131 Ų131123.6 Ų123.670%0.70174%0.744SS**  trans73.696.7149.7-58-24.9000122.8
1244T37.6Very low35.2Very low126 Ų126127.5 Ų127.577%0.77375%0.748SS**  84.794.9124.6-47.50000120.5
1245A37.5Very low35Very low77 Ų77130.9 Ų130.964%0.63676%0.76SS**  24.2142.1127.600000122
1246N34.6Very low35.1Very low160 Ų160128.1 Ų128.186%0.85677%0.766SS**  cis-157.6115-6.4-104.3-13.1000111
1247N35.6Very low34.9Very low159 Ų159127.1 Ų127.185%0.8577%0.773SS**  trans-93.6170.3160.5-101.1-22.3000108.5
1248S35.9Very low35Very low85 Ų85127.2 Ų127.259%0.59477%0.772SS**  cis-174.2-175.4-1551.30000108.3
1249S35.3Very low34.9Very low92 Ų92122.5 Ų122.564%0.64376%0.756SS**  trans47.9116.6142.859.30000120.4
1250S33.9Very low34.8Very low107 Ų107117.8 Ų117.875%0.74874%0.737SS**  79.7144.769-63.50000115.7
1251Q36.1Very low34.6Very low189 Ų189116.7 Ų116.788%0.88373%0.726SS**  trans68.6158.7164-65167.29.900117.2
1252S33.3Very low34.5Very low106 Ų106118.5 Ų118.574%0.74171%0.713SS**  cis-164.1179.6-31.666.20000110.9
1253A34.8Very low34.5Very low84 Ų84120.2 Ų120.269%0.69471%0.711SS**  trans66.8109152.700000121.7
1254R31Very low34.5Very low236 Ų236124.4 Ų124.489%0.89172%0.717SS**  48.6128.9126.7-71.8-176.1171.9-176.7-2.9122
1255C29.2Very low34.4Very low133 Ų133129.4 Ų129.490%0.89972%0.722SS**  trans68.9116.1142-62.90000118.9
1256G33.7Very low34.4Very low85 Ų85137.2 Ų137.288%0.87674%0.735SS**  trans173.1116.1168.200000109.1
1257A32.5Very low34.8Very low92 Ų92134.5 Ų134.576%0.7673%0.726SS**  trans-121.8167.6-177.400000111.1
1258I35Very low34.7Very low131 Ų131131.9 Ų131.967%0.67272%0.721SS**  trans75.2146.4172.1-38.9157.6000114.6P505P505-I1258 WeakPolarHBondContact O-CG2 3.28Å
1259G35.3Very low35Very low38 Ų38132.9 Ų132.939%0.39273%0.725SS.*  trans114.170.7142.100000117.3S507S507-G1259 VanDerWaalsContact CB-C 3.45Å; S507-G1259 VanDerWaalsContact CB-CA 3.44Å; S507-G1259 VanDerWaalsContact OG-CA 3.23Å; S507-G1259 WeakPolarHBondContact OG-CA 3.19Å
1260E35.4Very low35Very low95 Ų95134.9 Ų134.944%0.44473%0.728SS.*  trans-11.2152.2150.5-49.6126.99600119.2S507 P508 G509S507-E1260 VanDerWaalsContact C-CD 3.47Å; S507-E1260 VanDerWaalsContact C-OE2 3.26Å; S507-E1260 WeakPolarHBondContact CB-O 3.46Å; S507-E1260 PolarHBondContact N-OE2 3.35Å; S507-E1260 VanDerWaalsContact N-OE2 3.1Å; P508-E1260 VanDerWaalsContact C-OE1 3.32Å; P508-E1260 WeakPolarHBondContact CD-O 3.4Å; G509-E1260 PolarHBondContact N-OE1 3.46Å
1261G30.9Very low35.1Very low59 Ų59136.3 Ų136.361%0.60873%0.727SS**  89.5146.410600000122.1P508P508-G1261 WeakPolarHBondContact O-CA 3.23Å
1262R34.9Very low35Very low132 Ų132134.6 Ų134.650%0.49872%0.723SS.*  trans68.3121.6164.1-72.2-171.3-174.1152.78.9120.3P508 G509 N510P508-R1262 HydrophobicContact CB-CG 4Å; P508-R1262 HydrophobicContact CG-CB 3.66Å; P508-R1262 HydrophobicContact CG-CG 3.59Å; G509-R1262 VanDerWaalsContact O-CZ 3.32Å; G509-R1262 PolarHBondContact O-NE 3.45Å; G509-R1262 PolarHBondContact O-NH2 3.3Å; N510-R1262 PolarHBondContact OD1-NE 3.5Å
1263R36.2Very low34.9Very low207 Ų207134.2 Ų134.278%0.78172%0.72SS**  trans78.6142.8140.6-66.4167.3-178.3-163.51.7116.6
1264R35.1Very low34.9Very low219 Ų219135.4 Ų135.483%0.82672%0.719SS**  cis178.6159.3-23.7-120.5-178.4-173.4-175.8-0.6105.7
1265R36.8Very low35.1Very low232 Ų232130.2 Ų130.288%0.87571%0.709SS**  trans79.8120.5175.5-51170.2177.1179.5-2.8112.3
1266R37.9Very low35.4Very low240 Ų240131.1 Ų131.191%0.90671%0.705SS**  cis74.9150.443.3-77.2-163.6175.5-170.1-0.3113.7
1267P42Very low35.3Very low103 Ų103133 Ų13367%0.66970%0.695SS**  cis-140164.7-8.231.9-11.6000117.7
1268S34.2Very low35.2Very low105 Ų105134.6 Ų134.673%0.73470%0.696SS**  trans66.3170.2140.3-72.70000119.2
1269P41.1Very low35.2Very low106 Ų106137 Ų13769%0.68871%0.706SS**  cis-113.8137.3-0.59.316.1000114
1270N35.4Very low34.9Very low133 Ų133139.5 Ų139.571%0.71172%0.723SS**  100.9139.496.6-78.77.2000112.6
1271L36Very low34.8Very low138 Ų138142.4 Ų142.472%0.72374%0.741SS**  cis-139.6148.4-2.1-81.2117.9000111.5
1272L33.7Very low34.8Very low152 Ų152144.1 Ų144.180%0.79674%0.743SS**  trans53.5128.3153.5-81.845.2000119.8
1273S31.2Very low34.5Very low98 Ų98144.3 Ų144.369%0.68576%0.759SS**  cis77.3138.536.7-156.70000112.6
1274T34.8Very low34.3Very low110 Ų110140.2 Ų140.268%0.67576%0.762SS**  cis-154.8130.320.2-27.50000107.3
1275N35.8Very low34Very low127 Ų127134.7 Ų134.768%0.67976%0.757SS**  51.5125.979.2-81.739.7000116.8
1276N34.6Very low33.7Very low151 Ų151128.6 Ų128.681%0.80775%0.75SS**  trans15695.2142.1-79.2-9.9000108.2
1277D32.3Very low33.5Very low124 Ų124125.4 Ų125.466%0.66375%0.75SS**  75.3113.864.7-73.9-47000116.8
1278T31.6Very low33.1Very low126 Ų126124.7 Ų124.777%0.77375%0.753SS**  trans62.2111.514660.90000122
1279M33.5Very low33Very low182 Ų182124.9 Ų124.990%0.89775%0.754SS**  trans-164.8112.6137.3-88.7-62-17400105.6
1280A29.1Very low32.9Very low90 Ų90127.4 Ų127.474%0.74476%0.76SS**  cis8248.349.300000115.9
1281L34.1Very low33.1Very low157 Ų157126.3 Ų126.382%0.82276%0.759SS**  trans-137.2114.9164.7-69.5178000107.7
1282S31.3Very low33.1Very low94 Ų94128.1 Ų128.166%0.65776%0.763SS**  8499.365.977.10000114.4
1283V28.6Very low33.6Very low137 Ų137127.5 Ų127.583%0.8377%0.766SS**  trans49.2111.5149.2-168.40000118.6
1284S31.1Very low33.8Very low120 Ų120131.4 Ų131.484%0.83980%0.804SS**  -167.5156.9121.5-850000112.9
1285S28.1Very low33.7Very low103 Ų103132.5 Ų132.572%0.7281%0.81SS**  trans-86.7179.5176.252.40000112.7
1286S31.3Very low33.6Very low105 Ų105132.8 Ų132.873%0.73482%0.817SS**  trans60.2100.4164.252.20000117.9
1287L34.5Very low33.6Very low173 Ų173131.8 Ų131.891%0.90682%0.818SS**  -144.5149.9114.4-140.471.7000110.3
1288A33Very low33.6Very low87 Ų87132.2 Ų132.272%0.71983%0.827SS**  trans-126.4161.417100000108.4
1289S33Very low33.8Very low110 Ų110132.6 Ų132.677%0.76983%0.83SS**  trans64.9112.2-179.9-171.60000115.7
1290I38.5Very low33.8Very low159 Ų159129.3 Ų129.382%0.81583%0.826SS**  -156.5145.8127.9-106.2157.5000109.7
1291T39.9Very low34.1Very low110 Ų110132.1 Ų132.168%0.67583%0.832SS**  trans-39.8137.7-173.149.90000119.4
1292E36Very low34.1Very low175 Ų175130.2 Ų130.282%0.81883%0.832SS**  48.3121.7114.6-156.6172.1-154.200120.4
1293V43.4Very low34.3Very low140 Ų140133.3 Ų133.385%0.84885%0.847SS**  164.2100.8127160.20000108.4
1294A34.8Very low34.9Very low180 Ų180132.9 Ų132.9100%1.48885%0.848SS**  trans-174.10161.500000109.6

Retrieved 1,294 of 1,294 residues in 568.9 ms (Link to these results)