A0A096MUI8_PAPAN Loading...

Transcription factor SOX-30

Acts both as a transcriptional activator and a repressor. Binds to the DNA sequence 5'-ACAAT-3' and shows a preference for guanine residues surrounding this core motif. Binds to its own promoter and activates its own transcription. Required to activate the expression of postmeiotic genes involved in spermiogenesis. Binds to the promoter region of CTNNB1 and represses its transcription which leads to inhibition of Wnt signaling. Also inhibits Wnt signaling by binding to the CTNNB1 protein, preventing interaction of CTNNB1 with TCF7L2/TCF4.

AlphaFold DB , UniProt , Accession A0A096MUI8, Species PAPAN (Papio anubis, Olive baboon), Gene SOX30, Length 753 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
1M47.6Very low47.5Very low250 Ų250169.4 Ų169.4100%1.23287%0.868SS**  0120.70-73.8163.7117.500107.4
2E40.3Very low47.1Very low202 Ų202171.1 Ų171.194%0.94487%0.869SS**  trans-133.6147.8159.6-157.5177.5160.800107.4
3R39.3Very low47.1Very low239 Ų239176 Ų17690%0.90287%0.871SS**  trans-104.6107.5-155.9-158.2179.2-159.7165.84.6110.2R5R3-R5 PolarHBondContact O-N 2.88Å
4A44.5Very low47Very low99 Ų99172.6 Ų172.682%0.81887%0.868SS**PPolyproline II helixtrans-55.9128.5176.700000110.9
5R51.3Low47.1Very low235 Ų235172.5 Ų172.589%0.88787%0.87SS**PPolyproline II helixtrans-84.5131.3176.7-164.2-178.3-163.2178.75.3108.4R3R3-R5 PolarHBondContact O-N 2.88Å
6P47Very low47.1Very low119 Ų119176.6 Ų176.677%0.77387%0.871SS**PPolyproline II helixtrans-68.8144.617728.8-34.4000111
7E51.1Low47Very low182 Ų182173.1 Ų173.185%0.8587%0.865SS**PPolyproline II helixtrans-72.9153167.6-89-148.5122.500111.8
8P55.4Low47.4Very low104 Ų104168.2 Ų168.268%0.67586%0.856SS**PPolyproline II helixtrans-74.7149.7167.433.4-34.1000111.2
9P55.4Low47.6Very low115 Ų115166.2 Ų166.275%0.74786%0.856SS**PPolyproline II helixtrans-68.7152.917629.6-35.3000112.1Q11P9-Q11 PolarHBondContact O-N 2.68Å
10P47.3Very low47.8Very low126 Ų126166.1 Ų166.182%0.81886%0.856SS**PPolyproline II helixtrans-67133.2-178.427.4-34.9000112
11Q43.1Very low48Very low192 Ų192163.8 Ų163.890%0.89785%0.851SS**PPolyproline II helixtrans-70.4135.3174.9-69.2-174.7-13.200111.5P9P9-Q11 PolarHBondContact O-N 2.68Å
12Q42.9Very low48Very low190 Ų190159.5 Ų159.589%0.88883%0.833SS**PPolyproline II helixtrans-70.7133.6171.8-66.9-179.6-13.300110.2
13R47.3Very low48.2Very low235 Ų235155.8 Ų155.889%0.88783%0.826SS**PPolyproline II helixtrans-74.5140.2170.7-64.4-179.1-175.6167.11.5109.6
14P46Very low48.9Very low128 Ų128151.1 Ų151.183%0.83182%0.824SS**PPolyproline II helixtrans-58.6139.4170.2-23.133.9000111.8
15L47.3Very low48.5Very low171 Ų171155.9 Ų155.990%0.89583%0.829SS**PPolyproline II helixtrans-71.5138.4172.4-73.8166.4000110.3
16R48Very low47.7Very low238 Ų238148 Ų14890%0.89882%0.821SS**PPolyproline II helixtrans-76.8128.9175.6-159.8-175.9-155.7-176.16.6108.9
17P45.9Very low47Very low117 Ų117149 Ų14976%0.7683%0.825SS**PPolyproline II helixtrans-68148.9176.728.2-34.3000111.4
18A52.8Low46.2Very low86 Ų86146 Ų14671%0.71182%0.819SS**PPolyproline II helixtrans-79.1152.8172.500000111.2
19P52.3Low45.1Very low130 Ų130150 Ų15084%0.84483%0.827SS**PPolyproline II helixtrans-69.8146.8176.629.7-34.9000112
20L50.7Low44Very low164 Ų164155.6 Ų155.686%0.85983%0.833SS**PPolyproline II helixtrans-83.2150.1173.9-69.1169.1000111.2
21P51.7Low43.2Very low117 Ų117154.1 Ų154.176%0.7683%0.831SS**PPolyproline II helixtrans-76.515517433-35.3000112.1
22L48.2Very low42.7Very low161 Ų161149.9 Ų149.984%0.84383%0.829SS**PPolyproline II helixtrans-89.6153.6169.5-69.5174.9000110.9
23P45.6Very low42.2Very low124 Ų124145.4 Ų145.481%0.80583%0.825SS**PPolyproline II helixtrans-78.5164.2-167.931.8-37.1000114.5
24V52.2Low41.7Very low140 Ų140141 Ų14185%0.84882%0.823SS**  trans-133.2118.5178.9178.50000110.7
25E36.8Very low41.1Very low199 Ų199143.4 Ų143.493%0.9382%0.823SS**  trans-149.7140.7163.7-61.6-175.1144.900106
26G34.7Very low40.9Very low69 Ų69139.9 Ų139.971%0.71181%0.811SS**  cis-152.3-171.6-1600000106.7
27T32.5Very low41.1Very low141 Ų141134.3 Ų134.387%0.86581%0.806SS**  cis-154.9150.66-61.50000108.2
28T33.8Very low41.1Very low120 Ų120134.9 Ų134.974%0.73681%0.809SS**  trans-65.6149.9-178.5-30.40000114.2
29F32.4Very low40.4Very low188 Ų188136.2 Ų136.283%0.82581%0.813SS**  -162.6156.3129.6-104.1-69.1000112.5
30W32.3Very low40.1Very low232 Ų232135.4 Ų135.488%0.87981%0.808SS**  trans-29.4145.6-169-64.87.1000119.9
31A31.6Very low40.1Very low95 Ų95133.5 Ų133.579%0.78581%0.805SS**  cis94.4107.628.200000116.8
32A32.3Very low39.2Very low103 Ų103134.6 Ų134.685%0.85181%0.81SS**  trans-173.2152.8150.200000114.1
33A31.7Very low38.6Very low96 Ų96135.3 Ų135.379%0.79381%0.814SS**  trans58.295.8150.800000123.4
34V37.6Very low37.9Very low141 Ų141134.7 Ų134.786%0.85581%0.813SS**  12.3120.5125.7-1750000120.5
35E32.6Very low37Very low179 Ų179132.1 Ų132.184%0.83681%0.806SS**  -172.7164.8119.7-103.8-113.5104.500112.1
36P44.2Very low36.7Very low98 Ų98127.4 Ų127.464%0.63680%0.801SS**  trans-106.3-168.3-175.243.8-31.3000112.6
37P52.1Low36.5Very low121 Ų121128.2 Ų128.279%0.78680%0.801SS**  trans-98.6168.4-149.639.7-39.6000116.7
38P44.1Very low36.3Very low128 Ų128127 Ų12783%0.83180%0.799SS**  trans-133.7152.5148.238.2-26.1000115.7
39S39.5Very low36.2Very low115 Ų115126.1 Ų126.180%0.80480%0.803SS**  trans-161.2155162.864.30000108.4
40P44.9Very low36.1Very low112 Ų112123.2 Ų123.273%0.72780%0.801SS**  cis-118.4-174.1-7.742.5-30.1000111.8
41P51.3Low36.2Very low124 Ų124120 Ų12081%0.80580%0.8SS**  trans-99.3126.8168.434.5-28.9000113.4
42T31.9Very low36Very low140 Ų140120.3 Ų120.386%0.85980%0.802SS**  trans-120.4134.6156.844.90000108.8
43L37.5Very low36Very low177 Ų177121.1 Ų121.193%0.92780%0.802SS**  trans-101.9144.8-177.1-94.1165.1000113
44S30.4Very low36Very low111 Ų111121.5 Ų121.578%0.77680%0.799SS**  trans-145.6165.3171.882.90000106.9
45A32.5Very low35.8Very low86 Ų86121 Ų12171%0.71180%0.8SS**  cis-158.4-179.61.900000108.8
46A30.8Very low35.6Very low100 Ų100115.9 Ų115.983%0.82680%0.795SS**  trans66.8160.2155.100000118.2
47A30.1Very low35.1Very low85 Ų85120.1 Ų120.170%0.70281%0.806SS**  cis-170.6171.6-29.200000110
48S29.1Very low34.1Very low117 Ų117118.7 Ų118.782%0.81881%0.805SS**  trans105.3142.1148.1-44.90000120.6
49A30.3Very low33.5Very low101 Ų101118.6 Ų118.684%0.83580%0.802SS**  trans81.1154150.500000120.5
50T32Very low33.3Very low127 Ų127117 Ų11778%0.77980%0.796SS**  trans-154.5161.8-158.4-35.30000111.1
51L33.3Very low32.7Very low165 Ų165118 Ų11886%0.86481%0.805SS**  trans81.8116.3163.2-55.3177.2000119.3
52A28.4Very low31.6Very low100 Ų100116 Ų11683%0.82681%0.807SS**  145.2136.2126.900000110.8
53S32.7Very low31.6Very low120 Ų120117.3 Ų117.384%0.83981%0.808SS**  cis144.4120.7-15172.30000107.1
54S31.7Very low32.6Very low104 Ų104114.1 Ų114.173%0.72780%0.798SS**  trans170.3138.7137.6-163.40000112.6
55C31.5Very low33.6Very low131 Ų131114 Ų11489%0.88580%0.795SS**  trans54.3142.8164.7-61.60000120.1
56G28.8Very low33.6Very low71 Ų71114.2 Ų114.273%0.73280%0.796SS**  cis176.5142.7-6.900000112.7
57E34.4Very low33.5Very low187 Ų187115.6 Ų115.687%0.87479%0.794SS**  trans-50167.4-178.4-69.5150.680.100116.4
58A31.1Very low33.5Very low92 Ų92121.7 Ų121.776%0.7680%0.799SS**  cis-171.9176.541.800000111.1
59V31.3Very low33.5Very low126 Ų126124.3 Ų124.376%0.76480%0.798SS**  cis-170.2154.1-15119.40000111.9
60A34.6Very low33.3Very low82 Ų82125.8 Ų125.868%0.67879%0.791SS**  trans60.2129.5155.900000125.9
61S33.2Very low33Very low131 Ų131126.2 Ų126.292%0.91679%0.788SS**  trans69131.9131.7-61.90000123.9
62G27.8Very low32.7Very low82 Ų82126 Ų12685%0.84578%0.782SS**  trans161.8100.7158.200000118
63L31.6Very low32.5Very low168 Ų168127 Ų12788%0.8878%0.778SS**  trans-92.9178.3157.3-85.2163.5000109.3
64P58.8Low32.6Very low110 Ų110126.8 Ų126.871%0.71476%0.762SS**  cis-122-125.1-28.633.1-9.7000107.6
65P52Low33.1Very low110 Ų110127.2 Ų127.271%0.71476%0.762SS**  cis-117.1176.7-28.533.5-11.2000112.9
66A32.4Very low33.4Very low89 Ų89127.6 Ų127.674%0.73675%0.751SS**  58.2146.861.300000114.6
67V28.4Very low33.3Very low129 Ų129132.3 Ų132.378%0.78275%0.754SS**  cis-157.2174.10.295.40000112.8
68R30.1Very low33Very low213 Ų213129 Ų12980%0.80475%0.747SS**  trans-43169.1176.4-50.8153.995.8170.59.3117.6
69Q28.8Very low32.8Very low172 Ų172132.2 Ų132.280%0.80475%0.75SS**  trans86.8149.8164.9-56.8-174.1-3.200115.6
70L27Very low32.7Very low132 Ų132133.2 Ų133.269%0.69175%0.751SS**  cis-148.1-173.1-0.7-148.673.4000111
71L24.9Very low32.4Very low137 Ų137136.8 Ų136.872%0.71776%0.757SS**  trans-1.7151.7159.6-9257.4000119.8
72Q27.4Very low32.6Very low159 Ų159136 Ų13674%0.74375%0.749SS**  cis177.8175.9-13177.4170.52.500107.4
73V24.8Very low32.6Very low122 Ų122140.7 Ų140.774%0.73975%0.749SS**  trans89.9135165.6-168.70000115.9
74K34.6Very low32.9Very low116 Ų116138.6 Ų138.650%0.50475%0.746SS.*  trans-90.8165.3174.2-66.5-172.4175.2-172.50111.6
75P41Very low31.4Very low112 Ų112142 Ų14273%0.72775%0.752SS**  -135.7-177.497.734.4-20.7000113.8
76E37.5Very low30.2Very low139 Ų139142.2 Ų142.265%0.6575%0.751SS**  trans-86156.6-179.3-53.9-176.4138.500113.1
77Q28Very low29.9Very low170 Ų170149.3 Ų149.379%0.79476%0.759SS**  175.3143.1106.2-92.2-177.317.100113.9
78V26.8Very low30Very low118 Ų118150.1 Ų150.172%0.71576%0.759SS**  trans41123.3136.4-177.10000120.9
79L27.8Very low30.1Very low160 Ų160148.6 Ų148.684%0.83876%0.761SS**  -164.3164.8111.5-151.857.5000113.6
80L28.7Very low30.1Very low147 Ų147148.7 Ų148.777%0.7776%0.761SS**PPolyproline II helixtrans-78160.2-165.1-7771.9000116.9
81L28.2Very low30.3Very low156 Ų156146.2 Ų146.282%0.81776%0.76SS**PPolyproline II helixtrans-90.4140.3150.2-175.278.2000109.7
82P38.7Very low30.5Very low114 Ų114144.4 Ų144.474%0.7476%0.764SS**PPolyproline II helixtrans-93.7142.617534.9-32.3000113.6
83Q27.5Very low30.7Very low181 Ų181141.5 Ų141.585%0.84677%0.768SS**  trans-131.5149.7155.8-94.9-164.6-23.300110
84P37.5Very low31Very low125 Ų125140.9 Ų140.981%0.81277%0.769SS**  trans-80155.7-17832.7-35000113.5
85Q27Very low31.6Very low182 Ų182140.9 Ų140.985%0.8578%0.781SS**  trans-80.3176.9175.8-50.4161.5-24.700110.2
86T27.9Very low31Very low113 Ų113139.3 Ų139.369%0.69378%0.777SS**  cis-144.4159.210.943.60000110.7
87R26.2Very low30.7Very low239 Ų239141.6 Ų141.690%0.90279%0.788SS**  -159.6157.9127.2-130.5177.6177.7167.9-0.5112.4
88D29Very low31Very low146 Ų146137.7 Ų137.778%0.78178%0.784SS**  trans-92.8176.7-158.9-49.9-90.9000115.2
89E32.6Very low31.5Very low181 Ų181142.5 Ų142.585%0.84679%0.79SS**  trans-80.7173.5-179.8-95.3-150.79800115.5
90E28.8Very low31.7Very low174 Ų174140.7 Ų140.781%0.81378%0.78SS**  trans81.5137.7146.5-96.9-157.1120.500123.1
91A31.1Very low32.2Very low80 Ų80140.1 Ų140.166%0.66178%0.777SS**  trans72.5106.7137.400000122
92A29.9Very low32.7Very low98 Ų98139.1 Ų139.181%0.8177%0.768SS**  82.1145.912200000122.3
93A31.4Very low32.3Very low98 Ų98142 Ų14281%0.8177%0.77SS**  trans69.7116.8150.400000121.3
94S31.2Very low32.9Very low109 Ų109142.5 Ų142.576%0.76276%0.764SS**  trans-50.4147.8143.3-166.10000110.2
95P46.2Very low33.7Very low117 Ų117142.1 Ų142.176%0.7676%0.761SS**  -156.4173.253.744-22.3000120.9
96A28.8Very low34.3Very low79 Ų79138 Ų13865%0.65375%0.745SS**  trans15.6124.4144.700000123.1
97Q31.8Very low34.6Very low187 Ų187139.4 Ų139.487%0.87475%0.748SS**  trans73.7149.2130.9-65.1-177.614.300122.5
98A33.8Very low35Very low87 Ų87138.5 Ų138.572%0.71974%0.744SS**  trans77.9146153.400000118.5
99R37.3Very low35.2Very low220 Ų220137.9 Ų137.983%0.8374%0.74SS**  cis-168.3152.1-10.6-117.9-178164.6-162.4-1.9112.9
100L33.3Very low35Very low122 Ų122136.4 Ų136.464%0.63974%0.737SS**  trans76.6133.3141.8-106.571000124.7
101L38.4Very low35.5Very low134 Ų134133.4 Ų133.470%0.70273%0.733SS**  trans68.6145.2150.9-53.1-174.5000118.4
102Q39.5Very low36.2Very low136 Ų136134.9 Ų134.964%0.63674%0.736SS**  cis-157.4-177.74.8-125.4164.2-2.200108.9
103F29Very low36.7Very low175 Ų175136.4 Ų136.477%0.76874%0.737SS**  cis-145.8-101.58.5-142.7-41.9000114.6
104R41.4Very low36.5Very low190 Ų190137.1 Ų137.172%0.71774%0.736SS**  trans-170.6-178.3-171.6-116.5-168.5178.5-144.12.1109.9D106R104-D106 WeakPolarHBondContact CD-OD2 3.45Å; R104-D106 IonicContact CZ-OD1 2.85Å; R104-D106 IonicContact CZ-OD2 3.76Å; R104-D106 IonicContact NE-OD2 3.9Å; R104-D106 IonicContact NH1-OD1 2.69Å; R104-D106 PolarHBondContact NH1-OD1 2.76Å; R104-D106 IonicContact NH1-OD2 2.68Å; R104-D106 PolarHBondContact NH1-OD2 3.14Å
105P54.4Low36.5Very low118 Ų118136.8 Ų136.877%0.76674%0.741SS**  cis-134-150.922.346.7-27.7000112.6
106D38.4Very low35.7Very low96 Ų96136.2 Ų136.251%0.51374%0.739SS.*  -148.5-170.4-61.8-111.5-85000110.6R104R104-D106 WeakPolarHBondContact CD-OD2 3.45Å; R104-D106 IonicContact CZ-OD1 2.85Å; R104-D106 IonicContact CZ-OD2 3.76Å; R104-D106 IonicContact NE-OD2 3.9Å; R104-D106 IonicContact NH1-OD1 2.69Å; R104-D106 PolarHBondContact NH1-OD1 2.76Å; R104-D106 IonicContact NH1-OD2 2.68Å; R104-D106 PolarHBondContact NH1-OD2 3.14Å
107L34.4Very low35.7Very low141 Ų141141.5 Ų141.574%0.73875%0.75SS**  trans85.8110.5169.9-50.6179000115.6
108R33.8Very low35.5Very low220 Ų220136.2 Ų136.283%0.8375%0.746SS**  91.3140.357.7-78.6-178.1177.1-162.40.4112
109L32.9Very low35.5Very low134 Ų134136.7 Ų136.770%0.70275%0.75SS**  cis-156.716614.7-157.769.5000113.3
110L29.3Very low35.6Very low150 Ų150132.4 Ų132.479%0.78575%0.751SS**  trans94.6147.9157.9-62.2-179.7000120.2
111P39.5Very low35.4Very low110 Ų110131.7 Ų131.771%0.71476%0.756SS**  trans-133.1178.8-140.240.5-20.5000116.3
112P45Very low35.1Very low112 Ų112134.7 Ų134.773%0.72776%0.758SS**  trans-98.9177.3-176.440.3-36.7000114
113P40.1Very low35.1Very low129 Ų129133.9 Ų133.984%0.83877%0.765SS**  trans-98.8138.4162.635.7-29.1000112.7
114S29.1Very low35.2Very low113 Ų113132.2 Ų132.279%0.7976%0.759SS**  trans-157.3152.4162.758.20000112.2
115A30.3Very low34.6Very low103 Ų103131.7 Ų131.785%0.85177%0.77SS**  trans65.4130.8168.700000120.2
116S30.2Very low33.4Very low104 Ų104134.5 Ų134.573%0.72777%0.772SS**  trans142.998.6154-169.80000106.9
117E27.8Very low33.5Very low190 Ų190135.2 Ų135.289%0.88878%0.782SS**  86.2138.768.8-175178.6-156.800112.1
118G28.5Very low33.1Very low76 Ų76135 Ų13578%0.78479%0.786SS**  trans116.5111.9176.400000115.6
119A32.5Very low33.3Very low97 Ų97131 Ų13180%0.80278%0.777SS**  trans-86158.5153.200000108.7
120P40.5Very low33.4Very low131 Ų131131.2 Ų131.285%0.85179%0.786SS**  -147.8-165.675.539.8-20.1000115.1
121S28.2Very low33.3Very low107 Ų107133.8 Ų133.875%0.74879%0.785SS**  trans-85.7143.5-171.755.30000116.7
122R32.7Very low32.7Very low197 Ų197132.3 Ų132.374%0.74378%0.782SS**  trans34.1127.3136.7-147.6-170.6164.2159.1-6.9119.2E124R122-E124 IonicContact CZ-OE1 2.65Å; R122-E124 IonicContact NH2-OE1 2.79Å; R122-E124 PolarHBondContact NH2-OE1 3.19Å
123P38.2Very low32Very low119 Ų119133.8 Ų133.877%0.77378%0.784SS**  -118.6142.490.2-4.125000112.1
124E31.9Very low31.5Very low140 Ų140134.1 Ų134.165%0.65477%0.774SS**  52.3116.787.7-63.8-124.9121.600116.9R122R122-E124 IonicContact CZ-OE1 2.65Å; R122-E124 IonicContact NH2-OE1 2.79Å; R122-E124 PolarHBondContact NH2-OE1 3.19Å
125L28Very low31.3Very low179 Ų179136.5 Ų136.594%0.93777%0.77SS**  -171.8119.9128.5-101.4169.1000111.8
126H29.2Very low31.1Very low177 Ų177140.4 Ų140.482%0.81977%0.768SS**  trans-82.1175.5149.9-90.7-59.2000108.5
127P41.7Very low31Very low110 Ų110140.1 Ų140.171%0.71477%0.772SS**  cis-138.7-156.312.126.80.4000114.3
128V26.3Very low30.8Very low137 Ų137139.9 Ų139.983%0.8377%0.768SS**  trans98.6143.2154.9-169.50000117.7
129Q36.7Very low30.8Very low137 Ų137145 Ų14564%0.6477%0.769SS**  trans-86.9177.4-174.6-57.3172.2-14.500112
130P34.8Very low30.4Very low138 Ų138147.4 Ų147.490%0.89676%0.763SS**  -112.2149.3117.332.1-34.6000112.5
131R27.6Very low29.9Very low203 Ų203148.2 Ų148.277%0.76676%0.756SS**  trans-131.7131.1-169.4-161.6-171.5-169.8-171.45.1110.4
132A28.2Very low30Very low79 Ų79150.8 Ų150.865%0.65376%0.76SS**  trans65178.3163.800000114.1
133L28.7Very low29.6Very low143 Ų143144.3 Ų144.375%0.74975%0.754SS**  cis-126.8133.713.5-94.8101.4000111.7
134H30.8Very low29.9Very low137 Ų137145.3 Ų145.363%0.63476%0.761SS**  64156.397.8-74.9-127.5000114.6
135F25.1Very low29.7Very low163 Ų163141.8 Ų141.872%0.71576%0.762SS**  cis-148.3-177.85.8-113.9-48.1000105.6
136K25.5Very low29.8Very low184 Ų184141.7 Ų141.780%0.876%0.762SS**  cis-161.7138.524.5-144.9163.4-172.21700111.1
137A27.2Very low29.8Very low98 Ų98140.7 Ų140.781%0.8176%0.762SS**  trans-132.5142.7152.600000107.3
138K23.6Very low30.2Very low185 Ų185140.8 Ų140.880%0.80476%0.763SS**  trans-108136.6-176.1-169.8-174.1175.2-1650110.7
139K30.1Very low30.3Very low185 Ų185139.3 Ų139.380%0.80476%0.759SS**  trans-113.4155.6173.7177.2-177.4174.2-172.50110.1
140Q24.3Very low30Very low147 Ų147138.8 Ų138.869%0.68777%0.765SS**  trans-151.2106.8156.2-153.3154.60.600104.9
141E30.1Very low29.6Very low148 Ų148135.2 Ų135.269%0.69275%0.753SS**  67.9140.898.4-66.1-173.7131.900112.9
142L28.4Very low30.6Very low161 Ų161130.6 Ų130.684%0.84375%0.749SS**  cis-143173.130-160.968.7000111.7
143G24.1Very low30.8Very low60 Ų60138.5 Ų138.562%0.61976%0.762SS**  trans-107.3-154.1166.100000111.7
144P46.2Very low30.7Very low141 Ų141135.6 Ų135.692%0.91677%0.767SS**  cis-133.4-169.1-8.942.9-26.6000113.4
145G26.7Very low30.7Very low66 Ų66132.3 Ų132.368%0.6877%0.77SS**  trans149.1110.2149.900000120.9
146L30.1Very low30.9Very low176 Ų176130.6 Ų130.692%0.92177%0.773SS**  trans61109.3138.5-54.9179000123
147D29.1Very low31.1Very low156 Ų156129.9 Ų129.983%0.83477%0.772SS**  trans-68.8175.6137.2-87.5-53.2000111.3
148P49.7Very low31.3Very low113 Ų113131.8 Ų131.873%0.73477%0.774SS**  cis-139.8-174.412.433.8-10.8000117.1
149S28.4Very low31.7Very low105 Ų105126.2 Ų126.273%0.73477%0.769SS**  119.8157.9122.7-1490000120.5
150V30.3Very low32.2Very low126 Ų126123 Ų12376%0.76477%0.767SS**  trans65.199.8164.9-1640000119.4
151G28.2Very low32.5Very low64 Ų64127.3 Ų127.366%0.6678%0.777SS**  -91.4174.8127.400000109.6
152P47.6Very low32.3Very low105 Ų105124 Ų12468%0.68278%0.775SS**  -156.8-175.658.143.3-23000117.2
153R31.7Very low32.4Very low246 Ų246121.6 Ų121.693%0.92877%0.772SS**  trans67154.3168.7-52.9173.1-166.6-82.2-1.4113.6
154G28.1Very low32.7Very low82 Ų82130.2 Ų130.285%0.84579%0.786SS**  cis156.3148.3100000106
155G30Very low31.8Very low67 Ų67129.8 Ų129.869%0.69178%0.78SS**  cis149.8168.316.400000106.5
156V30.2Very low31.9Very low128 Ų128132.8 Ų132.878%0.77679%0.785SS**  trans68.595.7174.2-1760000114.6
157E29.9Very low31.8Very low169 Ų169132.6 Ų132.679%0.7978%0.777SS**  69.1124.4104.9-63.7-168.1111.500117.3
158T30.7Very low31.8Very low137 Ų137133 Ų13384%0.8478%0.778SS**  -179.9148.497.528.40000111
159G31.7Very low30.8Very low69 Ų69135.8 Ų135.871%0.71178%0.781SS**  trans-92.8-161.6160.800000111
160P41.8Very low30.8Very low117 Ų117134.1 Ų134.176%0.7678%0.781SS**  cis-140.6-161.69.541.9-21.3000114.3
161R28.6Very low31.5Very low237 Ų237134.4 Ų134.489%0.89479%0.785SS**  trans17.8152.6143.6-70.1177.2171.8-177.4-1.8121.2
162A26.8Very low31.6Very low80 Ų80134.4 Ų134.466%0.66179%0.785SS**  cis178.8162.5-15.600000110.3
163S31.2Very low31.3Very low110 Ų110136.1 Ų136.177%0.76980%0.796SS**  trans43.7110.7145.9-55.70000122.4
164R30.3Very low31.2Very low240 Ų240128.6 Ų128.691%0.90679%0.787SS**  trans-175.9134.5130.9-95.6148.4-171.2-138.21.3108.5
165V26.3Very low31.3Very low132 Ų132133 Ų13380%0.879%0.79SS**  cis91.515149.3169.20000112.4
166V28.6Very low31.2Very low129 Ų129132.9 Ų132.978%0.78279%0.789SS**  trans86.6120.5-170.8-172.80000112.5
167K28.4Very low30.9Very low172 Ų172136.9 Ų136.975%0.74879%0.792SS**  cis102.7112.315.7-173.4-164.3173.3-175.20114.6
168L30.1Very low30.8Very low165 Ų165136.9 Ų136.986%0.86479%0.79SS**  trans-156.3170.5139.3-146.455.8000111.9
169E27.2Very low30.7Very low171 Ų171142 Ų14280%0.79979%0.794SS**  trans-86.7166-173.2-48.5-174.5141.900111
170G29.7Very low30.4Very low71 Ų71141.8 Ų141.873%0.73279%0.791SS**  105.2159.653.200000109.6
171P43.9Very low29.8Very low132 Ų132142.7 Ų142.786%0.85779%0.79SS**  cis-121.4-168.41.242.9-28.7000113.7
172G30Very low30.1Very low64 Ų64138.6 Ų138.666%0.6678%0.781SS**  trans-87.5-176.5169.500000114.2
173P42.9Very low30.4Very low140 Ų140144.3 Ų144.391%0.90979%0.791SS**  -138.6-172.290.940.4-28.3000114.6
174A29.2Very low30.5Very low88 Ų88142.9 Ų142.973%0.72779%0.793SS**  trans-131.2179.1-171.500000113.2
175L29.3Very low30.3Very low174 Ų174140 Ų14091%0.91179%0.787SS**  trans73.4134.9-174.7-52.3157.5000112.8
176G28Very low30.6Very low66 Ų66140.7 Ų140.768%0.6879%0.786SS**  cis116.7139.8-1.200000112.5
177Y24.9Very low30.6Very low211 Ų211142.1 Ų142.183%0.82778%0.784SS**  trans177.7133.6147.5-117-116.4000112.7
178F27.2Very low30.8Very low170 Ų170137.6 Ų137.675%0.74678%0.779SS**  trans29.7149.8143.2-76-99.4000125.4
179R27.8Very low30.9Very low244 Ų244138.4 Ų138.492%0.92178%0.778SS**  trans81.1139.5153.9-153-173.1-53.1-105.13.7115.2
180G25.4Very low31Very low64 Ų64136.5 Ų136.566%0.6677%0.769SS**  cis163.3176.8-9.500000112.6
181N30.9Very low31.1Very low136 Ų136138.5 Ų138.573%0.72777%0.767SS**  trans74.5125.5168.7-108.555.9000121.3
182E34.8Very low30.6Very low152 Ų152138.3 Ų138.371%0.7176%0.756SS**  trans9.9130.6130.8-46.2176109.800119.3
183K31.5Very low30.9Very low200 Ų200145.4 Ų145.487%0.8776%0.763SS**  -171.4155.791-95.9175.9-177.4-177.70110.9
184G34.2Very low30.3Very low80 Ų80145.6 Ų145.683%0.82576%0.757SS**  trans-88.9169.8169.100000112.3
185K27.1Very low30.6Very low179 Ų179145.5 Ų145.578%0.77876%0.755SS**  trans-138.4149.7161.1-149.3-152.1169.1-131.50110.5E187K185-E187 IonicContact NZ-OE2 3.12Å; K185-E187 PolarHBondContact NZ-OE2 2.79Å
186L32Very low30.8Very low146 Ų146145.3 Ų145.376%0.76475%0.752SS**  trans-95.7-175.6175.6-64.7164.3000110.8
187E27.7Very low31Very low159 Ų159151.4 Ų151.474%0.74376%0.76SS**  trans78.5152161.4-55.9159.8159.100117.1K185K185-E187 IonicContact NZ-OE2 3.12Å; K185-E187 PolarHBondContact NZ-OE2 2.79Å
188A32.5Very low31.1Very low78 Ų78145.2 Ų145.265%0.64576%0.76SS**  cis-175.8157.5-27.500000108.2
189E32Very low31.1Very low181 Ų181140.3 Ų140.385%0.84676%0.757SS**  trans62.6157.8149.8-80.2-168.3150.200119.7
190E30.8Very low31.2Very low132 Ų132137.1 Ų137.162%0.61776%0.759SS**  cis-166.3-170.1-18.5-166.7-123.4132.600108.4M192E190-M192 VanDerWaalsContact OE1-CE 3.31Å; E190-M192 WeakPolarHBondContact OE1-CE 3.47Å
191V30.6Very low31.4Very low112 Ų112137.3 Ų137.368%0.67976%0.761SS**  trans75.9140.5161.2-176.70000119.1
192M33.2Very low31.7Very low129 Ų129141.4 Ų141.464%0.63577%0.772SS**  cis-177.5164.3-33.6-149.2-174.5-77.100110.4E190E190-M192 VanDerWaalsContact OE1-CE 3.31Å; E190-M192 WeakPolarHBondContact OE1-CE 3.47Å
193R36.7Very low31.6Very low212 Ų212139.4 Ų139.480%0.878%0.775SS**  trans76148.4153.5-72.1-165.5-61.9-165.6-0120.9
194D31.5Very low32.5Very low145 Ų145136 Ų13678%0.77577%0.773SS**  cis-169.6171.2-25.7-138.7-37.1000113.5
195A35.2Very low32.1Very low85 Ų85136.6 Ų136.670%0.70277%0.771SS**  trans72.1155.6156.200000119.2
196M33.3Very low32.2Very low170 Ų170133.8 Ų133.884%0.83777%0.769SS**  cis-156.6163.38.1-155.6-174.7171.200113.7
197K32.1Very low32.2Very low194 Ų194134.1 Ų134.184%0.84377%0.77SS**  trans73.3139.3171.1-64.7-176.6173.1-177.30116.3
198G26.3Very low32.3Very low82 Ų82137.7 Ų137.785%0.84578%0.776SS**  cis131.8141.4-0.900000111.5
199G27.4Very low32.2Very low66 Ų66142.9 Ų142.968%0.6879%0.787SS**  cis-171.7-168.70.100000110.8
200D30.4Very low32.1Very low177 Ų177137.8 Ų137.895%0.94778%0.783SS**  trans47.8135.6164.5-49.2-28000120.9
201G30.6Very low31.9Very low69 Ų69137.7 Ų137.771%0.71179%0.791SS**  cis145.9131.8-4.900000113.2
202K35.3Very low31.8Very low221 Ų221139.2 Ų139.296%0.96179%0.794SS**  trans-162.4166.9157.2-119.5149.7-171.7166.20113.9
203S32.5Very low31.6Very low110 Ų110141.9 Ų141.977%0.76980%0.802SS**  trans-119.3167.5-148.652.10000114.8
204P51.2Low31.2Very low129 Ų129137.4 Ų137.484%0.83880%0.798SS**  trans-104.3167-162.640.2-36.1000115.6
205A25.1Very low31Very low93 Ų93138.7 Ų138.777%0.76980%0.8SS**  trans-166.8179.715000000111.3
206T29.7Very low30.6Very low120 Ų120142.5 Ų142.574%0.73680%0.803SS**  -162.1161.4-74.7-44.90000107
207I31.9Very low30.5Very low153 Ų153140.2 Ų140.279%0.78580%0.801SS**  trans74.5131.3167.9-51.9164.7000112.9
208R30.9Very low30.1Very low233 Ų233139.7 Ų139.788%0.87980%0.802SS**  -154164.252.1-159.4171.5179.5-158.1-1.9114.7
209E30.2Very low30.4Very low188 Ų188147.1 Ų147.188%0.87980%0.804SS**  trans-81.9167.2-174.7-56.1150.7105.200115.9
210G28.7Very low30.2Very low73 Ų73151.5 Ų151.575%0.75381%0.811SS**  trans-169.451.2179.800000118.8
211V27.3Very low30.2Very low130 Ų130150.4 Ų150.479%0.78880%0.804SS**  trans57.698.6153.5-168.40000120.3
212I29.4Very low30.3Very low144 Ų144156.1 Ų156.174%0.73881%0.813SS**  34.1118.8121.9-52.9168.3000117
213K28.6Very low29.9Very low185 Ų185152.1 Ų152.180%0.80480%0.802SS**  -175.5160.569.3-138.7156.3-170.9178.40113.8
214T27.7Very low29.9Very low118 Ų118152.6 Ų152.672%0.72480%0.803SS**  trans6.2147.6144.8-54.40000120
215E26.3Very low28.9Very low173 Ų173154.8 Ų154.881%0.80880%0.795SS**  cis-179.4161.7-16.9-179.8165.5-149.400107.3
216E27.2Very low29.2Very low164 Ų164158.3 Ų158.377%0.76680%0.8SS**  trans45.1131.7169.2-166.1164.9-123.800121.8
217P31.8Very low29.1Very low123 Ų123159.3 Ų159.380%0.79980%0.801SS**  trans-11797.1166.337.2-23.7000113.9
218E24.7Very low28.9Very low183 Ų183155.8 Ų155.886%0.85580%0.795SS**  trans-73.7165.3156-78.6-146.8119.400111.5
219R30.9Very low28.8Very low238 Ų238153.1 Ų153.190%0.89879%0.792SS**  trans-110.7142.9-176-65.4178.1175.4173.1-1.7112
220L24.1Very low29.3Very low157 Ų157148.9 Ų148.982%0.82278%0.781SS**  trans-180122.4134.1-90.4161.2000104.9
221L29.6Very low29.3Very low154 Ų154149.9 Ų149.981%0.80678%0.783SS**  64.7108.567.9-149.9168.2000111.4
222E32.9Very low29.5Very low190 Ų190148 Ų14889%0.88878%0.775SS**  trans-79.1151.9-172.8-62.2160.4121.200112.8
223D28.2Very low29.6Very low137 Ų137148.8 Ų148.873%0.73378%0.78SS**  trans-142.8179.2-179.8-164.25.1000110.3
224C32.4Very low29.6Very low119 Ų119143.2 Ų143.280%0.80478%0.776SS**  trans95.389.6-169.9-63.80000113
225R30.1Very low29.6Very low175 Ų175145.3 Ų145.366%0.6678%0.782SS**  74.7129.662.9-70.1-175.4157.8-122.310.1115.5A228R225-A228 PolarHBondContact NH1-O 3.2Å
226L30.7Very low29.7Very low167 Ų167142.3 Ų142.387%0.87478%0.775SS**SBendtrans-97.7115.1142.3-71.6169.8000107.8
227D26.5Very low29.8Very low141 Ų141143.6 Ų143.675%0.75478%0.781SS**  trans51163.9157.4-69.7-53.9000123.3
228A28.3Very low29.5Very low80 Ų80141 Ų14166%0.66178%0.776SS**  trans80124.3169.200000120.3R225R225-A228 PolarHBondContact NH1-O 3.2Å
229E29.1Very low29.7Very low177 Ų177138.4 Ų138.483%0.82778%0.778SS**  trans-98.1178.7-178.6-82.1-85.283.700111.9
230P41.6Very low29.6Very low98 Ų98132 Ų13264%0.63678%0.776SS**  cis-138.5-176.8-38.637.8-21.2000114.5
231A28.8Very low30Very low95 Ų95133.6 Ų133.679%0.78578%0.779SS**  trans70.7149.3149.500000120.6
232S31.4Very low29.9Very low89 Ų89133 Ų13362%0.62278%0.782SS**  cis-170.8151.3-22.457.20000111.4
233N30.3Very low30Very low161 Ų161131.6 Ų131.686%0.86178%0.779SS**  trans69.1148.6162.2-46.4-32.1000117.5
234G28.4Very low30Very low68 Ų68133.1 Ų133.170%0.70179%0.786SS**  cis157.8156.7-10.200000113.6
235L28Very low29.8Very low163 Ų163131.2 Ų131.285%0.85378%0.779SS**  trans60.8116.6161.7-136.467.3000117.5
236V29Very low30.3Very low109 Ų109127.9 Ų127.966%0.66178%0.78SS**  cis90.9142.545.5171.20000114.6
237H29.3Very low30.1Very low192 Ų192126.1 Ų126.189%0.88978%0.776SS**  trans73.8147.5175.4-69.8-45.4000119.5
238G25.9Very low30.2Very low68 Ų68125.5 Ų125.570%0.70178%0.783SS**  trans-156.2142.2163.100000109.8
239S27.6Very low30.1Very low128 Ų128125.4 Ų125.490%0.89579%0.789SS**  trans178.1111.7163.4-82.40000109.7
240A30.2Very low30.2Very low105 Ų105121.2 Ų121.287%0.86879%0.785SS**  trans-175.2134.2153.600000109.8
241E31.3Very low29.7Very low190 Ų190127.1 Ų127.189%0.88880%0.801SS**  trans-85.1140162.6-54.1178.1138.200109.3
242V28.7Very low29.8Very low142 Ų142125.9 Ų125.986%0.86180%0.798SS**  trans-150.1133.5143.2162.80000108
243I33.5Very low30.3Very low160 Ų160127.8 Ų127.882%0.82181%0.808SS**  trans-85.9136.9171.7-63.2161.9000108.8
244L29.8Very low30.3Very low168 Ų168128.7 Ų128.788%0.8881%0.807SS**  trans-171.6139.7141.2-103.6165.3000112.6
245A28Very low30.6Very low80 Ų80133.9 Ų133.966%0.66181%0.813SS**  trans-120.6175.3160.900000106.6
246P39.7Very low31Very low105 Ų105134.2 Ų134.268%0.68281%0.81SS**  cis-142.9-178.213.940.6-19.5000116.7
247T26Very low31.4Very low130 Ų130135.3 Ų135.380%0.79881%0.812SS**  trans36.2129.714854.80000121.4
248S29Very low31.9Very low128 Ų128132.8 Ų132.890%0.89580%0.804SS**  169.2170.692-164.40000111.7
249G26.8Very low32.6Very low77 Ų77139.6 Ų139.679%0.79481%0.809SS**  trans110.692.9166.600000115.3
250A31.7Very low33.2Very low89 Ų89140 Ų14074%0.73680%0.8SS**  trans-103.2144.8167.500000110.5
251F30.3Very low33.4Very low222 Ų222140.5 Ų140.597%0.97479%0.794SS**  trans-170.1144.5139.5-88.8-60.3000108.8
252G30.3Very low33.7Very low70 Ų70138.7 Ų138.772%0.72279%0.79SS**  trans-100.8-155.2179.100000112.7
253P42Very low34.2Very low129 Ų129138.1 Ų138.184%0.83879%0.787SS**  cis-133.1160.91.240.6-25.3000115.4
254H30.2Very low34.6Very low180 Ų180137.9 Ų137.983%0.83379%0.786SS**  trans-149.6155.1153.4-152.661.3000111.5
255Q35.4Very low35.1Very low176 Ų176138 Ų13882%0.82278%0.782SS**  trans-74.9146.7-172.9-65.9174.3-9500112.2
256Q36Very low35.7Very low170 Ų170141.2 Ų141.279%0.79479%0.794SS**  trans-116117.9165.1-70.5-169.6-5.600109.8L258Q256-L258 PolarHBondContact O-N 3.28Å; Q256-L258 VanDerWaalsContact O-N 3.15Å
257D37.1Very low36.2Very low133 Ų133140.1 Ų140.171%0.71179%0.785SS**  trans-81.386.8-180-178.240.7000110.6R259D257-R259 VanDerWaalsContact C-N 3.35Å; D257-R259 PolarHBondContact O-N 3.44Å; D257-R259 IonicContact OD2-NE 3.72Å
258L41.1Very low37.5Very low138 Ų138138.6 Ų138.672%0.72378%0.777SS**  trans-76.678.8-173.2-68.9177.3000112.4Q256 I260Q256-L258 PolarHBondContact O-N 3.28Å; Q256-L258 VanDerWaalsContact O-N 3.15Å; L258-I260 PolarHBondContact O-N 3.46Å
259R40.5Very low38.1Very low211 Ų211139.1 Ų139.180%0.79678%0.778SS**  trans-7195.4172.7-68.6-172.4-73.9168.9-3.2111.6D257D257-R259 VanDerWaalsContact C-N 3.35Å; D257-R259 PolarHBondContact O-N 3.44Å; D257-R259 IonicContact OD2-NE 3.72Å
260I40.6Very low39.4Very low137 Ų137139.4 Ų139.470%0.70378%0.781SS**  trans-71.7123.4177.3-59.5170.1000110.4L258 L262L258-I260 PolarHBondContact O-N 3.46Å; I260-L262 PolarHBondContact O-N 3.41Å
261P34Very low40.2Very low115 Ų115138 Ų13875%0.74777%0.768SS**  trans-77.7108175.330.2-32.8000111.4T263P261-T263 PolarHBondContact O-N 3.46Å
262L37.7Very low41Very low153 Ų153137.9 Ų137.980%0.80176%0.762SS**  trans-83.5105.3174.7-71.2172.1000111.5I260 L264I260-L262 PolarHBondContact O-N 3.41Å; L262-L264 PolarHBondContact O-N 3.43Å
263T39.2Very low42.1Very low129 Ų129139.4 Ų139.479%0.79175%0.752SS**  trans-79.793.417151.30000111P261P261-T263 PolarHBondContact O-N 3.46Å
264L41.3Very low42.2Very low155 Ų155140.9 Ų140.981%0.81275%0.748SS**  trans-74.8122.2171.2-71.4170.4000110.4L262L262-L264 PolarHBondContact O-N 3.43Å
265H39.5Very low43.1Very low172 Ų172140.8 Ų140.880%0.79675%0.745SS**  trans-67.6144.3169-81.8-89.4000111V267H265-V267 WeakPolarHBondContact O-CG2 3.46Å; H265-V267 PolarHBondContact O-N 3.39Å; H265-V267 VanDerWaalsContact O-N 3.09Å
266T41.4Very low43.2Very low147 Ų147142.3 Ų142.390%0.90275%0.753SS**  trans-64.1108.8-177.8-27.10000111.2
267V50.6Low44Very low82 Ų82137.4 Ų137.450%0.49775%0.748SS.*PPolyproline II helixtrans-84.4136.8177.3-164.40000109H265 A271 I273H265-V267 WeakPolarHBondContact O-CG2 3.46Å; H265-V267 PolarHBondContact O-N 3.39Å; H265-V267 VanDerWaalsContact O-N 3.09Å; V267-A271 HydrophobicContact CB-CB 4.41Å; V267-A271 HydrophobicContact CG1-CB 3.32Å; V267-I273 HydrophobicContact CG2-CD1 4.34Å
268P53.1Low44.4Very low97 Ų97135.6 Ų135.663%0.6375%0.751SS**PPolyproline II helixtrans-61.9154.1-177.522.4-34.3000113.4G270 A271P268-G270 PolarHBondContact O-N 3.34Å; P268-A271 PolarHBondContact O-N 3.13Å
269P40.9Very low44.5Very low140 Ų140134.4 Ų134.491%0.90975%0.751SS**THydrogen-bonded Turntrans-56.1131.1-177.2-2534.6000112.8
270G54.8Low44.5Very low83 Ų83130.3 Ų130.386%0.85675%0.752SS**THydrogen-bonded Turntrans103-10.1178.800000115.6P268 R272P268-G270 PolarHBondContact O-N 3.34Å; G270-R272 PolarHBondContact O-N 3.29Å
271A48.9Very low44.8Very low58 Ų58129.3 Ų129.348%0.47976%0.757SS.*  trans-70.2112.1177.100000112.7V267 P268 I273V267-A271 HydrophobicContact CB-CB 4.41Å; V267-A271 HydrophobicContact CG1-CB 3.32Å; P268-A271 PolarHBondContact O-N 3.13Å; A271-I273 PolarHBondContact O-N 3.22Å
272R46.5Very low45.3Very low220 Ų220133 Ų13383%0.8377%0.765SS**  trans-94.290.4178.1-172.7178-177.6172.81.6111.5G270G270-R272 PolarHBondContact O-N 3.29Å
273I52.6Low45.8Very low102 Ų102133 Ų13352%0.52377%0.765SS.*PPolyproline II helixtrans-72.9125.7171.1-57.6176.1000109V267 A271 F275V267-I273 HydrophobicContact CG2-CD1 4.34Å; A271-I273 PolarHBondContact O-N 3.22Å; I273-F275 HydrophobicContact CB-CE2 4.48Å; I273-F275 HydrophobicContact CG2-CD2 4.12Å; I273-F275 HydrophobicContact CG2-CE1 4.36Å; I273-F275 HydrophobicContact CG2-CE2 3.7Å; I273-F275 HydrophobicContact CG2-CZ 3.84Å
274Q45.8Very low46Very low160 Ų160134.3 Ų134.375%0.74877%0.765SS**PPolyproline II helixtrans-102.1128.6164.5-65.9-170.725.500109
275F49.1Very low46.2Very low178 Ų178137.4 Ų137.478%0.78177%0.766SS**PPolyproline II helixtrans-95.1120.6167.7-66.6-85.1000108.5I273I273-F275 HydrophobicContact CB-CE2 4.48Å; I273-F275 HydrophobicContact CG2-CD2 4.12Å; I273-F275 HydrophobicContact CG2-CE1 4.36Å; I273-F275 HydrophobicContact CG2-CE2 3.7Å; I273-F275 HydrophobicContact CG2-CZ 3.84Å
276Q36.4Very low46.2Very low209 Ų209137.2 Ų137.298%0.97777%0.77SS**  trans-96.891.6174.5-169.417317.400109.6
277G52.8Low46.1Very low67 Ų67136.7 Ų136.769%0.69177%0.767SS**SBendtrans-174.6151.5178.400000110.7
278A45Very low45.7Very low95 Ų95142.3 Ų142.379%0.78579%0.785SS**PPolyproline II helixtrans-71140.7177.800000110.8
279P44.3Very low45.2Very low112 Ų112143.3 Ų143.373%0.72779%0.789SS**PPolyproline II helixtrans-76.4130.5-177.330-33.9000111.6
280P40.6Very low45.2Very low125 Ų125142.3 Ų142.381%0.81278%0.782SS**PPolyproline II helixtrans-73.5122.6158.230.6-30.6000108.8E282P280-E282 PolarHBondContact O-N 3.35Å
281S46.7Very low44.5Very low116 Ų116146.1 Ų146.181%0.81178%0.782SS**  trans-8099.7-179.4-61.90000111.8
282E45Very low44.5Very low193 Ų193149.4 Ų149.490%0.90280%0.796SS**  trans-159.3162.6147.9-122.5173.8-143.900115.3P280 I284P280-E282 PolarHBondContact O-N 3.35Å; E282-I284 PolarHBondContact O-N 3.26Å
283L46.5Very low44.6Very low153 Ų153144.9 Ų144.980%0.80180%0.795SS**  trans-96.886.9-158.8-172.677.6000113.2R285L283-R285 PolarHBondContact O-N 3.29Å; L283-R285 VanDerWaalsContact O-N 3.08Å
284I44.9Very low44.1Very low157 Ų157145.9 Ų145.981%0.80581%0.806SS**  trans-71.1104.7175.1-56.4-179.4000110.7E282 L286E282-I284 PolarHBondContact O-N 3.26Å; I284-L286 PolarHBondContact O-N 3.01Å
285R44.8Very low44.1Very low220 Ų220143.8 Ų143.883%0.8381%0.806SS**  trans-76.6118.4175.8-64.1-179.668.7-177.51.2111L283L283-R285 PolarHBondContact O-N 3.29Å; L283-R285 VanDerWaalsContact O-N 3.08Å
286L40.4Very low44Very low168 Ų168142.9 Ų142.988%0.8881%0.808SS**  trans-88.7107.9174.6-79.3164.7000111.9I284I284-L286 PolarHBondContact O-N 3.01Å
287T39.2Very low44.2Very low135 Ų135141 Ų14183%0.82880%0.796SS**  trans-86.4114.9167.612.40000110.6V289T287-V289 PolarHBondContact O-N 3.16Å
288K41Very low44.1Very low201 Ų201146.3 Ų146.387%0.87481%0.805SS**  trans-9396.4-175.8-173.9179.4-179.1-1800111.5
289V41.8Very low44.1Very low118 Ų118148.4 Ų148.472%0.71580%0.799SS**PPolyproline II helixtrans-84.4128.5169.9-177.70000109.5T287T287-V289 PolarHBondContact O-N 3.16Å
290P41.6Very low44.1Very low118 Ų118147.7 Ų147.777%0.76680%0.796SS**PPolyproline II helixtrans-76.8127.8174.1-9.726.4000111.1
291L41.3Very low44.6Very low164 Ų164149.1 Ų149.186%0.85980%0.797SS**PPolyproline II helixtrans-97.3125.5165.6-68.5174.9000109.4
292T47.4Very low44.9Very low127 Ų127150.7 Ų150.778%0.77980%0.795SS**PPolyproline II helixtrans-77.8125.8173.635.90000110.2V294T292-V294 PolarHBondContact O-N 3.23Å
293P48.5Very low45.3Very low125 Ų125147.4 Ų147.481%0.81278%0.78SS**  trans-76.6112.5-179.129.4-33.2000111
294V43Very low45.5Very low123 Ų123143.8 Ų143.875%0.74577%0.765SS**  trans-75.7125.2167.4179.50000108.6T292 I296T292-V294 PolarHBondContact O-N 3.23Å; V294-I296 PolarHBondContact O-N 3.41Å
295P44.9Very low45.6Very low115 Ų115142.5 Ų142.575%0.74777%0.77SS**  trans-71.8114.4-178.227.8-33.7000111.2K297P295-K297 PolarHBondContact O-N 3.41Å
296I46.8Very low46.1Very low159 Ų159135 Ų13582%0.81575%0.749SS**  trans-70.794.1173.1-58.5175.2000108.6V294 M298V294-I296 PolarHBondContact O-N 3.41Å; I296-M298 PolarHBondContact O-N 3.13Å; I296-M298 VanDerWaalsContact O-N 3.08Å
297K41.7Very low47.2Very low169 Ų169135 Ų13574%0.73574%0.741SS**  trans-66.9105.1171.4-173.5177.7-175.7179.70108.6P295 Q299P295-K297 PolarHBondContact O-N 3.41Å; K297-Q299 VanDerWaalsContact C-N 3.33Å; K297-Q299 HydrophobicContact CD-CG 4.38Å; K297-Q299 HydrophobicContact CG-CG 4.18Å; K297-Q299 PolarHBondContact O-N 3.11Å
298M49.7Very low48.9Very low179 Ų179129.2 Ų129.288%0.88271%0.706SS**  trans-66.492.5171.9-68-153.17000109.7I296 S300I296-M298 PolarHBondContact O-N 3.13Å; I296-M298 VanDerWaalsContact O-N 3.08Å; M298-S300 PolarHBondContact O-N 2.69Å
299Q45.3Very low50.3Low140 Ų140123.6 Ų123.665%0.65468%0.682SS**  trans-77.9115.5174.3-59.2-168.131.500108.6K297 L301K297-Q299 VanDerWaalsContact C-N 3.33Å; K297-Q299 HydrophobicContact CD-CG 4.38Å; K297-Q299 HydrophobicContact CG-CG 4.18Å; K297-Q299 PolarHBondContact O-N 3.11Å; Q299-L301 VanDerWaalsContact C-N 3.31Å; Q299-L301 PolarHBondContact O-N 3.37Å
300S45.4Very low51.7Low96 Ų96119.2 Ų119.267%0.67166%0.656SS**  trans-70.887.2174.3-173.60000109.5M298 L302M298-S300 PolarHBondContact O-N 2.69Å; S300-L302 PolarHBondContact O-N 3.01Å
301L49.8Very low52.6Low156 Ų156121.7 Ų121.782%0.81766%0.655SS**  trans-74.764169.1-69.7176.5000110.1Q299Q299-L301 VanDerWaalsContact C-N 3.31Å; Q299-L301 PolarHBondContact O-N 3.37Å
302L53.6Low53.4Low148 Ų148120 Ų12078%0.77565%0.646SS**  trans-12035.4170.6-64.2178.6000110.2S300 P304S300-L302 PolarHBondContact O-N 3.01Å; L302-P304 WeakPolarHBondContact O-CD 3.42Å
303E53.2Low54.4Low124 Ų124114.7 Ų114.758%0.57961%0.614SS**  trans-90.3106.1161.6-118.8-72.2179.400106.9S305 K307E303-S305 PolarHBondContact O-N 2.82Å; E303-K307 IonicContact OE1-NZ 2.8Å
304P50Low55.3Low77 Ų77112.7 Ų112.750%0.560%0.601SS.*  trans-68.9120.1178.228.8-32.5000108.9L302 V306L302-P304 WeakPolarHBondContact O-CD 3.42Å; P304-V306 CarbonylContact O-C 3.22Å; P304-V306 PolarHBondContact O-N 3.48Å
305S47Very low56.7Low130 Ų130108.1 Ų108.191%0.90957%0.572SS**SBendtrans-61.5-7.2-171.5-470000115.4E303E303-S305 PolarHBondContact O-N 2.82Å
306V55.6Low57.9Low63 Ų63106.8 Ų106.838%0.38256%0.562SS.*SBendtrans-104.5101.9160.6-1760000108.1P304 I308 A362P304-V306 CarbonylContact O-C 3.22Å; P304-V306 PolarHBondContact O-N 3.48Å; V306-I308 VanDerWaalsContact C-N 3.26Å; V306-I308 HydrophobicContact CG1-CG1 4.05Å; V306-I308 PolarHBondContact O-N 3.46Å; V306-A362 HydrophobicContact CG1-CB 4.15Å
307K64.1Low59.4Low167 Ų167101 Ų10173%0.72653%0.534SS*.  trans-74.678.3175.5-170.4168-168.1143.80110E303 E309E303-K307 IonicContact OE1-NZ 2.8Å; K307-E309 PolarHBondContact O-N 3.23Å; K307-E309 VanDerWaalsContact O-N 3.11Å
308I74.6Confident61.3Low15 Ų1597.7 Ų97.78%0.07752%0.524CS..  trans-54.2116.3-176.6-67.2-179.9000109.6V306 T310 L355 N359 A362 E366 I367 Q370V306-I308 VanDerWaalsContact C-N 3.26Å; V306-I308 HydrophobicContact CG1-CG1 4.05Å; V306-I308 PolarHBondContact O-N 3.46Å; I308-T310 HydrophobicContact CG2-CG2 4.41Å; I308-T310 PolarHBondContact O-N 3.32Å; I308-L355 HydrophobicContact CG2-CD2 4.32Å; I308-N359 WeakPolarHBondContact CA-OD1 3.15Å; I308-A362 HydrophobicContact CD1-CB 4.05Å; I308-A362 HydrophobicContact CG1-CB 4.13Å; I308-E366 VanDerWaalsContact CD1-C 3.49Å; I308-E366 HydrophobicContact CD1-CB 3.73Å; I308-I367 HydrophobicContact CD1-CG1 4.11Å; I308-Q370 HydrophobicContact CB-CB 4.4Å; I308-Q370 HydrophobicContact CB-CG 4.2Å; I308-Q370 HydrophobicContact CD1-CB 4.21Å; I308-Q370 HydrophobicContact CG2-CB 4.14Å; I308-Q370 HydrophobicContact CG2-CG 3.87Å
309E69.9Low62.6Low82 Ų8289.5 Ų89.538%0.38348%0.484SS..  trans-76.8120.5-178.8-176.5129-114.500109.8K307 K311 N359K307-E309 PolarHBondContact O-N 3.23Å; K307-E309 VanDerWaalsContact O-N 3.11Å; E309-K311 HydrophobicContact CG-CB 4.31Å; E309-K311 HydrophobicContact CG-CG 4.33Å; E309-K311 VanDerWaalsContact OE1-CD 3.3Å; E309-K311 WeakPolarHBondContact OE1-CD 3.5Å; E309-K311 WeakPolarHBondContact OE1-CE 3.34Å; E309-K311 IonicContact OE1-NZ 2.62Å; E309-K311 PolarHBondContact OE1-NZ 3.2Å; E309-N359 PolarHBondContact N-OD1 2.86Å; E309-N359 PolarHBondContact O-ND2 2.68Å; E309-N359 VanDerWaalsContact O-ND2 3.13Å
310T71.2Confident63.8Low27 Ų2787.5 Ų87.517%0.16649%0.486CS..  trans-1123.6176.653.80000113.4I308 L355 Q370 E374I308-T310 HydrophobicContact CG2-CG2 4.41Å; I308-T310 PolarHBondContact O-N 3.32Å; T310-L355 HydrophobicContact CG2-CD2 4.03Å; T310-L355 HydrophobicContact CG2-CG 4.44Å; T310-Q370 HydrophobicContact CG2-CG 3.5Å; T310-Q370 VanDerWaalsContact CG2-CG 3.5Å; T310-E374 WeakPolarHBondContact CB-OE1 3.22Å; T310-E374 HydrophobicContact CG2-CG 3.99Å; T310-E374 WeakPolarHBondContact CG2-OE1 3.44Å; T310-E374 PolarHBondContact OG1-OE1 2.99Å
311K61.3Low65Low169 Ų16989.3 Ų89.374%0.73549%0.488SS*.THydrogen-bonded Turntrans-69.1-39.6-174.4-57.1-174.3-159.81310113.4E309E309-K311 HydrophobicContact CG-CB 4.31Å; E309-K311 HydrophobicContact CG-CG 4.33Å; E309-K311 VanDerWaalsContact OE1-CD 3.3Å; E309-K311 WeakPolarHBondContact OE1-CD 3.5Å; E309-K311 WeakPolarHBondContact OE1-CE 3.34Å; E309-K311 IonicContact OE1-NZ 2.62Å; E309-K311 PolarHBondContact OE1-NZ 3.2Å
312D58.5Low65.9Low128 Ų12883.7 Ų83.768%0.68446%0.464SS*.THydrogen-bonded Turntrans-95.56.4-171.5-49.8-82.9000113.7
313V67.2Low66.3Low16 Ų1679.6 Ų79.610%0.09746%0.458CS..SBendtrans-106.1119.1176.4179.30000109.5L315 A354 L355 A358V313-L315 PolarHBondContact O-N 3.31Å; V313-L315 VanDerWaalsContact O-N 3.15Å; V313-A354 HydrophobicContact CG1-CB 3.59Å; V313-A354 HydrophobicContact CG2-CB 4.24Å; V313-L355 HydrophobicContact CB-CD1 4.26Å; V313-L355 HydrophobicContact CG1-CD1 3.97Å; V313-L355 HydrophobicContact CG2-CD1 4.24Å; V313-A358 HydrophobicContact CG2-CB 4.31Å
314P69.5Low66.9Low84 Ų8475.4 Ų75.455%0.54544%0.439SS..  trans-65.7115.7169.727-32.4000109.3T316 V317 H351P314-T316 VanDerWaalsContact C-N 3.27Å; P314-V317 HydrophobicContact CB-CG2 4.29Å; P314-V317 HydrophobicContact CG-CG2 4.12Å; P314-H351 PolarHBondContact O-CD2 3.11Å; P314-H351 VanDerWaalsContact O-CD2 3.28Å; P314-H351 PolarHBondContact O-NE2 2.98Å
315L70.5Confident67.3Low27 Ų2775.1 Ų75.114%0.14144%0.437CS..THydrogen-bonded Turntrans-89.57.4-178.1-68.7157.8000113.2V313 W347 H351 L355 E374V313-L315 PolarHBondContact O-N 3.31Å; V313-L315 VanDerWaalsContact O-N 3.15Å; L315-W347 HydrophobicContact CD2-CH2 4.44Å; L315-W347 HydrophobicContact CD2-CZ2 3.81Å; L315-W347 PolarHBondContact O-NE1 3.14Å; L315-H351 VanDerWaalsContact C-NE2 3.32Å; L315-H351 HydrophobicContact CD2-CB 4.46Å; L315-H351 PolarHBondContact O-NE2 3.14Å; L315-L355 HydrophobicContact CD2-CD1 4.25Å; L315-E374 HydrophobicContact CD1-CB 4.15Å; L315-E374 HydrophobicContact CD1-CG 3.98Å; L315-E374 HydrophobicContact CD2-CB 4.28Å; L315-E374 HydrophobicContact CD2-CG 4.39Å
316T70.6Confident67.8Low87 Ų8773.3 Ų73.353%0.53442%0.417SS..THydrogen-bonded Turntrans-111.110.7-170.3500000113.7P314 L318P314-T316 VanDerWaalsContact C-N 3.27Å; T316-L318 PolarHBondContact O-N 3.12Å; T316-L318 VanDerWaalsContact O-N 3.14Å
317V79Confident67.9Low38 Ų3875 Ų7523%0.2343%0.428CS..  trans-69.7109.7-174-178.10000111.4P314 A322 I350 Y386P314-V317 HydrophobicContact CB-CG2 4.29Å; P314-V317 HydrophobicContact CG-CG2 4.12Å; V317-A322 HydrophobicContact CG1-CB 4.17Å; V317-I350 HydrophobicContact CB-CG2 4.07Å; V317-I350 HydrophobicContact CG1-CG2 4.05Å; V317-I350 WeakPolarHBondContact O-CD1 3.48Å; V317-Y386 PolarHBondContact O-OH 3.38Å
318L81.4Confident67.8Low98 Ų9867.8 Ų67.851%0.51340%0.398SS..  trans-55.3140.7-179.2-67.6175.8000111.9T316 S320 D321 A322 P385T316-L318 PolarHBondContact O-N 3.12Å; T316-L318 VanDerWaalsContact O-N 3.14Å; L318-S320 PolarHBondContact O-N 3.23Å; L318-S320 VanDerWaalsContact O-N 3.11Å; L318-D321 PolarHBondContact O-N 2.91Å; L318-D321 VanDerWaalsContact O-N 3.09Å; L318-A322 PolarHBondContact O-N 2.98Å; L318-P385 HydrophobicContact CD2-CB 3.98Å; L318-P385 HydrophobicContact CD2-CG 3.84Å
319P76.8Confident67.4Low7 Ų767.8 Ų67.85%0.04540%0.397CS..THydrogen-bonded Turntrans-54.2-35.8-178.2-27.134.1000114.6D321 A322 I324 V346 Y386 E389P319-D321 VanDerWaalsContact C-N 3.35Å; P319-A322 PolarHBondContact O-N 2.89Å; P319-I324 HydrophobicContact CB-CD1 3.95Å; P319-V346 HydrophobicContact CB-CG1 4.43Å; P319-V346 HydrophobicContact CG-CG1 4.44Å; P319-Y386 HydrophobicContact CG-CD1 3.52Å; P319-Y386 HydrophobicContact CG-CE1 3.7Å; P319-Y386 HydrophobicContact CG-CG 4.33Å; P319-E389 HydrophobicContact CB-CB 4.3Å; P319-E389 HydrophobicContact CB-CG 3.83Å; P319-E389 HydrophobicContact CG-CB 4.31Å; P319-E389 HydrophobicContact CG-CG 4.02Å
320S70.6Confident67.2Low99 Ų9966.9 Ų66.969%0.69240%0.4SS*.THydrogen-bonded Turntrans-68-31.6-177.9-43.60000113.2L318L318-S320 PolarHBondContact O-N 3.23Å; L318-S320 VanDerWaalsContact O-N 3.11Å
321D70.1Confident67.3Low133 Ų13371.6 Ų71.671%0.71142%0.418SS*.THydrogen-bonded Turntrans-82-33.4178.4-17558.7000111.4L318 P319 G323L318-D321 PolarHBondContact O-N 2.91Å; L318-D321 VanDerWaalsContact O-N 3.09Å; P319-D321 VanDerWaalsContact C-N 3.35Å; D321-G323 PolarHBondContact O-N 2.93Å
322A69.1Low68.1Low38 Ų3866.1 Ų66.131%0.31440%0.397SS..THydrogen-bonded Turntrans-66.74.4-179.900000115.6V317 L318 P319 I324 I350V317-A322 HydrophobicContact CG1-CB 4.17Å; L318-A322 PolarHBondContact O-N 2.98Å; P319-A322 PolarHBondContact O-N 2.89Å; A322-I324 HydrophobicContact CB-CG1 4.03Å; A322-I324 PolarHBondContact O-N 3.22Å; A322-I324 VanDerWaalsContact O-N 3.14Å; A322-I350 HydrophobicContact CB-CB 4.2Å; A322-I350 HydrophobicContact CB-CD1 3.75Å; A322-I350 HydrophobicContact CB-CG1 3.64Å; A322-I350 HydrophobicContact CB-CG2 3.59Å
323G61.1Low68.9Low63 Ų6372.2 Ų72.265%0.64941%0.411SS*.THydrogen-bonded Turntrans58.629.9174.700000113.9D321 P325D321-G323 PolarHBondContact O-N 2.93Å; G323-P325 WeakPolarHBondContact O-CD 3.28Å
324I66.8Low69.5Low36 Ų3678.7 Ų78.719%0.18545%0.445CS..  trans-63.6122.8-177.4-52.1177.6000108.1P319 A322 D326 V346 R349 I350P319-I324 HydrophobicContact CB-CD1 3.95Å; A322-I324 HydrophobicContact CB-CG1 4.03Å; A322-I324 PolarHBondContact O-N 3.22Å; A322-I324 VanDerWaalsContact O-N 3.14Å; I324-D326 PolarHBondContact O-N 3.1Å; I324-V346 HydrophobicContact CD1-CG1 3.93Å; I324-R349 VanDerWaalsContact CG2-NH1 3.33Å; I324-I350 HydrophobicContact CD1-CD1 3.94Å; I324-I350 HydrophobicContact CD1-CG1 3.8Å; I324-I350 HydrophobicContact CG1-CG1 4.29Å
325P59.4Low70.2Confident70 Ų7076.7 Ų76.746%0.45544%0.439SS..  trans-64.2124.817725.4-33.4000109.5G323 T327G323-P325 WeakPolarHBondContact O-CD 3.28Å; P325-T327 PolarHBondContact O-N 3.08Å
326D57.3Low70.9Confident93 Ų9379.6 Ų79.650%0.49745%0.452SS..SBendtrans-51.8-11.2-176.7-95.6-72.7000115.7I324 P328 K396I324-D326 PolarHBondContact O-N 3.1Å; D326-P328 WeakPolarHBondContact O-CD 3.47Å; D326-K396 IonicContact OD1-NZ 2.88Å; D326-K396 PolarHBondContact OD1-NZ 3.43Å
327T57.7Low71.8Confident99 Ų9976.4 Ų76.461%0.60743%0.432SS*.  trans-115.371.2-177.3490000111.8P325 F329P325-T327 PolarHBondContact O-N 3.08Å; T327-F329 PolarHBondContact O-N 2.63Å
328P61Low72.4Confident15 Ų1578 Ų7810%0.09744%0.436CS..  trans-65.1-11.2165.629.3-33.4000112.3D326 S330 M341 I393D326-P328 WeakPolarHBondContact O-CD 3.47Å; P328-S330 PolarHBondContact O-N 3.47Å; P328-M341 HydrophobicContact CB-CE 4.1Å; P328-I393 HydrophobicContact CG-CD1 4.25Å; P328-I393 HydrophobicContact CG-CG1 4.12Å; P328-I393 HydrophobicContact CG-CG2 3.75Å
329F65.7Low73Confident14 Ų1480.5 Ų80.56%0.06144%0.439CS..  trans-72.640.9-176.1-36.1-56.8000114.7T327 K331 I393 K396 H397 E400 F401T327-F329 PolarHBondContact O-N 2.63Å; F329-K331 PolarHBondContact O-N 3.04Å; F329-I393 HydrophobicContact CE1-CG2 3.73Å; F329-I393 WeakPolarHBondContact CE1-O 3.15Å; F329-I393 HydrophobicContact CZ-CB 4.41Å; F329-I393 HydrophobicContact CZ-CG2 4.07Å; F329-I393 WeakPolarHBondContact CZ-O 3.49Å; F329-K396 HydrophobicContact CE2-CB 3.62Å; F329-K396 HydrophobicContact CE2-CD 4.26Å; F329-K396 HydrophobicContact CZ-CB 3.59Å; F329-K396 HydrophobicContact CZ-CD 4.49Å; F329-H397 HydrophobicContact CD1-CB 3.82Å; F329-H397 AromaticContact CD1-CG 3.89Å; F329-H397 AromaticContact CD1-ND1 3.24Å; F329-H397 WeakPolarHBondContact CD1-ND1 3.29Å; F329-H397 HydrophobicContact CE1-CB 3.59Å; F329-H397 AromaticContact CE1-ND1 3.94Å; F329-H397 AromaticContact CG-ND1 3.9Å; F329-H397 HydrophobicContact CZ-CB 4.34Å; F329-E400 VanDerWaalsContact CB-OE2 3.29Å; F329-E400 WeakPolarHBondContact CB-OE2 3.43Å; F329-E400 WeakPolarHBondContact CD2-OE2 3.43Å; F329-E400 WeakPolarHBondContact CG-OE2 3.37Å; F329-F401 HydrophobicContact CB-CE2 3.89Å
330S65.6Low73.8Confident63 Ų6381.9 Ų81.944%0.44145%0.448SS..  trans-61.895.9172.355.30000111P328 D332 K338P328-S330 PolarHBondContact O-N 3.47Å; S330-D332 PolarHBondContact O-N 2.83Å; S330-K338 WeakPolarHBondContact O-CG 3.15Å; S330-K338 PolarHBondContact O-NZ 2.92Å; S330-K338 PolarHBondContact OG-NZ 3.22Å
331K74.1Confident74.9Confident126 Ų12679.5 Ų79.555%0.54843%0.426SS..  trans-52.2120.2157.8-168.3174.4-172.7172.70107.3F329 G335 H336 V337F329-K331 PolarHBondContact O-N 3.04Å; K331-G335 WeakPolarHBondContact CE-O 3.31Å; K331-G335 WeakPolarHBondContact CG-O 3.43Å; K331-H336 CarbonylContact C-O 3.53Å; K331-H336 WeakPolarHBondContact CA-O 3.43Å; K331-V337 HydrophobicContact CD-CG2 4.41Å; K331-V337 HydrophobicContact CG-CG2 4.19Å
332D77.6Confident76.1Confident55 Ų5577.7 Ų77.729%0.29442%0.416SS..  trans-59.8161.7-176.4-84.3-48.8000111.8S330 N334 G335 H336 K338S330-D332 PolarHBondContact O-N 2.83Å; D332-N334 PolarHBondContact O-N 2.92Å; D332-G335 WeakPolarHBondContact O-CA 3.49Å; D332-G335 PolarHBondContact O-N 2.93Å; D332-H336 HydrophobicContact CB-CB 4.27Å; D332-H336 PolarHBondContact N-O 2.85Å; D332-H336 IonicContact OD2-CD2 2.63Å; D332-K338 WeakPolarHBondContact OD1-CE 3.49Å; D332-K338 IonicContact OD1-NZ 2.63Å; D332-K338 PolarHBondContact OD1-NZ 2.83Å; D332-K338 IonicContact OD2-NZ 2.69Å
333R74.8Confident77.4Confident256 Ų25676.1 Ų76.197%0.96640%0.404SS*.THydrogen-bonded Turntrans-53.7-19.7171.2-62.7-176.668.8-167.81.4113.2
334N80.8Confident79Confident151 Ų15175.4 Ų75.481%0.80738%0.383SS*.THydrogen-bonded Turntrans-93.110.9175.6-54.493.7000113.9D332 H336D332-N334 PolarHBondContact O-N 2.92Å; N334-H336 VanDerWaalsContact C-N 3.25Å; N334-H336 PolarHBondContact O-N 3.22Å
335G83.3Confident80.4Confident42 Ų4278.2 Ų78.243%0.43340%0.396SS..SBendtrans75.72.1-177.500000115.5K331 D332K331-G335 WeakPolarHBondContact CE-O 3.31Å; K331-G335 WeakPolarHBondContact CG-O 3.43Å; D332-G335 WeakPolarHBondContact O-CA 3.49Å; D332-G335 PolarHBondContact O-N 2.93Å
336H86.4Confident82Confident89 Ų8975 Ų7541%0.41238%0.375SS..  trans-80125.3-177.6179.848.7000111.9K331 D332 N334 K338K331-H336 CarbonylContact C-O 3.53Å; K331-H336 WeakPolarHBondContact CA-O 3.43Å; D332-H336 HydrophobicContact CB-CB 4.27Å; D332-H336 PolarHBondContact N-O 2.85Å; D332-H336 IonicContact OD2-CD2 2.63Å; N334-H336 VanDerWaalsContact C-N 3.25Å; N334-H336 PolarHBondContact O-N 3.22Å; H336-K338 PolarHBondContact O-N 2.74Å
337V89.7Confident83.7Confident20 Ų2070.5 Ų70.512%0.12135%0.351CS..  trans-79.5114.6176.2177.90000109.5K331 H397 F401 W404K331-V337 HydrophobicContact CD-CG2 4.41Å; K331-V337 HydrophobicContact CG-CG2 4.19Å; V337-H397 WeakPolarHBondContact CG1-CE1 3.5Å; V337-F401 HydrophobicContact CB-CD1 4.37Å; V337-F401 HydrophobicContact CG1-CB 4.3Å; V337-F401 HydrophobicContact CG1-CD1 3.88Å; V337-F401 HydrophobicContact CG1-CD2 3.72Å; V337-F401 HydrophobicContact CG1-CE1 4.15Å; V337-F401 HydrophobicContact CG1-CE2 4.02Å; V337-F401 HydrophobicContact CG1-CG 3.66Å; V337-F401 HydrophobicContact CG1-CZ 4.22Å; V337-F401 HydrophobicContact CG2-CD1 3.54Å; V337-F401 HydrophobicContact CG2-CE1 3.57Å; V337-F401 HydrophobicContact CG2-CG 4.19Å; V337-F401 HydrophobicContact CG2-CZ 4.25Å; V337-W404 HydrophobicContact CG1-CG 4.19Å; V337-W404 PolarHBondContact O-NE1 3.47Å
338K91.4Very high85.4Confident70 Ų7065.8 Ų65.830%0.30432%0.322SS..PPolyproline II helixtrans-66.1157.7176.2-67.8-171.8-173.985.90111.6S330 D332 H336 H397S330-K338 WeakPolarHBondContact O-CG 3.15Å; S330-K338 PolarHBondContact O-NZ 2.92Å; S330-K338 PolarHBondContact OG-NZ 3.22Å; D332-K338 WeakPolarHBondContact OD1-CE 3.49Å; D332-K338 IonicContact OD1-NZ 2.63Å; D332-K338 PolarHBondContact OD1-NZ 2.83Å; D332-K338 IonicContact OD2-NZ 2.69Å; H336-K338 PolarHBondContact O-N 2.74Å; K338-H397 PolarHBondContact O-CE1 3.26Å; K338-H397 PolarHBondContact O-NE2 2.62Å
339R93.1Very high86.9Confident152 Ų15269.6 Ų69.657%0.57434%0.335SS*.PPolyproline II helixtrans-63.9151.9171.9-47.8-175.7-160.5-155.73.4110.9W404 Y406R339-W404 HydrophobicContact CB-CH2 4.07Å; R339-W404 HydrophobicContact CB-CZ2 4.18Å; R339-W404 HydrophobicContact CG-CH2 4.02Å; R339-W404 HydrophobicContact CG-CZ2 3.95Å; R339-Y406 VanDerWaalsContact CZ-CZ 3.41Å; R339-Y406 PolarHBondContact NH1-OH 3.48Å; R339-Y406 VanDerWaalsContact NH2-CZ 3.32Å; R339-Y406 PolarHBondContact NH2-OH 3.21Å
340P93.4Very high88.1Confident36 Ų3670.2 Ų70.223%0.23434%0.339CS..PPolyproline II helixtrans-63.1156.316627.9-32.3000110.8I393 K394 H397P340-I393 HydrophobicContact CB-CG2 4.04Å; P340-K394 HydrophobicContact CB-CB 4.39Å; P340-K394 HydrophobicContact CG-CB 4.49Å; P340-H397 HydrophobicContact CB-CB 4Å; P340-H397 HydrophobicContact CG-CB 4.45Å
341M94.3Very high89.3Confident49 Ų4967.3 Ų67.324%0.24132%0.318CS..PPolyproline II helixtrans-82.3132-178.3-157.1166.7-73.200109.9P328 M345 V346 R349 I393P328-M341 HydrophobicContact CB-CE 4.1Å; M341-M345 HydrophobicContact CG-CB 3.41Å; M341-M345 VanDerWaalsContact CG-CB 3.41Å; M341-M345 HydrophobicContact SD-CB 4.31Å; M341-V346 HydrophobicContact CB-CG2 3.95Å; M341-V346 HydrophobicContact CG-CG2 3.77Å; M341-V346 HydrophobicContact SD-CG2 4.07Å; M341-R349 HydrophobicContact SD-CB 4.42Å; M341-I393 HydrophobicContact CB-CG2 4.07Å
342N95.5Very high90.2Very high94 Ų9464 Ų6450%0.50330%0.302SS..PPolyproline II helixtrans-87.3166.5173.973.5-8.4000111.3F344 M345 V346N342-F344 PolarHBondContact O-N 3.46Å; N342-M345 CarbonylContact O-C 3.58Å; N342-M345 WeakPolarHBondContact O-CA 3.21Å; N342-M345 PolarHBondContact O-N 2.93Å; N342-M345 VanDerWaalsContact OD1-CB 3.24Å; N342-M345 WeakPolarHBondContact OD1-CB 3.33Å; N342-M345 WeakPolarHBondContact OD1-CG 3.31Å; N342-M345 PolarHBondContact OD1-N 2.65Å; N342-V346 WeakPolarHBondContact O-CG2 3.4Å; N342-V346 PolarHBondContact O-N 2.81Å
343A95.5Very high90.9Very high6 Ų665.3 Ų65.35%0.0531%0.313CS..Hα-helixtrans-50.8-50-173.600000113.6M345 V346 W347 W375 Y386 Y387 A390A343-M345 VanDerWaalsContact C-N 3.34Å; A343-M345 PolarHBondContact O-N 2.79Å; A343-V346 PolarHBondContact O-N 3.05Å; A343-W347 WeakPolarHBondContact O-CB 3.34Å; A343-W347 PolarHBondContact O-N 2.84Å; A343-W375 HydrophobicContact CB-CH2 3.84Å; A343-W375 HydrophobicContact CB-CZ2 4.08Å; A343-Y386 WeakPolarHBondContact CA-O 3.38Å; A343-Y386 VanDerWaalsContact CB-O 3.32Å; A343-Y386 WeakPolarHBondContact CB-O 3.22Å; A343-Y387 HydrophobicContact CB-CD1 3.6Å; A343-Y387 HydrophobicContact CB-CD2 4.45Å; A343-Y387 HydrophobicContact CB-CE1 3.85Å; A343-Y387 HydrophobicContact CB-CG 3.92Å; A343-A390 HydrophobicContact CB-CB 4.13Å; A343-A390 VanDerWaalsContact N-CB 3.3Å
344F95.3Very high91.6Very high47 Ų4754.8 Ų54.821%0.20628%0.282CS..Hα-helixtrans-57-43174.4172.9-105.7000113N342 W347 A348 L371 W375N342-F344 PolarHBondContact O-N 3.46Å; F344-W347 HydrophobicContact CD2-CE3 4.04Å; F344-W347 HydrophobicContact CD2-CZ3 4.25Å; F344-W347 HydrophobicContact CE2-CE3 4.06Å; F344-W347 AromaticContact CE2-CZ3 3.84Å; F344-W347 HydrophobicContact CE2-CZ3 3.84Å; F344-A348 HydrophobicContact CE1-CB 4.44Å; F344-A348 HydrophobicContact CE2-CB 4.38Å; F344-A348 HydrophobicContact CZ-CB 4.25Å; F344-A348 WeakPolarHBondContact O-CB 3.48Å; F344-A348 PolarHBondContact O-N 3.15Å; F344-L371 HydrophobicContact CE2-CB 4.47Å; F344-L371 HydrophobicContact CZ-CB 4.4Å; F344-W375 HydrophobicContact CB-CD2 4.35Å; F344-W375 HydrophobicContact CD2-CB 3.71Å; F344-W375 AromaticContact CD2-CD1 3.9Å; F344-W375 AromaticContact CD2-CD2 3.9Å; F344-W375 HydrophobicContact CD2-CD2 3.9Å; F344-W375 HydrophobicContact CD2-CE3 4.48Å; F344-W375 AromaticContact CD2-CG 3.53Å; F344-W375 HydrophobicContact CD2-CG 3.53Å; F344-W375 HydrophobicContact CE2-CB 3.86Å; F344-W375 HydrophobicContact CE2-CG 4.19Å
345M95.4Very high92Very high96 Ų9647.6 Ų47.647%0.47324%0.243SC..Hα-helixtrans-71.4-31.3178.5-72.6-74.6-167.200112.8M341 N342 A343 R349M341-M345 HydrophobicContact CG-CB 3.41Å; M341-M345 VanDerWaalsContact CG-CB 3.41Å; M341-M345 HydrophobicContact SD-CB 4.31Å; N342-M345 CarbonylContact O-C 3.58Å; N342-M345 WeakPolarHBondContact O-CA 3.21Å; N342-M345 PolarHBondContact O-N 2.93Å; N342-M345 VanDerWaalsContact OD1-CB 3.24Å; N342-M345 WeakPolarHBondContact OD1-CB 3.33Å; N342-M345 WeakPolarHBondContact OD1-CG 3.31Å; N342-M345 PolarHBondContact OD1-N 2.65Å; A343-M345 VanDerWaalsContact C-N 3.34Å; A343-M345 PolarHBondContact O-N 2.79Å; M345-R349 WeakPolarHBondContact O-CB 3.44Å; M345-R349 PolarHBondContact O-N 3.32Å
346V93.4Very high92.4Very high1 Ų147.1 Ų47.11%0.00624%0.235CC..Hα-helixtrans-64.2-55.8172176.20000109.1P319 I324 M341 N342 A343 A348 R349 Y386 A390 I393P319-V346 HydrophobicContact CB-CG1 4.43Å; P319-V346 HydrophobicContact CG-CG1 4.44Å; I324-V346 HydrophobicContact CD1-CG1 3.93Å; M341-V346 HydrophobicContact CB-CG2 3.95Å; M341-V346 HydrophobicContact CG-CG2 3.77Å; M341-V346 HydrophobicContact SD-CG2 4.07Å; N342-V346 WeakPolarHBondContact O-CG2 3.4Å; N342-V346 PolarHBondContact O-N 2.81Å; A343-V346 PolarHBondContact O-N 3.05Å; V346-A348 PolarHBondContact O-N 2.98Å; V346-R349 VanDerWaalsContact O-CB 3.3Å; V346-R349 WeakPolarHBondContact O-CB 3.49Å; V346-R349 PolarHBondContact O-N 3.18Å; V346-R349 VanDerWaalsContact O-N 3.08Å; V346-Y386 HydrophobicContact CG1-CD1 4.46Å; V346-A390 HydrophobicContact CG2-CB 4.3Å; V346-I393 HydrophobicContact CG2-CD1 3.77Å
347W93.8Very high92.5Very high0 Ų051.6 Ų51.60%025%0.253CS..Hα-helixtrans-56.7-46.8176.8173.587.7000112.5L315 A343 F344 R349 I350 H351 L371 E374 W375 L378 Y386L315-W347 HydrophobicContact CD2-CH2 4.44Å; L315-W347 HydrophobicContact CD2-CZ2 3.81Å; L315-W347 PolarHBondContact O-NE1 3.14Å; A343-W347 WeakPolarHBondContact O-CB 3.34Å; A343-W347 PolarHBondContact O-N 2.84Å; F344-W347 HydrophobicContact CD2-CE3 4.04Å; F344-W347 HydrophobicContact CD2-CZ3 4.25Å; F344-W347 HydrophobicContact CE2-CE3 4.06Å; F344-W347 AromaticContact CE2-CZ3 3.84Å; F344-W347 HydrophobicContact CE2-CZ3 3.84Å; W347-R349 PolarHBondContact O-N 2.91Å; W347-I350 WeakPolarHBondContact O-CB 3.48Å; W347-I350 PolarHBondContact O-N 3.46Å; W347-I350 VanDerWaalsContact O-N 3.15Å; W347-H351 AromaticContact CD1-CE1 3.42Å; W347-H351 VanDerWaalsContact CD1-CE1 3.42Å; W347-H351 AromaticContact CD1-ND1 3.32Å; W347-H351 VanDerWaalsContact CD1-ND1 3.32Å; W347-H351 AromaticContact CD2-ND1 3.82Å; W347-H351 AromaticContact CE2-CG 3.98Å; W347-H351 AromaticContact CE2-ND1 3.53Å; W347-H351 AromaticContact CG-ND1 3.7Å; W347-H351 HydrophobicContact CZ2-CB 4.4Å; W347-H351 AromaticContact NE1-CE1 3.31Å; W347-H351 PolarHBondContact NE1-CE1 3.06Å; W347-H351 VanDerWaalsContact NE1-CE1 3.31Å; W347-H351 AromaticContact NE1-CG 3.92Å; W347-H351 AromaticContact NE1-ND1 3.17Å; W347-H351 PolarHBondContact NE1-ND1 3.15Å; W347-H351 VanDerWaalsContact NE1-ND1 3.17Å; W347-H351 PolarHBondContact O-N 3.18Å; W347-H351 VanDerWaalsContact O-N 3.11Å; W347-H351 PolarHBondContact O-ND1 2.89Å; W347-L371 HydrophobicContact CH2-CB 4.21Å; W347-L371 HydrophobicContact CH2-CD2 3.57Å; W347-L371 HydrophobicContact CH2-CG 4.49Å; W347-L371 VanDerWaalsContact CH2-O 3.22Å; W347-L371 WeakPolarHBondContact CH2-O 3.42Å; W347-L371 HydrophobicContact CZ2-CD2 4.47Å; W347-L371 HydrophobicContact CZ3-CB 3.82Å; W347-L371 HydrophobicContact CZ3-CD2 3.6Å; W347-L371 HydrophobicContact CZ3-CG 4.3Å; W347-L371 WeakPolarHBondContact CZ3-O 3.29Å; W347-E374 HydrophobicContact CH2-CB 3.99Å; W347-E374 HydrophobicContact CZ2-CB 4.24Å; W347-W375 HydrophobicContact CB-CE3 3.81Å; W347-W375 HydrophobicContact CB-CZ3 3.57Å; W347-W375 AromaticContact CD2-CE3 3.63Å; W347-W375 HydrophobicContact CD2-CE3 3.63Å; W347-W375 HydrophobicContact CD2-CZ3 4.26Å; W347-W375 HydrophobicContact CE3-CB 4.09Å; W347-W375 HydrophobicContact CE3-CD2 4.48Å; W347-W375 AromaticContact CE3-CE3 3.86Å; W347-W375 HydrophobicContact CE3-CE3 3.86Å; W347-W375 AromaticContact CG-CE3 3.59Å; W347-W375 HydrophobicContact CG-CE3 3.59Å; W347-W375 AromaticContact CG-CZ3 3.72Å; W347-W375 HydrophobicContact CG-CZ3 3.72Å; W347-W375 HydrophobicContact CH2-CB 4.08Å; W347-W375 HydrophobicContact CZ3-CB 3.78Å; W347-L378 HydrophobicContact CZ2-CD1 4.21Å; W347-Y386 HydrophobicContact CB-CD1 3.62Å; W347-Y386 HydrophobicContact CB-CE1 3.99Å; W347-Y386 HydrophobicContact CB-CG 3.93Å; W347-Y386 AromaticContact CD1-CE1 3.67Å; W347-Y386 AromaticContact CD1-CE2 3.75Å; W347-Y386 AromaticContact CD1-CZ 3.49Å; W347-Y386 VanDerWaalsContact CD1-CZ 3.49Å; W347-Y386 HydrophobicContact CG-CD1 4.29Å; W347-Y386 HydrophobicContact CG-CE1 4.24Å
348A94Very high92.5Very high0 Ų053.3 Ų53.30%027%0.269CS..Hα-helixtrans-71-14.4179.700000113.2F344 V346 R352 L371F344-A348 HydrophobicContact CE1-CB 4.44Å; F344-A348 HydrophobicContact CE2-CB 4.38Å; F344-A348 HydrophobicContact CZ-CB 4.25Å; F344-A348 WeakPolarHBondContact O-CB 3.48Å; F344-A348 PolarHBondContact O-N 3.15Å; V346-A348 PolarHBondContact O-N 2.98Å; A348-R352 WeakPolarHBondContact O-CB 3.45Å; A348-R352 PolarHBondContact O-N 3.12Å; A348-R352 VanDerWaalsContact O-N 3.16Å; A348-R352 PolarHBondContact O-NH1 2.8Å; A348-L371 HydrophobicContact CB-CD1 4.33Å
349R92Very high92.3Very high94 Ų9451 Ų5136%0.35526%0.26SS..Hα-helixtrans-72.3-35.4171.1-170.8179.7-175.4-173.30.5111.3I324 M341 M345 V346 W347 P353I324-R349 VanDerWaalsContact CG2-NH1 3.33Å; M341-R349 HydrophobicContact SD-CB 4.42Å; M345-R349 WeakPolarHBondContact O-CB 3.44Å; M345-R349 PolarHBondContact O-N 3.32Å; V346-R349 VanDerWaalsContact O-CB 3.3Å; V346-R349 WeakPolarHBondContact O-CB 3.49Å; V346-R349 PolarHBondContact O-N 3.18Å; V346-R349 VanDerWaalsContact O-N 3.08Å; W347-R349 PolarHBondContact O-N 2.91Å; R349-P353 WeakPolarHBondContact O-CD 3.45Å
350I90.6Very high92.1Very high28 Ų2849.2 Ų49.214%0.14427%0.268CS..Hα-helixtrans-75.3-49.8177.2-49.5169.3000110.4V317 A322 I324 W347 P353 Y386V317-I350 HydrophobicContact CB-CG2 4.07Å; V317-I350 HydrophobicContact CG1-CG2 4.05Å; V317-I350 WeakPolarHBondContact O-CD1 3.48Å; A322-I350 HydrophobicContact CB-CB 4.2Å; A322-I350 HydrophobicContact CB-CD1 3.75Å; A322-I350 HydrophobicContact CB-CG1 3.64Å; A322-I350 HydrophobicContact CB-CG2 3.59Å; I324-I350 HydrophobicContact CD1-CD1 3.94Å; I324-I350 HydrophobicContact CD1-CG1 3.8Å; I324-I350 HydrophobicContact CG1-CG1 4.29Å; W347-I350 WeakPolarHBondContact O-CB 3.48Å; W347-I350 PolarHBondContact O-N 3.46Å; W347-I350 VanDerWaalsContact O-N 3.15Å; I350-P353 WeakPolarHBondContact O-CD 3.37Å; I350-Y386 HydrophobicContact CD1-CD1 4.48Å; I350-Y386 HydrophobicContact CD1-CE1 3.8Å
351H90.8Very high91.8Very high2 Ų252.3 Ų52.31%0.00930%0.297CS..Hα-helixtrans-87.5-23.7-167.4-61.194.8000114P314 L315 W347 A354 L355 L371P314-H351 PolarHBondContact O-CD2 3.11Å; P314-H351 VanDerWaalsContact O-CD2 3.28Å; P314-H351 PolarHBondContact O-NE2 2.98Å; L315-H351 VanDerWaalsContact C-NE2 3.32Å; L315-H351 HydrophobicContact CD2-CB 4.46Å; L315-H351 PolarHBondContact O-NE2 3.14Å; W347-H351 AromaticContact CD1-CE1 3.42Å; W347-H351 VanDerWaalsContact CD1-CE1 3.42Å; W347-H351 AromaticContact CD1-ND1 3.32Å; W347-H351 VanDerWaalsContact CD1-ND1 3.32Å; W347-H351 AromaticContact CD2-ND1 3.82Å; W347-H351 AromaticContact CE2-CG 3.98Å; W347-H351 AromaticContact CE2-ND1 3.53Å; W347-H351 AromaticContact CG-ND1 3.7Å; W347-H351 HydrophobicContact CZ2-CB 4.4Å; W347-H351 AromaticContact NE1-CE1 3.31Å; W347-H351 PolarHBondContact NE1-CE1 3.06Å; W347-H351 VanDerWaalsContact NE1-CE1 3.31Å; W347-H351 AromaticContact NE1-CG 3.92Å; W347-H351 AromaticContact NE1-ND1 3.17Å; W347-H351 PolarHBondContact NE1-ND1 3.15Å; W347-H351 VanDerWaalsContact NE1-ND1 3.17Å; W347-H351 PolarHBondContact O-N 3.18Å; W347-H351 VanDerWaalsContact O-N 3.11Å; W347-H351 PolarHBondContact O-ND1 2.89Å; H351-A354 PolarHBondContact O-N 3.26Å; H351-L355 WeakPolarHBondContact O-CD1 3.07Å; H351-L355 PolarHBondContact O-N 3.09Å; H351-L371 HydrophobicContact CB-CD2 3.9Å
352R93.4Very high91.6Very high56 Ų5650.5 Ų50.521%0.21129%0.29CS..Hα-helixtrans-60.7-45.6176.9-177.1-179.6-73.499.7-7.7113.5A348 A354 L355 A356 I367 S368 L371A348-R352 WeakPolarHBondContact O-CB 3.45Å; A348-R352 PolarHBondContact O-N 3.12Å; A348-R352 VanDerWaalsContact O-N 3.16Å; A348-R352 PolarHBondContact O-NH1 2.8Å; R352-A354 VanDerWaalsContact C-N 3.28Å; R352-A354 PolarHBondContact O-N 2.98Å; R352-L355 PolarHBondContact O-N 3.44Å; R352-A356 VanDerWaalsContact O-CB 3.23Å; R352-A356 WeakPolarHBondContact O-CB 3.24Å; R352-A356 PolarHBondContact O-N 3.3Å; R352-I367 HydrophobicContact CG-CG2 4.07Å; R352-S368 PolarHBondContact NE-OG 2.9Å; R352-S368 PolarHBondContact NH2-OG 3.36Å; R352-S368 VanDerWaalsContact NH2-OG 3.13Å; R352-L371 HydrophobicContact CB-CD1 3.59Å; R352-L371 HydrophobicContact CG-CD1 3.97Å
353P91.4Very high91.4Very high82 Ų8250.4 Ų50.453%0.53229%0.289SS..Hα-helixtrans-58.7-36.6173.2-25.835000113.5R349 I350 K357R349-P353 WeakPolarHBondContact O-CD 3.45Å; I350-P353 WeakPolarHBondContact O-CD 3.37Å; P353-K357 VanDerWaalsContact O-CB 3.3Å; P353-K357 WeakPolarHBondContact O-CB 3.45Å; P353-K357 PolarHBondContact O-N 2.93Å
354A89.8Confident91.1Very high36 Ų3655 Ų5530%0.29831%0.313SS..Hα-helixtrans-68.6-49.2178.200000111.8V313 H351 R352 A356 K357 A358V313-A354 HydrophobicContact CG1-CB 3.59Å; V313-A354 HydrophobicContact CG2-CB 4.24Å; H351-A354 PolarHBondContact O-N 3.26Å; R352-A354 VanDerWaalsContact C-N 3.28Å; R352-A354 PolarHBondContact O-N 2.98Å; A354-A356 VanDerWaalsContact C-N 3.32Å; A354-A356 PolarHBondContact O-N 3.31Å; A354-K357 PolarHBondContact O-N 2.78Å; A354-A358 PolarHBondContact O-N 3.09Å
355L89.6Confident91Very high0 Ų055.6 Ų55.60%033%0.327CS..Hα-helixtrans-61.5-39.3175.2-90.473.2000112I308 T310 V313 L315 H351 R352 A358 N359 I367 Q370 L371I308-L355 HydrophobicContact CG2-CD2 4.32Å; T310-L355 HydrophobicContact CG2-CD2 4.03Å; T310-L355 HydrophobicContact CG2-CG 4.44Å; V313-L355 HydrophobicContact CB-CD1 4.26Å; V313-L355 HydrophobicContact CG1-CD1 3.97Å; V313-L355 HydrophobicContact CG2-CD1 4.24Å; L315-L355 HydrophobicContact CD2-CD1 4.25Å; H351-L355 WeakPolarHBondContact O-CD1 3.07Å; H351-L355 PolarHBondContact O-N 3.09Å; R352-L355 PolarHBondContact O-N 3.44Å; L355-A358 PolarHBondContact O-N 3.33Å; L355-N359 WeakPolarHBondContact O-CB 3.08Å; L355-N359 PolarHBondContact O-N 3.36Å; L355-N359 PolarHBondContact O-ND2 2.53Å; L355-N359 VanDerWaalsContact O-ND2 3.12Å; L355-I367 HydrophobicContact CB-CG2 3.87Å; L355-I367 HydrophobicContact CD2-CG2 4.35Å; L355-Q370 HydrophobicContact CD2-CB 4.27Å; L355-Q370 HydrophobicContact CD2-CG 4.12Å; L355-L371 HydrophobicContact CD1-CD2 4.28Å; L355-L371 HydrophobicContact CD2-CD2 4.02Å; L355-L371 HydrophobicContact CD2-CG 4.09Å
356A91.1Very high90.9Very high31 Ų3154.7 Ų54.726%0.25632%0.321SS..Hα-helixtrans-68.3-32.1176.700000113.1R352 A354 N359 P360 I367R352-A356 VanDerWaalsContact O-CB 3.23Å; R352-A356 WeakPolarHBondContact O-CB 3.24Å; R352-A356 PolarHBondContact O-N 3.3Å; A354-A356 VanDerWaalsContact C-N 3.32Å; A354-A356 PolarHBondContact O-N 3.31Å; A356-N359 CarbonylContact O-C 3.41Å; A356-P360 WeakPolarHBondContact O-CA 3.23Å; A356-I367 HydrophobicContact CB-CD1 3.95Å
357K89.8Confident90.8Very high184 Ų18454.7 Ų54.780%0.832%0.321SS*.Hα-helixtrans-72.2-38.2173.5-174.1-173.5175.4-167.30111.8P353 A354P353-K357 VanDerWaalsContact O-CB 3.3Å; P353-K357 WeakPolarHBondContact O-CB 3.45Å; P353-K357 PolarHBondContact O-N 2.93Å; A354-K357 PolarHBondContact O-N 2.78Å
358A88.3Confident90.9Very high55 Ų5556.7 Ų56.746%0.45534%0.335SS..Hα-helixtrans-71.8-35.8175.900000112.2V313 A354 L355 P360V313-A358 HydrophobicContact CG2-CB 4.31Å; A354-A358 PolarHBondContact O-N 3.09Å; L355-A358 PolarHBondContact O-N 3.33Å; A358-P360 VanDerWaalsContact C-CD 3.41Å; A358-P360 VanDerWaalsContact O-CD 3.26Å; A358-P360 WeakPolarHBondContact O-CD 3.48Å
359N87.9Confident90.9Very high22 Ų2261.2 Ų61.212%0.11836%0.363CS..  trans-120.465.8-176.4-57.8-98.2000110.9I308 E309 L355 A356 A361 A362I308-N359 WeakPolarHBondContact CA-OD1 3.15Å; E309-N359 PolarHBondContact N-OD1 2.86Å; E309-N359 PolarHBondContact O-ND2 2.68Å; E309-N359 VanDerWaalsContact O-ND2 3.13Å; L355-N359 WeakPolarHBondContact O-CB 3.08Å; L355-N359 PolarHBondContact O-N 3.36Å; L355-N359 PolarHBondContact O-ND2 2.53Å; L355-N359 VanDerWaalsContact O-ND2 3.12Å; A356-N359 CarbonylContact O-C 3.41Å; N359-A361 PolarHBondContact O-N 3.5Å; N359-A361 VanDerWaalsContact O-N 3.13Å; N359-A362 HydrophobicContact CB-CB 3.79Å; N359-A362 WeakPolarHBondContact O-CB 3.4Å; N359-A362 PolarHBondContact O-N 2.85Å
360P88.3Confident90.9Very high114 Ų11458.2 Ų58.274%0.7435%0.353SS*.THydrogen-bonded Turntrans-67.3-15.3-17328.4-36.7000114.3A356 A358A356-P360 WeakPolarHBondContact O-CA 3.23Å; A358-P360 VanDerWaalsContact C-CD 3.41Å; A358-P360 VanDerWaalsContact O-CD 3.26Å; A358-P360 WeakPolarHBondContact O-CD 3.48Å
361A88.3Confident91.1Very high102 Ų10256.9 Ų56.984%0.84335%0.346SS*.THydrogen-bonded Turntrans-88.9-13.2173.400000113.7N359N359-A361 PolarHBondContact O-N 3.5Å; N359-A361 VanDerWaalsContact O-N 3.13Å
362A88.5Confident91.3Very high11 Ų1157.7 Ų57.79%0.09136%0.355CS..SBendtrans-80.7144.3-177.600000111.8V306 I308 N359 I367V306-A362 HydrophobicContact CG1-CB 4.15Å; I308-A362 HydrophobicContact CD1-CB 4.05Å; I308-A362 HydrophobicContact CG1-CB 4.13Å; N359-A362 HydrophobicContact CB-CB 3.79Å; N359-A362 WeakPolarHBondContact O-CB 3.4Å; N359-A362 PolarHBondContact O-N 2.85Å; A362-I367 HydrophobicContact CB-CD1 4.14Å; A362-I367 HydrophobicContact CB-CG1 3.97Å
363N91.4Very high91.4Very high92 Ų9259.2 Ų59.249%0.49237%0.367SS..  trans-74.1145.8179.2-168.9-16.8000110.8A365 E366 I367N363-A365 PolarHBondContact O-N 3.26Å; N363-A365 VanDerWaalsContact O-N 3.08Å; N363-A365 PolarHBondContact OD1-N 2.98Å; N363-E366 HydrophobicContact CB-CG 4.07Å; N363-E366 WeakPolarHBondContact CB-OE2 3.5Å; N363-E366 PolarHBondContact N-OE2 2.79Å; N363-E366 PolarHBondContact O-N 3.4Å; N363-I367 WeakPolarHBondContact O-CG1 3.15Å; N363-I367 PolarHBondContact O-N 3.43Å
364N90.3Very high91.5Very high101 Ų10155.9 Ų55.954%0.5434%0.344SS..Hα-helixtrans-56.7-25.7173.2-85.9-92.8000113S368N364-S368 VanDerWaalsContact O-CB 3.26Å; N364-S368 WeakPolarHBondContact O-CB 3.43Å; N364-S368 PolarHBondContact O-N 3.19Å; N364-S368 VanDerWaalsContact O-N 3.09Å; N364-S368 PolarHBondContact O-OG 3.26Å
365A92.9Very high91.7Very high60 Ų6055.2 Ų55.250%0.49633%0.334SS..Hα-helixtrans-65.7-50.9170.800000112N363 S368 V369N363-A365 PolarHBondContact O-N 3.26Å; N363-A365 VanDerWaalsContact O-N 3.08Å; N363-A365 PolarHBondContact OD1-N 2.98Å; A365-S368 PolarHBondContact O-N 2.82Å; A365-S368 VanDerWaalsContact O-N 3.16Å; A365-V369 PolarHBondContact O-N 3.08Å
366E92.1Very high91.9Very high78 Ų7860.7 Ų60.736%0.36436%0.363SS..Hα-helixtrans-66.3-44.7-179.2-60.9155.7177.900110.8I308 N363 S368 V369 Q370I308-E366 VanDerWaalsContact CD1-C 3.49Å; I308-E366 HydrophobicContact CD1-CB 3.73Å; N363-E366 HydrophobicContact CB-CG 4.07Å; N363-E366 WeakPolarHBondContact CB-OE2 3.5Å; N363-E366 PolarHBondContact N-OE2 2.79Å; N363-E366 PolarHBondContact O-N 3.4Å; E366-S368 PolarHBondContact O-N 3.06Å; E366-V369 WeakPolarHBondContact O-CA 3.42Å; E366-V369 WeakPolarHBondContact O-CB 3.32Å; E366-V369 PolarHBondContact O-N 3.17Å; E366-Q370 PolarHBondContact O-N 2.9Å
367I92.9Very high92.1Very high1 Ų165.8 Ų65.81%0.00538%0.38CS..Hα-helixtrans-57.1-39172.6-64.7163.2000110.6I308 R352 L355 A356 A362 N363 Q370 L371I308-I367 HydrophobicContact CD1-CG1 4.11Å; R352-I367 HydrophobicContact CG-CG2 4.07Å; L355-I367 HydrophobicContact CB-CG2 3.87Å; L355-I367 HydrophobicContact CD2-CG2 4.35Å; A356-I367 HydrophobicContact CB-CD1 3.95Å; A362-I367 HydrophobicContact CB-CD1 4.14Å; A362-I367 HydrophobicContact CB-CG1 3.97Å; N363-I367 WeakPolarHBondContact O-CG1 3.15Å; N363-I367 PolarHBondContact O-N 3.43Å; I367-Q370 PolarHBondContact O-N 3.03Å; I367-L371 HydrophobicContact CG2-CD1 3.91Å; I367-L371 HydrophobicContact CG2-CG 4.36Å; I367-L371 WeakPolarHBondContact O-CB 3.4Å; I367-L371 WeakPolarHBondContact O-CD1 3.1Å; I367-L371 WeakPolarHBondContact O-CG 3.29Å; I367-L371 PolarHBondContact O-N 3.17Å
368S94.8Very high92.2Very high41 Ų4157.8 Ų57.829%0.28735%0.345SS..Hα-helixtrans-73.2-25.2177.4-61.20000113.6R352 N364 A365 E366 G372R352-S368 PolarHBondContact NE-OG 2.9Å; R352-S368 PolarHBondContact NH2-OG 3.36Å; R352-S368 VanDerWaalsContact NH2-OG 3.13Å; N364-S368 VanDerWaalsContact O-CB 3.26Å; N364-S368 WeakPolarHBondContact O-CB 3.43Å; N364-S368 PolarHBondContact O-N 3.19Å; N364-S368 VanDerWaalsContact O-N 3.09Å; N364-S368 PolarHBondContact O-OG 3.26Å; A365-S368 PolarHBondContact O-N 2.82Å; A365-S368 VanDerWaalsContact O-N 3.16Å; E366-S368 PolarHBondContact O-N 3.06Å; S368-G372 PolarHBondContact O-N 3.3Å
369V94.1Very high92.5Very high96 Ų9657 Ų5758%0.58234%0.336SS*.Hα-helixtrans-70.2-48.8167.9172.70000110.1A365 E366 L371 G372 L373A365-V369 PolarHBondContact O-N 3.08Å; E366-V369 WeakPolarHBondContact O-CA 3.42Å; E366-V369 WeakPolarHBondContact O-CB 3.32Å; E366-V369 PolarHBondContact O-N 3.17Å; V369-L371 VanDerWaalsContact C-N 3.32Å; V369-L371 PolarHBondContact O-N 3.11Å; V369-G372 WeakPolarHBondContact O-CA 3.29Å; V369-G372 PolarHBondContact O-N 3.47Å; V369-L373 PolarHBondContact O-N 3.15Å
370Q93.3Very high92.8Very high30 Ų3063.1 Ų63.114%0.1437%0.365CS..Hα-helixtrans-60.5-42.1178.7-167.76523.400111.8I308 T310 L355 E366 I367 G372 L373 E374I308-Q370 HydrophobicContact CB-CB 4.4Å; I308-Q370 HydrophobicContact CB-CG 4.2Å; I308-Q370 HydrophobicContact CD1-CB 4.21Å; I308-Q370 HydrophobicContact CG2-CB 4.14Å; I308-Q370 HydrophobicContact CG2-CG 3.87Å; T310-Q370 HydrophobicContact CG2-CG 3.5Å; T310-Q370 VanDerWaalsContact CG2-CG 3.5Å; L355-Q370 HydrophobicContact CD2-CB 4.27Å; L355-Q370 HydrophobicContact CD2-CG 4.12Å; E366-Q370 PolarHBondContact O-N 2.9Å; I367-Q370 PolarHBondContact O-N 3.03Å; Q370-G372 VanDerWaalsContact C-N 3.29Å; Q370-G372 PolarHBondContact O-N 2.89Å; Q370-L373 WeakPolarHBondContact O-CB 3.05Å; Q370-L373 PolarHBondContact O-N 3.31Å; Q370-L373 VanDerWaalsContact O-N 3.07Å; Q370-E374 HydrophobicContact CG-CG 4.41Å; Q370-E374 PolarHBondContact NE2-OE1 2.89Å; Q370-E374 WeakPolarHBondContact O-CG 3.41Å; Q370-E374 PolarHBondContact O-N 3.37Å
371L94.5Very high93Very high0 Ų064.1 Ų64.10%036%0.359CS..Hα-helixtrans-57.7-40.3172.7-75.1167.2000112.1F344 W347 A348 H351 R352 L355 I367 V369 L373 W375F344-L371 HydrophobicContact CE2-CB 4.47Å; F344-L371 HydrophobicContact CZ-CB 4.4Å; W347-L371 HydrophobicContact CH2-CB 4.21Å; W347-L371 HydrophobicContact CH2-CD2 3.57Å; W347-L371 HydrophobicContact CH2-CG 4.49Å; W347-L371 VanDerWaalsContact CH2-O 3.22Å; W347-L371 WeakPolarHBondContact CH2-O 3.42Å; W347-L371 HydrophobicContact CZ2-CD2 4.47Å; W347-L371 HydrophobicContact CZ3-CB 3.82Å; W347-L371 HydrophobicContact CZ3-CD2 3.6Å; W347-L371 HydrophobicContact CZ3-CG 4.3Å; W347-L371 WeakPolarHBondContact CZ3-O 3.29Å; A348-L371 HydrophobicContact CB-CD1 4.33Å; H351-L371 HydrophobicContact CB-CD2 3.9Å; R352-L371 HydrophobicContact CB-CD1 3.59Å; R352-L371 HydrophobicContact CG-CD1 3.97Å; L355-L371 HydrophobicContact CD1-CD2 4.28Å; L355-L371 HydrophobicContact CD2-CD2 4.02Å; L355-L371 HydrophobicContact CD2-CG 4.09Å; I367-L371 HydrophobicContact CG2-CD1 3.91Å; I367-L371 HydrophobicContact CG2-CG 4.36Å; I367-L371 WeakPolarHBondContact O-CB 3.4Å; I367-L371 WeakPolarHBondContact O-CD1 3.1Å; I367-L371 WeakPolarHBondContact O-CG 3.29Å; I367-L371 PolarHBondContact O-N 3.17Å; V369-L371 VanDerWaalsContact C-N 3.32Å; V369-L371 PolarHBondContact O-N 3.11Å; L371-L373 VanDerWaalsContact C-N 3.34Å; L371-W375 VanDerWaalsContact O-CB 3.31Å; L371-W375 WeakPolarHBondContact O-CB 3.23Å; L371-W375 PolarHBondContact O-N 2.93Å
372G95.5Very high93.2Very high20 Ų2063.3 Ų63.321%0.20634%0.338CS..Hα-helixtrans-63.2-38.3173.700000113S368 V369 Q370 N376S368-G372 PolarHBondContact O-N 3.3Å; V369-G372 WeakPolarHBondContact O-CA 3.29Å; V369-G372 PolarHBondContact O-N 3.47Å; Q370-G372 VanDerWaalsContact C-N 3.29Å; Q370-G372 PolarHBondContact O-N 2.89Å; G372-N376 PolarHBondContact O-N 3.16Å; G372-N376 PolarHBondContact O-ND2 2.97Å; G372-N376 PolarHBondContact O-OD1 3.19Å
373L94.4Very high93.4Very high87 Ų8764.1 Ų64.146%0.45534%0.34SS..Hα-helixtrans-68.1-48.6175.7-64.3176.5000111.9V369 Q370 L371 N376 K377V369-L373 PolarHBondContact O-N 3.15Å; Q370-L373 WeakPolarHBondContact O-CB 3.05Å; Q370-L373 PolarHBondContact O-N 3.31Å; Q370-L373 VanDerWaalsContact O-N 3.07Å; L371-L373 VanDerWaalsContact C-N 3.34Å; L373-N376 PolarHBondContact O-N 2.8Å; L373-K377 WeakPolarHBondContact O-CG 3.49Å; L373-K377 PolarHBondContact O-N 3.23Å
374E93.1Very high93.6Very high12 Ų1266.1 Ų66.16%0.05634%0.344CS..Hα-helixtrans-64.9-41.9179.2-59-53.2157.400111.9T310 L315 W347 Q370 N376 K377 L378T310-E374 WeakPolarHBondContact CB-OE1 3.22Å; T310-E374 HydrophobicContact CG2-CG 3.99Å; T310-E374 WeakPolarHBondContact CG2-OE1 3.44Å; T310-E374 PolarHBondContact OG1-OE1 2.99Å; L315-E374 HydrophobicContact CD1-CB 4.15Å; L315-E374 HydrophobicContact CD1-CG 3.98Å; L315-E374 HydrophobicContact CD2-CB 4.28Å; L315-E374 HydrophobicContact CD2-CG 4.39Å; W347-E374 HydrophobicContact CH2-CB 3.99Å; W347-E374 HydrophobicContact CZ2-CB 4.24Å; Q370-E374 HydrophobicContact CG-CG 4.41Å; Q370-E374 PolarHBondContact NE2-OE1 2.89Å; Q370-E374 WeakPolarHBondContact O-CG 3.41Å; Q370-E374 PolarHBondContact O-N 3.37Å; E374-N376 VanDerWaalsContact C-N 3.26Å; E374-N376 PolarHBondContact O-N 2.67Å; E374-K377 WeakPolarHBondContact O-CB 3.44Å; E374-K377 PolarHBondContact O-N 3.49Å; E374-K377 IonicContact OE1-NZ 3.82Å; E374-K377 PolarHBondContact OE1-NZ 3.31Å; E374-K377 WeakPolarHBondContact OE2-CD 3.3Å; E374-K377 VanDerWaalsContact OE2-CE 3.29Å; E374-K377 WeakPolarHBondContact OE2-CE 3.36Å; E374-K377 IonicContact OE2-NZ 2.74Å; E374-K377 PolarHBondContact OE2-NZ 3.28Å; E374-L378 PolarHBondContact O-N 3.07Å
375W94.7Very high93.7Very high22 Ų2262.8 Ų62.88%0.08333%0.328CS..Hα-helixtrans-56.7-39.6174.3173.6-97.1000112.4A343 F344 W347 L371 K377 L378 K383 Y386 Y387A343-W375 HydrophobicContact CB-CH2 3.84Å; A343-W375 HydrophobicContact CB-CZ2 4.08Å; F344-W375 HydrophobicContact CB-CD2 4.35Å; F344-W375 HydrophobicContact CD2-CB 3.71Å; F344-W375 AromaticContact CD2-CD1 3.9Å; F344-W375 AromaticContact CD2-CD2 3.9Å; F344-W375 HydrophobicContact CD2-CD2 3.9Å; F344-W375 HydrophobicContact CD2-CE3 4.48Å; F344-W375 AromaticContact CD2-CG 3.53Å; F344-W375 HydrophobicContact CD2-CG 3.53Å; F344-W375 HydrophobicContact CE2-CB 3.86Å; F344-W375 HydrophobicContact CE2-CG 4.19Å; W347-W375 HydrophobicContact CB-CE3 3.81Å; W347-W375 HydrophobicContact CB-CZ3 3.57Å; W347-W375 AromaticContact CD2-CE3 3.63Å; W347-W375 HydrophobicContact CD2-CE3 3.63Å; W347-W375 HydrophobicContact CD2-CZ3 4.26Å; W347-W375 HydrophobicContact CE3-CB 4.09Å; W347-W375 HydrophobicContact CE3-CD2 4.48Å; W347-W375 AromaticContact CE3-CE3 3.86Å; W347-W375 HydrophobicContact CE3-CE3 3.86Å; W347-W375 AromaticContact CG-CE3 3.59Å; W347-W375 HydrophobicContact CG-CE3 3.59Å; W347-W375 AromaticContact CG-CZ3 3.72Å; W347-W375 HydrophobicContact CG-CZ3 3.72Å; W347-W375 HydrophobicContact CH2-CB 4.08Å; W347-W375 HydrophobicContact CZ3-CB 3.78Å; L371-W375 VanDerWaalsContact O-CB 3.31Å; L371-W375 WeakPolarHBondContact O-CB 3.23Å; L371-W375 PolarHBondContact O-N 2.93Å; W375-K377 VanDerWaalsContact C-N 3.31Å; W375-K377 PolarHBondContact O-N 2.94Å; W375-L378 HydrophobicContact CE3-CD1 3.93Å; W375-L378 HydrophobicContact CZ3-CD1 4.39Å; W375-L378 PolarHBondContact O-N 3.27Å; W375-K383 HydrophobicContact CH2-CB 3.95Å; W375-K383 HydrophobicContact CH2-CG 3.82Å; W375-K383 HydrophobicContact CZ2-CB 4.25Å; W375-K383 HydrophobicContact CZ2-CD 4.34Å; W375-K383 HydrophobicContact CZ2-CG 3.89Å; W375-K383 HydrophobicContact CZ3-CG 4.13Å; W375-K383 WeakPolarHBondContact O-CE 3.5Å; W375-K383 PolarHBondContact O-NZ 3.25Å; W375-Y386 HydrophobicContact CZ3-CD2 4.08Å; W375-Y386 HydrophobicContact CZ3-CG 4.19Å; W375-Y387 HydrophobicContact CZ2-CE2 4.26Å
376N94.4Very high93.8Very high115 Ų11560.1 Ų60.162%0.61531%0.305SS*.Hα-helixtrans-66.6-33.4178.3-71.7-11.5000112.2G372 L373 E374 K383G372-N376 PolarHBondContact O-N 3.16Å; G372-N376 PolarHBondContact O-ND2 2.97Å; G372-N376 PolarHBondContact O-OD1 3.19Å; L373-N376 PolarHBondContact O-N 2.8Å; E374-N376 VanDerWaalsContact C-N 3.26Å; E374-N376 PolarHBondContact O-N 2.67Å; N376-K383 PolarHBondContact O-NZ 3.27Å
377K93.9Very high93.9Very high139 Ų13962.7 Ų62.760%0.60431%0.312SS*.Hα-helixtrans-72.9-25.4177.7-62.8178.1-148.6164.90114.5L373 E374 W375L373-K377 WeakPolarHBondContact O-CG 3.49Å; L373-K377 PolarHBondContact O-N 3.23Å; E374-K377 WeakPolarHBondContact O-CB 3.44Å; E374-K377 PolarHBondContact O-N 3.49Å; E374-K377 IonicContact OE1-NZ 3.82Å; E374-K377 PolarHBondContact OE1-NZ 3.31Å; E374-K377 WeakPolarHBondContact OE2-CD 3.3Å; E374-K377 VanDerWaalsContact OE2-CE 3.29Å; E374-K377 WeakPolarHBondContact OE2-CE 3.36Å; E374-K377 IonicContact OE2-NZ 2.74Å; E374-K377 PolarHBondContact OE2-NZ 3.28Å; W375-K377 VanDerWaalsContact C-N 3.31Å; W375-K377 PolarHBondContact O-N 2.94Å
378L91.8Very high94Very high15 Ų1566.6 Ų66.68%0.07933%0.333CS..SBendtrans-59.6144.7178.9-64.7174000110.7W347 E374 W375 Q382 K383W347-L378 HydrophobicContact CZ2-CD1 4.21Å; E374-L378 PolarHBondContact O-N 3.07Å; W375-L378 HydrophobicContact CE3-CD1 3.93Å; W375-L378 HydrophobicContact CZ3-CD1 4.39Å; W375-L378 PolarHBondContact O-N 3.27Å; L378-Q382 HydrophobicContact CB-CB 4.15Å; L378-Q382 HydrophobicContact CD2-CB 4.45Å; L378-Q382 VanDerWaalsContact CD2-OE1 3.28Å; L378-K383 HydrophobicContact CB-CG 4.05Å; L378-K383 WeakPolarHBondContact O-CE 3.5Å; L378-K383 PolarHBondContact O-NZ 3.15Å
379S94.9Very high93.9Very high38 Ų3866.6 Ų66.627%0.26633%0.329SS..  trans-71.8171173.672.20000112E381 Q382 K383S379-E381 WeakPolarHBondContact CB-OE2 3.45Å; S379-E381 PolarHBondContact OG-OE2 3.42Å; S379-Q382 PolarHBondContact O-N 3.22Å; S379-Q382 VanDerWaalsContact OG-CG 3.29Å; S379-Q382 WeakPolarHBondContact OG-CG 3.24Å; S379-Q382 PolarHBondContact OG-N 3.05Å; S379-K383 WeakPolarHBondContact O-CD 3.47Å; S379-K383 VanDerWaalsContact O-CG 3.26Å; S379-K383 WeakPolarHBondContact O-CG 3.11Å; S379-K383 PolarHBondContact O-N 3.28Å
380E94Very high93.9Very high152 Ų15262.5 Ų62.571%0.7131%0.305SS*.Hα-helixtrans-73.1-36-177.4-57.4-151.4154.700111.6Q382 K383 K384E380-Q382 VanDerWaalsContact C-N 3.31Å; E380-Q382 PolarHBondContact O-N 3.46Å; E380-K383 CarbonylContact O-C 3.55Å; E380-K383 PolarHBondContact O-N 3.49Å; E380-K383 VanDerWaalsContact O-N 3.09Å; E380-K384 WeakPolarHBondContact O-CB 3.26Å; E380-K384 PolarHBondContact O-N 3.28Å
381E93.2Very high94Very high135 Ų13566.1 Ų66.163%0.63132%0.322SS*.Hα-helixtrans-61.7-38.3171.1-33.570.7-118.600111.6S379 K384 P385S379-E381 WeakPolarHBondContact CB-OE2 3.45Å; S379-E381 PolarHBondContact OG-OE2 3.42Å; E381-K384 WeakPolarHBondContact O-CB 3.18Å; E381-P385 VanDerWaalsContact O-CD 3.29Å; E381-P385 WeakPolarHBondContact O-CD 3.43Å
382Q91.9Very high93.9Very high84 Ų8469.6 Ų69.639%0.39334%0.337SS..Hα-helixtrans-68-35.3172.6-73.2173-8.300112.1L378 S379 E380 Y386L378-Q382 HydrophobicContact CB-CB 4.15Å; L378-Q382 HydrophobicContact CD2-CB 4.45Å; L378-Q382 VanDerWaalsContact CD2-OE1 3.28Å; S379-Q382 PolarHBondContact O-N 3.22Å; S379-Q382 VanDerWaalsContact OG-CG 3.29Å; S379-Q382 WeakPolarHBondContact OG-CG 3.24Å; S379-Q382 PolarHBondContact OG-N 3.05Å; E380-Q382 VanDerWaalsContact C-N 3.31Å; E380-Q382 PolarHBondContact O-N 3.46Å; Q382-Y386 VanDerWaalsContact O-CD2 3.23Å; Q382-Y386 WeakPolarHBondContact O-CD2 3.42Å; Q382-Y386 WeakPolarHBondContact O-CE2 3.33Å
383K93.9Very high93.8Very high29 Ų2969.3 Ų69.313%0.12633%0.33CS..Hα-helixtrans-75.4-31.3177.4-70160.3173.6147.30112.7W375 N376 L378 S379 E380 Y386 Y387W375-K383 HydrophobicContact CH2-CB 3.95Å; W375-K383 HydrophobicContact CH2-CG 3.82Å; W375-K383 HydrophobicContact CZ2-CB 4.25Å; W375-K383 HydrophobicContact CZ2-CD 4.34Å; W375-K383 HydrophobicContact CZ2-CG 3.89Å; W375-K383 HydrophobicContact CZ3-CG 4.13Å; W375-K383 WeakPolarHBondContact O-CE 3.5Å; W375-K383 PolarHBondContact O-NZ 3.25Å; N376-K383 PolarHBondContact O-NZ 3.27Å; L378-K383 HydrophobicContact CB-CG 4.05Å; L378-K383 WeakPolarHBondContact O-CE 3.5Å; L378-K383 PolarHBondContact O-NZ 3.15Å; S379-K383 WeakPolarHBondContact O-CD 3.47Å; S379-K383 VanDerWaalsContact O-CG 3.26Å; S379-K383 WeakPolarHBondContact O-CG 3.11Å; S379-K383 PolarHBondContact O-N 3.28Å; E380-K383 CarbonylContact O-C 3.55Å; E380-K383 PolarHBondContact O-N 3.49Å; E380-K383 VanDerWaalsContact O-N 3.09Å; K383-Y386 WeakPolarHBondContact O-CB 3.07Å; K383-Y386 PolarHBondContact O-N 2.93Å; K383-Y387 HydrophobicContact CB-CD2 3.95Å; K383-Y387 HydrophobicContact CB-CE2 3.67Å; K383-Y387 WeakPolarHBondContact O-CD2 3.06Å; K383-Y387 PolarHBondContact O-N 3.24Å; K383-Y387 VanDerWaalsContact O-N 3.15Å
384K94.9Very high93.7Very high133 Ų13371.8 Ų71.858%0.57834%0.337SS*.Hα-helixtrans-44.5-55.9-176.5-172169.6-1781730114.6E380 E381 Y386 Y387 D388E380-K384 WeakPolarHBondContact O-CB 3.26Å; E380-K384 PolarHBondContact O-N 3.28Å; E381-K384 WeakPolarHBondContact O-CB 3.18Å; K384-Y386 PolarHBondContact O-N 3.23Å; K384-Y387 WeakPolarHBondContact O-CA 3Å; K384-Y387 WeakPolarHBondContact O-CB 2.93Å; K384-Y387 PolarHBondContact O-N 3.13Å; K384-D388 VanDerWaalsContact O-CG 3.25Å; K384-D388 PolarHBondContact O-N 2.73Å
385P93.4Very high93.7Very high32 Ų3274.2 Ų74.221%0.20835%0.349CS..Hα-helixtrans-60.4-24.8179.923.7-35.3000114.1L318 E381 E389L318-P385 HydrophobicContact CD2-CB 3.98Å; L318-P385 HydrophobicContact CD2-CG 3.84Å; E381-P385 VanDerWaalsContact O-CD 3.29Å; E381-P385 WeakPolarHBondContact O-CD 3.43Å; P385-E389 WeakPolarHBondContact O-CB 3.38Å; P385-E389 WeakPolarHBondContact O-CG 3.14Å; P385-E389 PolarHBondContact O-N 3.27Å
386Y93.4Very high93.6Very high3 Ų376.4 Ų76.41%0.01236%0.359CS..Hα-helixtrans-82.5-26.5174.7-50.8-82.4000112.5V317 P319 A343 V346 W347 I350 W375 Q382 K383 K384 A390V317-Y386 PolarHBondContact O-OH 3.38Å; P319-Y386 HydrophobicContact CG-CD1 3.52Å; P319-Y386 HydrophobicContact CG-CE1 3.7Å; P319-Y386 HydrophobicContact CG-CG 4.33Å; A343-Y386 WeakPolarHBondContact CA-O 3.38Å; A343-Y386 VanDerWaalsContact CB-O 3.32Å; A343-Y386 WeakPolarHBondContact CB-O 3.22Å; V346-Y386 HydrophobicContact CG1-CD1 4.46Å; W347-Y386 HydrophobicContact CB-CD1 3.62Å; W347-Y386 HydrophobicContact CB-CE1 3.99Å; W347-Y386 HydrophobicContact CB-CG 3.93Å; W347-Y386 AromaticContact CD1-CE1 3.67Å; W347-Y386 AromaticContact CD1-CE2 3.75Å; W347-Y386 AromaticContact CD1-CZ 3.49Å; W347-Y386 VanDerWaalsContact CD1-CZ 3.49Å; W347-Y386 HydrophobicContact CG-CD1 4.29Å; W347-Y386 HydrophobicContact CG-CE1 4.24Å; I350-Y386 HydrophobicContact CD1-CD1 4.48Å; I350-Y386 HydrophobicContact CD1-CE1 3.8Å; W375-Y386 HydrophobicContact CZ3-CD2 4.08Å; W375-Y386 HydrophobicContact CZ3-CG 4.19Å; Q382-Y386 VanDerWaalsContact O-CD2 3.23Å; Q382-Y386 WeakPolarHBondContact O-CD2 3.42Å; Q382-Y386 WeakPolarHBondContact O-CE2 3.33Å; K383-Y386 WeakPolarHBondContact O-CB 3.07Å; K383-Y386 PolarHBondContact O-N 2.93Å; K384-Y386 PolarHBondContact O-N 3.23Å; Y386-A390 WeakPolarHBondContact O-CB 3.48Å; Y386-A390 PolarHBondContact O-N 3.2Å; Y386-A390 VanDerWaalsContact O-N 3.12Å
387Y95.2Very high93.5Very high133 Ų13371 Ų7152%0.52233%0.33SS..Hα-helixtrans-70.4-46.1168.3-77.2-71.4000111.2A343 W375 K383 K384 E389 A390 Q391A343-Y387 HydrophobicContact CB-CD1 3.6Å; A343-Y387 HydrophobicContact CB-CD2 4.45Å; A343-Y387 HydrophobicContact CB-CE1 3.85Å; A343-Y387 HydrophobicContact CB-CG 3.92Å; W375-Y387 HydrophobicContact CZ2-CE2 4.26Å; K383-Y387 HydrophobicContact CB-CD2 3.95Å; K383-Y387 HydrophobicContact CB-CE2 3.67Å; K383-Y387 WeakPolarHBondContact O-CD2 3.06Å; K383-Y387 PolarHBondContact O-N 3.24Å; K383-Y387 VanDerWaalsContact O-N 3.15Å; K384-Y387 WeakPolarHBondContact O-CA 3Å; K384-Y387 WeakPolarHBondContact O-CB 2.93Å; K384-Y387 PolarHBondContact O-N 3.13Å; Y387-E389 PolarHBondContact O-N 2.93Å; Y387-A390 CarbonylContact O-C 3.48Å; Y387-A390 PolarHBondContact O-N 3.38Å; Y387-A390 VanDerWaalsContact O-N 3.15Å; Y387-Q391 PolarHBondContact O-N 3.39Å
388D94.8Very high93.4Very high83 Ų8371.5 Ų71.544%0.44433%0.328SS..Hα-helixtrans-59.2-48.9179.4-56.8-29.5000111K384 A390 Q391 K392K384-D388 VanDerWaalsContact O-CG 3.25Å; K384-D388 PolarHBondContact O-N 2.73Å; D388-A390 PolarHBondContact O-N 3.09Å; D388-Q391 PolarHBondContact O-N 2.92Å; D388-K392 WeakPolarHBondContact O-CB 3.26Å; D388-K392 PolarHBondContact O-N 3.41Å
389E92.8Very high93.4Very high41 Ų4176.5 Ų76.519%0.19235%0.351CS..Hα-helixtrans-67.7-32.5175.8-75.1-70.9149.800113P319 P385 Y387 K392 I393P319-E389 HydrophobicContact CB-CB 4.3Å; P319-E389 HydrophobicContact CB-CG 3.83Å; P319-E389 HydrophobicContact CG-CB 4.31Å; P319-E389 HydrophobicContact CG-CG 4.02Å; P385-E389 WeakPolarHBondContact O-CB 3.38Å; P385-E389 WeakPolarHBondContact O-CG 3.14Å; P385-E389 PolarHBondContact O-N 3.27Å; Y387-E389 PolarHBondContact O-N 2.93Å; E389-K392 WeakPolarHBondContact OE1-CD 3.3Å; E389-K392 IonicContact OE1-NZ 2.68Å; E389-K392 PolarHBondContact OE1-NZ 3.46Å; E389-K392 WeakPolarHBondContact OE2-CD 3.23Å; E389-K392 IonicContact OE2-NZ 3.53Å; E389-K392 PolarHBondContact OE2-NZ 2.89Å; E389-I393 VanDerWaalsContact O-CB 3.23Å; E389-I393 WeakPolarHBondContact O-CB 3.45Å; E389-I393 WeakPolarHBondContact O-CD1 3.36Å; E389-I393 WeakPolarHBondContact O-CG1 3.17Å; E389-I393 PolarHBondContact O-N 3.38Å
390A93.9Very high93.3Very high10 Ų1079.6 Ų79.68%0.08336%0.361CS..Hα-helixtrans-69.2-32172.600000112.9A343 V346 Y386 Y387 D388 K394A343-A390 HydrophobicContact CB-CB 4.13Å; A343-A390 VanDerWaalsContact N-CB 3.3Å; V346-A390 HydrophobicContact CG2-CB 4.3Å; Y386-A390 WeakPolarHBondContact O-CB 3.48Å; Y386-A390 PolarHBondContact O-N 3.2Å; Y386-A390 VanDerWaalsContact O-N 3.12Å; Y387-A390 CarbonylContact O-C 3.48Å; Y387-A390 PolarHBondContact O-N 3.38Å; Y387-A390 VanDerWaalsContact O-N 3.15Å; D388-A390 PolarHBondContact O-N 3.09Å; A390-K394 VanDerWaalsContact O-CB 3.29Å; A390-K394 WeakPolarHBondContact O-CB 3.31Å; A390-K394 PolarHBondContact O-N 3.02Å
391Q94.6Very high93.1Very high106 Ų10674 Ų7450%0.49533%0.334SS..Hα-helixtrans-67.9-52.2171173.5169.1-26.400110.6Y387 D388 I393 K394 E395Y387-Q391 PolarHBondContact O-N 3.39Å; D388-Q391 PolarHBondContact O-N 2.92Å; Q391-I393 PolarHBondContact O-N 3.39Å; Q391-K394 CarbonylContact O-C 3.56Å; Q391-K394 WeakPolarHBondContact O-CA 3.45Å; Q391-K394 WeakPolarHBondContact O-CB 3.28Å; Q391-K394 PolarHBondContact O-N 3.25Å; Q391-E395 HydrophobicContact CG-CG 4.25Å; Q391-E395 VanDerWaalsContact CG-OE1 3.28Å; Q391-E395 WeakPolarHBondContact CG-OE1 3.44Å; Q391-E395 PolarHBondContact NE2-OE1 3.03Å; Q391-E395 WeakPolarHBondContact O-CG 3.48Å; Q391-E395 PolarHBondContact O-N 3.37Å
392K93.6Very high92.9Very high73 Ų7372.7 Ų72.732%0.31734%0.338SS..Hα-helixtrans-53.3-39.3173.9176.1179.5162.4-138.80112.3D388 E389 K396D388-K392 WeakPolarHBondContact O-CB 3.26Å; D388-K392 PolarHBondContact O-N 3.41Å; E389-K392 WeakPolarHBondContact OE1-CD 3.3Å; E389-K392 IonicContact OE1-NZ 2.68Å; E389-K392 PolarHBondContact OE1-NZ 3.46Å; E389-K392 WeakPolarHBondContact OE2-CD 3.23Å; E389-K392 IonicContact OE2-NZ 3.53Å; E389-K392 PolarHBondContact OE2-NZ 2.89Å; K392-K396 WeakPolarHBondContact O-CB 3.46Å; K392-K396 WeakPolarHBondContact O-CG 3.46Å; K392-K396 PolarHBondContact O-N 3.18Å
393I92.1Very high92.7Very high13 Ų1372.2 Ų72.27%0.06736%0.356CS..Hα-helixtrans-66.5-43.8172.4-76.7166.7000111.8P328 F329 P340 M341 V346 E389 Q391 E395 H397P328-I393 HydrophobicContact CG-CD1 4.25Å; P328-I393 HydrophobicContact CG-CG1 4.12Å; P328-I393 HydrophobicContact CG-CG2 3.75Å; F329-I393 HydrophobicContact CE1-CG2 3.73Å; F329-I393 WeakPolarHBondContact CE1-O 3.15Å; F329-I393 HydrophobicContact CZ-CB 4.41Å; F329-I393 HydrophobicContact CZ-CG2 4.07Å; F329-I393 WeakPolarHBondContact CZ-O 3.49Å; P340-I393 HydrophobicContact CB-CG2 4.04Å; M341-I393 HydrophobicContact CB-CG2 4.07Å; V346-I393 HydrophobicContact CG2-CD1 3.77Å; E389-I393 VanDerWaalsContact O-CB 3.23Å; E389-I393 WeakPolarHBondContact O-CB 3.45Å; E389-I393 WeakPolarHBondContact O-CD1 3.36Å; E389-I393 WeakPolarHBondContact O-CG1 3.17Å; E389-I393 PolarHBondContact O-N 3.38Å; Q391-I393 PolarHBondContact O-N 3.39Å; I393-E395 VanDerWaalsContact C-N 3.32Å; I393-E395 PolarHBondContact O-N 2.95Å; I393-H397 VanDerWaalsContact O-CB 3.31Å; I393-H397 WeakPolarHBondContact O-CB 3.34Å; I393-H397 PolarHBondContact O-N 2.97Å; I393-H397 VanDerWaalsContact O-N 3.08Å
394K92.6Very high92.6Very high139 Ų13974.6 Ų74.660%0.60436%0.364SS*.Hα-helixtrans-64-34.7176.3173.6-167.5170.6-161.80112.5P340 A390 Q391 R398P340-K394 HydrophobicContact CB-CB 4.39Å; P340-K394 HydrophobicContact CG-CB 4.49Å; A390-K394 VanDerWaalsContact O-CB 3.29Å; A390-K394 WeakPolarHBondContact O-CB 3.31Å; A390-K394 PolarHBondContact O-N 3.02Å; Q391-K394 CarbonylContact O-C 3.56Å; Q391-K394 WeakPolarHBondContact O-CA 3.45Å; Q391-K394 WeakPolarHBondContact O-CB 3.28Å; Q391-K394 PolarHBondContact O-N 3.25Å; K394-R398 PolarHBondContact O-N 3.07Å
395E93.5Very high92.4Very high63 Ų6373 Ų7329%0.29437%0.365SS..Hα-helixtrans-74.3-54.3-179.9-70.2170.7167.600111.3Q391 I393 H397 R398 E399Q391-E395 HydrophobicContact CG-CG 4.25Å; Q391-E395 VanDerWaalsContact CG-OE1 3.28Å; Q391-E395 WeakPolarHBondContact CG-OE1 3.44Å; Q391-E395 PolarHBondContact NE2-OE1 3.03Å; Q391-E395 WeakPolarHBondContact O-CG 3.48Å; Q391-E395 PolarHBondContact O-N 3.37Å; I393-E395 VanDerWaalsContact C-N 3.32Å; I393-E395 PolarHBondContact O-N 2.95Å; E395-H397 PolarHBondContact O-N 2.87Å; E395-H397 VanDerWaalsContact O-N 3.1Å; E395-R398 WeakPolarHBondContact O-CA 3.29Å; E395-R398 WeakPolarHBondContact O-CB 3.22Å; E395-R398 PolarHBondContact O-N 3.35Å; E395-E399 VanDerWaalsContact O-CD 3.3Å; E395-E399 PolarHBondContact O-N 2.9Å
396K91.8Very high92.4Very high68 Ų6876.6 Ų76.630%0.29638%0.375SS..Hα-helixtrans-50.2-38.6170.6-73.8-179178.1-164.20112.3D326 F329 K392 E399 E400D326-K396 IonicContact OD1-NZ 2.88Å; D326-K396 PolarHBondContact OD1-NZ 3.43Å; F329-K396 HydrophobicContact CE2-CB 3.62Å; F329-K396 HydrophobicContact CE2-CD 4.26Å; F329-K396 HydrophobicContact CZ-CB 3.59Å; F329-K396 HydrophobicContact CZ-CD 4.49Å; K392-K396 WeakPolarHBondContact O-CB 3.46Å; K392-K396 WeakPolarHBondContact O-CG 3.46Å; K392-K396 PolarHBondContact O-N 3.18Å; K396-E399 PolarHBondContact O-N 2.85Å; K396-E400 WeakPolarHBondContact O-CB 3.26Å; K396-E400 PolarHBondContact O-N 2.69Å
397H92.3Very high92.2Very high3 Ų384 Ų841%0.01441%0.41CS..Hα-helixtrans-65.2-41.2177-167.465.8000114F329 V337 K338 P340 I393 E395 E399 F401 W404F329-H397 HydrophobicContact CD1-CB 3.82Å; F329-H397 AromaticContact CD1-CG 3.89Å; F329-H397 AromaticContact CD1-ND1 3.24Å; F329-H397 WeakPolarHBondContact CD1-ND1 3.29Å; F329-H397 HydrophobicContact CE1-CB 3.59Å; F329-H397 AromaticContact CE1-ND1 3.94Å; F329-H397 AromaticContact CG-ND1 3.9Å; F329-H397 HydrophobicContact CZ-CB 4.34Å; V337-H397 WeakPolarHBondContact CG1-CE1 3.5Å; K338-H397 PolarHBondContact O-CE1 3.26Å; K338-H397 PolarHBondContact O-NE2 2.62Å; P340-H397 HydrophobicContact CB-CB 4Å; P340-H397 HydrophobicContact CG-CB 4.45Å; I393-H397 VanDerWaalsContact O-CB 3.31Å; I393-H397 WeakPolarHBondContact O-CB 3.34Å; I393-H397 PolarHBondContact O-N 2.97Å; I393-H397 VanDerWaalsContact O-N 3.08Å; E395-H397 PolarHBondContact O-N 2.87Å; E395-H397 VanDerWaalsContact O-N 3.1Å; H397-E399 VanDerWaalsContact C-N 3.29Å; H397-F401 AromaticContact CE1-CD2 3.68Å; H397-F401 AromaticContact ND1-CD2 3.68Å; H397-F401 PolarHBondContact O-N 3.12Å; H397-W404 AromaticContact NE2-CD2 3.52Å; H397-W404 AromaticContact NE2-CE2 3.68Å; H397-W404 AromaticContact NE2-CE3 3.86Å; H397-W404 AromaticContact NE2-CG 3.83Å
398R92.5Very high91.9Very high149 Ų14981.7 Ų81.756%0.56241%0.411SS*.Hα-helixtrans-67-33.4177.1172.6-16663.5-164.2-7111.1K394 E395 F401 P402K394-R398 PolarHBondContact O-N 3.07Å; E395-R398 WeakPolarHBondContact O-CA 3.29Å; E395-R398 WeakPolarHBondContact O-CB 3.22Å; E395-R398 PolarHBondContact O-N 3.35Å; R398-F401 CarbonylContact O-C 3.58Å; R398-P402 WeakPolarHBondContact O-CA 3.39Å
399E92.6Very high91.5Very high120 Ų12087 Ų8756%0.56143%0.425SS*.Hα-helixtrans-77.4-40177.4-73.8141-139.800113.2E395 K396 H397 P402E395-E399 VanDerWaalsContact O-CD 3.3Å; E395-E399 PolarHBondContact O-N 2.9Å; K396-E399 PolarHBondContact O-N 2.85Å; H397-E399 VanDerWaalsContact C-N 3.29Å; E399-P402 WeakPolarHBondContact O-CD 3.42Å
400E91.3Very high91Very high103 Ų10391.3 Ų91.348%0.48146%0.456SS..Hα-helixtrans-73.6-30.8175.4-166.7-173.716800112.1F329 K396 P402F329-E400 VanDerWaalsContact CB-OE2 3.29Å; F329-E400 WeakPolarHBondContact CB-OE2 3.43Å; F329-E400 WeakPolarHBondContact CD2-OE2 3.43Å; F329-E400 WeakPolarHBondContact CG-OE2 3.37Å; K396-E400 WeakPolarHBondContact O-CB 3.26Å; K396-E400 PolarHBondContact O-N 2.69Å; E400-P402 VanDerWaalsContact C-CD 3.47Å; E400-P402 WeakPolarHBondContact O-CD 3.38Å
401F89.9Confident90.2Very high33 Ų3393.6 Ų93.615%0.14548%0.481CS..SBendtrans-12766.6-179.6-53.8-79.8000112.6F329 V337 H397 R398 G403 W404F329-F401 HydrophobicContact CB-CE2 3.89Å; V337-F401 HydrophobicContact CB-CD1 4.37Å; V337-F401 HydrophobicContact CG1-CB 4.3Å; V337-F401 HydrophobicContact CG1-CD1 3.88Å; V337-F401 HydrophobicContact CG1-CD2 3.72Å; V337-F401 HydrophobicContact CG1-CE1 4.15Å; V337-F401 HydrophobicContact CG1-CE2 4.02Å; V337-F401 HydrophobicContact CG1-CG 3.66Å; V337-F401 HydrophobicContact CG1-CZ 4.22Å; V337-F401 HydrophobicContact CG2-CD1 3.54Å; V337-F401 HydrophobicContact CG2-CE1 3.57Å; V337-F401 HydrophobicContact CG2-CG 4.19Å; V337-F401 HydrophobicContact CG2-CZ 4.25Å; H397-F401 AromaticContact CE1-CD2 3.68Å; H397-F401 AromaticContact ND1-CD2 3.68Å; H397-F401 PolarHBondContact O-N 3.12Å; R398-F401 CarbonylContact O-C 3.58Å; F401-G403 PolarHBondContact O-N 3.12Å; F401-W404 HydrophobicContact CB-CB 3.77Å; F401-W404 VanDerWaalsContact O-CB 3.31Å; F401-W404 WeakPolarHBondContact O-CB 3.49Å; F401-W404 PolarHBondContact O-N 3.23Å
402P89.1Confident89.2Confident109 Ų10998.7 Ų98.771%0.70850%0.502SS*.THydrogen-bonded Turntrans-61124.1174.126.9-34.1000109.6R398 E399 E400R398-P402 WeakPolarHBondContact O-CA 3.39Å; E399-P402 WeakPolarHBondContact O-CD 3.42Å; E400-P402 VanDerWaalsContact C-CD 3.47Å; E400-P402 WeakPolarHBondContact O-CD 3.38Å
403G88Confident87.9Confident74 Ų74106.2 Ų106.276%0.76353%0.528SS*.THydrogen-bonded Turntrans87.36.7-172.400000115.3F401 V405F401-G403 PolarHBondContact O-N 3.12Å; G403-V405 PolarHBondContact O-N 3.28Å
404W92.6Very high86.4Confident78 Ų78113.4 Ų113.430%0.29556%0.559SS.*  trans-64.7123.7163.9-177.789.2000110.4V337 R339 H397 F401V337-W404 HydrophobicContact CG1-CG 4.19Å; V337-W404 PolarHBondContact O-NE1 3.47Å; R339-W404 HydrophobicContact CB-CH2 4.07Å; R339-W404 HydrophobicContact CB-CZ2 4.18Å; R339-W404 HydrophobicContact CG-CH2 4.02Å; R339-W404 HydrophobicContact CG-CZ2 3.95Å; H397-W404 AromaticContact NE2-CD2 3.52Å; H397-W404 AromaticContact NE2-CE2 3.68Å; H397-W404 AromaticContact NE2-CE3 3.86Å; H397-W404 AromaticContact NE2-CG 3.83Å; F401-W404 HydrophobicContact CB-CB 3.77Å; F401-W404 VanDerWaalsContact O-CB 3.31Å; F401-W404 WeakPolarHBondContact O-CB 3.49Å; F401-W404 PolarHBondContact O-N 3.23Å
405V90.8Very high84.6Confident101 Ų101118.3 Ų118.361%0.61257%0.574SS**  trans-122.7131.9175.4179.70000108.6G403 Q407G403-V405 PolarHBondContact O-N 3.28Å; V405-Q407 PolarHBondContact O-N 2.75Å
406Y92.5Very high82.8Confident106 Ų106123.2 Ų123.242%0.41659%0.594SS.*  trans-66.6103.5174.6168.7-130.4000110.8R339 P408R339-Y406 VanDerWaalsContact CZ-CZ 3.41Å; R339-Y406 PolarHBondContact NH1-OH 3.48Å; R339-Y406 VanDerWaalsContact NH2-CZ 3.32Å; R339-Y406 PolarHBondContact NH2-OH 3.21Å; Y406-P408 HydrophobicContact CE1-CB 4.33Å; Y406-P408 HydrophobicContact CE2-CB 4.28Å; Y406-P408 VanDerWaalsContact O-CD 3.22Å; Y406-P408 WeakPolarHBondContact O-CD 3.41Å
407Q90.1Very high80.9Confident159 Ų159125.4 Ų125.474%0.74362%0.615SS**  trans-95104.7172.4-66.6-178.81.100110.3V405 R409V405-Q407 PolarHBondContact O-N 2.75Å; Q407-R409 PolarHBondContact O-N 3.2Å
408P89.1Confident79Confident84 Ų84133 Ų13355%0.54566%0.655SS.*  trans-65107.9171.325.6-33000109.6Y406 P410Y406-P408 HydrophobicContact CE1-CB 4.33Å; Y406-P408 HydrophobicContact CE2-CB 4.28Å; Y406-P408 VanDerWaalsContact O-CD 3.22Å; Y406-P408 WeakPolarHBondContact O-CD 3.41Å; P408-P410 VanDerWaalsContact O-CD 3.28Å; P408-P410 WeakPolarHBondContact O-CD 3.16Å
409R85.4Confident76.7Confident196 Ų196129.9 Ų129.974%0.7466%0.656SS**  trans-59.4122.5173.2-64.6-170.6-176.1-152.42109.1Q407 G411Q407-R409 PolarHBondContact O-N 3.2Å; R409-G411 PolarHBondContact O-N 3.08Å
410P82.8Confident74.7Confident130 Ų130131.2 Ų131.284%0.84467%0.672SS**  trans-58.4109174-24.935.5000109P408 K412P408-P410 VanDerWaalsContact O-CD 3.28Å; P408-P410 WeakPolarHBondContact O-CD 3.16Å; P410-K412 PolarHBondContact O-N 2.97Å
411G77.2Confident72.6Confident58 Ų58130 Ų13060%0.59868%0.675SS**  trans-64.6127.5-170.800000110.4R409 R413R409-G411 PolarHBondContact O-N 3.08Å; G411-R413 PolarHBondContact O-N 3.28Å
412K72.9Confident70.4Confident213 Ų213135.5 Ų135.593%0.92671%0.706SS**  trans-69.750.2164.8-66.1-171.4-179.8-177.10111P410 K414P410-K412 PolarHBondContact O-N 2.97Å; K412-K414 VanDerWaalsContact C-N 3.32Å; K412-K414 PolarHBondContact O-N 3.09Å
413R66.6Low68.5Low231 Ų231136.9 Ų136.987%0.87271%0.712SS**  trans-63.597.7165.3-67.4-173.1-176-177.32.4106G411 R415G411-R413 PolarHBondContact O-N 3.28Å; R413-R415 PolarHBondContact O-N 3.02Å
414K60.9Low66.4Low165 Ų165142.7 Ų142.772%0.71772%0.717SS**  trans-49.3118.2152.1-71.1-174.1177.7-175.80105.1K412 F416K412-K414 VanDerWaalsContact C-N 3.32Å; K412-K414 PolarHBondContact O-N 3.09Å; K414-F416 HydrophobicContact CB-CD2 4.18Å; K414-F416 HydrophobicContact CB-CE2 3.92Å; K414-F416 HydrophobicContact CB-CZ 4.33Å; K414-F416 HydrophobicContact CD-CE2 4.48Å; K414-F416 HydrophobicContact CD-CZ 4.17Å; K414-F416 PolarHBondContact O-N 2.91Å
415R54.5Low63.7Low242 Ų242144.9 Ų144.991%0.91374%0.744SS**  trans-67.583.9165.5-78.1-174.8178.5173.9-0.8106.2R413 P417R413-R415 PolarHBondContact O-N 3.02Å; R415-P417 VanDerWaalsContact O-CD 3.26Å; R415-P417 WeakPolarHBondContact O-CD 3.3Å
416F55.2Low61.1Low166 Ų166142.8 Ų142.873%0.72874%0.743SS**  trans-59.1114.8150.2-63.1-77.5000104.7K414 L418K414-F416 HydrophobicContact CB-CD2 4.18Å; K414-F416 HydrophobicContact CB-CE2 3.92Å; K414-F416 HydrophobicContact CB-CZ 4.33Å; K414-F416 HydrophobicContact CD-CE2 4.48Å; K414-F416 HydrophobicContact CD-CZ 4.17Å; K414-F416 PolarHBondContact O-N 2.91Å; F416-L418 PolarHBondContact O-N 3.16Å
417P52.5Low58.5Low114 Ų114144.2 Ų144.274%0.7476%0.763SS**  trans-58.8132.5168.327.1-32.4000106.7R415 S419R415-P417 VanDerWaalsContact O-CD 3.26Å; R415-P417 WeakPolarHBondContact O-CD 3.3Å; P417-S419 PolarHBondContact O-N 3.13Å
418L53.3Low56.2Low161 Ų161143.1 Ų143.184%0.84377%0.767SS**  trans-63.4112.3169.8-68.5174.9000106.3F416 V420F416-L418 PolarHBondContact O-N 3.16Å; L418-V420 PolarHBondContact O-N 2.98Å
419S43Very low54.2Low85 Ų85147.6 Ų147.659%0.59478%0.781SS**  trans-7770.2-168.1-170.80000111.3P417 S421P417-S419 PolarHBondContact O-N 3.13Å; S419-S421 PolarHBondContact O-N 3.12Å; S419-S421 PolarHBondContact OG-OG 2.85Å
420V50.3Low52.1Low148 Ų148144.8 Ų144.890%0.89778%0.781SS**  trans-72.753.1170.1-70.70000111L418L418-V420 PolarHBondContact O-N 2.98Å
421S47.9Very low50.1Low78 Ų78146.5 Ų146.555%0.54578%0.781SS.*  trans-155.755-170.462.20000111.9S419S419-S421 PolarHBondContact O-N 3.12Å; S419-S421 PolarHBondContact OG-OG 2.85Å
422N43Very low48.2Very low148 Ų148150.4 Ų150.479%0.79179%0.787SS**SBendtrans-12513.3170.3-130.5101.9000113.6
423V49.2Very low46.7Very low137 Ų137145.8 Ų145.883%0.8378%0.781SS**SBendtrans-135.353.2174.5-163.20000110.1
424F44.8Very low45.6Very low197 Ų197140.9 Ų140.986%0.86478%0.777SS**  trans-178.1116.1148.3-114.4-80.9000107.3
425S35.5Very low44.4Very low124 Ų124139.3 Ų139.387%0.86778%0.776SS**  trans-142.9102.8173.5-77.70000108.6
426G35.8Very low43.8Very low57 Ų57133.6 Ų133.659%0.58877%0.77SS**  trans177.6111.2179.600000110.6
427T39.4Very low43.3Very low135 Ų135131.3 Ų131.383%0.82877%0.771SS**  trans52.8127.4153.654.50000118.9
428T41.3Very low42.7Very low137 Ų137131.7 Ų131.784%0.8477%0.771SS**  cis-159.5176.53.7-6.90000110.7
429Q47Very low42.3Very low177 Ų177131.1 Ų131.183%0.82777%0.773SS**  trans-72.1131.7-178.5-54.9174.69.400113
430N41.1Very low41.8Very low138 Ų138136.7 Ų136.774%0.73878%0.783SS**  179.1134.6120.9-105.4-72.7000112.4
431I39.8Very low41.5Very low166 Ų166135.1 Ų135.185%0.85178%0.776SS**  -178.1142.1126.8-94.1158.8000107.8
432I38.6Very low40.5Very low140 Ų140141.1 Ų141.172%0.71879%0.788SS**  trans-83.8141.9-167.2-66.4166.3000111.6T434I432-T434 PolarHBondContact O-N 3.4Å
433S40.7Very low40.2Very low115 Ų115144.8 Ų144.880%0.80479%0.791SS**  trans-53.5121.7173.4176.70000112.7
434T42.9Very low39.3Very low128 Ų128142.2 Ų142.279%0.78578%0.778SS**  trans-128.5162.6163.8570000110.8I432I432-T434 PolarHBondContact O-N 3.4Å
435N36.8Very low39.1Very low132 Ų132138.2 Ų138.271%0.70677%0.773SS**  trans-84.2130.9-150.1-164.9-54.1000114.6T437N435-T437 PolarHBondContact O-N 3.29Å; N435-T437 VanDerWaalsContact O-N 3.14Å; N435-T437 PolarHBondContact OD1-OG1 2.9Å; N435-T437 VanDerWaalsContact OD1-OG1 3.1Å
436P42.1Very low39Very low122 Ų122138.3 Ų138.379%0.79277%0.768SS**  trans-83.584.8177.534.3-34.8000112.3
437T43.5Very low38.9Very low119 Ų119145.4 Ų145.473%0.7378%0.778SS**  trans-123.370.8170.4-55.30000111.5N435N435-T437 PolarHBondContact O-N 3.29Å; N435-T437 VanDerWaalsContact O-N 3.14Å; N435-T437 PolarHBondContact OD1-OG1 2.9Å; N435-T437 VanDerWaalsContact OD1-OG1 3.1Å
438T40.7Very low38.6Very low122 Ų122143.5 Ų143.575%0.74877%0.77SS**  trans-138.1119.6161.939.70000109.7
439V45Very low38.2Very low148 Ų148141.6 Ų141.690%0.89776%0.758SS**  trans-80.9120.8171.2176.40000108.1
440Y31.6Very low37.6Very low203 Ų203139 Ų13980%0.79676%0.755SS**  trans-118.1133.4170.1-107.8-89.3000110.2
441P44.5Very low37.3Very low114 Ų114139.1 Ų139.174%0.7475%0.754SS**  trans-71137.8-179.128.4-34.5000111.7R443P441-R443 PolarHBondContact O-N 3.03Å
442Y28.2Very low37.1Very low205 Ų205136.4 Ų136.480%0.80475%0.747SS**  trans-70.7107.1177.4-178.4-93.6000110.6
443R35.8Very low36.7Very low225 Ų225134 Ų13485%0.84974%0.743SS**  trans-87118.7167.6-134.5-169.5-154-1007.7108.7P441P441-R443 PolarHBondContact O-N 3.03Å
444S30.5Very low36.4Very low82 Ų82136.1 Ų136.157%0.57374%0.744SS**  trans-60.1140.2173.5-54.40000111T446S444-T446 PolarHBondContact O-N 3.13Å
445P39.7Very low36Very low114 Ų114138 Ų13874%0.7474%0.744SS**  trans-71112.4172.1-13.828.9000110.2Y447P445-Y447 PolarHBondContact O-N 2.99Å
446T33.3Very low35.8Very low125 Ų125138.7 Ų138.777%0.76775%0.748SS**  trans-70.4113169.6-55.20000108.9S444 S448S444-T446 PolarHBondContact O-N 3.13Å; T446-S448 PolarHBondContact O-N 3.39Å; T446-S448 VanDerWaalsContact O-N 3.09Å
447Y33.3Very low35.6Very low206 Ų206138.6 Ų138.681%0.80875%0.747SS**  trans-77.492177.3-179.5-113.8000110.2P445 V449P445-Y447 PolarHBondContact O-N 2.99Å; Y447-V449 HydrophobicContact CD1-CG2 3.74Å; Y447-V449 HydrophobicContact CE1-CG2 3.36Å; Y447-V449 PolarHBondContact O-N 2.81Å
448S33.5Very low35.1Very low95 Ų95138.6 Ų138.666%0.66474%0.742SS**  trans-77.9101174.956.40000110.7T446 V450T446-S448 PolarHBondContact O-N 3.39Å; T446-S448 VanDerWaalsContact O-N 3.09Å; S448-V450 PolarHBondContact O-N 2.63Å
449V34.5Very low34.7Very low97 Ų97138.3 Ų138.359%0.58874%0.739SS**  trans-70107.3169.3179.90000108.7Y447 I451Y447-V449 HydrophobicContact CD1-CG2 3.74Å; Y447-V449 HydrophobicContact CE1-CG2 3.36Å; Y447-V449 PolarHBondContact O-N 2.81Å; V449-I451 HydrophobicContact CG1-CG1 4.01Å; V449-I451 PolarHBondContact O-N 3.11Å
450V34Very low34.1Very low123 Ų123135.8 Ų135.875%0.74572%0.718SS**  trans-85.9102.8166.7-1800000107.5S448 P452S448-V450 PolarHBondContact O-N 2.63Å; V450-P452 WeakPolarHBondContact O-CD 3.31Å
451I35.2Very low34.8Very low140 Ų140130.7 Ų130.772%0.71871%0.71SS**  trans-72.1120.6170.9-57.4177000107.8V449 S453V449-I451 HydrophobicContact CG1-CG1 4.01Å; V449-I451 PolarHBondContact O-N 3.11Å; I451-S453 PolarHBondContact O-N 3.05Å; I451-S453 VanDerWaalsContact O-N 3.12Å
452P34.6Very low34.1Very low109 Ų109132.5 Ų132.571%0.70872%0.718SS**  trans-72.6105.6175.5-14.831000109.9V450 L454V450-P452 WeakPolarHBondContact O-CD 3.31Å; P452-L454 PolarHBondContact O-N 2.93Å
453S29.6Very low34.2Very low91 Ų91125.9 Ų125.964%0.63671%0.713SS**  trans-67.1114.7171.8-178.40000109.6I451 Q455I451-S453 PolarHBondContact O-N 3.05Å; I451-S453 VanDerWaalsContact O-N 3.12Å; S453-Q455 PolarHBondContact O-N 2.8Å; S453-Q455 VanDerWaalsContact O-N 3.12Å
454L34.3Very low33.8Very low159 Ų159124 Ų12483%0.83271%0.714SS**  trans-75.895.5173.6-70.6176.8000109.8P452P452-L454 PolarHBondContact O-N 2.93Å
455Q35.8Very low33.8Very low166 Ų166126.8 Ų126.878%0.77673%0.727SS**  trans-92.7107.7173.6-65.1-179.2400109.6S453 P457S453-Q455 PolarHBondContact O-N 2.8Å; S453-Q455 VanDerWaalsContact O-N 3.12Å; Q455-P457 VanDerWaalsContact O-CD 3.31Å; Q455-P457 WeakPolarHBondContact O-CD 3.39Å
456N32.8Very low33.2Very low148 Ų148126.8 Ų126.879%0.79173%0.73SS**  trans-82.6114.3173.6-75.1-34000110.2I458N456-I458 PolarHBondContact O-N 2.8Å
457P37.9Very low34.1Very low120 Ų120126.7 Ų126.778%0.77973%0.731SS**  trans-82.2103.9175.432.1-32.2000110.7Q455Q455-P457 VanDerWaalsContact O-CD 3.31Å; Q455-P457 WeakPolarHBondContact O-CD 3.39Å
458I32.2Very low33.8Very low119 Ų119121.2 Ų121.261%0.6173%0.728SS**  trans-94.7112161.3-63.2179.7000107.8N456N456-I458 PolarHBondContact O-N 2.8Å
459T31.7Very low33.8Very low115 Ų115124.8 Ų124.871%0.70674%0.738SS**  trans-83.8130.7175.432.20000111.7
460H32.7Very low33.5Very low96 Ų96128.1 Ų128.144%0.44475%0.747SS.*  trans-130138.5159.2-96.2-110.1000109.2
461P46.7Very low33.4Very low96 Ų96129.3 Ų129.362%0.62375%0.749SS**  trans-97.1-168.2-179.539.7-36.2000112.6
462V30.4Very low33.6Very low151 Ų151128.4 Ų128.492%0.91575%0.752SS**  trans81133.7-173.1-170.70000112.3
463G28.6Very low33.6Very low67 Ų67128.5 Ų128.569%0.69175%0.751SS**  cis-152.5-174.94.300000113.8
464E29Very low34.2Very low186 Ų186129.8 Ų129.887%0.86976%0.757SS**  trans-80.6147.5-168.1-57.1166.5119.500113.9
465T29.2Very low34Very low140 Ų140126.4 Ų126.486%0.85975%0.752SS**  -179.1168.412624.60000112.6
466S28.9Very low33.8Very low113 Ų113124.4 Ų124.479%0.7975%0.751SS**  trans-167.2167.7-175.8-81.70000108.6
467P51.8Low33.8Very low124 Ų124126.3 Ų126.381%0.80576%0.755SS**  cis-132.7-144.6-18.737.8-17000111.5
468A27.4Very low33.6Very low90 Ų90131.9 Ų131.974%0.74476%0.76SS**  trans78.9152.5171.500000115.6
469I32.8Very low34.1Very low170 Ų170132.1 Ų132.187%0.87277%0.77SS**  cis-123161.520.5-69.4168.5000112.5
470Q27.5Very low34Very low167 Ų167131.6 Ų131.678%0.7877%0.771SS**  trans-105.8142.3-177.2-53.6176.52.900114.1
471L31.3Very low35.1Very low148 Ų148132.4 Ų132.478%0.77579%0.785SS**  trans57.3176.3143.5-105.772.2000118.8
472P40.8Very low34.3Very low121 Ų121134 Ų13479%0.78679%0.793SS**  cis-124.7165.619.341.4-25.6000118.6
473T34.2Very low34.6Very low112 Ų112132.8 Ų132.869%0.68779%0.785SS**  trans-86.1161.4167.7480000113
474P41.7Very low34.7Very low118 Ų118136.2 Ų136.277%0.76679%0.787SS**  -127.9155.9103.98.713000111.8
475A30.4Very low34.9Very low88 Ų88135.7 Ų135.773%0.72778%0.782SS**  cis76.9131.63700000113.3
476V32.5Very low35.2Very low124 Ų124137.5 Ų137.575%0.75278%0.781SS**  cis-165.8170.7-4.999.80000111.3
477Q31.7Very low36Very low187 Ų187137.3 Ų137.387%0.87478%0.777SS**  trans82.7155.3159.5-93.4161.656.500123.6
478R33.4Very low34.9Very low237 Ų237136.3 Ų136.389%0.89477%0.773SS**  trans-106176.6172.1-84.6-179.4177.6148.3-3.3108.1
479P42.9Very low35.1Very low125 Ų125138 Ų13881%0.81277%0.774SS**  cis-142.6-159.122.942.6-20000116.5
480S30.4Very low35Very low103 Ų103135.2 Ų135.272%0.7277%0.77SS**  trans-84.1-170.7175.960.60000112.7
481P55Low35.1Very low113 Ų113132.8 Ų132.873%0.73477%0.771SS**  cis-137-158.2-1.236.7-13.5000114.8
482V30.2Very low35Very low131 Ų131130 Ų13079%0.79477%0.769SS**  trans127.1137.6149.7178.10000116
483T36.6Very low34.5Very low124 Ų124129.1 Ų129.176%0.76177%0.772SS**  trans-89.4172.8179.742.40000113.2
484L31.1Very low34.4Very low139 Ų139132.5 Ų132.573%0.72878%0.78SS**  trans-169.4162.6133.3-108.5169.6000115.3
485F32.7Very low33.8Very low175 Ų175133 Ų13377%0.76878%0.781SS**  trans65100.1166.1-61.2-61.9000122.3
486Q36.7Very low33.7Very low179 Ų179132.9 Ų132.984%0.83678%0.78SS**  -83.2175.1119.3-63.9-178.6-35.400109.1
487P45.5Very low33.4Very low109 Ų109133 Ų13371%0.70878%0.781SS**  -153.6177.296.541.1-24.1000117
488S29Very low33.2Very low103 Ų103132.9 Ų132.972%0.7278%0.78SS**  trans84135.7149.6-60.40000119.6
489V30.5Very low33Very low124 Ų124128.1 Ų128.175%0.75277%0.773SS**  cis-156.8151.8-11.5-100.10000111.2
490S30.6Very low33.2Very low113 Ų113127.5 Ų127.579%0.7977%0.768SS**  trans36.3153.6137.1-56.10000123.7
491S30.4Very low33Very low116 Ų116127.8 Ų127.881%0.81177%0.771SS**  cis-177.2175.5-20.6-168.90000109.7
492A29.2Very low32Very low88 Ų88130.4 Ų130.473%0.72778%0.778SS**  trans87.7118.2149.500000122.6
493A28.9Very low32.4Very low104 Ų104129.7 Ų129.786%0.8678%0.776SS**  86.3152.3129.700000121.7
494Q33.3Very low32.1Very low183 Ų183131.4 Ų131.486%0.85578%0.779SS**  trans-116.6-172.9-163.1-61.4168.2-27.300111.8
495V29.3Very low31.9Very low127 Ų127135 Ų13577%0.7779%0.785SS**  trans9597.6151.5-167.60000118.4
496A27.3Very low32.4Very low87 Ų87132.2 Ų132.272%0.71978%0.784SS**  trans67.9169.2133.200000118.8
497V27.5Very low32Very low127 Ų127127.5 Ų127.577%0.7778%0.775SS**  cis-166.7161.6-23.2124.10000109.7
498Q25.8Very low31.4Very low184 Ų184130.1 Ų130.186%0.8678%0.783SS**  trans100.2131.7168.8-48.3-151.440.700120.7
499D30.8Very low32.1Very low137 Ų137130.8 Ų130.873%0.73379%0.785SS**  trans-72166.6153-165.430.2000109.1
500P46Very low32.8Very low111 Ų111130.1 Ų130.172%0.72178%0.783SS**  -155.316073.340.1-19.1000117.8
501S27.3Very low32.8Very low110 Ų110132.6 Ų132.677%0.76978%0.782SS**  -177125.5115.734.60000114.6
502L33.1Very low32.8Very low168 Ų168138 Ų13888%0.8879%0.785SS**  trans-90.7155.3167-62.8170000109.5
503P38.3Very low32.8Very low116 Ų116142.4 Ų142.475%0.75379%0.788SS**  -148175.983.140.9-22.6000113.7
504L30.3Very low32.9Very low159 Ų159141.8 Ų141.883%0.83278%0.783SS**  cis-139.5157.35.4-103115.1000110.4
505Y28.1Very low32.9Very low215 Ų215136.1 Ų136.184%0.84377%0.773SS**  trans-101168.3149.8-105.8-108.2000107.9
506P42.7Very low33.7Very low117 Ų117135.9 Ų135.976%0.7677%0.774SS**  cis-123.5-154.519.633.4-9000111.6
507A28.6Very low33.9Very low79 Ų79136.4 Ų136.465%0.65377%0.772SS**  cis-158.5179.615.300000114.9
508L32.3Very low34.2Very low164 Ų164138.5 Ų138.586%0.85977%0.774SS**  trans-141.4-175171.5-58.2172000106.4
509P43.5Very low34.5Very low118 Ų118135 Ų13577%0.76677%0.765SS**  cis-127.6-119-2.125.13000113.1
510P45.6Very low34.3Very low109 Ų109135 Ų13571%0.70877%0.765SS**  -130.2169.8-115.341.8-24.4000116.2
511Q29.8Very low33.5Very low165 Ų165133.7 Ų133.777%0.77176%0.755SS**  trans-147.9148.2148.9-102.2-55.8-5.500113.2
512R31.3Very low33.8Very low230 Ų230135.9 Ų135.987%0.86875%0.753SS**  trans-128.5119.5159.5-63.3-173-155.5156.40.4108.1
513F29.6Very low33.5Very low181 Ų181135.3 Ų135.379%0.79475%0.746SS**  trans-141.2120.6147.6-94-92.8000105.2
514A29.5Very low33Very low91 Ų91135.9 Ų135.975%0.75274%0.742SS**  61.5118.263.500000111
515G34.5Very low32.9Very low63 Ų63136.3 Ų136.365%0.64974%0.739SS**  trans-94.9166.5-173.200000114.3
516P45.8Very low33.2Very low122 Ų122130.8 Ų130.879%0.79273%0.732SS**  trans-75.4139.4160.533.4-32.1000109.5
517S31.1Very low32.4Very low98 Ų98134.9 Ų134.969%0.68574%0.741SS**  cis74.1159.514.5104.20000116.2
518Q34Very low32.7Very low172 Ų172134.7 Ų134.780%0.80475%0.747SS**  trans72.9133.6-168.8-40.8-93.927.800113.5
519T32.3Very low32.6Very low110 Ų110132.4 Ų132.468%0.67574%0.74SS**  cis-152.6127.6-1418.40000104.5
520D26Very low32.2Very low138 Ų138135 Ų13574%0.73874%0.741SS**  cis83.8151.249.8-169.545.6000114.3
521T29.5Very low31.4Very low83 Ų83136.1 Ų136.151%0.50975%0.746SS.*  trans75.9128157.613.80000122.6
522H33.7Very low31.4Very low156 Ų156134.5 Ų134.572%0.72275%0.747SS**  trans70.7121.8162.8-51.8-59.4000118.6
523Q26.6Very low31.4Very low156 Ų156131.8 Ų131.873%0.72974%0.742SS**  cis97.4139.933-167.6-16089.700112.6
524L28.3Very low31.4Very low128 Ų128130.9 Ų130.967%0.6774%0.74SS**  trans94.1111.4167.5-53.3-177.1000120.4
525H27.5Very low32.1Very low168 Ų168131.8 Ų131.878%0.77874%0.738SS**  trans75.6142.6131.7-74-62.3000125.7
526S34.8Very low31.8Very low98 Ų98135.1 Ų135.169%0.68575%0.746SS**  trans59.2108.3157-560000118
527E26.8Very low31.6Very low203 Ų203134.8 Ų134.895%0.94974%0.744SS**  65.2119.365-64.6-149.4114.100114.2
528G33.9Very low31.4Very low75 Ų75137.1 Ų137.177%0.77375%0.754SS**  trans173.187.5-175.700000110.8
529T30.9Very low31.5Very low116 Ų116134.3 Ų134.371%0.71275%0.753SS**  trans-25.9152.817350.50000117.6
530H35.1Very low31.4Very low174 Ų174136.8 Ų136.881%0.80676%0.761SS**  cis-154.4165.149.7-82.9-86.4000115.6
531T28.9Very low31.5Very low131 Ų131137.6 Ų137.680%0.80476%0.76SS**  trans-102.9160.7166.751.90000111.9
532V30.4Very low31.4Very low131 Ų131137.7 Ų137.779%0.79476%0.764SS**  trans159.1112.4147.2152.90000106.7
533K30.1Very low31Very low173 Ų173136.5 Ų136.575%0.75277%0.769SS**  80.9116.460.9-85.5-168.6172.5-176.20115.3
534Q30.2Very low31.1Very low163 Ų163135.8 Ų135.876%0.76277%0.77SS**  trans70.1160.3144.2-76.9-178.2-82.100119.7
535P44.3Very low31.3Very low109 Ų109139.9 Ų139.971%0.70878%0.776SS**  cis-136.4162.8-24.935.3-17.5000115.9
536T28.4Very low31.6Very low133 Ų133138.4 Ų138.482%0.81677%0.773SS**  trans-82.4177.9153.4240000111.3
537P41.5Very low31.3Very low116 Ų116138.3 Ų138.375%0.75377%0.772SS**  cis-122.9-173-27.836.7-20.7000111.3
538V26.7Very low31.3Very low147 Ų147135.9 Ų135.989%0.89177%0.766SS**  trans-110.2123.2172.6-170.30000111.3
539S36.5Very low31.2Very low112 Ų112137.5 Ų137.578%0.78377%0.765SS**  trans-164.9109.1158.3-174.90000110.6
540L29.4Very low31.2Very low162 Ų162136.5 Ų136.585%0.84877%0.769SS**  trans-172.2107.7156.1-107.2165.1000110.3
541E27.8Very low31Very low155 Ų155133.5 Ų133.572%0.72477%0.767SS**  48.3135.6125.4-162.447.8-10900122.4
542S26.7Very low31.1Very low85 Ų85133.4 Ų133.459%0.59477%0.767SS**  trans62.1131.9156.9-80.70000121.5
543T27.2Very low31.3Very low132 Ų132130.7 Ų130.781%0.8176%0.758SS**  -177.7142.196.6-70.60000113.3
544N28.1Very low31.5Very low141 Ų141131.2 Ų131.275%0.75476%0.763SS**  trans-61161.3175.4-60.7-89.5000115.8
545R32.7Very low31.6Very low214 Ų214128 Ų12881%0.80876%0.764SS**  174.6128.1105.6-95.5-173.5-173.3-113.6-1116.5
546I33.8Very low31.3Very low136 Ų136133.7 Ų133.770%0.69777%0.771SS**  trans29.3143.4137.34179.3000119.6
547S27.9Very low31.5Very low96 Ų96137.4 Ų137.467%0.67178%0.776SS**  cis-155.416929.2-44.50000112.1
548N27.2Very low31.1Very low153 Ų153135.8 Ų135.882%0.81877%0.773SS**  -163.1174.657.7-112.8-11.4000115.4
549S31.1Very low31.1Very low108 Ų108135 Ų13576%0.75577%0.769SS**  trans-48.5165.2178560000117.5
550A30.5Very low30.8Very low96 Ų96134.6 Ų134.679%0.79377%0.765SS**  cis-167.3-178.719.600000109.9
551S31.2Very low30.8Very low110 Ų110132.9 Ų132.977%0.76976%0.762SS**  cis-176.4-175.1-25-169.80000109.4
552T31.1Very low31Very low130 Ų130133.5 Ų133.580%0.79877%0.768SS**  trans75.7152.6166-44.60000117.6
553A34.4Very low31.3Very low73 Ų73137.7 Ų137.760%0.60378%0.779SS**  -170.1170.7-6100000110.5
554H35.1Very low32.2Very low185 Ų185136.5 Ų136.586%0.85677%0.773SS**  trans85144.7177.3-5880.7000116.5
555A32.1Very low33Very low95 Ų95135.4 Ų135.479%0.78577%0.774SS**  cis-154.5174.8-14.500000112.1
556R37.2Very low33.1Very low228 Ų228134.6 Ų134.686%0.8678%0.776SS**  trans-95.9149.9-158.3-45.4161.4-169.61402115
557F33.7Very low33Very low211 Ų211136.7 Ų136.793%0.92578%0.783SS**  trans-176.1139.8131.3-78.4-57.9000108
558A32Very low33.2Very low83 Ų83142.1 Ų142.169%0.68679%0.79SS**  cis99107.9-1.200000118.7
559T28.3Very low33.3Very low131 Ų131139.8 Ų139.880%0.80479%0.786SS**  trans158.6137.8131.3-66.60000114.2
560S28.9Very low33.3Very low102 Ų102138.8 Ų138.871%0.71378%0.779SS**  trans56.4137.6164.5-67.20000120.7
561T29.6Very low33.4Very low127 Ų127141.3 Ų141.378%0.77978%0.784SS**  cis90117.930-59.80000114.5
562I32Very low33.6Very low167 Ų167140.9 Ų140.986%0.85678%0.781SS**  trans-170143.5134.7-98153.5000109.7
563Q33.9Very low34.1Very low174 Ų174140.2 Ų140.281%0.81378%0.779SS**  trans-134.3149.4173.7-176.9-161.954.900108
564P46.3Very low34.1Very low107 Ų107142.1 Ų142.170%0.69579%0.787SS**  trans-134.8176.5147.243.4-30.7000111.3
565P43.5Very low34.9Very low118 Ų118138.4 Ų138.477%0.76678%0.779SS**  -126.8-175.8-88.529.1-7.5000113.8
566K35Very low34.9Very low197 Ų197144.6 Ų144.686%0.85778%0.782SS**  trans-132.8143.6168.4-80.2-173.9175-176.30110.4
567E31.8Very low34.7Very low180 Ų180139.2 Ų139.284%0.84178%0.78SS**  trans-150.4116.1150-105.5153-163.100107.4
568Y32.5Very low34.8Very low210 Ų210133.6 Ų133.682%0.82477%0.772SS**  71133.792.7-80.5-75.5000112.8
569S28.7Very low35.3Very low104 Ų104135.6 Ų135.673%0.72778%0.778SS**  cis-134.3143.242.9-134.90000113.1
570S32.5Very low35.9Very low87 Ų87136 Ų13661%0.60877%0.774SS**  63.1137.198.1-46.50000115
571V32.3Very low36.3Very low148 Ų148137.3 Ų137.390%0.89778%0.78SS**  cis-141.2168.339.7-156.10000113.2
572S34.3Very low36.5Very low101 Ų101140 Ų14071%0.70678%0.784SS**  trans-109.5-170177.3-136.60000110.4
573P42.4Very low36.6Very low117 Ų117136.9 Ų136.976%0.7678%0.783SS**  cis-137.6-170.94.440.1-18.1000117.2
574C33.1Very low36.7Very low113 Ų113134 Ų13476%0.76478%0.781SS**  trans-84.7-160.8-178.8-340000112.4
575P52.3Low36.6Very low107 Ų107135 Ų13570%0.69579%0.788SS**  cis-151.7169.62546-24.4000121.3
576R33.6Very low36.2Very low224 Ų224137.2 Ų137.285%0.84579%0.792SS**  trans53.3120.2136-174.7178.1-77.5139.7-6.2119.7
577S32.4Very low36.5Very low116 Ų116133.2 Ų133.281%0.81179%0.786SS**  -168.9164.296.2-71.40000114
578A35.7Very low36.7Very low93 Ų93132.6 Ų132.677%0.76978%0.783SS**  trans-127.9173.4173.600000108.3
579P41.7Very low37.5Very low125 Ų125128.8 Ų128.881%0.81278%0.784SS**  cis-135.8-158.120.143.6-23.3000115.8
580I41.4Very low37.9Very low139 Ų139132 Ų13271%0.71379%0.787SS**  trans-88.8166.6-168.5-12.1176.9000113.2Q582I580-Q582 HydrophobicContact CG2-CG 4.17Å
581P38.3Very low38.1Very low130 Ų130133.7 Ų133.784%0.84479%0.793SS**  -13415289.838.3-28.4000114.9
582Q32.7Very low38.2Very low184 Ų184137.6 Ų137.686%0.8679%0.794SS**  trans-93.5153.5170.1-78.4-164.4-35.900111.8I580I580-Q582 HydrophobicContact CG2-CG 4.17Å
583A33.4Very low38.3Very low101 Ų101140.2 Ų140.284%0.83580%0.795SS**  trans-109.2152168.900000111.2
584S36.4Very low38.1Very low112 Ų112139.9 Ų139.978%0.78379%0.792SS**  trans-88.4159.5-163.7-50.30000114.5
585P43.6Very low38.6Very low128 Ų128140.2 Ų140.283%0.83179%0.793SS**  trans-81.2158.7-175.233.6-36.8000114
586I35.3Very low37.9Very low165 Ų165143.7 Ų143.785%0.84680%0.8SS**  trans-123143173.8-69-179.7000108.9
587P41.7Very low38Very low113 Ų113141.8 Ų141.873%0.73481%0.805SS**  trans-108179.7-150.441.4-35.9000116
588H36.8Very low37.9Very low168 Ų168139.2 Ų139.278%0.77880%0.797SS**PPolyproline II helixtrans-60.6144.1176.9-45.8-80000113.8
589P48.2Very low38Very low129 Ų129144 Ų14484%0.83880%0.803SS**PPolyproline II helixtrans-79.5132.916632.4-32.2000111.2
590H37.9Very low38.1Very low172 Ų172143.9 Ų143.980%0.79680%0.802SS**PPolyproline II helixtrans-93.1148.1171.3-91.8-92.3000111.8
591V36.2Very low37.8Very low123 Ų123141.3 Ų141.375%0.74580%0.802SS**  trans43120.3144.8-176.60000118.1
592Y34Very low38.2Very low230 Ų230141.4 Ų141.490%0.90280%0.8SS**  trans-125.1147.7150.5-141.9-93.4000111.4
593Q36.3Very low38.6Very low156 Ų156139.5 Ų139.573%0.72980%0.795SS**  trans-107.9137.4-169.5178.1179-12.900110.1P595Q593-P595 WeakPolarHBondContact O-CD 3.4Å
594P38.2Very low39Very low109 Ų109144.2 Ų144.271%0.70880%0.797SS**PPolyproline II helixtrans-76.2127.7176.930-33000111.1
595P45.1Very low39.1Very low120 Ų120142.3 Ų142.378%0.77980%0.795SS**PPolyproline II helixtrans-84.9160.7174.534.3-34.6000112.5Q593Q593-P595 WeakPolarHBondContact O-CD 3.4Å
596H36Very low39Very low181 Ų181142.7 Ų142.784%0.83880%0.796SS**PPolyproline II helixtrans-94.5129.1174.3-62.5-102.2000111.6
597L35.9Very low39.4Very low183 Ų183140.5 Ų140.596%0.95879%0.792SS**  trans-178.2153.5152.2-120.665.9000105.2
598G31.5Very low39.7Very low62 Ų62140 Ų14064%0.63979%0.789SS**  cis154.4108.65.500000106.8P600G598-P600 WeakPolarHBondContact O-CD 3.26Å
599H36.4Very low39.8Very low195 Ų195144.1 Ų144.190%0.90380%0.798SS**  trans-73.8139.7-171.2-66.9-72.8000113.4
600P44.6Very low39.1Very low122 Ų122145.7 Ų145.779%0.79279%0.791SS**  trans-91.8159.8131.133.7-30.6000110.4G598G598-P600 WeakPolarHBondContact O-CD 3.26Å
601A35.9Very low39Very low84 Ų84142.1 Ų142.169%0.69479%0.786SS**  trans-111.4167.7-157.500000115.5
602T46Very low38.9Very low132 Ų132144.9 Ų144.981%0.8179%0.788SS**  trans54.8117.415449.90000119.8
603L40.6Very low38.9Very low144 Ų144141.9 Ų141.975%0.75478%0.782SS**SBend-160.4105.7121.8-103.3162.3000109.1
604F42.5Very low38.8Very low200 Ų200143.4 Ų143.488%0.87779%0.789SS**SBendtrans60.8133.6-178.2-42.3-76.2000115.8
605G37.5Very low39.2Very low73 Ų73143.1 Ų143.175%0.75379%0.787SS**  cis156.1652.100000110.8
606T41.5Very low38.9Very low136 Ų136146.8 Ų146.883%0.83479%0.787SS**PPolyproline II helixtrans-71.6134-172.547.30000113.3
607P44.8Very low38.9Very low118 Ų118148.6 Ų148.677%0.76679%0.792SS**PPolyproline II helixtrans-70.1145.2173.629.6-34.4000111.6
608P48.7Very low39Very low104 Ų104146.5 Ų146.568%0.67578%0.781SS**PPolyproline II helixtrans-79.1145.7-170.931-35.8000113.6F610P608-F610 HydrophobicContact CB-CD2 4.5Å; P608-F610 HydrophobicContact CG-CD2 4.26Å; P608-F610 HydrophobicContact CG-CE2 4.16Å
609R37.8Very low39.7Very low254 Ų254149.8 Ų149.896%0.95879%0.791SS**  trans-79.8114.4158.7-82.4-175.6170.7169.5-1.8109.2
610F34.1Very low39.4Very low161 Ų161143.8 Ų143.871%0.70678%0.783SS**  trans-86.6116.7165.6-96.8-86000111.1P608 F612P608-F610 HydrophobicContact CB-CD2 4.5Å; P608-F610 HydrophobicContact CG-CD2 4.26Å; P608-F610 HydrophobicContact CG-CE2 4.16Å; F610-F612 HydrophobicContact CB-CD2 4.36Å; F610-F612 HydrophobicContact CB-CE2 4.15Å; F610-F612 HydrophobicContact CD1-CE2 4.24Å; F610-F612 HydrophobicContact CD1-CZ 4.46Å; F610-F612 HydrophobicContact CG-CE2 4.43Å
611S35.4Very low39.3Very low97 Ų97144 Ų14468%0.67878%0.784SS**  trans-86.4110.916250.70000109.3H613S611-H613 PolarHBondContact O-N 2.9Å
612F34.8Very low39.7Very low182 Ų182148.1 Ų148.180%0.79879%0.789SS**  trans-88.4104.3168.4-87-79.6000110.5F610F610-F612 HydrophobicContact CB-CD2 4.36Å; F610-F612 HydrophobicContact CB-CE2 4.15Å; F610-F612 HydrophobicContact CD1-CE2 4.24Å; F610-F612 HydrophobicContact CD1-CZ 4.46Å; F610-F612 HydrophobicContact CG-CE2 4.43Å
613H34Very low39.1Very low167 Ų167153 Ų15377%0.77379%0.794SS**PPolyproline II helixtrans-66.6132.8152.8-76.5-102.6000108.3S611S611-H613 PolarHBondContact O-N 2.9Å
614H34.3Very low39.2Very low187 Ų187154.2 Ų154.287%0.86679%0.793SS**PPolyproline II helixtrans-74.1135159.4-93.2-67000109.1
615P46.8Very low39.1Very low104 Ų104150.7 Ų150.768%0.67579%0.79SS**PPolyproline II helixtrans-75.5139.6179.430-33.9000112
616Y38.6Very low38.8Very low197 Ų197152.1 Ų152.177%0.77379%0.789SS**  trans3399.7152.6-61.5-78.4000119.1L618Y616-L618 HydrophobicContact CD1-CG 4.36Å
617F35Very low38.5Very low218 Ų218150.8 Ų150.896%0.95679%0.785SS**  trans-68.7128.9130.6-107.9-99.6000108.4
618L38.2Very low38.2Very low139 Ų139150.6 Ų150.673%0.72878%0.782SS**  trans-126.1139.6159.1-82.2173.7000108.3Y616Y616-L618 HydrophobicContact CD1-CG 4.36Å
619P45.6Very low37.9Very low131 Ų131151.9 Ų151.985%0.85179%0.792SS**  trans-81.9141.6-174.832.4-34.4000112.4
620G30.2Very low37.9Very low70 Ų70144.5 Ų144.572%0.72278%0.777SS**  trans-141.5153173.500000110.8
621P43Very low37.9Very low125 Ų125148.5 Ų148.581%0.81279%0.789SS**  trans-92.1168.3-152.535.3-37.9000116.6
622H43.6Very low37.8Very low172 Ų172148.9 Ų148.980%0.79679%0.792SS**  trans-41.1141.5175.1-50.2-98.8000116.2
623Y34.5Very low37.9Very low233 Ų233151 Ų15191%0.91480%0.795SS**  trans-152.6135.3131.5-120.6-84.7000110.3
624F42.9Very low38.4Very low171 Ų171147.8 Ų147.875%0.7579%0.788SS**  trans-83.8155.6165.4-87.6-92.1000109.3
625P39.7Very low39Very low125 Ų125145 Ų14581%0.81279%0.787SS**  -136.6164.2100.937.4-26.9000114.3
626S31.6Very low38.7Very low103 Ų103148 Ų14872%0.7279%0.79SS**  trans-86.3161.4-177.1-51.60000113.6
627S35.8Very low38.5Very low108 Ų108142.3 Ų142.376%0.75579%0.791SS**  trans56.3124.1147.8-1660000119.5
628T37Very low38.6Very low115 Ų115141.6 Ų141.671%0.70678%0.783SS**  162.5135.2102.1-60.60000108.9P630T628-P630 WeakPolarHBondContact O-CD 3.31Å
629C42Very low38.6Very low130 Ų130138.2 Ų138.288%0.87878%0.782SS**  trans-88132.7175.2-59.70000111.6
630P38.7Very low38Very low100 Ų100138.2 Ų138.265%0.64978%0.775SS**  trans-137.690161.935.4-16.3000112.2T628T628-P630 WeakPolarHBondContact O-CD 3.31Å
631Y33.9Very low38.3Very low244 Ų244144.4 Ų144.496%0.95778%0.782SS**  trans-121.367.2164.1-100.1-75.2000110.3
632S34.5Very low38.4Very low106 Ų106144.2 Ų144.274%0.74178%0.781SS**  trans-147.255.5-173.863.20000113.3
633R35.6Very low37.8Very low226 Ų226142 Ų14285%0.85378%0.784SS**  trans-166.7138.5149.8-114.8176.5-174.5-151.7-0.9113.1
634P45.8Very low38Very low99 Ų99135.9 Ų135.964%0.64378%0.776SS**PPolyproline II helixtrans-88.3159.6167.236.1-34.2000112
635P46.9Very low37.6Very low130 Ų130136 Ų13684%0.84478%0.781SS**PPolyproline II helixtrans-74142.816232.3-32.8000110.7
636F40.3Very low38Very low167 Ų167135.4 Ų135.473%0.73278%0.777SS**PPolyproline II helixtrans-82.9149.7-177.3-87.2-102.3000113.3Y638F636-Y638 HydrophobicContact CD1-CD2 4.26Å; F636-Y638 HydrophobicContact CD1-CE2 4.45Å; F636-Y638 HydrophobicContact CE1-CE2 4.37Å
637G32.7Very low38.6Very low76 Ų76138.6 Ų138.678%0.78478%0.781SS**  trans-163.487.2167.300000110.9
638Y38.7Very low39Very low204 Ų204138.6 Ų138.680%0.878%0.779SS**  trans-76.4132.6178.5-108.8-97.8000111.2F636F636-Y638 HydrophobicContact CD1-CD2 4.26Å; F636-Y638 HydrophobicContact CD1-CE2 4.45Å; F636-Y638 HydrophobicContact CE1-CE2 4.37Å
639G37Very low39.3Very low68 Ų68141.7 Ų141.770%0.70179%0.791SS**  trans-144.4141.917000000109.1
640N34.1Very low39.2Very low131 Ų131138.7 Ų138.770%0.70178%0.782SS**  trans-98.4166.6-162.5-66.5-49.4000114.6
641F35.4Very low39.3Very low199 Ų199144 Ų14487%0.87379%0.79SS**  trans85.7151.6165-63.7-66.2000117.8
642P46.2Very low39.7Very low121 Ų121142.4 Ų142.479%0.78678%0.784SS**  trans-127.2161.7-135.741.7-28000115.4
643S30.1Very low40.2Very low125 Ų125144.8 Ų144.887%0.87478%0.783SS**  trans-157.7159.9150-164.40000110.8
644S39.9Very low40.6Very low105 Ų105139.3 Ų139.373%0.73477%0.771SS**  trans-104.1129.8-17252.90000113.1
645M33.3Very low40.6Very low173 Ų173143.4 Ų143.485%0.85277%0.774SS**  trans-163.4116.9156.5-111.4-57.3-160.800109.9
646P48.8Very low40.6Very low114 Ų114146 Ų14674%0.7477%0.768SS**  trans-122106.2-17836-21.4000113.4
647E44.1Very low41Very low170 Ų170144.3 Ų144.379%0.79476%0.762SS**  trans-162.5168.1177.1-128.7168.2-135.800118.6
648C44.3Very low41.6Very low107 Ų107147.1 Ų147.172%0.72375%0.753SS**SBendtrans74.623148.3-75.60000122.4
649L43.2Very low41.9Very low181 Ų181142.8 Ų142.895%0.94874%0.74SS**SBendtrans-134.911.6164.5-79.8-179.4000116.5
650G40.7Very low42.3Very low67 Ų67145.3 Ų145.369%0.69173%0.733SS**SBendtrans-103.4-11-178.400000116.8
651Y40.9Very low43Very low211 Ų211142.1 Ų142.183%0.82773%0.725SS**THydrogen-bonded Turntrans-101.53.6-156.3-132.1-89.7000116.4
652Y42.1Very low43.6Very low211 Ų211137.2 Ų137.283%0.82771%0.707SS**THydrogen-bonded Turntrans-104.6-27-175.1-128-91.3000114.8
653E45Very low43.4Very low155 Ų155138.7 Ų138.772%0.72470%0.701SS**THydrogen-bonded Turntrans-74.5-45178.8-115.166.3-158.600112.9R655 Y656 Q657E653-R655 VanDerWaalsContact C-N 3.34Å; E653-R655 PolarHBondContact O-N 3.1Å; E653-Y656 PolarHBondContact O-N 3.14Å; E653-Q657 PolarHBondContact O-N 2.86Å
654D44Very low44Very low112 Ų112137.1 Ų137.160%0.59969%0.69SS**Hα-helixtrans-61.5-38.3-169.8-17370.7000113.2Y656 Q657 K658D654-Y656 PolarHBondContact O-N 3.32Å; D654-Q657 PolarHBondContact O-N 2.91Å; D654-K658 PolarHBondContact O-N 3.02Å; D654-K658 VanDerWaalsContact O-N 3.13Å
655R44.4Very low44.1Very low185 Ų185135.5 Ų135.570%0.69868%0.684SS**Hα-helixtrans-64.3-22.3176.8-73.4-116.8-73.5178.8-4.8113.3E653 H659E653-R655 VanDerWaalsContact C-N 3.34Å; E653-R655 PolarHBondContact O-N 3.1Å; R655-H659 PolarHBondContact O-CD2 2.85Å
656Y47.3Very low44.7Very low185 Ų185134.4 Ų134.473%0.72568%0.681SS**Hα-helixtrans-82.2-44.8174.1-137.3-95.1000111.2E653 D654 K658 H659E653-Y656 PolarHBondContact O-N 3.14Å; D654-Y656 PolarHBondContact O-N 3.32Å; Y656-K658 VanDerWaalsContact C-N 3.28Å; Y656-K658 PolarHBondContact O-N 2.83Å; Y656-H659 PolarHBondContact O-N 3.3Å
657Q48.1Very low44.3Very low130 Ų130135.9 Ų135.961%0.60768%0.682SS**Hα-helixtrans-58.5-38.9-179.2-149.582.979.900112.4E653 D654 H659 A661E653-Q657 PolarHBondContact O-N 2.86Å; D654-Q657 PolarHBondContact O-N 2.91Å; Q657-H659 VanDerWaalsContact C-N 3.32Å; Q657-H659 PolarHBondContact O-N 3.4Å; Q657-A661 PolarHBondContact O-N 3.45Å
658K45.4Very low44Very low136 Ų136138.6 Ų138.659%0.59169%0.685SS**Hα-helixtrans-65.9-29.2-178.6-165173.8-176179.60113.8D654 Y656 I662D654-K658 PolarHBondContact O-N 3.02Å; D654-K658 VanDerWaalsContact O-N 3.13Å; Y656-K658 VanDerWaalsContact C-N 3.28Å; Y656-K658 PolarHBondContact O-N 2.83Å; K658-I662 WeakPolarHBondContact O-CG1 3.44Å
659H44.8Very low43.8Very low113 Ų113141.2 Ų141.252%0.52369%0.692SS.*Hα-helixtrans-79.2-36.6-178.5-78.5-111.8000112.7R655 Y656 Q657 A661 I662 F663R655-H659 PolarHBondContact O-CD2 2.85Å; Y656-H659 PolarHBondContact O-N 3.3Å; Q657-H659 VanDerWaalsContact C-N 3.32Å; Q657-H659 PolarHBondContact O-N 3.4Å; H659-A661 VanDerWaalsContact C-N 3.29Å; H659-A661 PolarHBondContact O-N 3.41Å; H659-I662 PolarHBondContact O-N 2.81Å; H659-F663 WeakPolarHBondContact O-CD2 3.5Å
660E46.6Very low43.2Very low120 Ų120143 Ų14356%0.56169%0.688SS**Hα-helixtrans-65.3-33.8173.9-66.3-165.7135.400112.2I662 S664E660-I662 VanDerWaalsContact C-N 3.33Å; E660-I662 PolarHBondContact O-N 3.21Å; E660-S664 PolarHBondContact O-N 3.37Å; E660-S664 PolarHBondContact O-OG 2.94Å
661A48.9Very low42.9Very low64 Ų64145.4 Ų145.453%0.52969%0.693SS.*Hα-helixtrans-61.9-36.6176.300000113.2Q657 H659 S664Q657-A661 PolarHBondContact O-N 3.45Å; H659-A661 VanDerWaalsContact C-N 3.29Å; H659-A661 PolarHBondContact O-N 3.41Å; A661-S664 PolarHBondContact O-N 2.87Å
662I46.6Very low42.3Very low96 Ų96143.8 Ų143.849%0.49269%0.691SS.*Hα-helixtrans-70.6-46.9-178.1-67.2166.1000110.9K658 H659 E660 S664 A665K658-I662 WeakPolarHBondContact O-CG1 3.44Å; H659-I662 PolarHBondContact O-N 2.81Å; E660-I662 VanDerWaalsContact C-N 3.33Å; E660-I662 PolarHBondContact O-N 3.21Å; I662-S664 PolarHBondContact O-N 3.08Å; I662-A665 PolarHBondContact O-N 2.8Å
663F42.2Very low41.9Very low152 Ų152144 Ų14467%0.66769%0.69SS**Hα-helixtrans-69-18.8177.4-73.5-75.5000113.9H659 A665H659-F663 WeakPolarHBondContact O-CD2 3.5Å; F663-A665 VanDerWaalsContact C-N 3.31Å
664S43.2Very low41.2Very low92 Ų92142.7 Ų142.764%0.64369%0.689SS**THydrogen-bonded Turntrans-74.1-18.5174-59.40000113.6E660 A661 I662E660-S664 PolarHBondContact O-N 3.37Å; E660-S664 PolarHBondContact O-OG 2.94Å; A661-S664 PolarHBondContact O-N 2.87Å; I662-S664 PolarHBondContact O-N 3.08Å
665A42.9Very low40.5Very low72 Ų72147.7 Ų147.760%0.59570%0.701SS**SBendtrans-82-24.2-174.500000114.3I662 F663I662-A665 PolarHBondContact O-N 2.8Å; F663-A665 VanDerWaalsContact C-N 3.31Å
666L46Very low39.8Very low150 Ų150144.2 Ų144.279%0.78571%0.705SS**SBendtrans-93.2-4.8-171-77.5166.1000115.1
667N40Very low39.1Very low144 Ų144141.2 Ų141.277%0.7771%0.711SS**  trans-101.832.7-178.3-87.9-44.3000113.4
668R37.8Very low38.3Very low227 Ų227144.1 Ų144.186%0.85772%0.724SS**  trans-87.2-11.8-169.6-137.8175.6-170.7179.83.2115.9
669D39.1Very low37.6Very low162 Ų162149 Ų14987%0.86674%0.739SS**  trans-107.971.9179.4-70.6-53000112.5
670Y31.6Very low36.9Very low220 Ų220148.9 Ų148.986%0.86375%0.746SS**  trans-138.6113.6160.2-134.1-93.7000110.8F672Y670-F672 PolarHBondContact O-N 3.34Å; Y670-F672 VanDerWaalsContact O-N 3.14Å
671S33.4Very low36.1Very low116 Ų116150.9 Ų150.981%0.81176%0.755SS**  trans-74.2104.7-176.5-175.10000110.7
672F29.2Very low35Very low177 Ų177152 Ų15278%0.77676%0.759SS**  trans-75.4132.7172.8-160.4-97.7000110.1Y670Y670-F672 PolarHBondContact O-N 3.34Å; Y670-F672 VanDerWaalsContact O-N 3.14Å
673R33.6Very low34.2Very low215 Ų215155.7 Ų155.781%0.81177%0.774SS**  trans-95.6107.1174.5-103.7-73.6-177.3-179.7-1.2109.3
674D30.2Very low33.5Very low129 Ų129155.1 Ų155.169%0.6978%0.778SS**  trans-58.5142169.7-66-59.4000111.9
675Y28.9Very low32.8Very low217 Ų217155.1 Ų155.185%0.85178%0.778SS**  trans-146.9149.1136.6-108.3-72000110.4
676S29.3Very low32.2Very low112 Ų112163.4 Ų163.478%0.78379%0.794SS**  trans-69.7147.9-155.9-500000115.6
677S32.8Very low31.2Very low122 Ų122161.7 Ų161.785%0.85380%0.795SS**  trans-82.6137.5159.250.10000110.6
678E31Very low30.7Very low191 Ų191160 Ų16089%0.89379%0.793SS**  trans-142.1140.5164.7-165.8161.8-135.500109.6
679R31.3Very low30.2Very low238 Ų238158.1 Ų158.190%0.89879%0.794SS**  trans-153.9105.1-171.8-176.2-163-170.2-1725.6111.7
680T31.1Very low29.9Very low110 Ų110157.6 Ų157.668%0.67579%0.791SS**  trans-153.8144.5166.918.50000111.2
681H29.6Very low29.8Very low163 Ų163155 Ų15576%0.75579%0.789SS**  trans32.6111.5157.4-59.3-63.2000120.3
682S24.3Very low29.7Very low87 Ų87156.6 Ų156.661%0.60879%0.788SS**  79.4107.658.176.40000115.3
683E30.4Very low29.6Very low173 Ų173151.9 Ų151.981%0.80879%0.789SS**  trans52.3111.7155.4-51.1-176.6122.800117.7
684N27.2Very low29.4Very low141 Ų141147.8 Ų147.875%0.75479%0.788SS**  -172.2159.379.7-109.1-73.9000116.5
685S29.8Very low29.2Very low91 Ų91146.2 Ų146.264%0.63679%0.788SS**  trans41.6119.2142.6-64.30000123.3
686R29.4Very low29.2Very low246 Ų246144.2 Ų144.293%0.92878%0.784SS**  34.2121.9129.4-54.7177.1-176.9-178.61.6119.6
687S25Very low29.3Very low115 Ų115148 Ų14880%0.80478%0.782SS**  -162.7164.1106.5-161.30000111.8
688C28.9Very low29Very low108 Ų108148.1 Ų148.173%0.7377%0.773SS**  trans-86.3160.4157.7-54.60000109.4
689E28.7Very low29Very low187 Ų187143.2 Ų143.287%0.87476%0.76SS**  174.3152.8111.3-93.5178.8126.600112.4
690N31.3Very low29Very low151 Ų151139.6 Ų139.681%0.80775%0.753SS**  trans-87.1143.1163.2-84.6-9.7000108.8
691M30.6Very low28.9Very low167 Ų167138.3 Ų138.382%0.82375%0.749SS**  trans-155.8161.6134.6-113.5-50.1109.700113.2
692N31.2Very low29Very low148 Ų148138.5 Ų138.579%0.79175%0.75SS**  trans-79.4145.4-174.1-59.5-49.4000112.4
693G27.8Very low29.2Very low78 Ų78139.6 Ų139.680%0.80476%0.757SS**  trans-141.9123.6166.300000109.6
694T28.2Very low29.1Very low129 Ų129135 Ų13579%0.79176%0.756SS**  trans-101.2146.9-159.6-33.60000113.5
695S27.6Very low29.5Very low97 Ų97137.5 Ų137.568%0.67876%0.763SS**  trans76.5162.3152.888.60000117.5
696F27.6Very low29.6Very low174 Ų174141.2 Ų141.276%0.76377%0.77SS**  cis-161153.6-0.5-129.1-35.8000110.6
697Y31Very low29.8Very low192 Ų192138.8 Ų138.875%0.75376%0.763SS**  trans63.5148.8167.9-78.4-104.9000117.1
698N26.4Very low30.2Very low124 Ų124140.8 Ų140.866%0.66376%0.764SS**  cis-148.7133.8-3.6-143.215.8000107.8
699S32.9Very low30.6Very low89 Ų89142.6 Ų142.662%0.62277%0.766SS**  35.5137.594.9-600000116.1
700H30.4Very low31.5Very low162 Ų162139.8 Ų139.875%0.7576%0.764SS**  cis-129.6161.411.6-80.1-58000110.2
701S28.6Very low31.9Very low83 Ų83138.8 Ų138.858%0.5876%0.763SS**  cis80.8139.228.383.40000117
702H31.8Very low32.5Very low167 Ų167136.6 Ų136.677%0.77376%0.761SS**  trans96.3119.4-171.6-62.8-69.5000114.5
703S28.3Very low32.5Very low109 Ų109137.5 Ų137.576%0.76276%0.761SS**  cis85.1125.833.683.70000114.5
704G29Very low32.9Very low76 Ų76140.3 Ų140.378%0.78476%0.756SS**  trans160.4132.117400000109.8
705E35.9Very low33Very low194 Ų194140.9 Ų140.991%0.90776%0.755SS**  trans-105.4178.9179.2-61.4-179.3140.100110.4
706E31.7Very low33.8Very low169 Ų169144.1 Ų144.179%0.7976%0.763SS**  trans90.1114.9146.5-145.9164.9-139.600120.9
707Y33.7Very low34.1Very low195 Ų195139.4 Ų139.477%0.76576%0.764SS**  trans85.6137.9140.7-92.8-138.4000125.1
708L33.6Very low34.3Very low158 Ų158135 Ų13583%0.82777%0.767SS**  trans79.4135.8150.3-66.6166.8000122.7
709N37.3Very low34.9Very low146 Ų146137.6 Ų137.678%0.78178%0.78SS**  trans-79.7160.2160.7-79.9-72000110.4
710P46.5Very low35.2Very low128 Ų128141.5 Ų141.583%0.83179%0.788SS**  -143.1175.1103.837.9-23.7000115.8
711V39.8Very low35.5Very low129 Ų129140 Ų14078%0.78279%0.785SS**  trans-103146-174.5167.40000111.6
712P43Very low35.8Very low121 Ų121142.9 Ų142.979%0.78680%0.8SS**  trans-94.1162.2163.336.5-32.3000113
713Q31.8Very low35.7Very low168 Ų168143.4 Ų143.479%0.78580%0.8SS**  trans-137.2160.6-153.7-160.1-167-34.400113.5
714L35.3Very low35.9Very low136 Ų136144.5 Ų144.571%0.71280%0.802SS**  trans74.5159.5169.1-52.6-179000115.9
715D30.4Very low35.8Very low141 Ų141145.1 Ų145.175%0.75480%0.8SS**  cis-143.6175.87.5-149-6.9000114.1
716I44.7Very low36.3Very low165 Ų165141.2 Ų141.285%0.84679%0.791SS**  trans-117.2134.5-176-63.2169.3000111.6
717G34.9Very low36.1Very low76 Ų76138.8 Ų138.878%0.78479%0.788SS**  trans143.586.9156.900000116.5
718A34.7Very low35.8Very low100 Ų100134.5 Ų134.583%0.82679%0.787SS**  trans-160.436.1173.700000115.3
719L39.3Very low35.9Very low177 Ų177133.2 Ų133.293%0.92779%0.786SS**  trans-142.654.7-178.7-102-177.1000115.1
720E38Very low36.3Very low172 Ų172131.9 Ų131.980%0.80479%0.785SS**  trans-133.6121168.9-70.8-162.2-126.700113.3
721N37.3Very low35.5Very low129 Ų129131.2 Ų131.269%0.6978%0.783SS**  trans62.399.1147.2-56.8-42.4000120.8
722V35.4Very low35Very low145 Ų145130.3 Ų130.388%0.87978%0.783SS**  trans-117.888.7147.9-1780000110.5
723F29.4Very low35.1Very low177 Ų177132 Ų13278%0.77678%0.784SS**  trans29.7113.1144.6-68.2-78.8000122.4
724T32.3Very low35.2Very low133 Ų133132.5 Ų132.582%0.81679%0.786SS**  89.2139.5125.8-47.80000120.6
725A27.9Very low35.7Very low88 Ų88134.1 Ų134.173%0.72779%0.79SS**  trans-76.8179.1-179.200000113.1
726P44.8Very low35.9Very low113 Ų113133.4 Ų133.473%0.73479%0.79SS**  cis-129.7-167.219.835-10.2000113.6
727T28.6Very low35.4Very low117 Ų117132 Ų13272%0.71878%0.784SS**  cis-163.2154.626.4-27.90000113.1
728S27.3Very low35.5Very low105 Ų105135.1 Ų135.173%0.73479%0.788SS**  trans52.4116.6150.258.20000123.3
729T35.9Very low35.5Very low132 Ų132135 Ų13581%0.8178%0.777SS**  trans-57.6166.9149.5490000113.3
730P44.3Very low35.7Very low117 Ų117133.8 Ų133.876%0.7677%0.772SS**  cis-158.2170.440.445.3-23.5000122.2
731S30.7Very low36.2Very low115 Ų115129.9 Ų129.980%0.80476%0.763SS**  trans55.9119.5137.5-176.90000122.5
732S29.8Very low36.6Very low110 Ų110130.9 Ų130.977%0.76977%0.769SS**  -169.7158.5100.3-164.90000112.8
733I45.4Very low37.3Very low157 Ų157131.8 Ų131.881%0.80576%0.763SS**  trans-81.3145.2162.9-65.2166.5000108.7
734Q33.8Very low38.2Very low177 Ų177131.3 Ų131.383%0.82776%0.764SS**  trans-144.6131.2157.6-171.4150.411.900110.8
735Q44.1Very low38.8Very low171 Ų171132.1 Ų132.180%0.79976%0.758SS**  trans-72138.5164.9-65.5166-66.600108.5
736V34.4Very low40Very low126 Ų126135.1 Ų135.176%0.76476%0.757SS**  trans-118.8112.1166.9-179.20000107.3
737N35.8Very low40.1Very low134 Ų134134.5 Ų134.572%0.71774%0.744SS**  trans-70.9128.8166.1-62.6-29.2000107.3T739N737-T739 HydrophobicContact CB-CG2 4.44Å; N737-T739 PolarHBondContact O-N 3.16Å
738V35.6Very low40.9Very low143 Ų143134.9 Ų134.987%0.86774%0.736SS**  trans-85.1104161.1-179.50000105.8
739T36.1Very low42Very low98 Ų98133.9 Ų133.960%0.60173%0.725SS**  trans-87.5135.4172.845.70000109.6N737 S741N737-T739 HydrophobicContact CB-CG2 4.44Å; N737-T739 PolarHBondContact O-N 3.16Å; T739-S741 PolarHBondContact O-N 3.09Å
740D43.5Very low42.8Very low151 Ų151133.5 Ų133.581%0.80772%0.718SS**  trans-57.2130.5161.8-68.4-67.5000109.2
741S47.7Very low43.1Very low89 Ų89136.7 Ų136.762%0.62271%0.714SS**  trans-155.627.5-176.9-61.30000113.3T739T739-S741 PolarHBondContact O-N 3.09Å
742D46.1Very low43.8Very low150 Ų150136.8 Ų136.880%0.80271%0.706SS**SBendtrans-98-12.9168.2-83.1-35.1000112.4
743E50.1Low44.5Very low164 Ų164140.7 Ų140.777%0.76672%0.717SS**Hα-helixtrans-84.6-26.9-171.4-55-165.916200114.1
744E47.3Very low44.4Very low168 Ų168139.9 Ų139.979%0.78571%0.713SS**Hα-helixtrans-80.7-26.6-175.4-167.2172.3-175.600113.3K748E744-K748 PolarHBondContact O-N 3.21Å; E744-K748 VanDerWaalsContact O-N 3.11Å
745E46.8Very low45Very low150 Ų150137.9 Ų137.970%0.70171%0.707SS**Hα-helixtrans-72.8-34-179.7-167.7163.6-154.700112.1K748 V749E745-K748 PolarHBondContact O-N 3.2Å; E745-V749 WeakPolarHBondContact O-CG2 3.49Å; E745-V749 PolarHBondContact O-N 3.26Å; E745-V749 VanDerWaalsContact O-N 3.13Å
746E51.4Low45Very low150 Ų150136.1 Ų136.170%0.70170%0.702SS**Hα-helixtrans-72-36.3175.6-162.7168.8-133.400112.1K748 V749 L750E746-K748 VanDerWaalsContact C-N 3.33Å; E746-K748 PolarHBondContact O-N 3.42Å; E746-V749 PolarHBondContact O-N 3.29Å; E746-L750 PolarHBondContact O-N 3.27Å
747E48.1Very low45.7Very low100 Ų100136.7 Ų136.747%0.46770%0.698SS.*Hα-helixtrans-65.1-38.1172.7-152.1-14611100111.6L750 R751E747-L750 PolarHBondContact O-N 3.04Å; E747-R751 PolarHBondContact O-N 3.49Å; E747-R751 IonicContact OE1-CZ 3.81Å; E747-R751 IonicContact OE1-NE 2.76Å; E747-R751 PolarHBondContact OE1-NE 3.41Å; E747-R751 IonicContact OE1-NH2 3.69Å; E747-R751 PolarHBondContact OE1-NH2 3.08Å
748K44Very low46.3Very low125 Ų125136.9 Ų136.954%0.54370%0.697SS.*Hα-helixtrans-65.5-41.7178.7-166.1-175.9178.4-59.30112.2E744 E745 E746 L750 R751 D752E744-K748 PolarHBondContact O-N 3.21Å; E744-K748 VanDerWaalsContact O-N 3.11Å; E745-K748 PolarHBondContact O-N 3.2Å; E746-K748 VanDerWaalsContact C-N 3.33Å; E746-K748 PolarHBondContact O-N 3.42Å; K748-L750 PolarHBondContact O-N 3.15Å; K748-R751 PolarHBondContact O-N 2.93Å; K748-R751 VanDerWaalsContact O-N 3.12Å; K748-D752 IonicContact NZ-OD2 3.91Å; K748-D752 PolarHBondContact NZ-OD2 3.46Å; K748-D752 PolarHBondContact O-N 2.81Å
749V52.1Low47Very low85 Ų85136.5 Ų136.552%0.51569%0.686SS.*Hα-helixtrans-63.2-28.8175.2172.30000111.9E745 E746 R751E745-V749 WeakPolarHBondContact O-CG2 3.49Å; E745-V749 PolarHBondContact O-N 3.26Å; E745-V749 VanDerWaalsContact O-N 3.13Å; E746-V749 PolarHBondContact O-N 3.29Å; V749-R751 VanDerWaalsContact C-N 3.35Å
750L51Low47.8Very low123 Ų123139.2 Ų139.264%0.64469%0.692SS**THydrogen-bonded Turntrans-80.7-5.7175.5-77167.4000115E746 E747 K748E746-L750 PolarHBondContact O-N 3.27Å; E747-L750 PolarHBondContact O-N 3.04Å; K748-L750 PolarHBondContact O-N 3.15Å
751R50.7Low48.1Very low184 Ų184138.3 Ų138.369%0.69468%0.683SS**THydrogen-bonded Turntrans-101.1-19171.2-62.3-164.4-160.4174.610.2114.3E747 K748 V749 L753E747-R751 PolarHBondContact O-N 3.49Å; E747-R751 IonicContact OE1-CZ 3.81Å; E747-R751 IonicContact OE1-NE 2.76Å; E747-R751 PolarHBondContact OE1-NE 3.41Å; E747-R751 IonicContact OE1-NH2 3.69Å; E747-R751 PolarHBondContact OE1-NH2 3.08Å; K748-R751 PolarHBondContact O-N 2.93Å; K748-R751 VanDerWaalsContact O-N 3.12Å; V749-R751 VanDerWaalsContact C-N 3.35Å; R751-L753 VanDerWaalsContact C-N 3.3Å
752D46.2Very low48.1Very low117 Ų117142.4 Ų142.463%0.62669%0.688SS**  trans-94.422.8177.8-68.2-36.3000111.9K748K748-D752 IonicContact NZ-OD2 3.91Å; K748-D752 PolarHBondContact NZ-OD2 3.46Å; K748-D752 PolarHBondContact O-N 2.81Å
753L43.9Very low48.3Very low193 Ų193141.7 Ų141.7100%1.0168%0.678SS**  trans-130.90-179.3-96.8170.6000112.4R751R751-L753 VanDerWaalsContact C-N 3.3Å

Retrieved 753 of 753 residues in 1310.9 ms (Link to these results)