A0A087WXB3_HUMAN Loading...

Sterile alpha motif domain containing 11

AlphaFold DB , UniProt , Accession A0A087WXB3, Species HUMAN (Homo sapiens, Human), Gene SAMD11, Length 556 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.5Very low49.6Very low248 Ų248150.1 Ų150.1100%1.22283%0.829SS**  0147.10-68.4171.171.500108.6
2S49.8Very low50.7Low118 Ų118148.8 Ų148.883%0.82582%0.818SS**  trans-88.9135.6-171.5-43.90000113.2
3K46.6Very low51.6Low215 Ų215141.2 Ų141.294%0.93578%0.781SS**  trans-179.8137.7157.5-95147.5-174.8-175.30106.3
4G45.1Very low52Low68 Ų68141.6 Ų141.670%0.70178%0.781SS**  cis149.977.5-0.100000109.7L6G4-L6 PolarHBondContact O-N 2.73Å
5I51.1Low52.8Low165 Ų165137.5 Ų137.585%0.84677%0.765SS**  trans-73.6113.7-174.1-59.3174000109.7Q7I5-Q7 PolarHBondContact O-N 2.62Å; I5-Q7 VanDerWaalsContact O-N 3.12Å
6L50.3Low52.7Low159 Ų159137.6 Ų137.683%0.83277%0.773SS**  trans-78.588.9172.5-94.5161.7000110G4 V8G4-L6 PolarHBondContact O-N 2.73Å; L6-V8 PolarHBondContact O-N 2.74Å
7Q49.1Very low52.9Low158 Ų158134.2 Ų134.274%0.73878%0.777SS**  trans-76.987.8175.3-171.317012.900110.6I5I5-Q7 PolarHBondContact O-N 2.62Å; I5-Q7 VanDerWaalsContact O-N 3.12Å
8V50.9Low53.3Low128 Ų128129.1 Ų129.178%0.77675%0.749SS**PPolyproline II helixtrans-71.3123.9168.5-77.50000110.1L6L6-V8 PolarHBondContact O-N 2.74Å
9H49.1Very low53.4Low162 Ų162134.6 Ų134.675%0.7576%0.756SS**PPolyproline II helixtrans-74.9140.6175.6-78.3-100.8000110.8
10P57.4Low53.2Low104 Ų104135.7 Ų135.768%0.67576%0.759SS**PPolyproline II helixtrans-68.6151.2173.129.9-34.9000111.1I12P10-I12 PolarHBondContact O-N 2.68Å
11P57Low53.1Low126 Ų126131.1 Ų131.182%0.81874%0.736SS**PPolyproline II helixtrans-65.413317727.7-34.2000110.9
12I63.2Low53.1Low135 Ų135122.8 Ų122.869%0.69270%0.702SS**PPolyproline II helixtrans-82.3141.5177.3-54.6178.1000108.7P10P10-I12 PolarHBondContact O-N 2.68Å
13C62.2Low53Low50 Ų50122.5 Ų122.534%0.33870%0.697SS.*  trans-111123-178.5178.40000110.6C15 S21C13-C15 VanDerWaalsContact SG-SG 3.6Å; C13-S21 WeakPolarHBondContact O-CB 3.37Å; C13-S21 PolarHBondContact O-OG 2.77Å
14D56.3Low53Low147 Ų147118.3 Ų118.379%0.78669%0.689SS**  trans-100.824.8-176.2-68-43.7000113.4
15C64.5Low52.7Low79 Ų79122.5 Ų122.553%0.53470%0.696SS.*  trans-73132.3173.9-640000111.5C13 G17 C18C13-C15 VanDerWaalsContact SG-SG 3.6Å; C15-G17 PolarHBondContact O-N 2.73Å; C15-G17 VanDerWaalsContact O-N 3.13Å; C15-C18 HydrophobicContact CB-CB 4.42Å; C15-C18 WeakPolarHBondContact O-CB 3.46Å; C15-C18 PolarHBondContact O-N 3.16Å
16P50.8Low52.6Low139 Ų139125.8 Ų125.890%0.90370%0.697SS**THydrogen-bonded Turntrans-61.6118.1176.825.4-33.4000110.4
17G56.8Low52.4Low81 Ų81121.9 Ų121.984%0.83570%0.696SS**THydrogen-bonded Turntrans104.9-8.8-174.500000115.1C15 R19C15-G17 PolarHBondContact O-N 2.73Å; C15-G17 VanDerWaalsContact O-N 3.13Å; G17-R19 PolarHBondContact O-N 3.17Å
18C59Low52.1Low42 Ų42125.6 Ų125.628%0.28470%0.703SS.*  trans-70.9119.1175.1-163.50000111.3C15 I20 S21C15-C18 HydrophobicContact CB-CB 4.42Å; C15-C18 WeakPolarHBondContact O-CB 3.46Å; C15-C18 PolarHBondContact O-N 3.16Å; C18-I20 VanDerWaalsContact C-N 3.34Å; C18-I20 PolarHBondContact O-N 3.14Å; C18-S21 PolarHBondContact O-OG 3.13Å
19R55.3Low51.8Low234 Ų234128 Ų12888%0.88371%0.71SS**G310 helixtrans-80.6-6.9-178.8-93-172.1172.5-173.9-1.3115.4G17 S21G17-R19 PolarHBondContact O-N 3.17Å; R19-S21 VanDerWaalsContact C-N 3.3Å
20I51Low51.6Low156 Ų156124.7 Ų124.780%0.871%0.711SS**G310 helixtrans-75.9-21.8-178.8-58.4178.9000111.4C18C18-I20 VanDerWaalsContact C-N 3.34Å; C18-I20 PolarHBondContact O-N 3.14Å
21S49.6Very low50.6Low40 Ų40127 Ų12728%0.2872%0.718SS.*G310 helixtrans-105.633.6-179.639.80000113.5C13 C18 R19C13-S21 WeakPolarHBondContact O-CB 3.37Å; C13-S21 PolarHBondContact O-OG 2.77Å; C18-S21 PolarHBondContact O-OG 3.13Å; R19-S21 VanDerWaalsContact C-N 3.3Å
22S39.3Very low49.8Very low73 Ų73130 Ų13051%0.5172%0.718SS.*  trans-59.3133.9174.2-176.40000111.7V24S22-V24 PolarHBondContact O-N 3.47Å
23P48Very low49Very low111 Ų111135.8 Ų135.872%0.72173%0.731SS**SBendtrans-61.1-15.1-172.3-27.535.8000116.7N25 R26P23-N25 PolarHBondContact O-N 3.06Å; P23-R26 PolarHBondContact O-N 3.35Å
24V47.3Very low47.8Very low127 Ų127139.6 Ų139.677%0.7775%0.753SS**THydrogen-bonded Turntrans-78.842.6-171-158.30000113.2S22S22-V24 PolarHBondContact O-N 3.47Å
25N38.3Very low46.9Very low156 Ų156139.2 Ų139.283%0.83476%0.756SS**THydrogen-bonded Turntrans-142.32165.6-93.4-58.5000113.6P23 G27P23-N25 PolarHBondContact O-N 3.06Å; N25-G27 PolarHBondContact O-N 3.43Å
26R50Low45.3Very low234 Ų234139 Ų13988%0.88376%0.76SS**THydrogen-bonded Turntrans-74.4-4.4-178.5-146.7170.8-170.4141.52.4114.2P23P23-R26 PolarHBondContact O-N 3.35Å
27G44.5Very low44.5Very low78 Ų78140.3 Ų140.380%0.80476%0.758SS**THydrogen-bonded Turntrans-96.116.9-165.100000117.8N25N25-G27 PolarHBondContact O-N 3.43Å
28R44.5Very low43.8Very low236 Ų236142.2 Ų142.289%0.89176%0.756SS**SBendtrans-139.319.1-179.8-132.3-178.5-163.8-79.20.3117.5
29L44.1Very low42.9Very low177 Ų177144.6 Ų144.693%0.92778%0.779SS**SBendtrans-138.542.1171.7-159.772.7000112.2
30A44.8Very low42.5Very low93 Ų93138.1 Ų138.177%0.76978%0.775SS**  trans-135.836.3-17600000112.9
31D36Very low41.8Very low152 Ų152142.5 Ų142.581%0.81378%0.782SS**  trans-138.683.5176.7-159-13.1000111.6
32K39.9Very low41Very low191 Ų191147.4 Ų147.483%0.8381%0.805SS**SBendtrans168.571.5156.9-93.3159.5-166.2-62.70112
33R47Very low40.6Very low255 Ų255151.4 Ų151.496%0.96282%0.82SS**  trans-168.7125.9131.3-102.1152.2-169.1173.74110.6
34T37.5Very low39.7Very low131 Ų131154.5 Ų154.580%0.80482%0.822SS**  trans-87.4172.3-165.8-39.50000111.9
35V36.9Very low39Very low138 Ų138156.3 Ų156.384%0.83682%0.819SS**  trans82.5133.2165.1-167.90000115.6
36A30.7Very low38.6Very low75 Ų75154.2 Ų154.262%0.6281%0.805SS**  cis-169.7136.4-34.100000108.8
37L34.1Very low37.8Very low166 Ų166153.4 Ų153.487%0.86980%0.801SS**  trans42.7157.9136.1-58.3-179.8000122.8
38P41.8Very low37.5Very low122 Ų122155.8 Ų155.879%0.79280%0.801SS**  cis-131-177.1-26.236.6-19.1000113
39A40.5Very low37.5Very low92 Ų92150.3 Ų150.376%0.7680%0.796SS**  trans-115.6140.6176.900000114.7
40A47.3Very low37Very low98 Ų98145.7 Ų145.781%0.8178%0.778SS**  trans41.2113.6149.400000121.9
41R36.4Very low36.3Very low248 Ų248150.5 Ų150.594%0.93678%0.782SS**  trans-155.5152.1153-57-175.9-173.9-178.70.7109.4
42N32.4Very low36.1Very low143 Ų143148.4 Ų148.477%0.76578%0.779SS**  cis-167.1164.6-39.8-148-43.1000108.8
43L29.8Very low35.8Very low157 Ų157144.1 Ų144.182%0.82278%0.779SS**  trans67.6156.3171.5-60.9151.7000115.4
44K29.4Very low35.2Very low175 Ų175137.5 Ų137.576%0.76177%0.772SS**  cis-169.9141.941.5-176.8174.3-177176.50113.7
45K33.5Very low35.4Very low165 Ų165138.9 Ų138.972%0.71778%0.775SS**  trans64.8154.5159.8-84.1-171.6175.2-116.40118.7
46E30.6Very low35.4Very low113 Ų113136.1 Ų136.153%0.52878%0.775SS.*  cis-165.7168.2-26.1-141.2-174.7116.200110.2
47R32.9Very low35.9Very low216 Ų216140.1 Ų140.182%0.81579%0.786SS**  trans64.8103154.3-72.2172.6-178.8-128.1-7.3121.6
48T37.2Very low36.2Very low129 Ų129138 Ų13879%0.79179%0.785SS**  -66.4170.7125.742.70000110.3
49P45Very low36.3Very low121 Ų121140.2 Ų140.279%0.78679%0.79SS**  cis-131.7-166.526.726.8-0.8000113.8
50S32.7Very low36.1Very low79 Ų79139 Ų13955%0.55279%0.786SS**  cis-172.8162.8-37.2-80.60000108
51F31.1Very low35.8Very low194 Ų194140.4 Ų140.485%0.85179%0.79SS**  trans68.2159167-47.2-60.4000116.1
52S30.5Very low35.8Very low108 Ų108132 Ų13276%0.75578%0.781SS**  cis-162.6169.1-26.1-96.80000109.8
53A34.3Very low36.9Very low101 Ų101131 Ų13184%0.83578%0.782SS**  trans-27.6153.7175.700000120.8
54S34.3Very low37.3Very low116 Ų116130 Ų13081%0.81178%0.782SS**  -167.3155129.3-1670000111.7
55D41.3Very low37.5Very low160 Ų160127.9 Ų127.986%0.85679%0.788SS**  trans-82.8173.8-178.8-46.1-94.4000114
56G38.5Very low37.4Very low81 Ų81123.5 Ų123.584%0.83579%0.79SS**  trans-176.9110.8173.100000115.9
57D39.5Very low37.4Very low159 Ų159130.1 Ų130.185%0.8581%0.81SS**  trans-70.9158.8174.4-95.7-62.6000115
58S42.3Very low37.6Very low122 Ų122130.5 Ų130.585%0.85381%0.812SS**  trans-178.4136.9131.1-79.70000114.3
59D42.8Very low38.1Very low167 Ų167129.9 Ų129.989%0.89381%0.81SS**  trans-75170.5168.4-71.8-68.7000114
60G37.5Very low37.3Very low66 Ų66127.6 Ų127.668%0.6881%0.808SS**  trans160.593.1146.300000121.1
61S40Very low37.6Very low129 Ų129132.8 Ų132.890%0.90283%0.829SS**  trans72137.4139.2-56.30000122.8
62G36.9Very low37.7Very low71 Ų71131.8 Ų131.873%0.73282%0.824SS**  trans-89.4-152.6161.900000112.8
63P54.9Low37.6Very low122 Ų122134.2 Ų134.279%0.79282%0.823SS**  cis-136.5-177.336.340.6-21.4000115.2
64T37.4Very low37.4Very low136 Ų136135.9 Ų135.983%0.83481%0.814SS**  -173.9161.997.328.40000112.7
65C33.6Very low37.1Very low131 Ų131138.6 Ų138.689%0.88582%0.819SS**  trans-87.3165177.856.70000112.7
66G31.6Very low37Very low73 Ų73133.5 Ų133.575%0.75380%0.804SS**  cis161.1-167.9-1.200000111.5
67R32.3Very low37.4Very low252 Ų252135.7 Ų135.795%0.95180%0.804SS**  trans125.3152.2166.4-157.2171.5-152.4-97.35.6114.5
68R36.1Very low37.2Very low224 Ų224136.7 Ų136.785%0.84580%0.803SS**  trans-123.3178-169-88.3-173-179.3-142.74.2110.4
69P47Very low36.8Very low116 Ų116139 Ų13975%0.75380%0.804SS**  cis-138.9160.6-3435.8-19000115.3
70G29.8Very low36.5Very low73 Ų73141.5 Ų141.575%0.75380%0.801SS**  trans73.1139.7136.300000121.8
71L39Very low36.7Very low188 Ų188145.7 Ų145.798%0.98481%0.806SS**  trans-177.3174.1138.5-99.6171.3000109.5
72K32.4Very low36.6Very low173 Ų173147.8 Ų147.875%0.75280%0.804SS**  trans-141.7115-170.6170.9-163.3163.1-169.80111.1
73Q29.3Very low36.5Very low159 Ų159153.8 Ų153.874%0.74381%0.81SS**  trans-176118.6171-126.881.293.700102.9
74E28.5Very low35.6Very low136 Ų136157 Ų15764%0.63681%0.806SS**  cis88.2138.637.899.1-148.631.800115.1
75D29.2Very low35.3Very low172 Ų172156.3 Ų156.392%0.9281%0.807SS**  trans60.2159.8-179.9-105.2-69.7000121.1
76G38.6Very low35.7Very low53 Ų53155.5 Ų155.555%0.54679%0.79SS.*  trans-135.6-178.5-166.800000116.5
77P46Very low36Very low127 Ų127158.7 Ų158.783%0.82579%0.79SS**  trans-95.5124.2-178.434.7-30.4000112.6
78H35.3Very low36.1Very low180 Ų180150.1 Ų150.183%0.83378%0.78SS**  67.9103.974.3-95.370.5000116.6
79I34.9Very low36Very low170 Ų170147 Ų14787%0.87278%0.78SS**  trans-139.3138.7132.5-63.2-168.2000110.5
80R36.6Very low35.8Very low220 Ų220148.8 Ų148.883%0.8378%0.783SS**  trans-42.3141.4177.1-58.9162.4179.3-177-2.6114.5
81I41Very low36.6Very low154 Ų154150.7 Ų150.779%0.7978%0.782SS**  58.5115.963.8-56.9174.4000110.4
82M38.2Very low36.8Very low174 Ų174147.7 Ų147.786%0.85777%0.771SS**  -147.6127.674.4-75.3176.165.200116.8
83K34.8Very low37.5Very low196 Ų196147.2 Ų147.285%0.85278%0.776SS**  trans36.798.9133.7-163.6174.5179.1-1770121.3
84R35.8Very low38.4Very low190 Ų190147.5 Ų147.572%0.71778%0.781SS**  trans-16.6139.1141.1-177.3-170.4-63.8-164.71.1117.6
85S30.7Very low39Very low122 Ų122147 Ų14785%0.85379%0.793SS**  trans-115.4166.4141.3-163.90000109.5
86Q43.6Very low39.7Very low113 Ų113144.5 Ų144.553%0.52879%0.789SS.*  trans-139154.5-163.6-136.5179.8-9000112.9
87D37.4Very low39.8Very low141 Ų141148.6 Ų148.675%0.75480%0.803SS**  trans64130.3160.5-49.7-42.8000119.4
88G34.4Very low39.8Very low72 Ų72152 Ų15274%0.74281%0.807SS**  trans177.564.1-176.100000116.3
89N32.7Very low40.3Very low157 Ų157155.3 Ų155.384%0.8481%0.812SS**  trans18.1113.6161.9-58.9-68.5000119.7P91N89-P91 VanDerWaalsContact O-CD 3.3Å; N89-P91 WeakPolarHBondContact O-CD 3.37Å
90L43.9Very low40.5Very low155 Ų155152.9 Ų152.981%0.81281%0.81SS**  trans-77.8115.3163.6174.368.8000110.8
91P46.4Very low40.7Very low112 Ų112154 Ų15473%0.72781%0.814SS**  trans-151.777.8133.436.7-17.4000113.9N89N89-P91 VanDerWaalsContact O-CD 3.3Å; N89-P91 WeakPolarHBondContact O-CD 3.37Å
92T43.7Very low40.4Very low125 Ų125154.9 Ų154.977%0.76782%0.815SS**  trans-13720.2178.4-240000115.1
93L47.4Very low40.3Very low163 Ų163155.1 Ų155.185%0.85382%0.819SS**  trans-126.331.9-179.9-71.3177.5000114.6
94I47.4Very low40.4Very low166 Ų166151.4 Ų151.485%0.85181%0.812SS**  trans-127.481.7163.5-51-178.3000108.6
95S41.8Very low40.3Very low126 Ų126150.3 Ų150.388%0.88182%0.817SS**  trans-158.347.3170.7-76.90000111.9
96S42.3Very low40.6Very low119 Ų119149.9 Ų149.983%0.83281%0.812SS**SBendtrans-146.122.5171.4-150.40000114.5
97V41.1Very low40.2Very low139 Ų139153 Ų15384%0.84283%0.826SS**SBendtrans-136.554.8175.2-164.20000110.9
98H46.5Very low39.9Very low197 Ų197155 Ų15591%0.91283%0.831SS**  trans-148.334.1177.1-115.9-76.6000115
99R45.8Very low39.9Very low251 Ų251159.5 Ų159.595%0.94783%0.832SS**SBendtrans-144.239.6179.2-145.8177.8-169.5168.54.6116.9
100S38.4Very low39.9Very low118 Ų118157 Ų15783%0.82583%0.827SS**  trans-15769.2161.6-160.40000114.2
101R41Very low39.1Very low243 Ų243159.2 Ų159.292%0.91783%0.825SS**  trans-149.883.4157.8-74.3-158.9179.9-162.4-0.2109.9
102H35.1Very low38.3Very low174 Ų174160 Ų16081%0.80683%0.831SS**  trans-15457.1169.1-139.7-72.7000113.2
103L36Very low37.6Very low178 Ų178160.8 Ų160.893%0.93283%0.826SS**  trans-122.1112.4157.7-73.4177.9000107.7
104V36.9Very low36.7Very low118 Ų118162 Ų16272%0.71583%0.825SS**  trans-88.1134.3175171.50000108.1
105M33Very low35.9Very low168 Ų168161 Ų16183%0.82882%0.817SS**  trans-138.1153.2157.7-74.5-56.5-7400109.3
106P38.7Very low35.5Very low113 Ų113166.2 Ų166.273%0.73482%0.817SS**  trans-83.9153.7-149.8-16.733.3000116.5
107E34.6Very low34.8Very low178 Ų178164.2 Ų164.283%0.83282%0.816SS**  trans-76122.4170.4-58.2172.4138.300110.5Q109E107-Q109 PolarHBondContact O-N 3.08Å
108H31.9Very low34.2Very low184 Ų184162.3 Ų162.385%0.85281%0.809SS**  trans-91.491.2177.4-142.3-61.6000110.9S110H108-S110 PolarHBondContact O-N 3.22Å
109Q33.4Very low33.6Very low166 Ų166161 Ų16178%0.77681%0.807SS**  trans-69.6127.6169.8-66.9-174.84.200110.6E107E107-Q109 PolarHBondContact O-N 3.08Å
110S32.2Very low33Very low105 Ų105155.9 Ų155.973%0.73479%0.794SS**  trans-127.474166.846.70000110H108 C112H108-S110 PolarHBondContact O-N 3.22Å; S110-C112 PolarHBondContact O-N 2.89Å
111R28.6Very low32.7Very low201 Ų201158 Ų15876%0.75880%0.795SS**  trans-72.2107.7177.2179.8-173.3176.6-143.40.4110.7E113R111-E113 IonicContact CZ-OE2 3.14Å; R111-E113 IonicContact NE-OE2 2.75Å; R111-E113 PolarHBondContact NE-OE2 3.12Å; R111-E113 IonicContact NH2-OE2 2.69Å; R111-E113 PolarHBondContact NH2-OE2 2.97Å
112C29.4Very low32.1Very low128 Ų128149.7 Ų149.787%0.86578%0.784SS**  trans-119.482.8167.9-72.40000110.4S110S110-C112 PolarHBondContact O-N 2.89Å
113E27.7Very low32Very low141 Ų141150 Ų15066%0.65979%0.791SS**  trans-96.6130.5165.1-70.6179.297.300109.6R111R111-E113 IonicContact CZ-OE2 3.14Å; R111-E113 IonicContact NE-OE2 2.75Å; R111-E113 PolarHBondContact NE-OE2 3.12Å; R111-E113 IonicContact NH2-OE2 2.69Å; R111-E113 PolarHBondContact NH2-OE2 2.97Å
114F28.3Very low31.7Very low190 Ų190153 Ų15383%0.83379%0.79SS**  trans-146.8133.9154.9-156.3-109.3000113.5
115Q30.3Very low32.1Very low145 Ų145152.5 Ų152.568%0.67879%0.789SS**  trans18.5111.5169.9-110.360.13.400120.9G117Q115-G117 PolarHBondContact O-N 3.47Å
116R34.2Very low31.9Very low234 Ų234149.7 Ų149.788%0.88379%0.792SS**  trans-52.4126.1149.4173.1-170.6-67.7161.4-2.8110.9
117G26.7Very low31.5Very low78 Ų78148 Ų14880%0.80480%0.795SS**  trans-115.7132.4158.900000109.6Q115Q115-G117 PolarHBondContact O-N 3.47Å
118S29Very low31.6Very low99 Ų99146.8 Ų146.869%0.69279%0.794SS**  trans-143.1123.5-174.5-175.50000110.3
119L34Very low31.9Very low168 Ų168145.3 Ų145.388%0.8879%0.792SS**  trans-15684.2173.5-163.768.9000112.5
120E34.4Very low32.1Very low145 Ų145144.6 Ų144.668%0.67879%0.793SS**  trans27.3140130.2-68-56.3141.600123.1
121I31.2Very low32.1Very low163 Ų163142.4 Ų142.484%0.83679%0.786SS**  trans71.6141.7154.7-59.2154000115.8
122G28.4Very low32.7Very low68 Ų68141.6 Ų141.670%0.70179%0.789SS**  cis-163.5-148.49.200000114.8
123L33.9Very low33Very low180 Ų180146.2 Ų146.294%0.94279%0.788SS**  trans-105.5161.4-159.3-64165000116.7
124R28Very low33.3Very low242 Ų242147 Ų14791%0.91380%0.796SS**  trans-11.3170.1154.2-98.6-170.6-160.8163.75.4120.4
125P45.5Very low33.3Very low107 Ų107140.8 Ų140.870%0.69579%0.785SS**  cis-143.3176.3-4.739.7-20.2000118.4
126A29.8Very low33.2Very low108 Ų108146.3 Ų146.389%0.89380%0.8SS**  trans61.6149.2143.800000123.9
127G30.5Very low32.8Very low77 Ų77140.3 Ų140.379%0.79479%0.794SS**  trans156.5128.7166.600000115.5
128D35.7Very low33.8Very low153 Ų153141.3 Ų141.382%0.81879%0.786SS**  trans-90.6166.5-170.3-55-78000116.8
129L38.3Very low33.8Very low153 Ų153147.7 Ų147.780%0.80180%0.795SS**  162.2138.3110.3-83.8178.2000117
130L38.9Very low33.4Very low152 Ų152146.8 Ų146.880%0.79679%0.789SS**  trans56.4137.9148.7-72.1157.3000121.9
131G31.3Very low32.9Very low58 Ų58144.9 Ų144.960%0.59879%0.792SS**  cis155.1175-9.300000115.3
132K40.3Very low32.7Very low185 Ų185141 Ų14180%0.80478%0.779SS**  trans84.7126.2173.2-47.8154.3-1681740114.6
133R36.3Very low32.7Very low225 Ų225144.9 Ų144.985%0.84978%0.784SS**  69.1137.253.6-67.4-161-63.7-1175.7113.5
134L33.4Very low32.3Very low158 Ų158141.7 Ų141.783%0.82778%0.776SS**  cis-167.3166.4-2-100.3167.5000108.2
135G28.5Very low32.2Very low59 Ų59140 Ų14061%0.60878%0.775SS**  cis131.186.5-15.600000117.7
136R27.9Very low31.4Very low261 Ų261139.5 Ų139.599%0.98577%0.774SS**  trans-174.4166.5166.9-107.1174.9-166-131.92.3115.3
137S26.7Very low31.5Very low108 Ų108141.8 Ų141.876%0.75577%0.767SS**  trans-107.2-168.2173.2-155.90000109.2
138P47.4Very low31.5Very low98 Ų98146.5 Ų146.564%0.63677%0.765SS**  cis-154.3177.77.748.6-28.1000121.2
139R28.5Very low31.4Very low233 Ų233150.4 Ų150.488%0.87977%0.768SS**  trans62.5175.7159-47.1-152.3-165.7-113.94.2116.9
140I26.6Very low31Very low149 Ų149147 Ų14776%0.76476%0.762SS**  cis-145.8161.69-39.4158.8000110.7
141S24.1Very low30.6Very low105 Ų105151.1 Ų151.173%0.73477%0.767SS**  trans69.2159.4154.1-95.30000120.3
142S26.5Very low30.5Very low82 Ų82152.6 Ų152.657%0.57377%0.768SS**  cis-169175.1-34.445.40000110.7
143D27.8Very low30.1Very low150 Ų150153.2 Ų153.280%0.80277%0.774SS**  trans80.5150.8156.1-50.8-51.6000120.1
144C26.5Very low29.8Very low113 Ų113147.4 Ų147.476%0.76477%0.767SS**  trans-107.2166.3-173.3-50.50000110.7
145F25.6Very low30.3Very low206 Ų206145.7 Ų145.790%0.90477%0.766SS**  -172.4171.6105.8-113.2-85.3000112
146S28.3Very low30.2Very low96 Ų96151.8 Ų151.867%0.67178%0.779SS**  trans-96.3172.9-168.6-53.90000114.3
147E31.6Very low30.4Very low157 Ų157143.3 Ų143.373%0.73476%0.764SS**  trans74.6157.7162.1-64.9-178.266.200116.4
148K31.6Very low30.5Very low175 Ų175146.8 Ų146.876%0.76177%0.769SS**  cis-147.7164.313.3-143.6165.1-168.6102.40112
149R33.3Very low29.5Very low236 Ų236146.2 Ų146.289%0.89177%0.772SS**  trans-63.5159.4161.2-60.5177.3167.7-160.1-2.4109.2
150A30.3Very low29.5Very low80 Ų80142.5 Ų142.566%0.66177%0.769SS**  172.2166.955.700000111.8
151R29.9Very low29.7Very low240 Ų240142.8 Ų142.891%0.90677%0.771SS**  trans62.9159.2148.8-78.4-176172.8160.5-3.9118.3
152S29.9Very low30.1Very low88 Ų88145.1 Ų145.162%0.61577%0.774SS**  cis-167.8142.9-19.944.90000111.5
153E30.6Very low30.5Very low198 Ų198147.7 Ų147.793%0.92579%0.789SS**  trans63.5170.9153.4-79.9170.894.400120.7
154S31.2Very low30.9Very low103 Ų103149.3 Ų149.372%0.7278%0.784SS**  trans-98.6165.7-162.7-174.60000112.2
155P42.8Very low31.1Very low123 Ų123153 Ų15380%0.79979%0.79SS**  -139.1164.3110.833.5-18.9000116.9
156Q27.4Very low31.9Very low186 Ų186148.9 Ų148.987%0.86978%0.777SS**  trans-56.3162.6166.2-74.2162.1-33.200113.6
157A30.9Very low32.1Very low83 Ų83147.4 Ų147.469%0.68678%0.777SS**  cis-168.1-144.7-14.100000108.9
158E28.8Very low32.9Very low182 Ų182145.3 Ų145.385%0.8578%0.777SS**  trans80.6148.6167-116.171.3161.300121.7
159A27Very low34Very low85 Ų85142.9 Ų142.970%0.70278%0.782SS**  trans79.888.4154.300000122.7
160L29.6Very low35.3Very low156 Ų156135.2 Ų135.282%0.81776%0.757SS**  82.2115.9120.6-67.2177.5000123.1
161L30.2Very low37Very low154 Ų154133.3 Ų133.381%0.80674%0.742SS**  trans85.5106.4138.9-61.3172.8000121.1
162L32.3Very low38.5Very low154 Ų154126.5 Ų126.581%0.80673%0.728SS**  trans-69.6158.7153.6-64.5170.3000111.7
163P34.3Very low40.3Very low136 Ų136128.3 Ų128.388%0.88373%0.727SS**  -86.6139.3128.5-25.437000112
164R36.8Very low42.1Very low185 Ų185121.9 Ų121.970%0.69870%0.699SS**  trans-115134.7-174153.9-176.8166.9171-3.6109.2
165E31Very low44.1Very low189 Ų189123 Ų12388%0.88369%0.692SS**  trans-132.5145.5148.2-87.6-53.4156.500110.7
166L41.2Very low45.4Very low121 Ų121124.7 Ų124.763%0.63468%0.684SS**  trans-134.892.3-160.6-172.175.5000112.2
167G34.2Very low47.7Very low64 Ų64124 Ų12466%0.6667%0.673SS**  trans-77.2141.7164.500000111.3S169G167-S169 PolarHBondContact O-N 3.49Å
168P47.8Very low49.7Very low113 Ų113127.3 Ų127.373%0.73467%0.668SS**  trans-71.5126.3-171.327.4-34.4000112.9M170P168-M170 PolarHBondContact O-N 2.67Å
169S53.8Low52Low125 Ų125122.6 Ų122.687%0.87465%0.648SS**  trans-66.6102.6166-177.30000109.5G167G167-S169 PolarHBondContact O-N 3.49Å
170M61Low53.9Low74 Ų74121.7 Ų121.737%0.36563%0.634SS.*  trans-59.9146.1171.2-65.6-64.5-42.600110.6P168 D174 R178P168-M170 PolarHBondContact O-N 2.67Å; M170-D174 HydrophobicContact CE-CB 3.51Å; M170-D174 WeakPolarHBondContact CE-OD2 3.35Å; M170-R178 PolarHBondContact SD-NH1 3.33Å
171A66.2Low55.7Low41 Ų41117.3 Ų117.334%0.33962%0.616SS.*  trans-64.9145.8171.900000110.8E173 D174 H175A171-E173 PolarHBondContact O-N 3.12Å; A171-E173 VanDerWaalsContact O-N 3.14Å; A171-D174 PolarHBondContact O-N 3.18Å; A171-H175 PolarHBondContact O-N 2.93Å; A171-H175 VanDerWaalsContact O-N 3.16Å
172P61.1Low57.2Low96 Ų96112.6 Ų112.662%0.62360%0.6SS**Hα-helixtrans-52.9-34.1177.5-27.335.3000113.6H175 Y176P172-H175 WeakPolarHBondContact O-CB 3.45Å; P172-H175 PolarHBondContact O-N 3.3Å; P172-Y176 PolarHBondContact O-N 2.85Å
173E67.8Low58.4Low127 Ų127111.1 Ų111.159%0.59359%0.592SS**Hα-helixtrans-68.2-35.7-179.5-62.467.2-146.100112A171 R177A171-E173 PolarHBondContact O-N 3.12Å; A171-E173 VanDerWaalsContact O-N 3.14Å; E173-R177 WeakPolarHBondContact O-CB 3.47Å; E173-R177 WeakPolarHBondContact O-CG 3.47Å; E173-R177 PolarHBondContact O-N 3.4Å
174D68.1Low59.4Low63 Ų63108 Ų10834%0.33757%0.574SS.*Hα-helixtrans-76.9-31174.9-75.1-32.5000112M170 A171 R178M170-D174 HydrophobicContact CE-CB 3.51Å; M170-D174 WeakPolarHBondContact CE-OD2 3.35Å; A171-D174 PolarHBondContact O-N 3.18Å; D174-R178 WeakPolarHBondContact O-CB 3.42Å; D174-R178 WeakPolarHBondContact O-CG 3.26Å; D174-R178 PolarHBondContact O-N 3.31Å
175H74Confident59.9Low125 Ų125106.3 Ų106.358%0.57957%0.573SS**Hα-helixtrans-63.7-46.9169-174.989000110.4A171 P172 R178 L179A171-H175 PolarHBondContact O-N 2.93Å; A171-H175 VanDerWaalsContact O-N 3.16Å; P172-H175 WeakPolarHBondContact O-CB 3.45Å; P172-H175 PolarHBondContact O-N 3.3Å; H175-R178 PolarHBondContact O-N 3.29Å; H175-L179 WeakPolarHBondContact O-CB 3.39Å; H175-L179 PolarHBondContact O-N 3.3Å
176Y70.6Confident60.8Low159 Ų159101.1 Ų101.162%0.62456%0.563SS**Hα-helixtrans-60.7-45.2175-175.7-99.9000112.2P172 L179 V180P172-Y176 PolarHBondContact O-N 2.85Å; Y176-L179 PolarHBondContact O-N 2.93Å; Y176-V180 HydrophobicContact CD1-CG2 4.13Å; Y176-V180 HydrophobicContact CE1-CG2 3.7Å; Y176-V180 HydrophobicContact CE2-CG2 4.21Å; Y176-V180 WeakPolarHBondContact O-CG2 3.39Å; Y176-V180 PolarHBondContact O-N 3.3Å
177R74.4Confident60.8Low172 Ų172100.2 Ų100.265%0.64957%0.567SS**Hα-helixtrans-64.8-39.7177.3-74.8-146.4-69.7172.1-5.1113E173 L179 V180 S181E173-R177 WeakPolarHBondContact O-CB 3.47Å; E173-R177 WeakPolarHBondContact O-CG 3.47Å; E173-R177 PolarHBondContact O-N 3.4Å; R177-L179 VanDerWaalsContact C-N 3.33Å; R177-L179 PolarHBondContact O-N 3.33Å; R177-V180 PolarHBondContact O-N 3.11Å; R177-S181 WeakPolarHBondContact O-CB 3.46Å; R177-S181 PolarHBondContact O-N 3.31Å; R177-S181 PolarHBondContact O-OG 3.25Å
178R73.9Confident61.1Low153 Ų153102.8 Ų102.858%0.57757%0.57SS**Hα-helixtrans-62.2-40.2172.7-76176.7-178.2157.26.6112.2M170 D174 H175 S181 A182M170-R178 PolarHBondContact SD-NH1 3.33Å; D174-R178 WeakPolarHBondContact O-CB 3.42Å; D174-R178 WeakPolarHBondContact O-CG 3.26Å; D174-R178 PolarHBondContact O-N 3.31Å; H175-R178 PolarHBondContact O-N 3.29Å; R178-S181 PolarHBondContact O-N 2.85Å; R178-A182 WeakPolarHBondContact O-CB 3.31Å; R178-A182 PolarHBondContact O-N 3.42Å
179L76.3Confident61.3Low83 Ų83106.6 Ų106.644%0.43558%0.575SS.*Hα-helixtrans-66.1-43.6177.9-167.9152.3000111.5H175 Y176 R177 A182 L183H175-L179 WeakPolarHBondContact O-CB 3.39Å; H175-L179 PolarHBondContact O-N 3.3Å; Y176-L179 PolarHBondContact O-N 2.93Å; R177-L179 VanDerWaalsContact C-N 3.33Å; R177-L179 PolarHBondContact O-N 3.33Å; L179-A182 PolarHBondContact O-N 2.62Å; L179-L183 HydrophobicContact CD2-CD1 3.7Å; L179-L183 HydrophobicContact CD2-CG 4.39Å; L179-L183 WeakPolarHBondContact O-CG 3.42Å; L179-L183 PolarHBondContact O-N 3.39Å
180V67.1Low60.8Low66 Ų66108.3 Ų108.340%0.457%0.569SS.*Hα-helixtrans-65.4-40.7174.4173.40000111.9Y176 R177 L183 S184Y176-V180 HydrophobicContact CD1-CG2 4.13Å; Y176-V180 HydrophobicContact CE1-CG2 3.7Å; Y176-V180 HydrophobicContact CE2-CG2 4.21Å; Y176-V180 WeakPolarHBondContact O-CG2 3.39Å; Y176-V180 PolarHBondContact O-N 3.3Å; R177-V180 PolarHBondContact O-N 3.11Å; V180-L183 PolarHBondContact O-N 3.24Å; V180-S184 PolarHBondContact O-N 2.87Å
181S67.6Low59.8Low64 Ų64108.2 Ų108.245%0.44857%0.57SS.*Hα-helixtrans-61.8-47.5174.4-71.90000112.1R177 R178 L183 S184 E185R177-S181 WeakPolarHBondContact O-CB 3.46Å; R177-S181 PolarHBondContact O-N 3.31Å; R177-S181 PolarHBondContact O-OG 3.25Å; R178-S181 PolarHBondContact O-N 2.85Å; S181-L183 VanDerWaalsContact C-N 3.3Å; S181-L183 PolarHBondContact O-N 3.27Å; S181-S184 WeakPolarHBondContact O-CA 3.25Å; S181-S184 PolarHBondContact O-N 3.26Å; S181-S184 PolarHBondContact O-OG 2.85Å; S181-E185 PolarHBondContact O-N 3.43Å
182A61.5Low59Low55 Ų55111.4 Ų111.446%0.45559%0.587SS.*Hα-helixtrans-61-37.8177.800000112.6R178 L179 S184 E185 A186R178-A182 WeakPolarHBondContact O-CB 3.31Å; R178-A182 PolarHBondContact O-N 3.42Å; L179-A182 PolarHBondContact O-N 2.62Å; A182-S184 VanDerWaalsContact C-N 3.29Å; A182-S184 PolarHBondContact O-N 3.46Å; A182-E185 PolarHBondContact O-N 2.91Å; A182-A186 WeakPolarHBondContact O-CB 3.41Å; A182-A186 PolarHBondContact O-N 3.48Å; A182-A186 VanDerWaalsContact O-N 3.14Å
183L57.9Low58.2Low123 Ų123113.5 Ų113.564%0.64459%0.589SS**Hα-helixtrans-68-26.1173.1-71175.5000113.3L179 V180 S181L179-L183 HydrophobicContact CD2-CD1 3.7Å; L179-L183 HydrophobicContact CD2-CG 4.39Å; L179-L183 WeakPolarHBondContact O-CG 3.42Å; L179-L183 PolarHBondContact O-N 3.39Å; V180-L183 PolarHBondContact O-N 3.24Å; S181-L183 VanDerWaalsContact C-N 3.3Å; S181-L183 PolarHBondContact O-N 3.27Å
184S55Low57.1Low71 Ų71116.6 Ų116.650%0.49760%0.595SS.*Hα-helixtrans-80-34174.771.40000113.2V180 S181 A182 S187V180-S184 PolarHBondContact O-N 2.87Å; S181-S184 WeakPolarHBondContact O-CA 3.25Å; S181-S184 PolarHBondContact O-N 3.26Å; S181-S184 PolarHBondContact O-OG 2.85Å; A182-S184 VanDerWaalsContact C-N 3.29Å; A182-S184 PolarHBondContact O-N 3.46Å; S184-S187 WeakPolarHBondContact O-CB 3.47Å; S184-S187 PolarHBondContact O-OG 3.19Å
185E48.3Very low55.9Low148 Ų148120.5 Ų120.569%0.69262%0.615SS**Hα-helixtrans-72.2-28.6175.7-69.6177.616000112.2S181 A182 S187S181-E185 PolarHBondContact O-N 3.43Å; A182-E185 PolarHBondContact O-N 2.91Å; E185-S187 PolarHBondContact O-N 2.91Å
186A49.4Very low54.8Low81 Ų81123.6 Ų123.667%0.66962%0.623SS**THydrogen-bonded Turntrans-68.319.7174.200000115A182A182-A186 WeakPolarHBondContact O-CB 3.41Å; A182-A186 PolarHBondContact O-N 3.48Å; A182-A186 VanDerWaalsContact O-N 3.14Å
187S41.9Very low53.5Low101 Ų101124.3 Ų124.371%0.70663%0.632SS**THydrogen-bonded Turntrans-95.2-8.1179.1580000114.3S184 E185S184-S187 WeakPolarHBondContact O-CB 3.47Å; S184-S187 PolarHBondContact O-OG 3.19Å; E185-S187 PolarHBondContact O-N 2.91Å
188T40.3Very low52.3Low119 Ų119122.5 Ų122.573%0.7363%0.634SS**SBendtrans-90.9121.7167.651.10000111.4E190T188-E190 PolarHBondContact O-N 2.69Å
189F50.9Low50.8Low192 Ų192118.6 Ų118.684%0.84264%0.642SS**  trans-59.6110.7178.9175.4-89000112.8
190E43.9Very low49.1Very low162 Ų162121.7 Ų121.776%0.75766%0.658SS**  trans172165.5143.1-94-7744.400111.3T188T188-E190 PolarHBondContact O-N 2.69Å
191D39Very low48Very low71 Ų71123.2 Ų123.238%0.3867%0.669SS.*  trans64.392.1171.6-170.713.3000119.2Q193 R194D191-Q193 VanDerWaalsContact C-N 3.33Å; D191-Q193 PolarHBondContact O-N 2.96Å; D191-Q193 VanDerWaalsContact OD1-CB 3.27Å; D191-Q193 WeakPolarHBondContact OD1-CB 3.38Å; D191-Q193 PolarHBondContact OD1-N 3.24Å; D191-R194 WeakPolarHBondContact OD2-CD 3.39Å; D191-R194 WeakPolarHBondContact OD2-CG 3.42Å; D191-R194 IonicContact OD2-NH1 3.53Å
192P49.3Very low46.6Very low108 Ų108125.6 Ų125.670%0.70169%0.686SS**G310 helixtrans-70.4-11.7171-19.733.4000116.6R194P192-R194 PolarHBondContact O-N 3.15Å
193Q44.8Very low45.8Very low140 Ų140131.2 Ų131.265%0.65470%0.703SS**G310 helixtrans-78.2-19.5-167.3-67.3-82.8-54.600114D191 L195D191-Q193 VanDerWaalsContact C-N 3.33Å; D191-Q193 PolarHBondContact O-N 2.96Å; D191-Q193 VanDerWaalsContact OD1-CB 3.27Å; D191-Q193 WeakPolarHBondContact OD1-CB 3.38Å; D191-Q193 PolarHBondContact OD1-N 3.24Å; Q193-L195 PolarHBondContact O-N 2.92Å
194R44.1Very low45.3Very low193 Ų193128.5 Ų128.573%0.72870%0.704SS**G310 helixtrans-73.7-24.3-169.1-47.5-166.176.886.8-2.7114.3D191 P192 Y196D191-R194 WeakPolarHBondContact OD2-CD 3.39Å; D191-R194 WeakPolarHBondContact OD2-CG 3.42Å; D191-R194 IonicContact OD2-NH1 3.53Å; P192-R194 PolarHBondContact O-N 3.15Å; R194-Y196 VanDerWaalsContact C-N 3.28Å; R194-Y196 PolarHBondContact O-N 3.4Å
195L44.8Very low45.2Very low145 Ų145133.8 Ų133.876%0.75971%0.714SS**G310 helixtrans-70.3-21.2-175.2-116164.9000113.8Q193 H197Q193-L195 PolarHBondContact O-N 2.92Å; L195-H197 VanDerWaalsContact C-N 3.31Å; L195-H197 PolarHBondContact O-N 2.96Å
196Y49.7Very low45.1Very low189 Ų189130.8 Ų130.874%0.74172%0.724SS**G310 helixtrans-74.4-14.2-176.9-64.4-79.4000114.7R194R194-Y196 VanDerWaalsContact C-N 3.28Å; R194-Y196 PolarHBondContact O-N 3.4Å
197H44.2Very low45.5Very low175 Ų175136.4 Ų136.481%0.8173%0.733SS**G310 helixtrans-92.1-2.3-174.1-80.479.9000115.1L195L195-H197 VanDerWaalsContact C-N 3.31Å; L195-H197 PolarHBondContact O-N 2.96Å
198L49.3Very low46Very low133 Ų133135.2 Ų135.270%0.69672%0.718SS**SBendtrans-91.93.4-173.3-100.7166.9000115.9L200L198-L200 PolarHBondContact O-N 2.97Å
199G42.4Very low47.5Very low72 Ų72133.5 Ų133.574%0.74271%0.709SS**  trans62.315.5161.600000117.4
200L40.5Very low48.1Very low148 Ų148129.1 Ų129.178%0.77570%0.7SS**  trans-68125-179.7-72.2170.8000111L198 S202L198-L200 PolarHBondContact O-N 2.97Å; L200-S202 PolarHBondContact O-N 3.19Å; L200-S202 VanDerWaalsContact O-N 3.08Å
201P42.7Very low49.2Very low97 Ų97124.2 Ų124.263%0.6369%0.687SS**  trans-70.9106.5177.228.3-33.2000110.1H203P201-H203 VanDerWaalsContact C-N 3.31Å; P201-H203 PolarHBondContact O-CD2 3.19Å; P201-H203 PolarHBondContact O-N 3.05Å
202S39.3Very low50.3Low114 Ų114125.6 Ų125.680%0.79769%0.691SS**  trans-72.884.3175.6-168.20000110.8L200 G204L200-S202 PolarHBondContact O-N 3.19Å; L200-S202 VanDerWaalsContact O-N 3.08Å; S202-G204 PolarHBondContact O-N 3.02Å
203H44.8Very low51.5Low174 Ų174122.6 Ų122.681%0.80668%0.676SS**  trans-67.4111.9175.9-80.1-93.3000111P201P201-H203 VanDerWaalsContact C-N 3.31Å; P201-H203 PolarHBondContact O-CD2 3.19Å; P201-H203 PolarHBondContact O-N 3.05Å
204G47.5Very low53.2Low65 Ų65121.8 Ų121.867%0.6767%0.672SS**SBendtrans145.1-35.1156.300000117.2S202S202-G204 PolarHBondContact O-N 3.02Å
205Y52.2Low54.5Low182 Ų182118.6 Ų118.671%0.71467%0.667SS**  trans-121.140.9-164.7-67.8-78.2000114.9F207Y205-F207 PolarHBondContact O-N 2.78Å; Y205-F207 VanDerWaalsContact O-N 3.15Å
206G45.8Very low56.1Low86 Ų86116.2 Ų116.289%0.88765%0.651SS**THydrogen-bonded Turntrans-79.426178.600000116.3
207F57.3Low57.8Low198 Ų198110 Ų11087%0.86864%0.638SS**THydrogen-bonded Turntrans-137.416.1-174.4-160.8-105.4000115.1Y205Y205-F207 PolarHBondContact O-N 2.78Å; Y205-F207 VanDerWaalsContact O-N 3.15Å
208L52.9Low59.9Low76 Ų76110.2 Ų110.240%0.39863%0.632SS.*SBendtrans-126.9134172.8-60.8175.7000109.5Q212L208-Q212 HydrophobicContact CB-CB 4.37Å; L208-Q212 HydrophobicContact CD2-CG 4.4Å
209P71.4Confident61.7Low83 Ų83109.9 Ų109.954%0.53963%0.627SS.*  trans-57.2150.2172.2-25.235.2000111.6A211 Q212 A213P209-A211 PolarHBondContact O-N 2.94Å; P209-Q212 WeakPolarHBondContact O-CA 3.48Å; P209-Q212 WeakPolarHBondContact O-CB 3.25Å; P209-Q212 PolarHBondContact O-N 3.49Å; P209-A213 PolarHBondContact O-N 3.4Å
210P64.3Low63.8Low100 Ų100110.8 Ų110.865%0.64961%0.612SS**Hα-helixtrans-50.9-47-171.2-3136.4000114.9Q212 A213 E214P210-Q212 PolarHBondContact O-N 3.14Å; P210-Q212 VanDerWaalsContact O-N 3.14Å; P210-A213 WeakPolarHBondContact O-CB 3.44Å; P210-A213 PolarHBondContact O-N 2.84Å; P210-E214 WeakPolarHBondContact O-CG 3.42Å; P210-E214 PolarHBondContact O-N 3.11Å
211A66.8Low66.1Low59 Ų59106.6 Ų106.649%0.48859%0.588SS.*Hα-helixtrans-58.7-29177.700000113.8P209 M215P209-A211 PolarHBondContact O-N 2.94Å; A211-M215 WeakPolarHBondContact O-CB 3.36Å; A211-M215 WeakPolarHBondContact O-CE 3.26Å; A211-M215 WeakPolarHBondContact O-CG 3.5Å; A211-M215 PolarHBondContact O-N 2.81Å
212Q63Low68.4Low100 Ų100107.5 Ų107.547%0.46759%0.587SS.*Hα-helixtrans-80.3-33.6177.4-167.1173.115.900112L208 P209 P210 F216L208-Q212 HydrophobicContact CB-CB 4.37Å; L208-Q212 HydrophobicContact CD2-CG 4.4Å; P209-Q212 WeakPolarHBondContact O-CA 3.48Å; P209-Q212 WeakPolarHBondContact O-CB 3.25Å; P209-Q212 PolarHBondContact O-N 3.49Å; P210-Q212 PolarHBondContact O-N 3.14Å; P210-Q212 VanDerWaalsContact O-N 3.14Å; Q212-F216 WeakPolarHBondContact O-CB 3.44Å; Q212-F216 PolarHBondContact O-N 2.93Å
213A74.8Confident70.8Confident46 Ų46105.9 Ų105.938%0.3857%0.57SS.*Hα-helixtrans-66.8-41169.600000111.5P209 P210 F216 A217P209-A213 PolarHBondContact O-N 3.4Å; P210-A213 WeakPolarHBondContact O-CB 3.44Å; P210-A213 PolarHBondContact O-N 2.84Å; A213-F216 PolarHBondContact O-N 3.48Å; A213-A217 WeakPolarHBondContact O-CB 3.39Å; A213-A217 PolarHBondContact O-N 2.81Å
214E78.5Confident72.8Confident123 Ų123104.1 Ų104.158%0.57556%0.556SS**Hα-helixtrans-62.6-46.7174.8-72.9169.1-156.600112.2P210 F216 A217 W218P210-E214 WeakPolarHBondContact O-CG 3.42Å; P210-E214 PolarHBondContact O-N 3.11Å; E214-F216 VanDerWaalsContact C-N 3.33Å; E214-F216 PolarHBondContact O-N 3.38Å; E214-A217 PolarHBondContact O-N 2.99Å; E214-W218 PolarHBondContact O-N 3.42Å
215M71.8Confident74.8Confident126 Ų126106 Ų10662%0.62155%0.545SS*.Hα-helixtrans-61.7-39.3174.9-77.5-173.9-75.600112.4A211 W218 Q219A211-M215 WeakPolarHBondContact O-CB 3.36Å; A211-M215 WeakPolarHBondContact O-CE 3.26Å; A211-M215 WeakPolarHBondContact O-CG 3.5Å; A211-M215 PolarHBondContact O-N 2.81Å; M215-W218 PolarHBondContact O-N 3.27Å; M215-Q219 WeakPolarHBondContact O-CB 3.37Å; M215-Q219 PolarHBondContact O-N 3.48Å
216F79.9Confident76.3Confident95 Ų95102.8 Ų102.842%0.41754%0.537SS..Hα-helixtrans-67.1-40.9175.4-174.7-101.8000112.2Q212 A213 E214 Q219 Q220Q212-F216 WeakPolarHBondContact O-CB 3.44Å; Q212-F216 PolarHBondContact O-N 2.93Å; A213-F216 PolarHBondContact O-N 3.48Å; E214-F216 VanDerWaalsContact C-N 3.33Å; E214-F216 PolarHBondContact O-N 3.38Å; F216-Q219 WeakPolarHBondContact O-CB 3.46Å; F216-Q219 PolarHBondContact O-N 2.66Å; F216-Q220 HydrophobicContact CD1-CG 4.21Å; F216-Q220 HydrophobicContact CE1-CG 3.87Å; F216-Q220 HydrophobicContact CZ-CG 4.14Å; F216-Q220 WeakPolarHBondContact O-CG 3.27Å; F216-Q220 PolarHBondContact O-N 3.45Å
217A84.8Confident77.9Confident58 Ų58101.6 Ų101.648%0.47951%0.51SS..Hα-helixtrans-62.2-42.7174.400000111.8A213 E214 Q219 Q220 E221A213-A217 WeakPolarHBondContact O-CB 3.39Å; A213-A217 PolarHBondContact O-N 2.81Å; E214-A217 PolarHBondContact O-N 2.99Å; A217-Q219 PolarHBondContact O-N 2.86Å; A217-Q220 PolarHBondContact O-N 2.81Å; A217-E221 WeakPolarHBondContact O-CB 3.49Å; A217-E221 PolarHBondContact O-N 3.36Å
218W87.3Confident79.1Confident180 Ų18095.7 Ų95.768%0.68249%0.487SS*.Hα-helixtrans-61.2-40.6172.2-95.9102.2000112.9E214 M215 E221 L222E214-W218 PolarHBondContact O-N 3.42Å; M215-W218 PolarHBondContact O-N 3.27Å; W218-E221 PolarHBondContact O-N 3.26Å; W218-L222 VanDerWaalsContact O-CB 3.28Å; W218-L222 WeakPolarHBondContact O-CB 3.37Å; W218-L222 PolarHBondContact O-N 3.32Å
219Q87.9Confident80Confident126 Ų12694.7 Ų94.759%0.58949%0.49SS*.Hα-helixtrans-63.7-42.1175.5-175.6-178.4-42.100111.7M215 F216 A217 L223M215-Q219 WeakPolarHBondContact O-CB 3.37Å; M215-Q219 PolarHBondContact O-N 3.48Å; F216-Q219 WeakPolarHBondContact O-CB 3.46Å; F216-Q219 PolarHBondContact O-N 2.66Å; A217-Q219 PolarHBondContact O-N 2.86Å; Q219-L223 WeakPolarHBondContact O-CB 3.47Å; Q219-L223 PolarHBondContact O-N 3.38Å
220Q86.7Confident80Confident90 Ų9098.7 Ų98.742%0.42149%0.494SS..Hα-helixtrans-65.1-43.8175.2-68.3-62.2-26.700111.8F216 A217 L223 R224F216-Q220 HydrophobicContact CD1-CG 4.21Å; F216-Q220 HydrophobicContact CE1-CG 3.87Å; F216-Q220 HydrophobicContact CZ-CG 4.14Å; F216-Q220 WeakPolarHBondContact O-CG 3.27Å; F216-Q220 PolarHBondContact O-N 3.45Å; A217-Q220 PolarHBondContact O-N 2.81Å; Q220-L223 PolarHBondContact O-N 3.07Å; Q220-R224 WeakPolarHBondContact O-CB 3.15Å; Q220-R224 PolarHBondContact O-N 2.93Å
221E87.9Confident80.5Confident60 Ų6099.9 Ų99.928%0.2849%0.494SS..Hα-helixtrans-67.6-38178.7179.158.8-170.200112.3A217 W218 R224 K225A217-E221 WeakPolarHBondContact O-CB 3.49Å; A217-E221 PolarHBondContact O-N 3.36Å; W218-E221 PolarHBondContact O-N 3.26Å; E221-R224 PolarHBondContact O-N 3.43Å; E221-R224 IonicContact OE1-CZ 3.62Å; E221-R224 IonicContact OE1-NE 3.71Å; E221-R224 IonicContact OE1-NH2 2.72Å; E221-R224 PolarHBondContact OE1-NH2 2.88Å; E221-R224 IonicContact OE2-CZ 3.4Å; E221-R224 IonicContact OE2-NE 2.72Å; E221-R224 PolarHBondContact OE2-NE 3.12Å; E221-R224 IonicContact OE2-NH2 3.23Å; E221-R224 PolarHBondContact OE2-NH2 3.28Å; E221-K225 HydrophobicContact CG-CD 4.46Å; E221-K225 WeakPolarHBondContact O-CB 3.49Å; E221-K225 WeakPolarHBondContact O-CG 3.47Å; E221-K225 PolarHBondContact O-N 3.49Å; E221-K225 WeakPolarHBondContact OE1-CE 3.31Å; E221-K225 IonicContact OE1-NZ 3.13Å
222L91.8Very high80.8Confident116 Ų116101.8 Ų101.861%0.60749%0.493SS*.Hα-helixtrans-64.7-41.4173.9-175.462.4000111.4W218 K225 Q226W218-L222 VanDerWaalsContact O-CB 3.28Å; W218-L222 WeakPolarHBondContact O-CB 3.37Å; W218-L222 PolarHBondContact O-N 3.32Å; L222-K225 PolarHBondContact O-N 3.22Å; L222-Q226 WeakPolarHBondContact O-CB 2.97Å; L222-Q226 PolarHBondContact O-N 2.91Å
223L89.3Confident81.2Confident81 Ų81103 Ų10342%0.42450%0.502SS..Hα-helixtrans-65.7-38174.3-175.461.3000111.8Q219 Q220 Q226 N227Q219-L223 WeakPolarHBondContact O-CB 3.47Å; Q219-L223 PolarHBondContact O-N 3.38Å; Q220-L223 PolarHBondContact O-N 3.07Å; L223-Q226 PolarHBondContact O-N 3.39Å; L223-N227 PolarHBondContact O-N 2.87Å; L223-N227 PolarHBondContact O-ND2 3.15Å
224R88.1Confident81.1Confident136 Ų136103.9 Ų103.951%0.51350%0.504SS..Hα-helixtrans-63.7-46.7174.4-166.1-173.370.483.72.9111.2Q220 E221 N227 L228Q220-R224 WeakPolarHBondContact O-CB 3.15Å; Q220-R224 PolarHBondContact O-N 2.93Å; E221-R224 PolarHBondContact O-N 3.43Å; E221-R224 IonicContact OE1-CZ 3.62Å; E221-R224 IonicContact OE1-NE 3.71Å; E221-R224 IonicContact OE1-NH2 2.72Å; E221-R224 PolarHBondContact OE1-NH2 2.88Å; E221-R224 IonicContact OE2-CZ 3.4Å; E221-R224 IonicContact OE2-NE 2.72Å; E221-R224 PolarHBondContact OE2-NE 3.12Å; E221-R224 IonicContact OE2-NH2 3.23Å; E221-R224 PolarHBondContact OE2-NH2 3.28Å; R224-N227 PolarHBondContact O-N 2.8Å; R224-L228 WeakPolarHBondContact O-CB 3.37Å; R224-L228 PolarHBondContact O-N 2.97Å
225K87.7Confident80.9Confident104 Ų104100.5 Ų100.545%0.45250%0.497SS..Hα-helixtrans-61.6-43.4175.5-73.6178.3-179.3177.70112.3E221 L222 N227 L228 A229E221-K225 HydrophobicContact CG-CD 4.46Å; E221-K225 WeakPolarHBondContact O-CB 3.49Å; E221-K225 WeakPolarHBondContact O-CG 3.47Å; E221-K225 PolarHBondContact O-N 3.49Å; E221-K225 WeakPolarHBondContact OE1-CE 3.31Å; E221-K225 IonicContact OE1-NZ 3.13Å; L222-K225 PolarHBondContact O-N 3.22Å; K225-N227 VanDerWaalsContact C-N 3.35Å; K225-N227 PolarHBondContact O-N 3.15Å; K225-L228 PolarHBondContact O-N 2.94Å; K225-A229 PolarHBondContact O-N 3.31Å
226Q83.9Confident80.9Confident115 Ų11599.4 Ų99.454%0.53749%0.494SS..Hα-helixtrans-61.3-42.7176.5-170.5-168.499.800111.8L222 L223 R230L222-Q226 WeakPolarHBondContact O-CB 2.97Å; L222-Q226 PolarHBondContact O-N 2.91Å; L223-Q226 PolarHBondContact O-N 3.39Å; Q226-R230 WeakPolarHBondContact O-CG 3.49Å; Q226-R230 PolarHBondContact O-N 3.5Å
227N80Confident80.7Confident62 Ų62100.1 Ų100.133%0.33250%0.501SS..Hα-helixtrans-72.1-32.9177.7-75.4-67.1000112.8L223 R224 K225 R230 L231L223-N227 PolarHBondContact O-N 2.87Å; L223-N227 PolarHBondContact O-ND2 3.15Å; R224-N227 PolarHBondContact O-N 2.8Å; K225-N227 VanDerWaalsContact C-N 3.35Å; K225-N227 PolarHBondContact O-N 3.15Å; N227-R230 PolarHBondContact O-N 2.92Å; N227-L231 WeakPolarHBondContact O-CG 3.37Å; N227-L231 PolarHBondContact O-N 3.07Å
228L82.3Confident80.3Confident74 Ų74103.3 Ų103.339%0.38751%0.51SS..Hα-helixtrans-63.3-49173.4-178.560.2000111.6R224 K225 R230 L231 E232R224-L228 WeakPolarHBondContact O-CB 3.37Å; R224-L228 PolarHBondContact O-N 2.97Å; K225-L228 PolarHBondContact O-N 2.94Å; L228-R230 PolarHBondContact O-N 3.04Å; L228-L231 CarbonylContact O-C 3.59Å; L228-L231 WeakPolarHBondContact O-CA 3.37Å; L228-L231 WeakPolarHBondContact O-CB 3.44Å; L228-L231 PolarHBondContact O-N 3.37Å; L228-E232 HydrophobicContact CD1-CG 4.39Å; L228-E232 HydrophobicContact CG-CG 4.4Å; L228-E232 WeakPolarHBondContact O-CG 3.22Å; L228-E232 PolarHBondContact O-N 2.98Å
229A72.3Confident79.9Confident54 Ų54103.2 Ų103.245%0.44651%0.509SS..Hα-helixtrans-59.8-30177.300000113.2K225 L231 E232K225-A229 PolarHBondContact O-N 3.31Å; A229-L231 VanDerWaalsContact C-N 3.28Å; A229-L231 PolarHBondContact O-N 3.29Å; A229-E232 WeakPolarHBondContact CA-OE2 3.48Å
230R72.1Confident79.4Confident167 Ų167103.2 Ų103.263%0.6351%0.509SS*.Hα-helixtrans-73-15.2172.9-71.5178.869.3-139-0.5114.2Q226 N227 L228 P234Q226-R230 WeakPolarHBondContact O-CG 3.49Å; Q226-R230 PolarHBondContact O-N 3.5Å; N227-R230 PolarHBondContact O-N 2.92Å; L228-R230 PolarHBondContact O-N 3.04Å; R230-P234 VanDerWaalsContact O-CD 3.24Å; R230-P234 WeakPolarHBondContact O-CD 3.48Å; R230-P234 WeakPolarHBondContact O-CG 3.37Å
231L73.3Confident79Confident125 Ų125106 Ų10665%0.65452%0.52SS*.Hα-helixtrans-102.1-23.1176.9-65.9171.3000112.8N227 L228 A229 P234 A235N227-L231 WeakPolarHBondContact O-CG 3.37Å; N227-L231 PolarHBondContact O-N 3.07Å; L228-L231 CarbonylContact O-C 3.59Å; L228-L231 WeakPolarHBondContact O-CA 3.37Å; L228-L231 WeakPolarHBondContact O-CB 3.44Å; L228-L231 PolarHBondContact O-N 3.37Å; A229-L231 VanDerWaalsContact C-N 3.28Å; A229-L231 PolarHBondContact O-N 3.29Å; L231-P234 WeakPolarHBondContact O-CD 3.13Å; L231-A235 PolarHBondContact O-N 2.69Å
232E73Confident78.5Confident99 Ų99109.7 Ų109.746%0.46354%0.537SS..Hα-helixtrans-68.9-47.8174-71.4168.5159.100111.8L228 A229 A235 D236L228-E232 HydrophobicContact CD1-CG 4.39Å; L228-E232 HydrophobicContact CG-CG 4.4Å; L228-E232 WeakPolarHBondContact O-CG 3.22Å; L228-E232 PolarHBondContact O-N 2.98Å; A229-E232 WeakPolarHBondContact CA-OE2 3.48Å; E232-A235 WeakPolarHBondContact O-CA 3.28Å; E232-A235 WeakPolarHBondContact O-CB 3.38Å; E232-A235 PolarHBondContact O-N 3.46Å; E232-D236 PolarHBondContact O-N 3.13Å
233L72.6Confident77.5Confident126 Ų126110.4 Ų110.466%0.6654%0.541SS*.Hα-helixtrans-57.8-41.9-179-167.881.7000113.9L237L233-L237 PolarHBondContact O-N 3.33Å
234P73.1Confident76.4Confident65 Ų65112.8 Ų112.842%0.42255%0.55SS.*Hα-helixtrans-66.6-32.2170.6-22.834.9000114.5R230 L231 L238R230-P234 VanDerWaalsContact O-CD 3.24Å; R230-P234 WeakPolarHBondContact O-CD 3.48Å; R230-P234 WeakPolarHBondContact O-CG 3.37Å; L231-P234 WeakPolarHBondContact O-CD 3.13Å; P234-L238 WeakPolarHBondContact O-CG 3.33Å; P234-L238 PolarHBondContact O-N 3.13Å
235A72.6Confident75.3Confident52 Ų52110.9 Ų110.943%0.4356%0.557SS.*Hα-helixtrans-70.7-42.7179.500000111.6L231 E232 L238 R239L231-A235 PolarHBondContact O-N 2.69Å; E232-A235 WeakPolarHBondContact O-CA 3.28Å; E232-A235 WeakPolarHBondContact O-CB 3.38Å; E232-A235 PolarHBondContact O-N 3.46Å; A235-L238 PolarHBondContact O-N 2.85Å; A235-R239 PolarHBondContact O-N 2.8Å
236D73.3Confident74.2Confident102 Ų102109.5 Ų109.555%0.54557%0.565SS.*Hα-helixtrans-64.2-39.3173.6-78.7-35.1000111.9E232 L238 R239 Q240E232-D236 PolarHBondContact O-N 3.13Å; D236-L238 VanDerWaalsContact C-N 3.34Å; D236-L238 PolarHBondContact O-N 3.12Å; D236-R239 PolarHBondContact O-N 3.1Å; D236-Q240 WeakPolarHBondContact O-CB 3.29Å; D236-Q240 PolarHBondContact O-N 3.21Å
237L75.2Confident73.1Confident110 Ų110113.4 Ų113.458%0.57658%0.575SS**Hα-helixtrans-60.3-40.3172.8-98.8164.3000112.7L233 K241L233-L237 PolarHBondContact O-N 3.33Å; L237-K241 VanDerWaalsContact O-CB 3.29Å; L237-K241 WeakPolarHBondContact O-CB 3.37Å; L237-K241 PolarHBondContact O-N 3.14Å
238L75.8Confident71.8Confident125 Ų125116.2 Ų116.265%0.65460%0.597SS**Hα-helixtrans-66.2-43.3173.7-76.3167.2000111.6P234 A235 D236 K241 E242P234-L238 WeakPolarHBondContact O-CG 3.33Å; P234-L238 PolarHBondContact O-N 3.13Å; A235-L238 PolarHBondContact O-N 2.85Å; D236-L238 VanDerWaalsContact C-N 3.34Å; D236-L238 PolarHBondContact O-N 3.12Å; L238-K241 PolarHBondContact O-N 2.63Å; L238-E242 PolarHBondContact O-N 3.11Å
239R78.3Confident70.4Confident179 Ų179122 Ų12268%0.67562%0.622SS**Hα-helixtrans-67.5-37.9179.7-145.3-173.990.1160.66.9112.5A235 D236 E242 L243A235-R239 PolarHBondContact O-N 2.8Å; D236-R239 PolarHBondContact O-N 3.1Å; R239-E242 PolarHBondContact O-N 3.19Å; R239-L243 WeakPolarHBondContact O-CB 3.49Å; R239-L243 PolarHBondContact O-N 3.09Å
240Q77.9Confident69.2Low126 Ų126127.1 Ų127.159%0.58964%0.641SS**Hα-helixtrans-65.7-42.5173.1-178.2176.6-32.600110.9D236 E242 L243 E244D236-Q240 WeakPolarHBondContact O-CB 3.29Å; D236-Q240 PolarHBondContact O-N 3.21Å; Q240-E242 PolarHBondContact O-N 3.3Å; Q240-L243 PolarHBondContact O-N 2.99Å; Q240-E244 WeakPolarHBondContact O-CB 3.25Å; Q240-E244 PolarHBondContact O-N 3.37Å
241K79.6Confident67.8Low149 Ų149127.8 Ų127.865%0.64866%0.656SS**Hα-helixtrans-64.7-37.3176.6-175.8173.2-179.3175.60112.7L237 L238 E244 S245L237-K241 VanDerWaalsContact O-CB 3.29Å; L237-K241 WeakPolarHBondContact O-CB 3.37Å; L237-K241 PolarHBondContact O-N 3.14Å; L238-K241 PolarHBondContact O-N 2.63Å; K241-E244 PolarHBondContact O-N 3.02Å; K241-S245 WeakPolarHBondContact O-CB 3.28Å; K241-S245 PolarHBondContact O-N 3.22Å; K241-S245 PolarHBondContact O-OG 3.47Å
242E76.1Confident65.9Low137 Ų137126.3 Ų126.364%0.6466%0.662SS**Hα-helixtrans-62.3-49.5171.9-170.3-178.8-159.700110.6L238 R239 Q240 E244 S245 A246L238-E242 PolarHBondContact O-N 3.11Å; R239-E242 PolarHBondContact O-N 3.19Å; Q240-E242 PolarHBondContact O-N 3.3Å; E242-E244 VanDerWaalsContact C-N 3.26Å; E242-E244 PolarHBondContact O-N 3.47Å; E242-S245 WeakPolarHBondContact CA-OG 3.39Å; E242-S245 PolarHBondContact O-N 3.48Å; E242-S245 VanDerWaalsContact O-N 3.1Å; E242-S245 PolarHBondContact O-OG 2.69Å; E242-A246 PolarHBondContact O-N 3.42Å
243L70.6Confident64.6Low131 Ų131127.8 Ų127.869%0.68668%0.68SS**Hα-helixtrans-59.5-35.4178.5-155.591.5000113R239 Q240R239-L243 WeakPolarHBondContact O-CB 3.49Å; R239-L243 PolarHBondContact O-N 3.09Å; Q240-L243 PolarHBondContact O-N 2.99Å
244E67.4Low63Low131 Ų131130.9 Ų130.961%0.61269%0.691SS**Hα-helixtrans-70.7-43.7174.6-167.5175.3112.800111.5Q240 K241 E242 A246 R247Q240-E244 WeakPolarHBondContact O-CB 3.25Å; Q240-E244 PolarHBondContact O-N 3.37Å; K241-E244 PolarHBondContact O-N 3.02Å; E242-E244 VanDerWaalsContact C-N 3.26Å; E242-E244 PolarHBondContact O-N 3.47Å; E244-A246 PolarHBondContact O-N 2.97Å; E244-R247 WeakPolarHBondContact O-CB 3.4Å; E244-R247 PolarHBondContact O-N 3.27Å
245S64.3Low60.9Low95 Ų95134.6 Ų134.666%0.66471%0.713SS**Hα-helixtrans-65.8-21.8176.375.30000114K241 E242 R247K241-S245 WeakPolarHBondContact O-CB 3.28Å; K241-S245 PolarHBondContact O-N 3.22Å; K241-S245 PolarHBondContact O-OG 3.47Å; E242-S245 WeakPolarHBondContact CA-OG 3.39Å; E242-S245 PolarHBondContact O-N 3.48Å; E242-S245 VanDerWaalsContact O-N 3.1Å; E242-S245 PolarHBondContact O-OG 2.69Å; S245-R247 VanDerWaalsContact C-N 3.28Å; S245-R247 PolarHBondContact O-N 2.86Å
246A65.6Low59.3Low75 Ų75136.9 Ų136.962%0.6273%0.732SS**THydrogen-bonded Turntrans-80-1.5176.700000114E242 E244 P248E242-A246 PolarHBondContact O-N 3.42Å; E244-A246 PolarHBondContact O-N 2.97Å; A246-P248 WeakPolarHBondContact O-CD 3.4Å
247R60.6Low57.4Low197 Ų197140.1 Ų140.174%0.74375%0.748SS**SBendtrans-86.4114.9177.1-59.1179.378.31683.9110.1E244 S245E244-R247 WeakPolarHBondContact O-CB 3.4Å; E244-R247 PolarHBondContact O-N 3.27Å; S245-R247 VanDerWaalsContact C-N 3.28Å; S245-R247 PolarHBondContact O-N 2.86Å
248P52.9Low55.5Low122 Ų122145.7 Ų145.779%0.79276%0.762SS**  trans-63.7143.4177-21.434.4000111.7A246 L250A246-P248 WeakPolarHBondContact O-CD 3.4Å; P248-L250 PolarHBondContact O-N 3.2Å
249Q52.2Low53.9Low196 Ų196145.2 Ų145.292%0.91677%0.766SS**  trans-69.6120.1179.5-66.4171.5-1.300110.8
250L46.2Very low51.7Low161 Ų161143.3 Ų143.384%0.84377%0.769SS**  trans-131.2151.5160.8-78.5176.5000108.9P248P248-L250 PolarHBondContact O-N 3.2Å
251L42.3Very low49.6Very low180 Ų180144.4 Ų144.494%0.94278%0.779SS**  trans76.395179.5-60.8153.4000115.7
252A35Very low47.1Very low94 Ų94140.6 Ų140.678%0.77778%0.783SS**  trans-120.8156152.700000107
253P45.7Very low45Very low131 Ų131139.3 Ų139.385%0.85180%0.795SS**  -97170.6-128.4-8.827.8000117.2
254E37.5Very low43.5Very low191 Ų191142.3 Ų142.389%0.89381%0.806SS**  trans-75.1156.6-179.2-55-163.2133.500114.7
255T30.3Very low41.9Very low143 Ų143144 Ų14488%0.87781%0.813SS**  trans-125.3137.9159.945.20000110
256A39.4Very low40.5Very low100 Ų100145.8 Ų145.883%0.82682%0.815SS**  trans-82.3160.5-165.500000114.6
257L32.6Very low39.2Very low170 Ų170149.7 Ų149.789%0.8982%0.82SS**  trans-157.4169.8142.5-105.5171.2000111.3
258R35.7Very low38.1Very low227 Ų227149.9 Ų149.986%0.85782%0.821SS**  trans-125.7178.8175.6-53.4-114.285.51667.8107.8
259P42.6Very low37.4Very low115 Ų115154.4 Ų154.475%0.74782%0.822SS**  cis-138.1173-0.844.3-27.8000116.8
260N30.5Very low36.9Very low138 Ų138149.2 Ų149.274%0.73882%0.822SS**  trans69.1144.8144.3-138.446.8000124.9
261D33.7Very low36.3Very low149 Ų149146.3 Ų146.380%0.79782%0.821SS**  trans35.8132.8158-86.4-54.1000123
262G28.2Very low36.4Very low70 Ų70145.3 Ų145.372%0.72282%0.816SS**  trans161.374.6163.300000118.9
263A30.9Very low36.6Very low110 Ų110148 Ų14891%0.90982%0.816SS**  trans59.6170.7153.600000120.7
264E40.7Very low36.6Very low194 Ų194147.3 Ų147.391%0.90781%0.809SS**  trans-80.5148.5-176.4-54.2174.990.700113
265E32.4Very low36.4Very low165 Ų165146.2 Ų146.277%0.77181%0.809SS**  trans-160.9153.6136.8-172.848.8-158.600112.7
266L36Very low36.5Very low134 Ų134145.6 Ų145.670%0.70280%0.8SS**  trans-33.3126.3-172-99.663.5000121.1
267Q38.2Very low36.4Very low156 Ų156149.5 Ų149.573%0.72980%0.801SS**  41.7104.6107.5-178.875.8-75.800118.5
268R36.1Very low36.3Very low202 Ų202144.9 Ų144.976%0.76279%0.794SS**  -168.7123.9127.5-107.7159.8-162.2-107.2-0.8115.9
269R38.4Very low36.1Very low216 Ų216139.7 Ų139.782%0.81580%0.8SS**  trans57.1105.2144.7-67177.4174.1-175.9-4.9119.4
270G41.6Very low35.9Very low88 Ų88138.4 Ų138.491%0.90780%0.799SS**  93.757.9122.600000118
271A34.6Very low36.4Very low99 Ų99137.9 Ų137.982%0.81880%0.803SS**  trans-105.2141.7161.700000110.7
272L44.5Very low36.5Very low159 Ų159138.9 Ų138.983%0.83281%0.807SS**  trans-114109.2-178.6-178.7149.1000109.5
273L39.8Very low36.7Very low151 Ų151143.9 Ų143.979%0.79182%0.817SS**  trans-142.2130.3172.5-64.7174.1000106.5
274V44.1Very low36.6Very low116 Ų116143 Ų14370%0.70381%0.809SS**  68.181.956.2-173.40000112.1
275L34.9Very low36.3Very low169 Ų169141.7 Ų141.789%0.88581%0.808SS**  trans-126.2124.3154.5-67.2170.4000104.9
276N31Very low36.7Very low130 Ų130139.5 Ų139.570%0.69581%0.808SS**  cis75.3144.535-144.2-23.4000112.8
277H38.8Very low37.1Very low182 Ų182138.4 Ų138.484%0.84381%0.809SS**  trans-93.6154.8-140.9-44.9-83.7000115.6
278G30.4Very low36.9Very low73 Ų73139.9 Ų139.975%0.75382%0.815SS**  trans153.3135.4147.900000118.9
279A31.4Very low36.6Very low117 Ų117133.5 Ų133.597%0.96781%0.813SS**  trans65.7167.5153.800000119.9
280A37.2Very low37.1Very low89 Ų89129.3 Ų129.374%0.73681%0.814SS**  trans-128.9161.5-168.600000112.2
281P41.9Very low37.8Very low127 Ų127131.1 Ų131.183%0.82581%0.81SS**  trans-88.8142.6170.334.3-32.1000112.6
282L35.9Very low37.6Very low169 Ų169130.1 Ų130.189%0.88581%0.808SS**  trans-106.6127.9169.7-72.1172.1000110.7
283L32.5Very low37Very low175 Ų175128.6 Ų128.692%0.91681%0.811SS**  trans-156.9152.1161.1-65.9177.8000107.7
284A29Very low36.5Very low91 Ų91124.9 Ų124.975%0.75281%0.81SS**  cis-168143.5-32.400000106.5
285L34.7Very low36.7Very low168 Ų168125.2 Ų125.288%0.8881%0.814SS**  trans-99.2151.9175.7-75.8171.1000111.4
286P39.2Very low37.4Very low118 Ų118121.9 Ų121.977%0.76680%0.802SS**  -147.5-159.3107.740.8-21.3000113.1
287P45.6Very low37.7Very low111 Ų111121.9 Ų121.972%0.72181%0.807SS**  -136.4158.1-85.542.4-25.3000118.5
288Q32.5Very low38.3Very low187 Ų187118.7 Ų118.787%0.87480%0.803SS**  trans57.6105.2140.4-63.8-75.817.300124.6
289G30.3Very low38.2Very low69 Ų69120.7 Ų120.771%0.71181%0.805SS**  trans63.4-174.8133.200000122
290P48.5Very low38.2Very low128 Ų128125.2 Ų125.283%0.83180%0.797SS**  cis-128.6-131.5-7.535.6-11000114.3
291P56.4Low37.9Very low126 Ų126127.2 Ų127.282%0.81880%0.796SS**  -136.6176.8-119.343.2-22.6000120.1
292G30.1Very low37.4Very low77 Ų77125.2 Ų125.279%0.79479%0.785SS**  trans111155.9160.300000116.1
293S33.8Very low37.1Very low128 Ų128121.3 Ų121.390%0.89578%0.777SS**  cis-166.7160.4-8.463.30000111.5
294G29.3Very low37.1Very low73 Ų73123.5 Ų123.575%0.75377%0.773SS**  trans112.5124.7158.900000119.8
295P48.4Very low37.2Very low123 Ų123130 Ų13080%0.79978%0.778SS**  trans-108.3-160.3167.544.8-35.6000110.7
296P48.3Very low37Very low98 Ų98126.4 Ų126.464%0.63677%0.773SS**  cis-147.1143.52.340.4-17.9000119.9
297T38.5Very low37.7Very low131 Ų131126.1 Ų126.180%0.80477%0.77SS**  trans67.2-167.813868.10000119.5
298P50.2Low37.2Very low115 Ų115132.1 Ų132.175%0.74778%0.779SS**  -140.2174-96.244.7-25.8000118.5
299S29.3Very low37.2Very low115 Ų115133.6 Ų133.680%0.80478%0.782SS**  trans-146.1142.2146.759.80000108.5
300R30.8Very low37.1Very low211 Ų211134.1 Ų134.180%0.79679%0.788SS**  cis82.288.69.3-157.5-175.8-161.9-104.78.5117.3
301D29.6Very low36.1Very low132 Ų132131.5 Ų131.571%0.70678%0.784SS**  -153.3134.7110-101.5-35.5000109.7
302S31.9Very low35.7Very low84 Ų84132 Ų13259%0.58779%0.787SS**  68104.280.6-54.30000112.3
303A30.6Very low35.7Very low87 Ų87131.3 Ų131.372%0.71978%0.78SS**  68.5143.174.900000113.3
304R32.3Very low36.7Very low221 Ų221131.7 Ų131.783%0.83478%0.78SS**  cis-158.6163.612.5-156178.2-66.2-114.3-0.9112
305R30.6Very low36.8Very low228 Ų228132.4 Ų132.486%0.8678%0.779SS**  trans-22.9132.8167.4-51.8171.3-173-164.4-0.1118.8
306A31.5Very low36Very low93 Ų93132.2 Ų132.277%0.76978%0.78SS**  54.2170.411800000121.9
307P54Low35.1Very low111 Ų111131.6 Ų131.672%0.72178%0.783SS**  cis-140.2-178.4-39.733.2-12.5000115.9
308R33.3Very low34.8Very low238 Ų238134.9 Ų134.990%0.89878%0.781SS**  trans95.6134150.6-65.4-174.9170-134.8-6.2122.9
309K33.3Very low34.5Very low217 Ų217134.9 Ų134.994%0.94378%0.781SS**  trans93.4118.6136.1-152.6-179.9-173.9-170.90120.2
310G27.5Very low34.7Very low80 Ų80132.8 Ų132.883%0.82577%0.766SS**  trans163.5125.7163.300000113.6
311G27.8Very low34.7Very low74 Ų74130.2 Ų130.276%0.76376%0.763SS**  trans-141.2-164.9168.200000108.5
312P48.2Very low34.9Very low135 Ų135129.1 Ų129.188%0.87777%0.766SS**  cis-104.3-171.95.241.3-32.3000112.3
313G29.6Very low34.9Very low63 Ų63134.8 Ų134.865%0.64978%0.78SS**  cis107.4162.717.300000111.6
314P55.7Low34.8Very low137 Ų137137.9 Ų137.989%0.8978%0.78SS**  cis-94.2-1373.230.8-13.9000111.4
315A30.5Very low34.6Very low88 Ų88134.2 Ų134.273%0.72777%0.774SS**  cis-153.7166.4500000108
316S32.8Very low34.4Very low119 Ų119129.8 Ų129.883%0.83277%0.772SS**  cis113.4121.431.7-170.10000109.7
317A29.2Very low34.1Very low84 Ų84128.7 Ų128.769%0.69477%0.77SS**  cis-147.1166.1-3.400000108.7
318R31.4Very low32.9Very low200 Ų200128.2 Ų128.276%0.75578%0.775SS**  cis65150.338.8-85.5-170167.4-117.3-15.5114.6E321R318-E321 IonicContact NH2-OE2 2.67Å
319P44.7Very low32.6Very low115 Ų115127.7 Ų127.775%0.74777%0.773SS**  cis-104.9170.29.99.715.1000113.9
320S33.1Very low32.3Very low71 Ų71123.3 Ų123.350%0.49776%0.76SS.*  cis9311130.595.90000114.5
321E31.4Very low32.5Very low157 Ų157130.6 Ų130.673%0.73476%0.762SS**  70.7142.589-68.4172.2110.100113.4R318R318-E321 IonicContact NH2-OE2 2.67Å
322S33.8Very low32.7Very low110 Ų110131 Ų13177%0.76976%0.758SS**  cis-170.3-17815.649.50000110.9
323K31.3Very low31.8Very low202 Ų202133.8 Ų133.888%0.87876%0.759SS**  144164.6124.2-162.5158.9-178.2-178.40115.2
324E28.2Very low31.7Very low152 Ų152138 Ų13871%0.7177%0.768SS**  trans-136.9157.5-156-161.1-157.9102.200112.6
325M28.8Very low30.6Very low145 Ų145134.6 Ų134.671%0.71476%0.757SS**  trans58.7125.5153.4-149.767.871.400121.7
326T26.3Very low30.7Very low135 Ų135136.2 Ų136.283%0.82876%0.763SS**  149.7134.4116.1-58.50000113.6
327G26.1Very low31.2Very low69 Ų69139.4 Ų139.471%0.71177%0.765SS**  trans96.5105.6162.100000114.4
328A27.9Very low31.5Very low101 Ų101143.4 Ų143.484%0.83577%0.774SS**  cis9914231.200000114.8
329R26.7Very low31.8Very low227 Ų227142 Ų14286%0.85778%0.776SS**  trans90.1122.4175.4-65.2-167.498.7171.43.6119.5
330L27.6Very low32.8Very low126 Ų126140.7 Ų140.766%0.6677%0.768SS**  trans100.1114.7133.4-104.862.1000120.9
331W30.6Very low34.1Very low233 Ų233142.7 Ų142.788%0.88378%0.779SS**  trans0.9119.8133.3-49.886.3000115.4
332A31.9Very low34.3Very low82 Ų82144.2 Ų144.268%0.67878%0.783SS**  87.7155.458.800000113.7
333Q31Very low34.5Very low193 Ų193145 Ų14590%0.90278%0.779SS**  trans76.8155.5-172.5-58.5-163.7136.600116.2
334D27.7Very low35.5Very low153 Ų153141.1 Ų141.182%0.81878%0.777SS**  cis-170.9156.5-27.9-177.5-128.9000109.2
335G30.9Very low36Very low64 Ų64141.5 Ų141.566%0.6678%0.784SS**  trans67.1173.8171.800000116.5
336S33.4Very low36.4Very low123 Ų123137.7 Ų137.786%0.8678%0.782SS**  cis-151.8157.5-11.8-173.50000109.7
337E42.3Very low36.7Very low186 Ų186141.2 Ų141.287%0.86979%0.789SS**  trans-83.5147.6172.6-55.9166.1131.500110.9
338D35.9Very low37.2Very low167 Ų167144.7 Ų144.789%0.89379%0.791SS**  trans-173.8173.8130.7-142.6-77.2000110.6
339E37.7Very low38.5Very low171 Ų171145.7 Ų145.780%0.79979%0.79SS**  trans-124.9-133.6-162.6-131.7-144.5146.900115.5
340P67.3Low38.7Very low88 Ų88142.8 Ų142.857%0.57179%0.785SS**  -121.5-153.2-101.341.1-22.9000113.9
341P58.8Low39.1Very low113 Ų113142.4 Ų142.473%0.73479%0.789SS**  -153.9169.762.942-19.9000119.4
342K37.2Very low39.1Very low188 Ų188135.7 Ų135.782%0.81778%0.783SS**  113.5150.3126-131.9167.4-176.2-176.60122.4
343D37.6Very low39Very low127 Ų127136.4 Ų136.468%0.67979%0.789SS**  trans-85.6164.7-164-29.3-97.6000116.6
344S50.8Low39Very low121 Ų121134.6 Ų134.685%0.84679%0.79SS**  -170.9156129.9-92.60000113.5
345D39.2Very low39Very low159 Ų159130.4 Ų130.485%0.8578%0.783SS**  trans-101.5171.7-165.3-46.4-102.2000115.1
346G36.5Very low38.9Very low65 Ų65133.8 Ų133.867%0.6780%0.795SS**  105.7112.8112.900000121.6
347E33.4Very low38.7Very low209 Ų209140 Ų14098%0.97780%0.8SS**  trans79.7157.6134.3-54.5-167.7106.600122.5
348D37.2Very low37.8Very low142 Ų142134 Ų13476%0.75979%0.788SS**  trans-116.2159.4-176.9-179-97000109
349P54.7Low38.3Very low123 Ų123132.3 Ų132.380%0.79979%0.786SS**  -150.5155.1125.535-17.4000117.8
350E31.8Very low38.1Very low165 Ų165130.3 Ų130.377%0.77179%0.786SS**  trans-79.8157.6171.7-165-163.3114.800114.2
351T34.3Very low37.1Very low119 Ų119132.4 Ų132.473%0.7380%0.799SS**  trans136.2132.9134.560.10000120.1
352A31.8Very low35.5Very low92 Ų92130.2 Ų130.276%0.7680%0.798SS**  trans72.796.6137.300000126
353A30.4Very low35.2Very low96 Ų96131 Ų13179%0.79380%0.804SS**  82.5159.7114.300000124.8
354V30.3Very low35Very low155 Ų155129.2 Ų129.294%0.93981%0.807SS**  trans76.7133.1176.6-169.20000116.4
355G28.3Very low35.2Very low65 Ų65129.5 Ų129.567%0.6781%0.806SS**  cis173.1143-11.600000116.5
356C28.9Very low35.1Very low135 Ų135126.7 Ų126.791%0.91281%0.805SS**  trans63109.4152.1-62.30000124.5
357R27.5Very low34.7Very low253 Ų253127.2 Ų127.296%0.95581%0.81SS**  -162.9149.3122.2-126.5179.2-170.9-102.32.9113.1
358G23.5Very low34.6Very low60 Ų60121 Ų12162%0.61980%0.803SS**  trans-113.9-167.7172.300000112.8
359P46.4Very low34.4Very low132 Ų132119.3 Ų119.386%0.85781%0.808SS**  cis-135.1-167.929.242.4-23.9000117.2
360T33.8Very low33.1Very low130 Ų130117.2 Ų117.280%0.79881%0.809SS**  trans-75.4179-17831.70000115.3
361P46.1Very low33.4Very low131 Ų131113.6 Ų113.685%0.85181%0.808SS**  cis-130.4176.415.142-24.8000116.9
362G26.4Very low33.2Very low68 Ų68116 Ų11670%0.70181%0.81SS**  cis166.2-164.2-7.900000115.2
363Q31.1Very low33.2Very low204 Ų204114.5 Ų114.595%0.95380%0.804SS**  trans78.3124.9172.3-151.615933.800119.6
364A33.7Very low33.6Very low89 Ų89118.4 Ų118.474%0.73680%0.803SS**  trans-153.7-157.8173.100000106.2
365P54.6Low33.4Very low127 Ų127114.6 Ų114.683%0.82580%0.795SS**  cis-109.3-156.4-2.845.2-32.8000110.9
366A36.9Very low33.5Very low101 Ų101120 Ų12084%0.83581%0.808SS**  cis-150.8-170.70.200000107.4
367G28.7Very low33.9Very low75 Ų75123.4 Ų123.477%0.77381%0.807SS**  cis165.7145.9-6.900000107.1
368G29.4Very low34.4Very low80 Ų80117.5 Ų117.583%0.82580%0.802SS**  cis99.2136.39.100000112.5
369A33.1Very low34.6Very low105 Ų105118.4 Ų118.487%0.86881%0.811SS**  cis-170.6164.7-15.800000110.3
370G28.8Very low33.9Very low80 Ų80117.5 Ų117.583%0.82581%0.808SS**  trans81.7173.9155.300000119.2
371A38Very low33.8Very low89 Ų89118.1 Ų118.174%0.73681%0.812SS**  cis-168.9159.9-14.800000112.7
372E30.1Very low33.5Very low168 Ų168119.8 Ų119.879%0.78581%0.813SS**  trans60156.9160.5-68-176.665.900121K374E372-K374 IonicContact OE1-NZ 3.18Å; E372-K374 PolarHBondContact OE1-NZ 2.82Å
373G32Very low34.1Very low61 Ų61121.8 Ų121.863%0.62981%0.813SS**  cis160.4178.7-10.600000115
374K37.8Very low34.5Very low178 Ų178119.8 Ų119.877%0.77481%0.808SS**  trans63.1119.7155.848-176.1171-65.90122.9E372E372-K374 IonicContact OE1-NZ 3.18Å; E372-K374 PolarHBondContact OE1-NZ 2.82Å
375G27Very low34.4Very low75 Ų75119 Ų11977%0.77381%0.809SS**  trans152.6108.5146.700000122.3
376L30.1Very low33.4Very low180 Ų180122.2 Ų122.294%0.94281%0.81SS**  trans75.5149.9145.8-54.8176.7000124.4
377F36.5Very low33.6Very low205 Ų205123.4 Ų123.490%0.89981%0.809SS**  trans-125.9-177.1168.7-69.2-80.6000108.3
378P38.3Very low33.9Very low130 Ų130130.5 Ų130.584%0.84482%0.815SS**  cis-133.5-171.7-0.544-26.8000114.9
379G28.1Very low34.6Very low78 Ų78130.1 Ų130.180%0.80480%0.804SS**  trans158.6128.6160.800000117.4
380S31.8Very low34.9Very low114 Ų114132.2 Ų132.280%0.79781%0.805SS**  trans-77.4148.5-173.5-47.80000116.4
381T30.7Very low35.1Very low142 Ų142132.4 Ų132.487%0.87179%0.794SS**  176.1153113.129.70000113.4
382L40.1Very low35.4Very low166 Ų166133.7 Ų133.787%0.86980%0.795SS**  trans-109.8151.9170.4-71.6175.1000108.1
383P39.7Very low36.1Very low110 Ų110134 Ų13471%0.71479%0.79SS**  -155.7166.771.841.8-21.2000119.5
384L40.2Very low36.1Very low163 Ų163140.1 Ų140.185%0.85380%0.8SS**  trans53.1115.3146.4-68.9164.1000121.1
385G30.5Very low36.1Very low73 Ų73141.2 Ų141.275%0.75381%0.807SS**  trans-176.3113.6160.100000113.1
386F34.3Very low36.6Very low193 Ų193144.2 Ų144.285%0.84681%0.811SS**PPolyproline II helixtrans-84.9135.8-179.8-74.8-98.5000112.5
387P39.4Very low36.9Very low126 Ų126139.7 Ų139.782%0.81881%0.807SS**PPolyproline II helixtrans-81123.6151.532.2-28.7000109.5
388Y36.3Very low37.1Very low225 Ų225134.7 Ų134.788%0.88280%0.804SS**PPolyproline II helixtrans-88.9129-177.9-164.6-94.7000111.7
389A43Very low37.6Very low72 Ų72136 Ų13660%0.59581%0.809SS**  trans38104.3164.200000118.9S391A389-S391 PolarHBondContact O-N 3.3Å; A389-S391 VanDerWaalsContact O-N 3.14Å
390V39.6Very low37.8Very low149 Ų149136 Ų13690%0.90381%0.81SS**  trans-65.5108.5150.4175.70000108.1
391S32.8Very low37.8Very low84 Ų84133.9 Ų133.959%0.58781%0.805SS**  trans-79.2126.3172.7-1750000109.9A389 Y393A389-S391 PolarHBondContact O-N 3.3Å; A389-S391 VanDerWaalsContact O-N 3.14Å; S391-Y393 PolarHBondContact O-N 3.06Å; S391-Y393 VanDerWaalsContact O-N 3.1Å
392P45.3Very low38.5Very low116 Ų116135.1 Ų135.175%0.75381%0.806SS**SBendtrans-83.425.4-174.735.4-37.4000113.8
393Y44.2Very low38.4Very low175 Ų175132 Ų13269%0.68680%0.798SS**  trans-126.2143.4179.8-71.5-86.1000110.7S391S391-Y393 PolarHBondContact O-N 3.06Å; S391-Y393 VanDerWaalsContact O-N 3.1Å
394F31.7Very low38.5Very low189 Ų189135.6 Ų135.683%0.82981%0.807SS**  trans77.181-177.9-47.6-68.8000116.7
395H38.6Very low38.3Very low200 Ų200135.1 Ų135.193%0.92681%0.806SS**  trans-107.5100.5146.8-72.5-44.8000109.2
396T38Very low39.1Very low139 Ų139135.2 Ų135.285%0.85381%0.807SS**  trans-137.899.5173.7-47.60000108.3
397G36.4Very low39.6Very low84 Ų84134 Ų13487%0.86680%0.804SS**  trans171.246.3-171.900000117
398A40.6Very low39.7Very low100 Ų100135.2 Ų135.283%0.82680%0.799SS**  trans-140.7109.7167.900000110.1
399V48Very low39.8Very low157 Ų157128.7 Ų128.795%0.95279%0.791SS**  trans-98.8118.7172.4-73.60000108.7
400G32.9Very low39.6Very low80 Ų80129.8 Ų129.883%0.82579%0.792SS**  trans175.468.8-173.300000117.8
401G32.4Very low40Very low68 Ų68125.9 Ų125.970%0.70178%0.775SS**  trans85.2106.6138.300000120.5
402L44.1Very low41.2Very low169 Ų169126.9 Ų126.989%0.88578%0.78SS**  trans76.2135.4139.8-50.2-179.6000120.1
403S38.2Very low42.2Very low101 Ų101126.1 Ų126.171%0.70677%0.766SS**  trans46.294.6162.158.10000118.1
404M42.2Very low44.1Very low184 Ų184122 Ų12291%0.90676%0.757SS**  -109.7147.4120.8-83.8-73.697.500108.8
405D36.5Very low46.8Very low153 Ų153113.2 Ų113.282%0.81872%0.718SS**  trans-73172.2175.8-169.7-152000110.8E407D405-E407 PolarHBondContact O-N 2.81Å
406G46.9Very low49.3Very low76 Ų76107.1 Ų107.178%0.78470%0.695SS**  trans-71.852.8-18000000114.9E408G406-E408 PolarHBondContact O-N 3.4Å
407E45.1Very low51.9Low167 Ų167107.8 Ų107.878%0.7869%0.686SS**  trans-79.5114.1170-139.4-111.3120.200109D405 A409D405-E407 PolarHBondContact O-N 2.81Å; E407-A409 PolarHBondContact O-N 3.35Å; E407-A409 VanDerWaalsContact O-N 3.13Å
408E39.9Very low54.8Low152 Ų152104.8 Ų104.871%0.7165%0.649SS**  trans-65.7110.2-180179.2165.695.600109.3G406 P410G406-E408 PolarHBondContact O-N 3.4Å; E408-P410 WeakPolarHBondContact O-CA 3.32Å
409A39.6Very low57.5Low88 Ų88103.5 Ų103.573%0.72763%0.631SS**  trans-48.5115.7177.900000109.1E407 A411E407-A409 PolarHBondContact O-N 3.35Å; E407-A409 VanDerWaalsContact O-N 3.13Å; A409-A411 PolarHBondContact O-N 3.12Å; A409-A411 VanDerWaalsContact O-N 3.12Å
410P37.8Very low59.8Low95 Ų9597.7 Ų97.762%0.61760%0.596SS**  trans-56.4119.3-147.512.2-29.2000111.1E408E408-P410 WeakPolarHBondContact O-CA 3.32Å
411A49.4Very low62.9Low66 Ų6698.1 Ų98.155%0.54558%0.579SS.*  trans-46.4126.1-179.500000108.6A409 E413A409-A411 PolarHBondContact O-N 3.12Å; A409-A411 VanDerWaalsContact O-N 3.12Å; A411-E413 PolarHBondContact O-N 3.47Å
412P58Low66Low105 Ų10598.3 Ų98.368%0.68256%0.564SS**  trans-55.2107.1-155.520.7-34000110D414P412-D414 PolarHBondContact O-N 3.44Å; P412-D414 VanDerWaalsContact O-N 3.11Å
413E65.8Low68.5Low100 Ų10090.3 Ų90.347%0.46752%0.522SS..  trans-47120.9-168.9-68.3171.9-179.900110A411 V415 W418A411-E413 PolarHBondContact O-N 3.47Å; E413-V415 PolarHBondContact O-N 3.44Å; E413-W418 PolarHBondContact OE2-NE1 3.18Å
414D84.1Confident71.3Confident90 Ų9085.9 Ų85.948%0.48149%0.491SS..  trans-57103.3178.8-69.8-61.4000108P412 T416 K417P412-D414 PolarHBondContact O-N 3.44Å; P412-D414 VanDerWaalsContact O-N 3.11Å; D414-T416 PolarHBondContact O-N 2.66Å; D414-K417 HydrophobicContact CB-CD 3.89Å; D414-K417 HydrophobicContact CB-CG 4.01Å; D414-K417 WeakPolarHBondContact O-CB 3.44Å; D414-K417 PolarHBondContact O-N 2.73Å; D414-K417 WeakPolarHBondContact OD2-CE 3.31Å; D414-K417 IonicContact OD2-NZ 2.77Å; D414-K417 PolarHBondContact OD2-NZ 3.04Å
415V89.3Confident73.9Confident4 Ų481.4 Ų81.42%0.02448%0.478CS..G310 helixtrans-54.8-29.7-172.4176.40000111E413 K417 W418 G447 L450 P451 R479 L480E413-V415 PolarHBondContact O-N 3.44Å; V415-K417 PolarHBondContact O-N 3.06Å; V415-K417 VanDerWaalsContact O-N 3.15Å; V415-W418 HydrophobicContact CG1-CD2 4.31Å; V415-W418 HydrophobicContact CG1-CE3 3.84Å; V415-W418 HydrophobicContact CG1-CZ3 4.19Å; V415-W418 WeakPolarHBondContact O-CB 3.36Å; V415-W418 PolarHBondContact O-N 2.86Å; V415-W418 VanDerWaalsContact O-N 3.14Å; V415-G447 CarbonylContact C-O 3.56Å; V415-G447 CarbonylContact O-C 3.59Å; V415-G447 WeakPolarHBondContact O-CA 3.46Å; V415-L450 HydrophobicContact CG1-CD2 4.14Å; V415-P451 HydrophobicContact CG1-CG 4.19Å; V415-R479 HydrophobicContact CG2-CB 3.68Å; V415-L480 HydrophobicContact CB-CD2 3.86Å; V415-L480 HydrophobicContact CG1-CD2 4.48Å; V415-L480 HydrophobicContact CG2-CD2 4.07Å; V415-L480 HydrophobicContact CG2-CG 4.34Å
416T90.5Very high76.7Confident72 Ų7275.1 Ų75.144%0.44244%0.443SS..G310 helixtrans-62.7-13.1174.8570000115.1D414 G447 E448D414-T416 PolarHBondContact O-N 2.66Å; T416-G447 WeakPolarHBondContact CA-O 3.23Å; T416-E448 WeakPolarHBondContact O-CG 3.01Å
417K93.3Very high79.1Confident152 Ų15271.5 Ų71.566%0.66141%0.406SS*.G310 helixtrans-94-9.6176.5-62.4176.7-176.1157.20113.4D414 V415D414-K417 HydrophobicContact CB-CD 3.89Å; D414-K417 HydrophobicContact CB-CG 4.01Å; D414-K417 WeakPolarHBondContact O-CB 3.44Å; D414-K417 PolarHBondContact O-N 2.73Å; D414-K417 WeakPolarHBondContact OD2-CE 3.31Å; D414-K417 IonicContact OD2-NZ 2.77Å; D414-K417 PolarHBondContact OD2-NZ 3.04Å; V415-K417 PolarHBondContact O-N 3.06Å; V415-K417 VanDerWaalsContact O-N 3.15Å
418W95.9Very high81.5Confident21 Ų2165.3 Ų65.38%0.0839%0.387CS..  trans-67.9136.1-177.6-73.8-8.4000112E413 V415 D422 V423 F426 G447 L450E413-W418 PolarHBondContact OE2-NE1 3.18Å; V415-W418 HydrophobicContact CG1-CD2 4.31Å; V415-W418 HydrophobicContact CG1-CE3 3.84Å; V415-W418 HydrophobicContact CG1-CZ3 4.19Å; V415-W418 WeakPolarHBondContact O-CB 3.36Å; V415-W418 PolarHBondContact O-N 2.86Å; V415-W418 VanDerWaalsContact O-N 3.14Å; W418-D422 HydrophobicContact CB-CB 3.9Å; W418-D422 HydrophobicContact CG-CB 4.04Å; W418-V423 HydrophobicContact CB-CG2 4.19Å; W418-V423 HydrophobicContact CE3-CG2 4.23Å; W418-F426 HydrophobicContact CH2-CB 3.89Å; W418-F426 HydrophobicContact CH2-CD1 4.12Å; W418-F426 AromaticContact CH2-CD2 3.72Å; W418-F426 HydrophobicContact CH2-CD2 3.72Å; W418-F426 HydrophobicContact CH2-CE2 4.26Å; W418-F426 AromaticContact CH2-CG 3.63Å; W418-F426 HydrophobicContact CH2-CG 3.63Å; W418-F426 HydrophobicContact CZ3-CB 3.83Å; W418-F426 AromaticContact CZ3-CD1 3.62Å; W418-F426 HydrophobicContact CZ3-CD1 3.62Å; W418-F426 HydrophobicContact CZ3-CD2 4.1Å; W418-F426 HydrophobicContact CZ3-CE1 4.16Å; W418-F426 AromaticContact CZ3-CG 3.57Å; W418-F426 HydrophobicContact CZ3-CG 3.57Å; W418-G447 WeakPolarHBondContact O-CA 3.48Å; W418-G447 PolarHBondContact O-N 3.14Å; W418-L450 HydrophobicContact CE3-CD2 3.88Å; W418-L450 HydrophobicContact CZ3-CD2 3.85Å
419T96.8Very high84.1Confident73 Ų7361.3 Ų61.345%0.44839%0.387SS..  trans-79.3170.1169.969.90000111.2D421 D422 V423T419-D421 PolarHBondContact O-N 3.44Å; T419-D421 PolarHBondContact OG1-N 3.23Å; T419-D422 VanDerWaalsContact CB-OD2 3.31Å; T419-D422 WeakPolarHBondContact CB-OD2 3.33Å; T419-D422 WeakPolarHBondContact CG2-OD2 3.31Å; T419-D422 PolarHBondContact N-OD2 3.01Å; T419-D422 PolarHBondContact O-N 3.44Å; T419-D422 VanDerWaalsContact O-N 3.11Å; T419-D422 VanDerWaalsContact OG1-CG 3.28Å; T419-D422 PolarHBondContact OG1-N 3.15Å; T419-D422 PolarHBondContact OG1-OD2 3.06Å; T419-V423 WeakPolarHBondContact O-CG2 3.21Å; T419-V423 PolarHBondContact O-N 3.33Å
420V97.6Very high86.8Confident36 Ų3658.4 Ų58.422%0.21836%0.359CS..Hα-helixtrans-56.8-34.3173.2-175.10000111.7C424 I445 D446V420-C424 WeakPolarHBondContact O-CB 3.36Å; V420-C424 PolarHBondContact O-N 3.35Å; V420-C424 PolarHBondContact O-SG 3.42Å; V420-I445 WeakPolarHBondContact CA-O 3.36Å; V420-D446 HydrophobicContact CG2-CB 4.16Å
421D97.9Very high89.5Confident88 Ų8858.2 Ų58.247%0.47136%0.36SS..Hα-helixtrans-69.4-39.5176.3-83.3-82.8000112.6T419 C424 S425 R441T419-D421 PolarHBondContact O-N 3.44Å; T419-D421 PolarHBondContact OG1-N 3.23Å; D421-C424 PolarHBondContact O-N 2.92Å; D421-S425 WeakPolarHBondContact O-CB 3.32Å; D421-S425 PolarHBondContact O-N 3.49Å; D421-R441 VanDerWaalsContact CG-NH1 3.26Å; D421-R441 IonicContact OD1-CZ 2.63Å; D421-R441 IonicContact OD1-NH1 2.66Å; D421-R441 PolarHBondContact OD1-NH1 3.23Å; D421-R441 IonicContact OD1-NH2 2.62Å; D421-R441 PolarHBondContact OD1-NH2 2.98Å; D421-R441 IonicContact OD2-NH1 3.65Å; D421-R441 PolarHBondContact OD2-NH1 3.3Å; D421-R441 VanDerWaalsContact OD2-NH1 3.13Å
422D96.6Very high91.5Very high73 Ų7357.6 Ų57.639%0.3936%0.359SS..Hα-helixtrans-66.7-41.7175.2-55.1-54.4000111.2W418 T419 C424 S425 F426W418-D422 HydrophobicContact CB-CB 3.9Å; W418-D422 HydrophobicContact CG-CB 4.04Å; T419-D422 VanDerWaalsContact CB-OD2 3.31Å; T419-D422 WeakPolarHBondContact CB-OD2 3.33Å; T419-D422 WeakPolarHBondContact CG2-OD2 3.31Å; T419-D422 PolarHBondContact N-OD2 3.01Å; T419-D422 PolarHBondContact O-N 3.44Å; T419-D422 VanDerWaalsContact O-N 3.11Å; T419-D422 VanDerWaalsContact OG1-CG 3.28Å; T419-D422 PolarHBondContact OG1-N 3.15Å; T419-D422 PolarHBondContact OG1-OD2 3.06Å; D422-C424 VanDerWaalsContact C-N 3.35Å; D422-C424 PolarHBondContact O-N 2.93Å; D422-S425 WeakPolarHBondContact O-CB 3.31Å; D422-S425 PolarHBondContact O-N 2.83Å; D422-F426 WeakPolarHBondContact O-CB 3.23Å; D422-F426 PolarHBondContact O-N 2.92Å
423V96.8Very high93.2Very high0 Ų052.6 Ų52.60%033%0.327CS..Hα-helixtrans-61-43.1172.7173.70000111.1W418 T419 F426 V427 F440 I445 L450W418-V423 HydrophobicContact CB-CG2 4.19Å; W418-V423 HydrophobicContact CE3-CG2 4.23Å; T419-V423 WeakPolarHBondContact O-CG2 3.21Å; T419-V423 PolarHBondContact O-N 3.33Å; V423-F426 PolarHBondContact O-N 3.04Å; V423-V427 HydrophobicContact CG1-CG2 4.48Å; V423-V427 WeakPolarHBondContact O-CB 3.3Å; V423-V427 WeakPolarHBondContact O-CG2 3.37Å; V423-V427 PolarHBondContact O-N 2.83Å; V423-F440 HydrophobicContact CG1-CD1 3.74Å; V423-F440 HydrophobicContact CG1-CE1 4.45Å; V423-I445 WeakPolarHBondContact CB-O 3.49Å; V423-I445 HydrophobicContact CG1-CB 4.42Å; V423-I445 HydrophobicContact CG1-CG2 4.09Å; V423-L450 HydrophobicContact CG1-CD1 4.34Å; V423-L450 HydrophobicContact CG1-CD2 4.14Å; V423-L450 HydrophobicContact CG2-CB 4.44Å; V423-L450 HydrophobicContact CG2-CD2 3.98Å
424C97.1Very high94.6Very high8 Ų849.3 Ų49.35%0.05432%0.32CS..Hα-helixtrans-64.3-40.8175.5-71.70000112.3V420 D421 D422 G428 T437V420-C424 WeakPolarHBondContact O-CB 3.36Å; V420-C424 PolarHBondContact O-N 3.35Å; V420-C424 PolarHBondContact O-SG 3.42Å; D421-C424 PolarHBondContact O-N 2.92Å; D422-C424 VanDerWaalsContact C-N 3.35Å; D422-C424 PolarHBondContact O-N 2.93Å; C424-G428 PolarHBondContact O-N 2.88Å; C424-T437 WeakPolarHBondContact O-CG2 3.39Å; C424-T437 PolarHBondContact SG-O 2.9Å
425S96.7Very high95.1Very high90 Ų9050.7 Ų50.763%0.62932%0.324SS*.Hα-helixtrans-62.1-47.6175.2-173.70000111.2D421 D422 G428 G429D421-S425 WeakPolarHBondContact O-CB 3.32Å; D421-S425 PolarHBondContact O-N 3.49Å; D422-S425 WeakPolarHBondContact O-CB 3.31Å; D422-S425 PolarHBondContact O-N 2.83Å; S425-G428 PolarHBondContact O-N 3.49Å; S425-G429 PolarHBondContact O-N 3.29Å
426F95.8Very high95.4Very high21 Ų2151.3 Ų51.39%0.09233%0.326CS..Hα-helixtrans-58.6-50.5175.4164.3-110.8000112.5W418 D422 V423 G428 G429 L430 L450 Q475 V476W418-F426 HydrophobicContact CH2-CB 3.89Å; W418-F426 HydrophobicContact CH2-CD1 4.12Å; W418-F426 AromaticContact CH2-CD2 3.72Å; W418-F426 HydrophobicContact CH2-CD2 3.72Å; W418-F426 HydrophobicContact CH2-CE2 4.26Å; W418-F426 AromaticContact CH2-CG 3.63Å; W418-F426 HydrophobicContact CH2-CG 3.63Å; W418-F426 HydrophobicContact CZ3-CB 3.83Å; W418-F426 AromaticContact CZ3-CD1 3.62Å; W418-F426 HydrophobicContact CZ3-CD1 3.62Å; W418-F426 HydrophobicContact CZ3-CD2 4.1Å; W418-F426 HydrophobicContact CZ3-CE1 4.16Å; W418-F426 AromaticContact CZ3-CG 3.57Å; W418-F426 HydrophobicContact CZ3-CG 3.57Å; D422-F426 WeakPolarHBondContact O-CB 3.23Å; D422-F426 PolarHBondContact O-N 2.92Å; V423-F426 PolarHBondContact O-N 3.04Å; F426-G428 VanDerWaalsContact C-N 3.29Å; F426-G428 PolarHBondContact O-N 3.43Å; F426-G429 PolarHBondContact O-N 3.18Å; F426-L430 HydrophobicContact CE1-CD1 4.37Å; F426-L430 HydrophobicContact CE2-CD1 4.31Å; F426-L430 HydrophobicContact CE2-CD2 4.44Å; F426-L430 HydrophobicContact CZ-CD1 4.03Å; F426-L430 PolarHBondContact O-N 3.36Å; F426-L450 HydrophobicContact CD1-CD2 4.17Å; F426-L450 HydrophobicContact CE1-CD2 4.18Å; F426-Q475 HydrophobicContact CE2-CB 4.05Å; F426-Q475 HydrophobicContact CZ-CB 3.7Å; F426-V476 HydrophobicContact CE1-CG2 3.74Å; F426-V476 HydrophobicContact CZ-CG2 4.04Å
427V96.4Very high95.6Very high0 Ų049.8 Ų49.80%032%0.317CS..Hα-helixtrans-64.8-35.1177.7172.70000111.2V423 L430 C433 T437 F440 I472V423-V427 HydrophobicContact CG1-CG2 4.48Å; V423-V427 WeakPolarHBondContact O-CB 3.3Å; V423-V427 WeakPolarHBondContact O-CG2 3.37Å; V423-V427 PolarHBondContact O-N 2.83Å; V427-L430 PolarHBondContact O-N 3.46Å; V427-C433 HydrophobicContact CG1-CB 4.22Å; V427-C433 WeakPolarHBondContact O-CB 3.32Å; V427-T437 HydrophobicContact CB-CG2 4.26Å; V427-T437 HydrophobicContact CG1-CG2 4.05Å; V427-F440 HydrophobicContact CG1-CD2 4.3Å; V427-F440 HydrophobicContact CG1-CE2 4.38Å; V427-F440 HydrophobicContact CG2-CD1 4.09Å; V427-F440 HydrophobicContact CG2-CD2 4.44Å; V427-F440 HydrophobicContact CG2-CE1 4.07Å; V427-F440 HydrophobicContact CG2-CE2 4.42Å; V427-F440 HydrophobicContact CG2-CG 4.28Å; V427-F440 HydrophobicContact CG2-CZ 4.24Å; V427-I472 HydrophobicContact CG1-CD1 4.08Å; V427-I472 HydrophobicContact CG2-CD1 4.33Å
428G96.5Very high95.8Very high37 Ų3750.7 Ų50.738%0.38132%0.316SS..Hα-helixtrans-64.3-38.8175.400000113.5C424 S425 F426 L430 T437C424-G428 PolarHBondContact O-N 2.88Å; S425-G428 PolarHBondContact O-N 3.49Å; F426-G428 VanDerWaalsContact C-N 3.29Å; F426-G428 PolarHBondContact O-N 3.43Å; G428-L430 PolarHBondContact O-N 3.37Å; G428-T437 VanDerWaalsContact CA-CG2 3.4Å; G428-T437 VanDerWaalsContact N-CG2 3.33Å
429G95.3Very high95.8Very high69 Ų6951.3 Ų51.371%0.71132%0.322SS*.THydrogen-bonded Turntrans-70.8-10.6175.200000114.9S425 F426S425-G429 PolarHBondContact O-N 3.29Å; F426-G429 PolarHBondContact O-N 3.18Å
430L95.6Very high95.8Very high26 Ų2647.8 Ų47.814%0.13630%0.3CS..SBendtrans-85.5126.9177.2-64.5-177.9000111.5F426 V427 G428 G432 C433 I472 Q475F426-L430 HydrophobicContact CE1-CD1 4.37Å; F426-L430 HydrophobicContact CE2-CD1 4.31Å; F426-L430 HydrophobicContact CE2-CD2 4.44Å; F426-L430 HydrophobicContact CZ-CD1 4.03Å; F426-L430 PolarHBondContact O-N 3.36Å; V427-L430 PolarHBondContact O-N 3.46Å; G428-L430 PolarHBondContact O-N 3.37Å; L430-G432 PolarHBondContact O-N 2.85Å; L430-C433 HydrophobicContact CB-CB 3.78Å; L430-C433 WeakPolarHBondContact O-CB 3.35Å; L430-C433 PolarHBondContact O-N 3.21Å; L430-I472 HydrophobicContact CD1-CG1 3.91Å; L430-Q475 HydrophobicContact CD1-CB 4.32Å; L430-Q475 HydrophobicContact CD1-CG 4.25Å; L430-Q475 HydrophobicContact CD2-CB 4.44Å; L430-Q475 HydrophobicContact CD2-CG 3.84Å
431S94.1Very high95.8Very high92 Ų9251.9 Ų51.964%0.64331%0.312SS*.THydrogen-bonded Turntrans-58.3120.8-175.161.20000112.2C433 K471S431-C433 VanDerWaalsContact C-N 3.31Å; S431-C433 PolarHBondContact O-N 3.26Å; S431-K471 PolarHBondContact O-NZ 3.47Å
432G91.7Very high95.7Very high52 Ų5253.4 Ų53.454%0.53632%0.316SS..THydrogen-bonded Turntrans68.624-175.900000114.7L430L430-G432 PolarHBondContact O-N 2.85Å
433C94.6Very high95.7Very high0 Ų055 Ų550%032%0.321CS..THydrogen-bonded Turntrans-116.3-10.9173-55.20000113.3V427 L430 S431 E435 Y436V427-C433 HydrophobicContact CG1-CB 4.22Å; V427-C433 WeakPolarHBondContact O-CB 3.32Å; L430-C433 HydrophobicContact CB-CB 3.78Å; L430-C433 WeakPolarHBondContact O-CB 3.35Å; L430-C433 PolarHBondContact O-N 3.21Å; S431-C433 VanDerWaalsContact C-N 3.31Å; S431-C433 PolarHBondContact O-N 3.26Å; C433-E435 PolarHBondContact O-N 3.05Å; C433-E435 VanDerWaalsContact O-N 3.14Å; C433-Y436 WeakPolarHBondContact O-CD2 3.44Å; C433-Y436 PolarHBondContact O-N 2.89Å
434G93.6Very high95.6Very high32 Ų3256.8 Ų56.833%0.3334%0.34SS..G310 helixtrans-54.1-33.3-178.800000114.9Y436 T437G434-Y436 PolarHBondContact O-N 3.12Å; G434-Y436 VanDerWaalsContact O-N 3.16Å; G434-T437 WeakPolarHBondContact O-CB 3.49Å; G434-T437 WeakPolarHBondContact O-CG2 3.28Å; G434-T437 PolarHBondContact O-N 2.9Å; G434-T437 PolarHBondContact O-OG1 2.72Å
435E94.6Very high95.7Very high119 Ų11956.7 Ų56.756%0.55634%0.339SS*.G310 helixtrans-59.7-23.1176.165.8-166.8-129.300113.8C433 K465C433-E435 PolarHBondContact O-N 3.05Å; C433-E435 VanDerWaalsContact O-N 3.14Å; E435-K465 IonicContact OE1-NZ 2.74Å; E435-K465 PolarHBondContact OE1-NZ 3.08Å
436Y95.4Very high95.7Very high17 Ų1754.9 Ų54.97%0.06732%0.322CS..G310 helixtrans-94.7-8-179.6-54.7-73000114.2C433 G434 R438 V439 F440 L464 K465 P468C433-Y436 WeakPolarHBondContact O-CD2 3.44Å; C433-Y436 PolarHBondContact O-N 2.89Å; G434-Y436 PolarHBondContact O-N 3.12Å; G434-Y436 VanDerWaalsContact O-N 3.16Å; Y436-R438 PolarHBondContact O-N 3.23Å; Y436-V439 WeakPolarHBondContact O-CA 3.38Å; Y436-V439 WeakPolarHBondContact O-CB 3.47Å; Y436-V439 PolarHBondContact O-N 3.28Å; Y436-F440 WeakPolarHBondContact O-CD2 3.44Å; Y436-F440 PolarHBondContact O-N 2.88Å; Y436-F440 VanDerWaalsContact O-N 3.12Å; Y436-L464 HydrophobicContact CD1-CD1 3.6Å; Y436-L464 HydrophobicContact CD1-CG 3.58Å; Y436-L464 HydrophobicContact CD2-CG 4.15Å; Y436-L464 HydrophobicContact CE1-CB 4.34Å; Y436-L464 HydrophobicContact CE1-CD1 4.2Å; Y436-L464 HydrophobicContact CE1-CG 3.85Å; Y436-L464 HydrophobicContact CE2-CG 4.41Å; Y436-L464 HydrophobicContact CG-CD1 3.96Å; Y436-L464 HydrophobicContact CG-CD2 4.32Å; Y436-L464 HydrophobicContact CG-CG 3.73Å; Y436-K465 VanDerWaalsContact OH-CD 3.26Å; Y436-K465 WeakPolarHBondContact OH-CD 3.49Å; Y436-K465 WeakPolarHBondContact OH-CE 3.49Å; Y436-K465 WeakPolarHBondContact OH-CG 3.49Å; Y436-K465 PolarHBondContact OH-N 3.24Å; Y436-K465 PolarHBondContact OH-NZ 2.99Å; Y436-P468 HydrophobicContact CD2-CB 3.97Å; Y436-P468 HydrophobicContact CD2-CG 4.4Å; Y436-P468 HydrophobicContact CE2-CB 3.52Å; Y436-P468 HydrophobicContact CE2-CG 3.52Å
437T96.4Very high95.6Very high40 Ų4053.9 Ų53.925%0.24532%0.318CS..Hα-helixtrans-54.9-39.7-179.252.90000112.8C424 V427 G428 G434 V439 F440 R441C424-T437 WeakPolarHBondContact O-CG2 3.39Å; C424-T437 PolarHBondContact SG-O 2.9Å; V427-T437 HydrophobicContact CB-CG2 4.26Å; V427-T437 HydrophobicContact CG1-CG2 4.05Å; G428-T437 VanDerWaalsContact CA-CG2 3.4Å; G428-T437 VanDerWaalsContact N-CG2 3.33Å; G434-T437 WeakPolarHBondContact O-CB 3.49Å; G434-T437 WeakPolarHBondContact O-CG2 3.28Å; G434-T437 PolarHBondContact O-N 2.9Å; G434-T437 PolarHBondContact O-OG1 2.72Å; T437-V439 VanDerWaalsContact C-N 3.32Å; T437-V439 PolarHBondContact O-N 3.3Å; T437-F440 PolarHBondContact O-N 2.88Å; T437-R441 PolarHBondContact O-N 3.32Å
438R96.5Very high95.5Very high171 Ų17160.2 Ų60.265%0.64535%0.347SS*.Hα-helixtrans-58.7-41.5173.2179.2176.1168.9178.9-3.9112.3Y436 R441 E442Y436-R438 PolarHBondContact O-N 3.23Å; R438-R441 WeakPolarHBondContact O-CB 3.44Å; R438-R441 PolarHBondContact O-N 3.33Å; R438-E442 HydrophobicContact CG-CG 4.29Å; R438-E442 IonicContact CZ-OE1 2.73Å; R438-E442 IonicContact NE-OE1 2.69Å; R438-E442 PolarHBondContact NE-OE1 2.94Å; R438-E442 IonicContact NE-OE2 3.8Å; R438-E442 IonicContact NH2-OE1 3.7Å; R438-E442 PolarHBondContact NH2-OE1 2.9Å; R438-E442 WeakPolarHBondContact O-CB 3.36Å; R438-E442 WeakPolarHBondContact O-CG 3.41Å; R438-E442 PolarHBondContact O-N 3.42Å
439V96.4Very high95.4Very high33 Ų3361 Ų6120%0.235%0.345CS..Hα-helixtrans-67-41.9-179.9-172.50000110.9Y436 T437 R441 E442 Q443 M462Y436-V439 WeakPolarHBondContact O-CA 3.38Å; Y436-V439 WeakPolarHBondContact O-CB 3.47Å; Y436-V439 PolarHBondContact O-N 3.28Å; T437-V439 VanDerWaalsContact C-N 3.32Å; T437-V439 PolarHBondContact O-N 3.3Å; V439-R441 VanDerWaalsContact C-N 3.28Å; V439-R441 PolarHBondContact O-N 3.01Å; V439-E442 PolarHBondContact O-N 2.94Å; V439-Q443 HydrophobicContact CG1-CG 4.3Å; V439-Q443 WeakPolarHBondContact O-CB 3.33Å; V439-Q443 VanDerWaalsContact O-CG 3.31Å; V439-Q443 WeakPolarHBondContact O-CG 3.39Å; V439-Q443 PolarHBondContact O-N 3.05Å; V439-M462 HydrophobicContact CG1-CB 3.82Å; V439-M462 HydrophobicContact CG1-CG 3.78Å
440F96.9Very high95.4Very high0 Ų058 Ų580%031%0.312CS..Hα-helixtrans-62.3-36.5174.4-82-106.9000111.9V423 V427 Y436 T437 G444 I445 L450 L453 L458 M462 L464 I472V423-F440 HydrophobicContact CG1-CD1 3.74Å; V423-F440 HydrophobicContact CG1-CE1 4.45Å; V427-F440 HydrophobicContact CG1-CD2 4.3Å; V427-F440 HydrophobicContact CG1-CE2 4.38Å; V427-F440 HydrophobicContact CG2-CD1 4.09Å; V427-F440 HydrophobicContact CG2-CD2 4.44Å; V427-F440 HydrophobicContact CG2-CE1 4.07Å; V427-F440 HydrophobicContact CG2-CE2 4.42Å; V427-F440 HydrophobicContact CG2-CG 4.28Å; V427-F440 HydrophobicContact CG2-CZ 4.24Å; Y436-F440 WeakPolarHBondContact O-CD2 3.44Å; Y436-F440 PolarHBondContact O-N 2.88Å; Y436-F440 VanDerWaalsContact O-N 3.12Å; T437-F440 PolarHBondContact O-N 2.88Å; F440-G444 PolarHBondContact O-N 2.8Å; F440-I445 HydrophobicContact CB-CB 4.46Å; F440-I445 HydrophobicContact CB-CG1 4.46Å; F440-I445 HydrophobicContact CD1-CB 3.82Å; F440-I445 HydrophobicContact CD1-CG1 3.9Å; F440-I445 HydrophobicContact CD1-CG2 3.85Å; F440-I445 HydrophobicContact CE1-CG2 4.21Å; F440-I445 HydrophobicContact CG-CG1 4.38Å; F440-I445 PolarHBondContact O-N 3.22Å; F440-L450 HydrophobicContact CE1-CD1 3.96Å; F440-L453 HydrophobicContact CE1-CD1 3.86Å; F440-L453 HydrophobicContact CZ-CD1 4.42Å; F440-L458 HydrophobicContact CE1-CD2 4.5Å; F440-L458 HydrophobicContact CE2-CD2 4.33Å; F440-L458 HydrophobicContact CZ-CD2 3.65Å; F440-M462 HydrophobicContact CD2-SD 4.33Å; F440-M462 HydrophobicContact CE2-SD 4.06Å; F440-M462 HydrophobicContact CZ-SD 4.19Å; F440-L464 HydrophobicContact CE2-CD1 4.34Å; F440-L464 HydrophobicContact CE2-CD2 4.23Å; F440-I472 HydrophobicContact CE2-CD1 3.99Å; F440-I472 HydrophobicContact CZ-CD1 3.87Å; F440-I472 HydrophobicContact CZ-CG2 4.27Å
441R97Very high95.3Very high121 Ų12158.8 Ų58.846%0.45732%0.319SS..Hα-helixtrans-68.2-44.7173.5-168.9175.3-67.7-87.41.9112.9D421 T437 R438 V439 Q443 G444D421-R441 VanDerWaalsContact CG-NH1 3.26Å; D421-R441 IonicContact OD1-CZ 2.63Å; D421-R441 IonicContact OD1-NH1 2.66Å; D421-R441 PolarHBondContact OD1-NH1 3.23Å; D421-R441 IonicContact OD1-NH2 2.62Å; D421-R441 PolarHBondContact OD1-NH2 2.98Å; D421-R441 IonicContact OD2-NH1 3.65Å; D421-R441 PolarHBondContact OD2-NH1 3.3Å; D421-R441 VanDerWaalsContact OD2-NH1 3.13Å; T437-R441 PolarHBondContact O-N 3.32Å; R438-R441 WeakPolarHBondContact O-CB 3.44Å; R438-R441 PolarHBondContact O-N 3.33Å; V439-R441 VanDerWaalsContact C-N 3.28Å; V439-R441 PolarHBondContact O-N 3.01Å; R441-Q443 VanDerWaalsContact C-N 3.34Å; R441-G444 PolarHBondContact O-N 3.02Å; R441-G444 VanDerWaalsContact O-N 3.12Å
442E96.6Very high95.3Very high120 Ų12060.7 Ų60.756%0.56132%0.321SS*.Hα-helixtrans-68.1-32.3-179.6-75.5174.215800112.6R438 V439 G444R438-E442 HydrophobicContact CG-CG 4.29Å; R438-E442 IonicContact CZ-OE1 2.73Å; R438-E442 IonicContact NE-OE1 2.69Å; R438-E442 PolarHBondContact NE-OE1 2.94Å; R438-E442 IonicContact NE-OE2 3.8Å; R438-E442 IonicContact NH2-OE1 3.7Å; R438-E442 PolarHBondContact NH2-OE1 2.9Å; R438-E442 WeakPolarHBondContact O-CB 3.36Å; R438-E442 WeakPolarHBondContact O-CG 3.41Å; R438-E442 PolarHBondContact O-N 3.42Å; V439-E442 PolarHBondContact O-N 2.94Å; E442-G444 VanDerWaalsContact C-N 3.31Å
443Q95.9Very high95.4Very high106 Ų10659 Ų5950%0.49530%0.3SS..THydrogen-bonded Turntrans-83.5-3.9172.2-62.2-66-20.800113.3V439 R441 I445 M462V439-Q443 HydrophobicContact CG1-CG 4.3Å; V439-Q443 WeakPolarHBondContact O-CB 3.33Å; V439-Q443 VanDerWaalsContact O-CG 3.31Å; V439-Q443 WeakPolarHBondContact O-CG 3.39Å; V439-Q443 PolarHBondContact O-N 3.05Å; R441-Q443 VanDerWaalsContact C-N 3.34Å; Q443-I445 VanDerWaalsContact C-N 3.33Å; Q443-I445 HydrophobicContact CB-CD1 3.78Å; Q443-I445 HydrophobicContact CB-CG1 3.93Å; Q443-I445 PolarHBondContact O-N 3.44Å; Q443-M462 HydrophobicContact CG-CG 4.07Å
444G95.7Very high95.4Very high38 Ų3862.6 Ų62.639%0.39232%0.322SS..THydrogen-bonded Turntrans63.931.8179.100000114.5F440 R441 E442 D446F440-G444 PolarHBondContact O-N 2.8Å; R441-G444 PolarHBondContact O-N 3.02Å; R441-G444 VanDerWaalsContact O-N 3.12Å; E442-G444 VanDerWaalsContact C-N 3.31Å; G444-D446 PolarHBondContact O-N 2.92Å; G444-D446 VanDerWaalsContact O-N 3.15Å
445I97.2Very high95.5Very high7 Ų764 Ų644%0.03632%0.32CS..  trans-69.1111.8-175.2-53.4-53.2000110.5V420 V423 F440 Q443 T449 L450 L453V420-I445 WeakPolarHBondContact CA-O 3.36Å; V423-I445 WeakPolarHBondContact CB-O 3.49Å; V423-I445 HydrophobicContact CG1-CB 4.42Å; V423-I445 HydrophobicContact CG1-CG2 4.09Å; F440-I445 HydrophobicContact CB-CB 4.46Å; F440-I445 HydrophobicContact CB-CG1 4.46Å; F440-I445 HydrophobicContact CD1-CB 3.82Å; F440-I445 HydrophobicContact CD1-CG1 3.9Å; F440-I445 HydrophobicContact CD1-CG2 3.85Å; F440-I445 HydrophobicContact CE1-CG2 4.21Å; F440-I445 HydrophobicContact CG-CG1 4.38Å; F440-I445 PolarHBondContact O-N 3.22Å; Q443-I445 VanDerWaalsContact C-N 3.33Å; Q443-I445 HydrophobicContact CB-CD1 3.78Å; Q443-I445 HydrophobicContact CB-CG1 3.93Å; Q443-I445 PolarHBondContact O-N 3.44Å; I445-T449 HydrophobicContact CD1-CG2 4.28Å; I445-L450 HydrophobicContact CG2-CB 4.03Å; I445-L450 HydrophobicContact CG2-CD1 4.46Å; I445-L453 HydrophobicContact CD1-CD2 4.17Å; I445-L453 HydrophobicContact CG2-CD1 3.91Å
446D96.7Very high95.5Very high52 Ų5265 Ų6528%0.27832%0.324SS..  trans-98.3-178.3173.665.712.2000112.6V420 G444 E448 T449 L450V420-D446 HydrophobicContact CG2-CB 4.16Å; G444-D446 PolarHBondContact O-N 2.92Å; G444-D446 VanDerWaalsContact O-N 3.15Å; D446-E448 VanDerWaalsContact C-N 3.34Å; D446-E448 PolarHBondContact O-N 3.25Å; D446-E448 PolarHBondContact OD1-N 2.89Å; D446-T449 PolarHBondContact O-N 3.27Å; D446-T449 WeakPolarHBondContact OD1-CB 3.24Å; D446-T449 PolarHBondContact OD1-N 3.5Å; D446-T449 PolarHBondContact OD1-OG1 3.29Å; D446-L450 VanDerWaalsContact O-CB 3.22Å; D446-L450 WeakPolarHBondContact O-CB 3.42Å; D446-L450 PolarHBondContact O-N 2.92Å
447G94.8Very high95.5Very high0 Ų066.8 Ų66.80%033%0.333CS..THydrogen-bonded Turntrans-66.9-26.5179.700000115.6V415 T416 W418 P451V415-G447 CarbonylContact C-O 3.56Å; V415-G447 CarbonylContact O-C 3.59Å; V415-G447 WeakPolarHBondContact O-CA 3.46Å; T416-G447 WeakPolarHBondContact CA-O 3.23Å; W418-G447 WeakPolarHBondContact O-CA 3.48Å; W418-G447 PolarHBondContact O-N 3.14Å; G447-P451 WeakPolarHBondContact O-CD 3.42Å; G447-P451 WeakPolarHBondContact O-CG 3.48Å
448E94.1Very high95.5Very high133 Ų13365 Ų6562%0.62132%0.322SS*.THydrogen-bonded Turntrans-77.1-34.9174.8-61.3-161.815800111.1T416 D446T416-E448 WeakPolarHBondContact O-CG 3.01Å; D446-E448 VanDerWaalsContact C-N 3.34Å; D446-E448 PolarHBondContact O-N 3.25Å; D446-E448 PolarHBondContact OD1-N 2.89Å
449T94.6Very high95.5Very high53 Ų5359.6 Ų59.633%0.32531%0.306SS..THydrogen-bonded Turntrans-84.1-37.2-177.8-51.40000112.6I445 D446 L452 L453I445-T449 HydrophobicContact CD1-CG2 4.28Å; D446-T449 PolarHBondContact O-N 3.27Å; D446-T449 WeakPolarHBondContact OD1-CB 3.24Å; D446-T449 PolarHBondContact OD1-N 3.5Å; D446-T449 PolarHBondContact OD1-OG1 3.29Å; T449-L452 WeakPolarHBondContact O-CA 3.49Å; T449-L452 WeakPolarHBondContact O-CB 3.34Å; T449-L452 PolarHBondContact O-N 3.39Å; T449-L453 HydrophobicContact CG2-CD2 4.03Å; T449-L453 PolarHBondContact O-N 3.48Å
450L95.4Very high95.4Very high6 Ų663 Ų633%0.03133%0.327CS..G310 helixtrans-51.8-41.3-179.1174.966.8000114.4V415 W418 V423 F426 F440 I445 D446 L452 L453 I472 V476V415-L450 HydrophobicContact CG1-CD2 4.14Å; W418-L450 HydrophobicContact CE3-CD2 3.88Å; W418-L450 HydrophobicContact CZ3-CD2 3.85Å; V423-L450 HydrophobicContact CG1-CD1 4.34Å; V423-L450 HydrophobicContact CG1-CD2 4.14Å; V423-L450 HydrophobicContact CG2-CB 4.44Å; V423-L450 HydrophobicContact CG2-CD2 3.98Å; F426-L450 HydrophobicContact CD1-CD2 4.17Å; F426-L450 HydrophobicContact CE1-CD2 4.18Å; F440-L450 HydrophobicContact CE1-CD1 3.96Å; I445-L450 HydrophobicContact CG2-CB 4.03Å; I445-L450 HydrophobicContact CG2-CD1 4.46Å; D446-L450 VanDerWaalsContact O-CB 3.22Å; D446-L450 WeakPolarHBondContact O-CB 3.42Å; D446-L450 PolarHBondContact O-N 2.92Å; L450-L452 VanDerWaalsContact C-N 3.27Å; L450-L452 PolarHBondContact O-N 2.95Å; L450-L453 HydrophobicContact CD1-CD1 3.98Å; L450-I472 HydrophobicContact CD1-CG2 4.29Å; L450-V476 HydrophobicContact CD1-CG2 3.8Å; L450-V476 HydrophobicContact CD2-CG2 3.84Å; L450-V476 HydrophobicContact CG-CG1 4.34Å; L450-V476 HydrophobicContact CG-CG2 3.71Å
451P93Very high95.2Very high42 Ų4267.8 Ų67.827%0.27335%0.352SS..G310 helixtrans-65-21.3172.6-26.837.4000115.8V415 G447 L480V415-P451 HydrophobicContact CG1-CG 4.19Å; G447-P451 WeakPolarHBondContact O-CD 3.42Å; G447-P451 WeakPolarHBondContact O-CG 3.48Å; P451-L480 HydrophobicContact CB-CD1 3.74Å; P451-L480 HydrophobicContact CG-CD1 4Å; P451-L480 HydrophobicContact CG-CD2 4.15Å
452L93.6Very high95.1Very high132 Ų13262.5 Ų62.569%0.69133%0.333SS*.G310 helixtrans-90.7-12.9-174.6-54.2178.9000112.7T449 L450 T454T449-L452 WeakPolarHBondContact O-CA 3.49Å; T449-L452 WeakPolarHBondContact O-CB 3.34Å; T449-L452 PolarHBondContact O-N 3.39Å; L450-L452 VanDerWaalsContact C-N 3.27Å; L450-L452 PolarHBondContact O-N 2.95Å; L452-T454 PolarHBondContact O-N 3.46Å
453L94.7Very high95Very high18 Ų1859.4 Ų59.49%0.09433%0.333CS..  trans-66.1116.2-176.1-52-179.8000111.7F440 I445 T449 L450 L458 M462F440-L453 HydrophobicContact CE1-CD1 3.86Å; F440-L453 HydrophobicContact CZ-CD1 4.42Å; I445-L453 HydrophobicContact CD1-CD2 4.17Å; I445-L453 HydrophobicContact CG2-CD1 3.91Å; T449-L453 HydrophobicContact CG2-CD2 4.03Å; T449-L453 PolarHBondContact O-N 3.48Å; L450-L453 HydrophobicContact CD1-CD1 3.98Å; L453-L458 HydrophobicContact CB-CD1 4.44Å; L453-L458 HydrophobicContact CB-CG 4.32Å; L453-L458 HydrophobicContact CD1-CD2 4.15Å; L453-M462 HydrophobicContact CD1-CE 4.03Å; L453-M462 HydrophobicContact CD2-CE 4.13Å
454T94.7Very high95Very high74 Ų7454.7 Ų54.745%0.45431%0.311SS..  trans-76163.1173.568.10000111.1L452 E456 H457 L458L452-T454 PolarHBondContact O-N 3.46Å; T454-E456 VanDerWaalsContact C-N 3.34Å; T454-H457 PolarHBondContact O-N 2.69Å; T454-H457 VanDerWaalsContact OG1-CB 3.29Å; T454-H457 WeakPolarHBondContact OG1-CB 3.44Å; T454-H457 PolarHBondContact OG1-N 2.75Å; T454-H457 VanDerWaalsContact OG1-N 3.07Å; T454-L458 WeakPolarHBondContact O-CG 3.5Å; T454-L458 PolarHBondContact O-N 2.72Å; T454-L458 VanDerWaalsContact O-N 3.12Å
455E94.4Very high95.1Very high63 Ų6358.9 Ų58.929%0.29432%0.319SS..Hα-helixtrans-61.5-44.6173.3-167.5164.7125.300111.7H457 L458 L459 L466 L470 R473E455-H457 VanDerWaalsContact C-N 3.31Å; E455-H457 PolarHBondContact O-N 3.36Å; E455-L458 PolarHBondContact O-N 3.06Å; E455-L459 HydrophobicContact CG-CD1 4.04Å; E455-L459 HydrophobicContact CG-CG 4.47Å; E455-L459 WeakPolarHBondContact O-CB 3.47Å; E455-L459 VanDerWaalsContact O-CG 3.25Å; E455-L459 WeakPolarHBondContact O-CG 3.48Å; E455-L459 PolarHBondContact O-N 3.5Å; E455-L466 HydrophobicContact CG-CD1 4.42Å; E455-L470 WeakPolarHBondContact OE2-CD2 3.35Å; E455-R473 IonicContact OE2-CZ 2.68Å; E455-R473 IonicContact OE2-NH1 3.18Å; E455-R473 PolarHBondContact OE2-NH1 3.46Å
456E94.9Very high95Very high140 Ų14062.8 Ų62.865%0.65434%0.339SS*.Hα-helixtrans-56.4-42.6174.2-179.8176.5-160.200112.2T454 L459 T460T454-E456 VanDerWaalsContact C-N 3.34Å; E456-L459 PolarHBondContact O-N 3.28Å; E456-T460 WeakPolarHBondContact O-CA 3.47Å; E456-T460 WeakPolarHBondContact O-CB 3.41Å; E456-T460 PolarHBondContact O-N 2.74Å; E456-T460 PolarHBondContact O-OG1 2.95Å; E456-T460 VanDerWaalsContact O-OG1 3.11Å
457H96.1Very high94.9Very high54 Ų5462.3 Ų62.325%0.2535%0.347CS..Iπ-helixtrans-68.9-39.2-179.9-17670000112.4T454 E455 N461 M462T454-H457 PolarHBondContact O-N 2.69Å; T454-H457 VanDerWaalsContact OG1-CB 3.29Å; T454-H457 WeakPolarHBondContact OG1-CB 3.44Å; T454-H457 PolarHBondContact OG1-N 2.75Å; T454-H457 VanDerWaalsContact OG1-N 3.07Å; E455-H457 VanDerWaalsContact C-N 3.31Å; E455-H457 PolarHBondContact O-N 3.36Å; H457-N461 WeakPolarHBondContact ND1-CB 3.46Å; H457-N461 VanDerWaalsContact ND1-CG 3.33Å; H457-N461 PolarHBondContact ND1-OD1 3.1Å; H457-N461 WeakPolarHBondContact O-CB 3.49Å; H457-N461 PolarHBondContact O-N 2.89Å; H457-M462 WeakPolarHBondContact CD2-CE 3.32Å; H457-M462 WeakPolarHBondContact NE2-CE 3.29Å; H457-M462 PolarHBondContact O-N 3.2Å
458L96.5Very high95Very high1 Ų163.1 Ų63.11%0.00535%0.352CS..Iπ-helixtrans-63.4-44.2173.1-70.9159.9000111.8F440 L453 T454 E455 M462 G463 L464 A469 R473F440-L458 HydrophobicContact CE1-CD2 4.5Å; F440-L458 HydrophobicContact CE2-CD2 4.33Å; F440-L458 HydrophobicContact CZ-CD2 3.65Å; L453-L458 HydrophobicContact CB-CD1 4.44Å; L453-L458 HydrophobicContact CB-CG 4.32Å; L453-L458 HydrophobicContact CD1-CD2 4.15Å; T454-L458 WeakPolarHBondContact O-CG 3.5Å; T454-L458 PolarHBondContact O-N 2.72Å; T454-L458 VanDerWaalsContact O-N 3.12Å; E455-L458 PolarHBondContact O-N 3.06Å; L458-M462 HydrophobicContact CD2-CE 3.78Å; L458-M462 HydrophobicContact CD2-SD 4.18Å; L458-M462 HydrophobicContact CG-CE 4.34Å; L458-M462 CarbonylContact O-C 3.36Å; L458-M462 WeakPolarHBondContact O-CB 3.42Å; L458-G463 PolarHBondContact O-N 3.28Å; L458-L464 HydrophobicContact CB-CD2 4.47Å; L458-L464 HydrophobicContact CD2-CD2 4.01Å; L458-L464 WeakPolarHBondContact O-CB 3.39Å; L458-L464 PolarHBondContact O-N 3.23Å; L458-A469 HydrophobicContact CB-CB 3.89Å; L458-A469 HydrophobicContact CD1-CB 4.34Å; L458-R473 HydrophobicContact CD1-CG 3.51Å
459L96.4Very high95.1Very high59 Ų5956.8 Ų56.831%0.30932%0.322SS..Iπ-helixtrans-70-50.2179.4-67.8173.6000112.5E455 E456 G463 L464 L466 A469E455-L459 HydrophobicContact CG-CD1 4.04Å; E455-L459 HydrophobicContact CG-CG 4.47Å; E455-L459 WeakPolarHBondContact O-CB 3.47Å; E455-L459 VanDerWaalsContact O-CG 3.25Å; E455-L459 WeakPolarHBondContact O-CG 3.48Å; E455-L459 PolarHBondContact O-N 3.5Å; E456-L459 PolarHBondContact O-N 3.28Å; L459-G463 VanDerWaalsContact O-CA 3.25Å; L459-G463 WeakPolarHBondContact O-CA 3.44Å; L459-G463 PolarHBondContact O-N 3.33Å; L459-L464 VanDerWaalsContact CD2-O 3.26Å; L459-L464 WeakPolarHBondContact CD2-O 3.04Å; L459-L466 HydrophobicContact CD1-CD1 4.24Å; L459-L466 HydrophobicContact CD2-CB 4.18Å; L459-L466 HydrophobicContact CD2-CD1 4.25Å; L459-A469 HydrophobicContact CD2-CB 4.28Å
460T93.8Very high95.2Very high104 Ų10457.1 Ų57.164%0.63832%0.322SS*.Iπ-helixtrans-92.5-42.6-165.7-54.70000113E456E456-T460 WeakPolarHBondContact O-CA 3.47Å; E456-T460 WeakPolarHBondContact O-CB 3.41Å; E456-T460 PolarHBondContact O-N 2.74Å; E456-T460 PolarHBondContact O-OG1 2.95Å; E456-T460 VanDerWaalsContact O-OG1 3.11Å
461N93.4Very high95.2Very high100 Ų10061.1 Ų61.154%0.53534%0.339SS..Iπ-helixtrans-89.2-35-178.1-62.4106.8000112.6H457H457-N461 WeakPolarHBondContact ND1-CB 3.46Å; H457-N461 VanDerWaalsContact ND1-CG 3.33Å; H457-N461 PolarHBondContact ND1-OD1 3.1Å; H457-N461 WeakPolarHBondContact O-CB 3.49Å; H457-N461 PolarHBondContact O-N 2.89Å
462M94.3Very high95.3Very high11 Ų1159.2 Ų59.25%0.05433%0.326CS..SBendtrans-99.9-6.3178.2-73.9-179.6-103.500114.5V439 F440 Q443 L453 H457 L458 L464V439-M462 HydrophobicContact CG1-CB 3.82Å; V439-M462 HydrophobicContact CG1-CG 3.78Å; F440-M462 HydrophobicContact CD2-SD 4.33Å; F440-M462 HydrophobicContact CE2-SD 4.06Å; F440-M462 HydrophobicContact CZ-SD 4.19Å; Q443-M462 HydrophobicContact CG-CG 4.07Å; L453-M462 HydrophobicContact CD1-CE 4.03Å; L453-M462 HydrophobicContact CD2-CE 4.13Å; H457-M462 WeakPolarHBondContact CD2-CE 3.32Å; H457-M462 WeakPolarHBondContact NE2-CE 3.29Å; H457-M462 PolarHBondContact O-N 3.2Å; L458-M462 HydrophobicContact CD2-CE 3.78Å; L458-M462 HydrophobicContact CD2-SD 4.18Å; L458-M462 HydrophobicContact CG-CE 4.34Å; L458-M462 CarbonylContact O-C 3.36Å; L458-M462 WeakPolarHBondContact O-CB 3.42Å; M462-L464 VanDerWaalsContact C-N 3.27Å; M462-L464 HydrophobicContact CB-CD1 3.54Å; M462-L464 PolarHBondContact O-N 3.46Å
463G94.3Very high95.4Very high55 Ų5556.7 Ų56.757%0.56731%0.308SS*.  trans67.621.3176.300000114.8L458 L459L458-G463 PolarHBondContact O-N 3.28Å; L459-G463 VanDerWaalsContact O-CA 3.25Å; L459-G463 WeakPolarHBondContact O-CA 3.44Å; L459-G463 PolarHBondContact O-N 3.33Å
464L96.3Very high95.3Very high7 Ų757.2 Ų57.24%0.03732%0.315CS..  trans-68.1146.5177.8-86.668.7000111.1Y436 F440 L458 L459 M462 P468 A469 I472Y436-L464 HydrophobicContact CD1-CD1 3.6Å; Y436-L464 HydrophobicContact CD1-CG 3.58Å; Y436-L464 HydrophobicContact CD2-CG 4.15Å; Y436-L464 HydrophobicContact CE1-CB 4.34Å; Y436-L464 HydrophobicContact CE1-CD1 4.2Å; Y436-L464 HydrophobicContact CE1-CG 3.85Å; Y436-L464 HydrophobicContact CE2-CG 4.41Å; Y436-L464 HydrophobicContact CG-CD1 3.96Å; Y436-L464 HydrophobicContact CG-CD2 4.32Å; Y436-L464 HydrophobicContact CG-CG 3.73Å; F440-L464 HydrophobicContact CE2-CD1 4.34Å; F440-L464 HydrophobicContact CE2-CD2 4.23Å; L458-L464 HydrophobicContact CB-CD2 4.47Å; L458-L464 HydrophobicContact CD2-CD2 4.01Å; L458-L464 WeakPolarHBondContact O-CB 3.39Å; L458-L464 PolarHBondContact O-N 3.23Å; L459-L464 VanDerWaalsContact CD2-O 3.26Å; L459-L464 WeakPolarHBondContact CD2-O 3.04Å; M462-L464 VanDerWaalsContact C-N 3.27Å; M462-L464 HydrophobicContact CB-CD1 3.54Å; M462-L464 PolarHBondContact O-N 3.46Å; L464-P468 HydrophobicContact CD2-CB 4.27Å; L464-A469 HydrophobicContact CB-CB 4.18Å; L464-A469 HydrophobicContact CD2-CB 4.35Å; L464-I472 HydrophobicContact CD2-CD1 3.66Å
465K97Very high95.2Very high126 Ų12656.5 Ų56.555%0.54831%0.306SS..  trans-70.4150.3164.2-61159.4-162.7146.90108.8E435 Y436 G467 P468 A469E435-K465 IonicContact OE1-NZ 2.74Å; E435-K465 PolarHBondContact OE1-NZ 3.08Å; Y436-K465 VanDerWaalsContact OH-CD 3.26Å; Y436-K465 WeakPolarHBondContact OH-CD 3.49Å; Y436-K465 WeakPolarHBondContact OH-CE 3.49Å; Y436-K465 WeakPolarHBondContact OH-CG 3.49Å; Y436-K465 PolarHBondContact OH-N 3.24Å; Y436-K465 PolarHBondContact OH-NZ 2.99Å; K465-G467 VanDerWaalsContact C-N 3.28Å; K465-G467 PolarHBondContact O-N 3.49Å; K465-P468 HydrophobicContact CB-CG 4.22Å; K465-P468 VanDerWaalsContact O-CD 3.25Å; K465-P468 WeakPolarHBondContact O-CD 3.27Å; K465-A469 PolarHBondContact O-N 3.33Å
466L95.6Very high95.1Very high89 Ų8954 Ų5447%0.46630%0.295SS..Hα-helixtrans-55.3-38.3-177-176.563.6000113.9E455 L459 A469 L470E455-L466 HydrophobicContact CG-CD1 4.42Å; L459-L466 HydrophobicContact CD1-CD1 4.24Å; L459-L466 HydrophobicContact CD2-CB 4.18Å; L459-L466 HydrophobicContact CD2-CD1 4.25Å; L466-A469 PolarHBondContact O-N 3.39Å; L466-L470 HydrophobicContact CD1-CD1 3.9Å; L466-L470 HydrophobicContact CD1-CG 3.96Å; L466-L470 HydrophobicContact CD2-CD1 4.45Å; L466-L470 HydrophobicContact CG-CD1 3.79Å; L466-L470 HydrophobicContact CG-CG 4.27Å; L466-L470 WeakPolarHBondContact O-CB 3.48Å; L466-L470 VanDerWaalsContact O-CG 3.28Å; L466-L470 WeakPolarHBondContact O-CG 3.36Å; L466-L470 PolarHBondContact O-N 3.36Å
467G96.1Very high94.9Very high42 Ų4248.2 Ų48.243%0.43327%0.271SS..Hα-helixtrans-59-60.1176.800000113.4K465 A469 L470 K471K465-G467 VanDerWaalsContact C-N 3.28Å; K465-G467 PolarHBondContact O-N 3.49Å; G467-A469 PolarHBondContact O-N 2.86Å; G467-L470 PolarHBondContact O-N 3.37Å; G467-K471 WeakPolarHBondContact O-CB 3.4Å; G467-K471 WeakPolarHBondContact O-CG 3.05Å; G467-K471 PolarHBondContact O-N 3.34Å
468P96.4Very high94.6Very high16 Ų1654.4 Ų54.410%0.10429%0.292CS..Hα-helixtrans-51.2-45.9170.4-30.735.1000114.5Y436 L464 K465 L470 K471 I472Y436-P468 HydrophobicContact CD2-CB 3.97Å; Y436-P468 HydrophobicContact CD2-CG 4.4Å; Y436-P468 HydrophobicContact CE2-CB 3.52Å; Y436-P468 HydrophobicContact CE2-CG 3.52Å; L464-P468 HydrophobicContact CD2-CB 4.27Å; K465-P468 HydrophobicContact CB-CG 4.22Å; K465-P468 VanDerWaalsContact O-CD 3.25Å; K465-P468 WeakPolarHBondContact O-CD 3.27Å; P468-L470 PolarHBondContact O-N 3.47Å; P468-K471 WeakPolarHBondContact O-CB 3.38Å; P468-K471 PolarHBondContact O-N 3.06Å; P468-I472 WeakPolarHBondContact O-CG1 3.4Å; P468-I472 PolarHBondContact O-N 3.47Å
469A96.7Very high94.2Very high0 Ų059.4 Ų59.40%031%0.311CS..Hα-helixtrans-59.7-48.6179.100000112L458 L459 L464 K465 L466 G467 I472 R473L458-A469 HydrophobicContact CB-CB 3.89Å; L458-A469 HydrophobicContact CD1-CB 4.34Å; L459-A469 HydrophobicContact CD2-CB 4.28Å; L464-A469 HydrophobicContact CB-CB 4.18Å; L464-A469 HydrophobicContact CD2-CB 4.35Å; K465-A469 PolarHBondContact O-N 3.33Å; L466-A469 PolarHBondContact O-N 3.39Å; G467-A469 PolarHBondContact O-N 2.86Å; A469-I472 PolarHBondContact O-N 3.27Å; A469-R473 WeakPolarHBondContact O-CG 3.49Å; A469-R473 PolarHBondContact O-N 2.86Å
470L95.9Very high93.7Very high60 Ų6059 Ų5931%0.31431%0.309SS..Hα-helixtrans-64.6-38.9176.3-70.5172.6000112.5E455 L466 G467 P468 A474 Y485E455-L470 WeakPolarHBondContact OE2-CD2 3.35Å; L466-L470 HydrophobicContact CD1-CD1 3.9Å; L466-L470 HydrophobicContact CD1-CG 3.96Å; L466-L470 HydrophobicContact CD2-CD1 4.45Å; L466-L470 HydrophobicContact CG-CD1 3.79Å; L466-L470 HydrophobicContact CG-CG 4.27Å; L466-L470 WeakPolarHBondContact O-CB 3.48Å; L466-L470 VanDerWaalsContact O-CG 3.28Å; L466-L470 WeakPolarHBondContact O-CG 3.36Å; L466-L470 PolarHBondContact O-N 3.36Å; G467-L470 PolarHBondContact O-N 3.37Å; P468-L470 PolarHBondContact O-N 3.47Å; L470-A474 VanDerWaalsContact O-CB 3.23Å; L470-A474 WeakPolarHBondContact O-CB 3.49Å; L470-A474 PolarHBondContact O-N 2.98Å; L470-Y485 WeakPolarHBondContact CD2-OH 3.49Å
471K95.6Very high92.7Very high90 Ų9057 Ų5739%0.39131%0.309SS..Hα-helixtrans-58.3-49.3175-80.9177173-177.60111.7S431 G467 P468 A474 Q475S431-K471 PolarHBondContact O-NZ 3.47Å; G467-K471 WeakPolarHBondContact O-CB 3.4Å; G467-K471 WeakPolarHBondContact O-CG 3.05Å; G467-K471 PolarHBondContact O-N 3.34Å; P468-K471 WeakPolarHBondContact O-CB 3.38Å; P468-K471 PolarHBondContact O-N 3.06Å; K471-A474 PolarHBondContact O-N 3.46Å; K471-Q475 VanDerWaalsContact O-CG 3.28Å; K471-Q475 WeakPolarHBondContact O-CG 3.46Å; K471-Q475 PolarHBondContact O-N 2.97Å; K471-Q475 VanDerWaalsContact O-N 3.07Å
472I95.4Very high91Very high2 Ų260 Ų601%0.0131%0.312CS..Hα-helixtrans-63.8-51.7-179.5-66.5164.5000109.7V427 L430 F440 L450 L464 P468 A469 A474 Q475 V476V427-I472 HydrophobicContact CG1-CD1 4.08Å; V427-I472 HydrophobicContact CG2-CD1 4.33Å; L430-I472 HydrophobicContact CD1-CG1 3.91Å; F440-I472 HydrophobicContact CE2-CD1 3.99Å; F440-I472 HydrophobicContact CZ-CD1 3.87Å; F440-I472 HydrophobicContact CZ-CG2 4.27Å; L450-I472 HydrophobicContact CD1-CG2 4.29Å; L464-I472 HydrophobicContact CD2-CD1 3.66Å; P468-I472 WeakPolarHBondContact O-CG1 3.4Å; P468-I472 PolarHBondContact O-N 3.47Å; A469-I472 PolarHBondContact O-N 3.27Å; I472-A474 VanDerWaalsContact C-N 3.32Å; I472-A474 PolarHBondContact O-N 2.74Å; I472-Q475 PolarHBondContact O-N 3.07Å; I472-Q475 VanDerWaalsContact O-N 3.15Å; I472-V476 HydrophobicContact CG2-CG2 4.25Å; I472-V476 WeakPolarHBondContact O-CG2 3.48Å; I472-V476 PolarHBondContact O-N 3.4Å
473R93.9Very high88.7Confident80 Ų8065.2 Ų65.230%0.30235%0.345SS..Hα-helixtrans-56.1-43.5178.3-68.7-178.876.6-130.3-8.3112.7E455 L458 A469 A477 Y485E455-R473 IonicContact OE2-CZ 2.68Å; E455-R473 IonicContact OE2-NH1 3.18Å; E455-R473 PolarHBondContact OE2-NH1 3.46Å; L458-R473 HydrophobicContact CD1-CG 3.51Å; A469-R473 WeakPolarHBondContact O-CG 3.49Å; A469-R473 PolarHBondContact O-N 2.86Å; R473-A477 VanDerWaalsContact O-CB 3.31Å; R473-A477 WeakPolarHBondContact O-CB 3.42Å; R473-A477 PolarHBondContact O-N 3.14Å; R473-Y485 HydrophobicContact CB-CE2 4.21Å; R473-Y485 PolarHBondContact NH1-OH 2.9Å
474A93Very high86.6Confident29 Ų2970.7 Ų70.724%0.2435%0.353CS..Hα-helixtrans-64.9-41.7178.300000112.5L470 K471 I472 A477 R478L470-A474 VanDerWaalsContact O-CB 3.23Å; L470-A474 WeakPolarHBondContact O-CB 3.49Å; L470-A474 PolarHBondContact O-N 2.98Å; K471-A474 PolarHBondContact O-N 3.46Å; I472-A474 VanDerWaalsContact C-N 3.32Å; I472-A474 PolarHBondContact O-N 2.74Å; A474-A477 PolarHBondContact O-N 2.68Å; A474-R478 WeakPolarHBondContact O-CG 3.43Å; A474-R478 PolarHBondContact O-N 3.42Å
475Q93.1Very high84.3Confident59 Ų5975.3 Ų75.328%0.27637%0.371SS..Hα-helixtrans-72.5-36.4179.6-66.5-71.611.700112.6F426 L430 K471 I472 R478 R479F426-Q475 HydrophobicContact CE2-CB 4.05Å; F426-Q475 HydrophobicContact CZ-CB 3.7Å; L430-Q475 HydrophobicContact CD1-CB 4.32Å; L430-Q475 HydrophobicContact CD1-CG 4.25Å; L430-Q475 HydrophobicContact CD2-CB 4.44Å; L430-Q475 HydrophobicContact CD2-CG 3.84Å; K471-Q475 VanDerWaalsContact O-CG 3.28Å; K471-Q475 WeakPolarHBondContact O-CG 3.46Å; K471-Q475 PolarHBondContact O-N 2.97Å; K471-Q475 VanDerWaalsContact O-N 3.07Å; I472-Q475 PolarHBondContact O-N 3.07Å; I472-Q475 VanDerWaalsContact O-N 3.15Å; Q475-R478 PolarHBondContact O-N 3.35Å; Q475-R479 PolarHBondContact O-N 3.49Å; Q475-R479 VanDerWaalsContact O-N 3.09Å
476V93.3Very high81.9Confident9 Ų975.3 Ų75.36%0.05538%0.381CS..Hα-helixtrans-62.8-46.4171.4172.80000110.5F426 L450 I472 R478 R479 L480F426-V476 HydrophobicContact CE1-CG2 3.74Å; F426-V476 HydrophobicContact CZ-CG2 4.04Å; L450-V476 HydrophobicContact CD1-CG2 3.8Å; L450-V476 HydrophobicContact CD2-CG2 3.84Å; L450-V476 HydrophobicContact CG-CG1 4.34Å; L450-V476 HydrophobicContact CG-CG2 3.71Å; I472-V476 HydrophobicContact CG2-CG2 4.25Å; I472-V476 WeakPolarHBondContact O-CG2 3.48Å; I472-V476 PolarHBondContact O-N 3.4Å; V476-R478 VanDerWaalsContact C-N 3.32Å; V476-R478 PolarHBondContact O-N 2.93Å; V476-R479 PolarHBondContact O-N 3.24Å; V476-L480 HydrophobicContact CG1-CD1 3.64Å; V476-L480 HydrophobicContact CG1-CG 4.34Å; V476-L480 WeakPolarHBondContact O-CB 3.4Å; V476-L480 VanDerWaalsContact O-CG 3.31Å; V476-L480 WeakPolarHBondContact O-CG 3.42Å; V476-L480 PolarHBondContact O-N 3.37Å
477A90.1Very high79.5Confident19 Ų1974.6 Ų74.616%0.15739%0.388CS..Hα-helixtrans-60.4-38.4176.400000113R473 A474 G481 R482 Y485R473-A477 VanDerWaalsContact O-CB 3.31Å; R473-A477 WeakPolarHBondContact O-CB 3.42Å; R473-A477 PolarHBondContact O-N 3.14Å; A474-A477 PolarHBondContact O-N 2.68Å; A477-G481 PolarHBondContact O-N 3.43Å; A477-R482 PolarHBondContact O-N 2.88Å; A477-Y485 HydrophobicContact CB-CD2 4.05Å
478R88.8Confident77Confident185 Ų18578 Ų7870%0.69841%0.405SS*.Hα-helixtrans-61.9-46.9173.6-74.8177.176.1-128.41112.2A474 Q475 V476 G481A474-R478 WeakPolarHBondContact O-CG 3.43Å; A474-R478 PolarHBondContact O-N 3.42Å; Q475-R478 PolarHBondContact O-N 3.35Å; V476-R478 VanDerWaalsContact C-N 3.32Å; V476-R478 PolarHBondContact O-N 2.93Å; R478-G481 PolarHBondContact O-N 2.9Å
479R88.2Confident74Confident106 Ų10686.7 Ų86.740%0.444%0.442SS..Hα-helixtrans-66.5-38-179.9-74.2-178.4172.2-93.86.7112.7V415 Q475 V476 G481V415-R479 HydrophobicContact CG2-CB 3.68Å; Q475-R479 PolarHBondContact O-N 3.49Å; Q475-R479 VanDerWaalsContact O-N 3.09Å; V476-R479 PolarHBondContact O-N 3.24Å; R479-G481 PolarHBondContact O-N 2.98Å
480L86.4Confident71.6Confident51 Ų5192.5 Ų92.527%0.26748%0.48SS..THydrogen-bonded Turntrans-72.7-0.1176.9-67.4169.1000114.5V415 P451 V476 R482V415-L480 HydrophobicContact CB-CD2 3.86Å; V415-L480 HydrophobicContact CG1-CD2 4.48Å; V415-L480 HydrophobicContact CG2-CD2 4.07Å; V415-L480 HydrophobicContact CG2-CG 4.34Å; P451-L480 HydrophobicContact CB-CD1 3.74Å; P451-L480 HydrophobicContact CG-CD1 4Å; P451-L480 HydrophobicContact CG-CD2 4.15Å; V476-L480 HydrophobicContact CG1-CD1 3.64Å; V476-L480 HydrophobicContact CG1-CG 4.34Å; V476-L480 WeakPolarHBondContact O-CB 3.4Å; V476-L480 VanDerWaalsContact O-CG 3.31Å; V476-L480 WeakPolarHBondContact O-CG 3.42Å; V476-L480 PolarHBondContact O-N 3.37Å; L480-R482 HydrophobicContact CB-CG 4.2Å; L480-R482 PolarHBondContact O-N 2.95Å
481G72.3Confident69Low61 Ų6196 Ų9663%0.62950%0.504SS*.THydrogen-bonded Turntrans63.78.9-175.700000114.9A477 R478 R479 V483A477-G481 PolarHBondContact O-N 3.43Å; R478-G481 PolarHBondContact O-N 2.9Å; R479-G481 PolarHBondContact O-N 2.98Å; G481-V483 PolarHBondContact O-N 3.21Å
482R57.8Low66.5Low162 Ų16296.1 Ų96.161%0.61152%0.521SS*.  trans-88.1100.5-171.8-71.2-170-173.9-171.34.3111.2A477 L480 F484A477-R482 PolarHBondContact O-N 2.88Å; L480-R482 HydrophobicContact CB-CG 4.2Å; L480-R482 PolarHBondContact O-N 2.95Å; R482-F484 HydrophobicContact CB-CD2 4.11Å; R482-F484 PolarHBondContact O-N 2.88Å
483V46.2Very low63.9Low121 Ų121103.4 Ų103.473%0.73356%0.559SS**  trans-72.469.6175.7-169.90000111.4G481 V486G481-V483 PolarHBondContact O-N 3.21Å; V483-V486 HydrophobicContact CG1-CG2 3.81Å
484F49.8Very low61.3Low170 Ų170105.3 Ų105.375%0.74658%0.582SS**  trans-115.9-2.1171-71.8-60.9000113.7R482 V486R482-F484 HydrophobicContact CB-CD2 4.11Å; R482-F484 PolarHBondContact O-N 2.88Å; F484-V486 VanDerWaalsContact C-N 3.29Å; F484-V486 PolarHBondContact O-N 3.32Å
485Y49.6Very low58.7Low104 Ų104112.1 Ų112.141%0.40861%0.613SS.*SBendtrans-90.930.7176.8-114.8-78.4000114.3L470 R473 A477L470-Y485 WeakPolarHBondContact CD2-OH 3.49Å; R473-Y485 HydrophobicContact CB-CE2 4.21Å; R473-Y485 PolarHBondContact NH1-OH 2.9Å; A477-Y485 HydrophobicContact CB-CD2 4.05Å
486V45.8Very low56Low126 Ų126118.4 Ų118.476%0.76464%0.643SS**SBendtrans-133.349.6170.3-74.70000111.3V483 F484V483-V486 HydrophobicContact CG1-CG2 3.81Å; F484-V486 VanDerWaalsContact C-N 3.29Å; F484-V486 PolarHBondContact O-N 3.32Å
487A45.7Very low53.6Low75 Ų75123.2 Ų123.262%0.6267%0.674SS**  trans-130.4150.416600000109.7
488S43.5Very low51.4Low113 Ų113128.3 Ų128.379%0.7971%0.706SS**SBendtrans76.129.8171.5-510000119.2
489F33.5Very low48.7Very low198 Ų198126.2 Ų126.287%0.86871%0.713SS**  trans-137.4105.2150.2-81.9-70.7000111.4V491F489-V491 PolarHBondContact O-N 3.16Å
490P45.7Very low45.9Very low123 Ų123127.7 Ų127.780%0.79973%0.729SS**  trans-73.9117.9168.329.8-31.1000109.5A492P490-A492 PolarHBondContact O-N 3.14Å; P490-A492 VanDerWaalsContact O-N 3.12Å
491V41.9Very low43.4Very low134 Ų134135.5 Ų135.581%0.81276%0.755SS**  trans-70.3106.7173.6178.50000108.7F489 L493F489-V491 PolarHBondContact O-N 3.16Å; V491-L493 PolarHBondContact O-N 3.06Å
492A43.6Very low41.4Very low92 Ų92136.8 Ų136.876%0.7676%0.76SS**PPolyproline II helixtrans-73122.1176.200000110.6P490P490-A492 PolarHBondContact O-N 3.14Å; P490-A492 VanDerWaalsContact O-N 3.12Å
493L40.2Very low40.9Very low154 Ų154134.6 Ų134.681%0.80677%0.766SS**PPolyproline II helixtrans-74.3138.9170.8-74.6167.1000110.4V491 L495V491-L493 PolarHBondContact O-N 3.06Å; L493-L495 PolarHBondContact O-N 3.07Å
494P40Very low40.1Very low121 Ų121136.9 Ų136.979%0.78677%0.769SS**PPolyproline II helixtrans-78.8118.5178.731-33000111.1
495L36.5Very low39.4Very low171 Ų171137.9 Ų137.990%0.89577%0.768SS**  trans-113.5138.1164.9-67.8178.8000109.9L493L493-L495 PolarHBondContact O-N 3.07Å
496Q37.1Very low38.3Very low192 Ų192140 Ų14090%0.89778%0.781SS**PPolyproline II helixtrans-96.1170.9-171.6-99.9-164.3-1.300112.9
497P42.6Very low37.6Very low109 Ų109141.6 Ų141.671%0.70879%0.785SS**PPolyproline II helixtrans-85.7172.1-147.534.4-38000116.1
498P44.6Very low36.8Very low126 Ų126141.1 Ų141.182%0.81879%0.787SS**PPolyproline II helixtrans-95.2155.8-159.736.7-36.9000116.4
499T31.6Very low36.1Very low141 Ų141142.4 Ų142.487%0.86579%0.79SS**  trans-101.790.2179.8-11.60000113.5
500L30.1Very low36Very low138 Ų138136.1 Ų136.172%0.72378%0.781SS**  trans42142.6134.2-99.7175.1000124.1
501R32.7Very low35.3Very low214 Ų214139.7 Ų139.781%0.80879%0.787SS**  trans83.4114.9168.3-52-66.9163.883.5-3.8114.8
502A32.1Very low34.8Very low89 Ų89141.8 Ų141.874%0.73679%0.788SS**  cis79.2156.824.200000115.5
503P46.1Very low34.9Very low115 Ų115141.8 Ų141.875%0.74778%0.781SS**  cis-128.2-172.6-9.341.8-26.2000113.4
504E29.1Very low34.5Very low170 Ų170141.5 Ų141.579%0.79478%0.779SS**  -172.3135.8119.7-101.3-168.2123.900114.7
505R35.1Very low34Very low190 Ų190140.8 Ų140.872%0.71778%0.777SS**  trans35.3114.1144.6-53.7-95.899.5115.5-17119.1
506E27.4Very low34.8Very low148 Ų148138.2 Ų138.269%0.69277%0.771SS**  69.2140.970.3-68.7-177.2122.500114.8
507L30.9Very low34.5Very low161 Ų161135.1 Ų135.184%0.84377%0.765SS**  cis-170.4147.7-15.7177.566.3000109.4
508G28.1Very low34Very low65 Ų65136 Ų13667%0.6777%0.769SS**  trans86.6172.6160.700000117.8
509T30.3Very low33.3Very low139 Ų139134.4 Ų134.485%0.85377%0.766SS**  cis-161.1136.9-7.3-74.50000110.8
510G30.1Very low33.2Very low66 Ų66134 Ų13468%0.6876%0.763SS**  trans64.5172.2154.700000119.1
511E31.9Very low33.1Very low198 Ų198132.4 Ų132.493%0.92576%0.764SS**  cis-155.5-170-26.3-136-174.9115.700110.3
512Q31.6Very low33.7Very low178 Ų178127.8 Ų127.883%0.83276%0.762SS**  trans-103.5-168.5-164.9-128.6-157.5-51.100114.1
513P45Very low33.6Very low92 Ų92135 Ų13560%0.59777%0.771SS**  -131.7-166.7-128.442.9-22000117.4
514L32.2Very low32.9Very low148 Ų148132.8 Ų132.878%0.77577%0.769SS**  trans8884156-68165.1000121.6
515S29.6Very low32.9Very low107 Ų107128.6 Ų128.675%0.74877%0.772SS**  69.1-170.3121.2-45.30000118.2
516P52.1Low32.7Very low116 Ų116123.1 Ų123.175%0.75377%0.774SS**  -134178.7-109.838.9-18.3000116.4
517T30.5Very low32.9Very low127 Ų127125.5 Ų125.578%0.77979%0.785SS**  trans166.8146.5130.4-72.30000113.2
518T32.2Very low32.8Very low129 Ų129122.3 Ų122.379%0.79178%0.782SS**  trans-27.1155.7174.858.10000118.8
519A29.8Very low33Very low91 Ų91127.8 Ų127.875%0.75280%0.795SS**  cis-165.6-177.949.100000117
520T29.7Very low32.9Very low133 Ų133125.9 Ų125.982%0.81679%0.794SS**  trans-52.2166.3167.714.20000114.3
521S28.5Very low32.8Very low105 Ų105126.3 Ų126.373%0.73480%0.798SS**  cis-155.8170.521-127.80000111.7
522P45.9Very low32.7Very low117 Ų117125 Ų12576%0.7679%0.792SS**  trans-89.4161.4-172.836.5-35.4000114.8
523Y30.4Very low32.6Very low240 Ų240122.7 Ų122.794%0.94179%0.79SS**  trans-117.2149.2167.4-114.7-88.8000110.8
524G29.7Very low31.9Very low68 Ų68123.7 Ų123.770%0.70180%0.799SS**  trans-153.6160.717400000112.1
525G30.1Very low32.9Very low83 Ų83121.4 Ų121.486%0.85679%0.793SS**  trans75.194.1172.300000115.5
526G30.8Very low33.1Very low74 Ų74123.4 Ų123.476%0.76379%0.788SS**  trans-94-177.2168.400000113.2
527H32Very low32.5Very low198 Ų198125.9 Ų125.992%0.91779%0.79SS**  trans-145.2163.6175.4-92-93.1000112.2
528A28.5Very low32.7Very low95 Ų95125.4 Ų125.479%0.78578%0.779SS**  trans74.678.916400000120
529L31.6Very low32.6Very low179 Ų179126.4 Ų126.494%0.93778%0.779SS**  15.4140.5126.9-84158.3000122.7
530A29.6Very low32.9Very low100 Ų100125 Ų12583%0.82677%0.774SS**  trans101.6141.4136.500000121.1
531G27Very low32.9Very low74 Ų74125.5 Ų125.576%0.76378%0.776SS**  trans90.7141.617200000114.9
532Q29.8Very low33.2Very low171 Ų171127.8 Ų127.880%0.79978%0.78SS**  cis164.7150.3-23.1-101.8-83.313.300105.2
533T29.5Very low32.7Very low129 Ų129127 Ų12779%0.79178%0.783SS**  trans61130160.849.50000123.3
534S30.8Very low33Very low113 Ų113122.5 Ų122.579%0.7978%0.775SS**  trans-85.6-167.9153.7-149.90000109.1
535P52Low33.3Very low100 Ų100126.9 Ų126.965%0.64978%0.781SS**  cis-148.7-172.86.546-25.7000118.5
536K35.7Very low34.1Very low150 Ų150129 Ų12965%0.65278%0.78SS**  trans64.9169.3155-77.5175.753134.50116.9E538K536-E538 VanDerWaalsContact CE-OE1 3.23Å; K536-E538 WeakPolarHBondContact CE-OE1 3.33Å; K536-E538 VanDerWaalsContact CE-OE2 3.31Å; K536-E538 WeakPolarHBondContact CE-OE2 3.46Å; K536-E538 IonicContact NZ-OE1 3.91Å; K536-E538 PolarHBondContact NZ-OE1 3.4Å; K536-E538 IonicContact NZ-OE2 2.73Å; K536-E538 PolarHBondContact NZ-OE2 3.45Å
537Q37.6Very low34Very low167 Ų167129.3 Ų129.378%0.7878%0.783SS**  cis-136-176.411.6-88.3-162.8-78.900111.6
538E35.6Very low34.2Very low118 Ų118124.4 Ų124.455%0.55178%0.777SS**  cis175.9159.2-40.2-162147.655.400110.1K536K536-E538 VanDerWaalsContact CE-OE1 3.23Å; K536-E538 WeakPolarHBondContact CE-OE1 3.33Å; K536-E538 VanDerWaalsContact CE-OE2 3.31Å; K536-E538 WeakPolarHBondContact CE-OE2 3.46Å; K536-E538 IonicContact NZ-OE1 3.91Å; K536-E538 PolarHBondContact NZ-OE1 3.4Å; K536-E538 IonicContact NZ-OE2 2.73Å; K536-E538 PolarHBondContact NZ-OE2 3.45Å
539N31.1Very low35.3Very low150 Ų150125.4 Ų125.480%0.80278%0.775SS**  trans65.4157.1177.3-102.10.1000118.7
540G34.3Very low35.6Very low61 Ų61124.1 Ų124.163%0.62977%0.769SS**  cis108.7126.5-14.400000117.3
541T30.7Very low36.8Very low143 Ų143124 Ų12488%0.87776%0.76SS**  trans160.3162.3144.4-70.10000113.1
542L34.7Very low37.2Very low153 Ų153125.3 Ų125.380%0.80176%0.757SS**  trans-122142.3-167.8-173.6178.1000110.4
543A35.6Very low37.9Very low101 Ų101125.9 Ų125.984%0.83576%0.76SS**  trans-155.5155.7162.800000114.9
544L35.5Very low39.1Very low146 Ų146124.6 Ų124.676%0.76475%0.754SS**  trans-94.7151.1-172.9-65.3144.5000113.5
545L36.3Very low39.6Very low160 Ų160126.9 Ų126.984%0.83876%0.756SS**  trans38164.6135.9-57.8178.4000121.5
546P46.8Very low39.3Very low127 Ų127131.4 Ų131.483%0.82579%0.788SS**  cis-131-173.71.843.1-27.4000114.5
547G28.5Very low39.4Very low80 Ų80130.5 Ų130.583%0.82580%0.795SS**  trans132.2138.9149.500000118.2
548A36.3Very low39.5Very low96 Ų96128.6 Ų128.679%0.79380%0.796SS**  trans-141.5-178.8164.100000106.6
549P53.3Low39.7Very low115 Ų115129.2 Ų129.275%0.74781%0.81SS**  cis-137.5169.2-0.943.7-27.8000116.2
550D37.6Very low40.3Very low153 Ų153127.9 Ų127.982%0.81881%0.81SS**  trans55.7-177.1149.9-121.518.7000118.6
551P54Low40.6Very low98 Ų98132.1 Ų132.164%0.63682%0.821SS**  cis-129172.7-13.738.5-21.6000116.4
552S36.6Very low41.3Very low100 Ų100131.4 Ų131.470%0.69982%0.818SS**  trans57.8119.6147.1600000122.1
553Q42.5Very low41.8Very low184 Ų184129.9 Ų129.986%0.8682%0.819SS**  26146.1121.4-80.2-170.64.300120.3
554P56.7Low42.2Very low102 Ų102132.1 Ų132.166%0.66282%0.818SS**  -157.6-171.356.645.1-24.5000118.4
555L40.8Very low42.8Very low160 Ų160130.9 Ų130.984%0.83882%0.822SS**  trans70.3140.4161.7-63173000117.5
556C44.2Very low43.4Very low196 Ų196128.3 Ų128.3100%1.32482%0.821SS**  cis-123.90-3.4-78.80000110.7

Retrieved 556 of 556 residues in 241.9 ms (Link to these results)