A0A3Q0KP22_SCHMA Loading...

Putative starp antigen

AlphaFold DB , UniProt , Accession A0A3Q0KP22, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,134 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
1M32.6Very low28.3Very low219 Ų219159.4 Ų159.4100%1.07983%0.832SS**  0107.80-84-176.6173.800107
2N23.7Very low28.1Very low168 Ų168159.2 Ų159.290%0.89883%0.83SS**  trans-100.5113.7-178.3-67.215.4000109.4
3C29.8Very low28Very low128 Ų128158.4 Ų158.487%0.86583%0.826SS**  trans-110.3114.6160.8-73.40000106
4A30Very low27.9Very low93 Ų93155.1 Ų155.177%0.76982%0.817SS**  trans-60147.6-169.700000113
5Q26.1Very low28Very low191 Ų191157.6 Ų157.689%0.89382%0.818SS**  trans-58.6138160.3-73.1160.8-76.600109
6I27Very low27.8Very low142 Ų142155.3 Ų155.373%0.72882%0.82SS**  trans-125.798.8158.3-60.9177.9000104.4
7S29.6Very low27.8Very low87 Ų87158.9 Ų158.961%0.60882%0.821SS**  trans-67.3156.1163.336.70000109.4
8I29.4Very low27.9Very low171 Ų171156.5 Ų156.588%0.87782%0.815SS**SBendtrans-110.972.9171.8-56178.5000107.1
9Q25.9Very low27.8Very low163 Ų163154.8 Ų154.876%0.76282%0.815SS**  trans-143.1148.7168.4-90.2169.6-36.600106
10E29.3Very low27.9Very low188 Ų188154.8 Ų154.888%0.87981%0.814SS**  trans64.2104.5-171.8-53-172.2146.300116.1
11Y27.9Very low28.1Very low203 Ų203154.5 Ų154.580%0.79681%0.813SS**  -154.956.4124-132.4-94.2000111.8T14Y11-T14 WeakPolarHBondContact CE1-OG1 3.22Å
12I26.1Very low27.8Very low157 Ų157153.4 Ų153.481%0.80580%0.802SS**  trans-80.5142.5158.8-69.2172.4000106.7
13L26.9Very low28.1Very low149 Ų149154 Ų15478%0.7880%0.803SS**  trans67.3109.6-176.6-61.3149.3000116.3
14T25.9Very low28Very low113 Ų113151.9 Ų151.969%0.69379%0.79SS**  174.567.3123.832.50000112.7Y11Y11-T14 WeakPolarHBondContact CE1-OG1 3.22Å
15K29.8Very low27.9Very low192 Ų192152.7 Ų152.784%0.83579%0.786SS**  trans-145104.8152.5-106.3-171.1178.8-176.30108.9Y17K15-Y17 PolarHBondContact O-N 3.36Å
16S24.9Very low28.1Very low121 Ų121150.9 Ų150.985%0.84678%0.782SS**  trans-73.7103.6173.633.80000109.9
17Y28.7Very low28.2Very low216 Ų216149.3 Ų149.385%0.84778%0.779SS**  trans-90.7114.3162.9-114.1-84.2000108.6K15 P19K15-Y17 PolarHBondContact O-N 3.36Å; Y17-P19 WeakPolarHBondContact O-CD 3.29Å
18T29.1Very low28.4Very low116 Ų116152.7 Ų152.771%0.71279%0.79SS**  trans-73.6119.6176.541.40000110.6I20T18-I20 PolarHBondContact O-N 3.25Å
19P26.1Very low28.3Very low124 Ų124150.8 Ų150.881%0.80578%0.781SS**  trans-75.1119.6170.330.6-31.5000109.3Y17 N21Y17-P19 WeakPolarHBondContact O-CD 3.29Å; P19-N21 PolarHBondContact O-N 3.26Å
20I30.4Very low28.6Very low155 Ų155148.6 Ų148.680%0.79578%0.784SS**  trans-78.3112.5175.2-67.2179.1000109.2T18T18-I20 PolarHBondContact O-N 3.25Å
21N31.3Very low28.4Very low149 Ų149145 Ų14580%0.79778%0.779SS**  trans45119.9157.9-65.1-6.8000120.2P19P19-N21 PolarHBondContact O-N 3.26Å
22K26.9Very low28.3Very low196 Ų196141.6 Ų141.685%0.85278%0.779SS**  trans-57.3142.5159.4-52.5166.7-177.5175.90110.4
23I28.7Very low28.5Very low179 Ų179143.5 Ų143.592%0.91879%0.785SS**  trans-113.1144.3134.7-65.5-179.2000105.8
24S27.6Very low28.3Very low84 Ų84144 Ų14459%0.58779%0.786SS**  trans-116.2150.6-164-178.20000111.5
25T27.5Very low28.5Very low111 Ų111146.2 Ų146.268%0.68179%0.792SS**  trans63.815015632.30000116.3
26D31.5Very low28.2Very low152 Ų152142.5 Ų142.581%0.81379%0.791SS**  cis-121.6169.614.4-99.7-52.4000115.9
27V29.1Very low28.4Very low109 Ų109143.1 Ų143.166%0.66179%0.785SS**  trans-101.6141.5177.1170.10000108.8
28D33Very low28.4Very low158 Ų158140.9 Ų140.985%0.84578%0.779SS**  trans-150.6152.5135.5-130.1-27.7000114
29N28.6Very low28.4Very low131 Ų131140 Ų14070%0.70178%0.778SS**  trans-107.1155.6-176.7-67.9-76.7000111.2
30S30.8Very low28.6Very low118 Ų118142.2 Ų142.283%0.82578%0.775SS**  -179.6144.2116.6400000115.7
31C25.5Very low28.6Very low113 Ų113141.3 Ų141.376%0.76477%0.772SS**  trans1.3123.8156.3-60.20000121.1
32T26.6Very low28.6Very low131 Ų131142.7 Ų142.780%0.80477%0.771SS**  5.5123.6121.653.10000118.4
33Q28.7Very low28.8Very low196 Ų196139 Ų13992%0.91676%0.764SS**  -150.6147.8127-120.6175.921.500112.4
34I24.5Very low28.9Very low159 Ų159140.7 Ų140.782%0.81576%0.759SS**  trans-89.2126.3170.4-61.9165.3000107.3
35I28.4Very low29Very low160 Ų160144.3 Ų144.382%0.82177%0.767SS**  trans-176.8144.8144.3-97.5149.8000108.5
36S24.9Very low29.2Very low115 Ų115148.5 Ų148.580%0.80478%0.779SS**  trans-96.1127173.9-59.40000110.7
37D29.1Very low29Very low134 Ų134149.6 Ų149.672%0.71778%0.781SS**  trans-158.1-176.4135.6-134.7-37.9000113.7
38K27.7Very low29Very low168 Ų168151.4 Ų151.473%0.7379%0.792SS**  trans-92.8136.2-156.3-63.3160.5-154.684.70115.2
39S29Very low28.8Very low98 Ų98147.8 Ų147.869%0.68578%0.784SS**  87.3147.8129.1810000122.4
40K31.1Very low28.7Very low170 Ų170149.9 Ų149.974%0.73979%0.792SS**  trans76106.2148.3-75.5170.7179.3175.30120.5
41N29.3Very low28.6Very low137 Ų137149.9 Ų149.973%0.73379%0.787SS**  89.3126.7118-65.9-4.8000121.5
42K31.8Very low28.5Very low178 Ų178151.3 Ų151.377%0.77479%0.786SS**  96.798.8125.8-94.4-163.2167.5-166.90122.2
43T31.5Very low28.6Very low117 Ų117152.8 Ų152.872%0.71879%0.789SS**  69.6148.8116.353.60000123.1
44R30.5Very low28.6Very low215 Ų215149.9 Ų149.981%0.81178%0.775SS**  trans84.3123.7170.6-64.2-159146.3156.4-7.6115.4
45E29.2Very low28.7Very low160 Ų160149.9 Ų149.975%0.74877%0.772SS**  cis76105.645.5-65.2178.6136.100113.2
46E32.3Very low28.7Very low200 Ų200147.3 Ų147.394%0.93577%0.768SS**  -155.2149.9128-121.7165.9-160.800110
47M26.8Very low28.9Very low174 Ų174148.8 Ų148.886%0.85777%0.766SS**  trans-116.2139.7-179.5-69.117466.400110
48V30.5Very low28.9Very low148 Ų148151.7 Ų151.790%0.89778%0.776SS**  trans-134.6127.5157.6-177.50000108.3
49A27.7Very low29Very low82 Ų82151 Ų15168%0.67878%0.78SS**  trans-140.3131.117800000110.1
50M26.7Very low29.1Very low175 Ų175153.4 Ų153.486%0.86279%0.79SS**  trans-179.4141.1172.1-104.1-167.2-6500106.9
51T28.9Very low29.1Very low118 Ų118153.5 Ų153.572%0.72479%0.793SS**  cis-149.8160.7-2.3-57.30000109
52L24.5Very low29Very low142 Ų142151.9 Ų151.974%0.74379%0.793SS**  trans-65.9163.6171.7-59.298.2000113.1
53L28.2Very low28.9Very low163 Ų163150.4 Ų150.485%0.85379%0.793SS**  -160.5154.3114.9-106.4166.4000113.2
54Q27.6Very low28.7Very low134 Ų134155.4 Ų155.463%0.62680%0.801SS**  trans-81.6-178.1174.4-60139.8-100.900110.1
55E26.8Very low28.6Very low160 Ų160152.6 Ų152.675%0.74880%0.798SS**  cis-155-179.44-139.3136.7-127.300105.5
56S29.6Very low28.7Very low106 Ų106150.4 Ų150.474%0.74179%0.792SS**  cis-162.2178.824.751.40000110.6
57N27.6Very low28.8Very low145 Ų145149 Ų14978%0.77579%0.789SS**  trans-107154173.1-47.4-58.7000111.7
58E30.4Very low29.1Very low196 Ų196147.3 Ų147.392%0.91678%0.783SS**  trans-134.4132.2144.3-76-163152.600109.4
59D28.4Very low29.2Very low154 Ų154145.3 Ų145.382%0.82477%0.768SS**  trans-87.5147.2176.2-66.3-75.7000111.1
60V32Very low29.3Very low147 Ų147147.8 Ų147.889%0.89178%0.777SS**  trans-126.4119.5161.3-179.90000109.1
61E30.1Very low29.7Very low173 Ų173147.9 Ų147.981%0.80877%0.773SS**  trans-85.8159.1-171.7-167.6171.3-162.700112.5
62S28.6Very low29.9Very low103 Ų103148.8 Ų148.872%0.7277%0.772SS**  trans49.9120.3160.261.20000119.8
63D29.3Very low30.3Very low146 Ų146152.5 Ų152.578%0.78178%0.783SS**  -154.4141.6114.3-136.4-17.6000113.9
64Y26.7Very low30.8Very low223 Ų223152.8 Ų152.888%0.87578%0.78SS**  trans-108.799.2-170.2-133.6-93.5000109.8
65M29.2Very low31.4Very low155 Ų155150.2 Ų150.276%0.76478%0.775SS**  trans-128.579.7-176.7-79.7-65165.900116.2
66N30.4Very low32.3Very low115 Ų115152 Ų15262%0.61578%0.781SS**  trans23.8108.9130.5-167.21.3000118.5N68N66-N68 PolarHBondContact O-N 3Å; N66-N68 WeakPolarHBondContact OD1-CB 3.35Å; N66-N68 PolarHBondContact OD1-ND2 2.85Å
67I34.4Very low33.3Very low171 Ų171150 Ų15088%0.87777%0.766SS**SBendtrans-79.743.7-176.1-43.3176.5000112.4
68N33Very low34Very low137 Ų137150 Ų15073%0.73377%0.772SS**  trans-13333.4-175.6-72.3-68.3000114.3N66N66-N68 PolarHBondContact O-N 3Å; N66-N68 WeakPolarHBondContact OD1-CB 3.35Å; N66-N68 PolarHBondContact OD1-ND2 2.85Å
69N32.5Very low34.5Very low107 Ų107148.6 Ų148.657%0.57277%0.765SS**  trans-139.7103.9176.6-163.5-9.4000113.3K71N69-K71 PolarHBondContact O-N 3.43Å
70P31.3Very low34.7Very low133 Ų133146.7 Ų146.786%0.86476%0.764SS**THydrogen-bonded Turntrans-82.945.2-170.836.1-38.1000113.7
71K34.9Very low35.2Very low178 Ų178145.7 Ų145.777%0.77476%0.761SS**THydrogen-bonded Turntrans-133.2-0.5-179.3-77.6-167.4172.6-174.10115.9N69 F73N69-K71 PolarHBondContact O-N 3.43Å; K71-F73 PolarHBondContact O-N 3.28Å
72L32.7Very low35.4Very low137 Ų137139.3 Ų139.372%0.71773%0.734SS**  trans-101.661.5-174.8-84157.9000113.6
73F32.2Very low36.1Very low220 Ų220143.2 Ų143.297%0.96574%0.741SS**  trans-119.968.4156-87.8-79.2000109.1K71K71-F73 PolarHBondContact O-N 3.28Å
74Q39.3Very low36.5Very low169 Ų169140.6 Ų140.679%0.7973%0.733SS**  trans-115.4131.4164.5-80.6-174.3-36.200108.5
75C39.6Very low36.6Very low79 Ų79137.8 Ų137.853%0.53473%0.728SS.*  trans-72.6133.2-178.5-170.40000110.8C77C75-C77 VanDerWaalsContact C-N 3.33Å; C75-C77 VanDerWaalsContact SG-SG 3.61Å
76K45.2Very low36.6Very low197 Ų197137.5 Ų137.586%0.85773%0.728SS**  trans-92.222.6175.6-70.6-170.1175.7-175.70113.5T78K76-T78 PolarHBondContact O-N 3.23Å; K76-T78 VanDerWaalsContact O-N 3.1Å
77C50.6Low36.6Very low65 Ų65139 Ų13944%0.43974%0.736SS.*  trans-61.8109.6171.2-90.40000110.8C75 Q79 C82C75-C77 VanDerWaalsContact C-N 3.33Å; C75-C77 VanDerWaalsContact SG-SG 3.61Å; C77-Q79 VanDerWaalsContact C-N 3.32Å; C77-C82 HydrophobicContact CB-CB 3.38Å; C77-C82 WeakPolarHBondContact CB-SG 3.23Å; C77-C82 WeakPolarHBondContact SG-CB 3.41Å; C77-C82 CovalentContact SG-SG 2.04Å; C77-C82 PolarHBondContact SG-SG 2.7Å
78T42.3Very low36.2Very low145 Ų145140.2 Ų140.289%0.8974%0.736SS**  trans-89.75.3173.447.40000113.5K76K76-T78 PolarHBondContact O-N 3.23Å; K76-T78 VanDerWaalsContact O-N 3.1Å
79Q42.3Very low36Very low166 Ų166143 Ų14378%0.77675%0.747SS**SBendtrans-122.4136.3170.4-65.8-177.6-1.600109.5C77C77-Q79 VanDerWaalsContact C-N 3.32Å
80S32.9Very low35.7Very low115 Ų115141.2 Ų141.280%0.80475%0.753SS**SBendtrans-113.5138.6174.757.80000110.1
81P42.6Very low35.4Very low126 Ų126142.1 Ų142.182%0.81876%0.756SS**SBendcis-76.9142.60.832-35000112.6
82C34Very low35Very low38 Ų38138.5 Ų138.526%0.25775%0.753SS.*  trans-99.4116.7175.3174.50000109C77 C84C77-C82 HydrophobicContact CB-CB 3.38Å; C77-C82 WeakPolarHBondContact CB-SG 3.23Å; C77-C82 WeakPolarHBondContact SG-CB 3.41Å; C77-C82 CovalentContact SG-SG 2.04Å; C77-C82 PolarHBondContact SG-SG 2.7Å; C82-C84 PolarHBondContact O-N 3.42Å; C82-C84 VanDerWaalsContact SG-SG 3.65Å
83E43.1Very low34.7Very low185 Ų185137.2 Ų137.286%0.86476%0.756SS**SBendtrans-69.54.9-172.2-59.9-172133.400115H85E83-H85 PolarHBondContact O-N 2.9Å
84C37.7Very low34.6Very low91 Ų91134.5 Ų134.562%0.61575%0.748SS**  trans-71.514.5-179.5-63.40000114.9C82C82-C84 PolarHBondContact O-N 3.42Å; C82-C84 VanDerWaalsContact SG-SG 3.65Å
85H29Very low33.9Very low165 Ų165132.3 Ų132.376%0.76474%0.742SS**  trans-137.975.9-178.2-81.8-61000113.2E83E83-H85 PolarHBondContact O-N 2.9Å
86L29.2Very low33.2Very low148 Ų148135.8 Ų135.878%0.77576%0.755SS**  trans-137.6131.7160.4-63.9172.9000107.7
87N30.4Very low32.4Very low146 Ų146133.5 Ų133.578%0.78176%0.758SS**  cis-141.9147.8-7.5-96.7-34.6000110
88K26.6Very low31.3Very low198 Ų198134.6 Ų134.686%0.86177%0.766SS**SBendtrans-152.6142.4167.8-157.1175-173.1179.50109.1
89M27Very low30.4Very low196 Ų196133.7 Ų133.797%0.96677%0.766SS**  trans75.4154.1-163.4-49.9-17717900113.6
90G27.6Very low29.8Very low68 Ų68134.2 Ų134.270%0.70177%0.765SS**  trans127.917.5170.800000118.9S92G90-S92 PolarHBondContact O-N 3.07Å
91T24.8Very low29.7Very low153 Ų153135.2 Ų135.294%0.93976%0.762SS**  trans-76.387.9172.950.60000111.3
92S25.8Very low29.1Very low101 Ų101137.9 Ų137.971%0.70677%0.768SS**  trans-149.6106.8177.458.20000114.3G90G90-S92 PolarHBondContact O-N 3.07Å
93S26.2Very low28.7Very low111 Ų111143.3 Ų143.378%0.77679%0.794SS**  trans72.3157.9159.7-146.80000119.5
94M29.6Very low27.9Very low162 Ų162139.2 Ų139.280%0.79879%0.786SS**  trans6599.7173.2-45.6-150.778.400115.4
95D25.7Very low27.4Very low124 Ų124139.4 Ų139.466%0.66379%0.789SS**  84.8121.954.9-67.8-53.2000114.6
96N25.2Very low27.3Very low152 Ų152141.2 Ų141.281%0.81380%0.795SS**  trans51.191.6151.1-58.3-41.7000119.8
97V28.3Very low27.2Very low149 Ų149142 Ų14290%0.90380%0.799SS**  trans-128.7139.7143.5-176.60000108.9
98S26.1Very low27.1Very low87 Ų87140 Ų14061%0.60879%0.789SS**  trans-93.6151.9-164.2-167.80000114.2K100S98-K100 VanDerWaalsContact C-N 3.31Å; S98-K100 PolarHBondContact O-N 3.42Å
99S24.7Very low27.1Very low127 Ų127136.6 Ų136.689%0.88879%0.79SS**THydrogen-bonded Turntrans-83.652.4-174.3-45.90000114
100K29.2Very low27.1Very low177 Ų177136.1 Ų136.177%0.7778%0.778SS**THydrogen-bonded Turntrans-138.4-18.6-174.6-81.5-164.9170.9-174.20119.4S98S98-K100 VanDerWaalsContact C-N 3.31Å; S98-K100 PolarHBondContact O-N 3.42Å
101D30.3Very low27.1Very low136 Ų136140.6 Ų140.673%0.72779%0.786SS**SBendtrans-108.226.2-158.5-55.3-55.2000116.2
102L29.7Very low27.3Very low181 Ų181142.7 Ų142.795%0.94878%0.781SS**  trans-138.476.7171.1-74.9178.5000111.8
103D27.1Very low27.3Very low152 Ų152144.4 Ų144.481%0.81378%0.783SS**  trans-118.1159.9163.8-159-12.3000108.8
104S26.5Very low27.3Very low99 Ų99146.2 Ų146.269%0.69278%0.784SS**SBendtrans73.2127.7-17876.30000119.5
105S26.1Very low27.1Very low96 Ų96147.5 Ų147.567%0.67179%0.785SS**  trans55.1120.6165.862.50000118.1
106F26.5Very low27.2Very low203 Ų203147.1 Ų147.189%0.8979%0.788SS**  -160.4157.562.3-101.6-88000112.5D108F106-D108 PolarHBondContact O-N 2.8Å
107D28.4Very low27.4Very low163 Ų163144.8 Ų144.887%0.87278%0.783SS**  trans-75.8110.7178.8-73.5-72000114.2
108D27.1Very low27.6Very low104 Ų104144.2 Ų144.256%0.55677%0.774SS**  trans-162.962.6152.8-146.7-18.8000113.6F106 R110F106-D108 PolarHBondContact O-N 2.8Å; D108-R110 VanDerWaalsContact C-N 3.25Å; D108-R110 VanDerWaalsContact CG-NE 3.27Å; D108-R110 PolarHBondContact O-N 3.27Å; D108-R110 WeakPolarHBondContact OD1-CG 3.36Å; D108-R110 IonicContact OD1-CZ 2.67Å; D108-R110 IonicContact OD1-NE 2.7Å; D108-R110 PolarHBondContact OD1-NE 3.29Å; D108-R110 IonicContact OD1-NH2 2.67Å; D108-R110 IonicContact OD2-CZ 2.66Å; D108-R110 VanDerWaalsContact OD2-CZ 3.27Å; D108-R110 IonicContact OD2-NE 2.99Å; D108-R110 PolarHBondContact OD2-NE 3.11Å; D108-R110 VanDerWaalsContact OD2-NE 3.14Å; D108-R110 IonicContact OD2-NH2 3.62Å; D108-R110 PolarHBondContact OD2-NH2 3.35Å
109S28.1Very low28.1Very low128 Ų128142.3 Ų142.390%0.89576%0.759SS**  trans-80.755.5-173.656.40000114.8
110R26.5Very low28.7Very low186 Ų186141.2 Ų141.270%0.70274%0.742SS**  trans-66.3134177.2-50.4-175.9-166.3-174.66.1112D108D108-R110 VanDerWaalsContact C-N 3.25Å; D108-R110 VanDerWaalsContact CG-NE 3.27Å; D108-R110 PolarHBondContact O-N 3.27Å; D108-R110 WeakPolarHBondContact OD1-CG 3.36Å; D108-R110 IonicContact OD1-CZ 2.67Å; D108-R110 IonicContact OD1-NE 2.7Å; D108-R110 PolarHBondContact OD1-NE 3.29Å; D108-R110 IonicContact OD1-NH2 2.67Å; D108-R110 IonicContact OD2-CZ 2.66Å; D108-R110 VanDerWaalsContact OD2-CZ 3.27Å; D108-R110 IonicContact OD2-NE 2.99Å; D108-R110 PolarHBondContact OD2-NE 3.11Å; D108-R110 VanDerWaalsContact OD2-NE 3.14Å; D108-R110 IonicContact OD2-NH2 3.62Å; D108-R110 PolarHBondContact OD2-NH2 3.35Å
111N27.4Very low29.2Very low162 Ų162134.1 Ų134.187%0.86672%0.717SS**  trans2593158.1-63.8-13.5000117.3
112K28Very low29.7Very low196 Ų196131.7 Ų131.785%0.85270%0.703SS**  trans-116.1139.8153.2-81.2-178.2175.8173.10110N114K112-N114 PolarHBondContact O-N 3.31Å
113D26.6Very low30.1Very low137 Ų137127.2 Ų127.273%0.73368%0.675SS**  trans-71.194.7-166.5-53.5-91.4000113F115D113-F115 HydrophobicContact CB-CD2 3.76Å; D113-F115 HydrophobicContact CB-CE2 3.82Å; D113-F115 PolarHBondContact O-N 2.79Å
114N25.8Very low31Very low150 Ų150122.6 Ų122.680%0.80265%0.647SS**  trans-69.979.1164.2-87-18.4000110.1K112 T116K112-N114 PolarHBondContact O-N 3.31Å; N114-T116 PolarHBondContact O-N 2.92Å
115F25.7Very low31.9Very low188 Ų188119.8 Ų119.883%0.82563%0.625SS**  trans-66.872.5158.6-81.1-87.3000109.4D113 S117D113-F115 HydrophobicContact CB-CD2 3.76Å; D113-F115 HydrophobicContact CB-CE2 3.82Å; D113-F115 PolarHBondContact O-N 2.79Å; F115-S117 PolarHBondContact O-N 3.18Å
116T28.3Very low32.8Very low117 Ų117118.3 Ų118.372%0.71862%0.618SS**  trans-59.3120.1162.540.30000107.8N114 I118N114-T116 PolarHBondContact O-N 2.92Å; T116-I118 PolarHBondContact O-N 3.05Å
117S29.2Very low33.5Very low102 Ų102113.6 Ų113.671%0.71360%0.602SS**  trans-6896-176.753.40000109.7F115 T119F115-S117 PolarHBondContact O-N 3.18Å; S117-T119 PolarHBondContact O-N 2.94Å
118I33.2Very low34.4Very low138 Ų138109 Ų10971%0.70858%0.579SS**  trans-57.3105.4174.8-64.7177.5000108.1T116 D122T116-I118 PolarHBondContact O-N 3.05Å; I118-D122 HydrophobicContact CG2-CB 4.06Å
119T35.6Very low34.9Very low47 Ų47111.5 Ų111.529%0.28859%0.586SS.*  trans-74.8167.2174.967.90000110S117 A121 D122 Y123S117-T119 PolarHBondContact O-N 2.94Å; T119-A121 PolarHBondContact O-N 3.06Å; T119-A121 WeakPolarHBondContact OG1-CB 3.47Å; T119-A121 PolarHBondContact OG1-N 3.15Å; T119-D122 VanDerWaalsContact CB-OD2 3.32Å; T119-D122 WeakPolarHBondContact CB-OD2 3.49Å; T119-D122 WeakPolarHBondContact CG2-OD2 3.45Å; T119-D122 PolarHBondContact N-OD2 3.32Å; T119-D122 PolarHBondContact O-N 3.11Å; T119-D122 PolarHBondContact OG1-N 3.37Å; T119-D122 PolarHBondContact OG1-OD2 3.15Å; T119-Y123 PolarHBondContact O-N 3.31Å
120L37.2Very low35.3Very low103 Ų103114.4 Ų114.454%0.53958%0.582SS.*Hα-helixtrans-61.9-26.6168-104.4152.7000111.8F124L120-F124 HydrophobicContact CD2-CE2 3.76Å; L120-F124 HydrophobicContact CD2-CZ 4.03Å; L120-F124 WeakPolarHBondContact O-CD2 3.48Å; L120-F124 WeakPolarHBondContact O-CG 3.42Å; L120-F124 PolarHBondContact O-N 3.34Å; L120-F124 VanDerWaalsContact O-N 3.15Å
121A39.6Very low35.6Very low29 Ų29111 Ų11124%0.2458%0.584CS.*Hα-helixtrans-69.8-45.2173.900000111.9T119 Y123 F124 D125T119-A121 PolarHBondContact O-N 3.06Å; T119-A121 WeakPolarHBondContact OG1-CB 3.47Å; T119-A121 PolarHBondContact OG1-N 3.15Å; A121-Y123 VanDerWaalsContact C-N 3.27Å; A121-Y123 PolarHBondContact O-N 2.97Å; A121-F124 CarbonylContact O-C 3.56Å; A121-F124 PolarHBondContact O-N 3.26Å; A121-D125 PolarHBondContact O-N 3.37Å
122D40.8Very low35.8Very low84 Ų84110.3 Ų110.345%0.44958%0.58SS.*Hα-helixtrans-57.8-40.1176.1-64.7-67000112I118 T119 D125 A126I118-D122 HydrophobicContact CG2-CB 4.06Å; T119-D122 VanDerWaalsContact CB-OD2 3.32Å; T119-D122 WeakPolarHBondContact CB-OD2 3.49Å; T119-D122 WeakPolarHBondContact CG2-OD2 3.45Å; T119-D122 PolarHBondContact N-OD2 3.32Å; T119-D122 PolarHBondContact O-N 3.11Å; T119-D122 PolarHBondContact OG1-N 3.37Å; T119-D122 PolarHBondContact OG1-OD2 3.15Å; D122-D125 PolarHBondContact O-N 3.09Å; D122-A126 PolarHBondContact O-N 3.48Å
123Y38.4Very low35.9Very low87 Ų87106.4 Ų106.434%0.34158%0.575SS.*Hα-helixtrans-66.7-38.9175.3-178.9-104.7000112.3T119 A121 A126 L127T119-Y123 PolarHBondContact O-N 3.31Å; A121-Y123 VanDerWaalsContact C-N 3.27Å; A121-Y123 PolarHBondContact O-N 2.97Å; Y123-A126 PolarHBondContact O-N 2.93Å; Y123-L127 HydrophobicContact CD1-CD1 4.07Å; Y123-L127 HydrophobicContact CE1-CD1 3.62Å; Y123-L127 WeakPolarHBondContact O-CG 3.43Å; Y123-L127 PolarHBondContact O-N 3.09Å
124F45.8Very low35.9Very low55 Ų55105.3 Ų105.324%0.24158%0.576CS.*Hα-helixtrans-70.5-32.1173.3-71.3-50.6000113L120 A121 L127 T128L120-F124 HydrophobicContact CD2-CE2 3.76Å; L120-F124 HydrophobicContact CD2-CZ 4.03Å; L120-F124 WeakPolarHBondContact O-CD2 3.48Å; L120-F124 WeakPolarHBondContact O-CG 3.42Å; L120-F124 PolarHBondContact O-N 3.34Å; L120-F124 VanDerWaalsContact O-N 3.15Å; A121-F124 CarbonylContact O-C 3.56Å; A121-F124 PolarHBondContact O-N 3.26Å; F124-L127 HydrophobicContact CD1-CD1 4.18Å; F124-L127 CarbonylContact O-C 3.55Å; F124-L127 WeakPolarHBondContact O-CB 3.43Å; F124-L127 PolarHBondContact O-N 3.29Å; F124-L127 VanDerWaalsContact O-N 3.13Å; F124-T128 WeakPolarHBondContact O-CG2 3.5Å; F124-T128 PolarHBondContact O-N 2.97Å; F124-T128 PolarHBondContact O-OG1 3.11Å
125D45.6Very low36Very low41 Ų41110.5 Ų110.522%0.21958%0.584CS.*Hα-helixtrans-76.3-23.5175.1-79-13.6000112.9A121 D122 L127 T128 K129 K270A121-D125 PolarHBondContact O-N 3.37Å; D122-D125 PolarHBondContact O-N 3.09Å; D125-L127 VanDerWaalsContact C-N 3.3Å; D125-T128 WeakPolarHBondContact CA-OG1 3.4Å; D125-T128 PolarHBondContact O-OG1 3.39Å; D125-K129 WeakPolarHBondContact O-CD 3.42Å; D125-K129 VanDerWaalsContact O-CG 3.24Å; D125-K129 WeakPolarHBondContact O-CG 3.23Å; D125-K129 PolarHBondContact O-N 3.46Å; D125-K270 WeakPolarHBondContact OD1-CD 3.49Å; D125-K270 IonicContact OD1-NZ 3.12Å; D125-K270 PolarHBondContact OD1-NZ 3.18Å; D125-K270 IonicContact OD2-NZ 3.02Å; D125-K270 PolarHBondContact OD2-NZ 3.07Å
126A44.2Very low36Very low65 Ų65104.8 Ų104.854%0.53758%0.578SS.*Hα-helixtrans-67.5-30163.700000112.4D122 Y123D122-A126 PolarHBondContact O-N 3.48Å; Y123-A126 PolarHBondContact O-N 2.93Å
127L42.2Very low36Very low103 Ų103104.7 Ų104.754%0.53958%0.578SS.*Hα-helixtrans-84.9-24.6177.8-70.9168.5000114Y123 F124 D125Y123-L127 HydrophobicContact CD1-CD1 4.07Å; Y123-L127 HydrophobicContact CE1-CD1 3.62Å; Y123-L127 WeakPolarHBondContact O-CG 3.43Å; Y123-L127 PolarHBondContact O-N 3.09Å; F124-L127 HydrophobicContact CD1-CD1 4.18Å; F124-L127 CarbonylContact O-C 3.55Å; F124-L127 WeakPolarHBondContact O-CB 3.43Å; F124-L127 PolarHBondContact O-N 3.29Å; F124-L127 VanDerWaalsContact O-N 3.13Å; D125-L127 VanDerWaalsContact C-N 3.3Å
128T47.6Very low35.9Very low66 Ų66104 Ų10441%0.40557%0.573SS.*Hα-helixtrans-84.4-23175.356.20000113.1F124 D125 K130F124-T128 WeakPolarHBondContact O-CG2 3.5Å; F124-T128 PolarHBondContact O-N 2.97Å; F124-T128 PolarHBondContact O-OG1 3.11Å; D125-T128 WeakPolarHBondContact CA-OG1 3.4Å; D125-T128 PolarHBondContact O-OG1 3.39Å; T128-K130 VanDerWaalsContact C-N 3.3Å; T128-K130 PolarHBondContact O-N 3.21Å
129K37.7Very low35.8Very low157 Ų157107 Ų10768%0.68358%0.577SS**SBendtrans-66.583.8170.8-78169.6-175.3170.40111.1D125 P131D125-K129 WeakPolarHBondContact O-CD 3.42Å; D125-K129 VanDerWaalsContact O-CG 3.24Å; D125-K129 WeakPolarHBondContact O-CG 3.23Å; D125-K129 PolarHBondContact O-N 3.46Å; K129-P131 VanDerWaalsContact O-CD 3.25Å; K129-P131 WeakPolarHBondContact O-CD 3.41Å; K129-P131 VanDerWaalsContact O-N 3.14Å
130K36.2Very low35.6Very low189 Ų189108.1 Ų108.182%0.82258%0.581SS**PPolyproline II helixtrans-47.1117.3170.2-74.1-177.2177.5177.20110.2T128 N132T128-K130 VanDerWaalsContact C-N 3.3Å; T128-K130 PolarHBondContact O-N 3.21Å; K130-N132 PolarHBondContact O-N 3.19Å
131P33Very low35.7Very low114 Ų114109.3 Ų109.374%0.7459%0.586SS**PPolyproline II helixtrans-65.2126.2166.7-16.631.3000108.4K129 P133K129-P131 VanDerWaalsContact O-CD 3.25Å; K129-P131 WeakPolarHBondContact O-CD 3.41Å; K129-P131 VanDerWaalsContact O-N 3.14Å; P131-P133 VanDerWaalsContact O-CD 3.32Å; P131-P133 WeakPolarHBondContact O-CD 3.37Å
132N31.2Very low35.6Very low148 Ų148111.1 Ų111.179%0.79159%0.592SS**PPolyproline II helixtrans-63.5116.6168.4-76-33.8000107.6K130 P134K130-N132 PolarHBondContact O-N 3.19Å; N132-P134 WeakPolarHBondContact O-CD 3.37Å
133P30.2Very low35.3Very low115 Ų115108.6 Ų108.675%0.74758%0.58SS**PPolyproline II helixtrans-81.4117.8-162.229.2-34000112.4P131P131-P133 VanDerWaalsContact O-CD 3.32Å; P131-P133 WeakPolarHBondContact O-CD 3.37Å
134P27.4Very low35.3Very low114 Ų114115.3 Ų115.374%0.7461%0.605SS**PPolyproline II helixtrans-64.9152.7149.631.1-32000108.9N132 G136N132-P134 WeakPolarHBondContact O-CD 3.37Å; P134-G136 PolarHBondContact O-N 3.16Å
135R26.4Very low34.7Very low258 Ų258118.7 Ų118.797%0.97462%0.621SS**SBendtrans-61.5127.9-174.1-74.1176.2169.2173.5-5.2112.3
136G25.7Very low34.2Very low69 Ų69121 Ų12171%0.71163%0.632SS**  trans89.482.9153.400000116.8P134P134-G136 PolarHBondContact O-N 3.16Å
137T28.7Very low33.8Very low114 Ų114123.8 Ų123.870%0.69964%0.637SS**  trans-169.1129.4145.46.60000110.4
138S28.2Very low33.4Very low87 Ų87122.8 Ų122.861%0.60864%0.638SS**  trans-92.2105.217922.50000110.7N140S138-N140 PolarHBondContact O-N 2.73Å
139Y29.7Very low32.6Very low202 Ų202127.5 Ų127.579%0.79266%0.656SS**  trans-78.4103.1-179.8-74.1-85.3000111.9
140N32.4Very low32.2Very low71 Ų71129 Ų12938%0.3866%0.659SS.*  trans-106.196.9-169.8-94.9-13.9000111.6S138 L142 F210S138-N140 PolarHBondContact O-N 2.73Å; N140-L142 PolarHBondContact O-N 3.45Å; N140-F210 HydrophobicContact CB-CD2 3.84Å; N140-F210 HydrophobicContact CB-CE1 4.37Å; N140-F210 HydrophobicContact CB-CE2 3.38Å; N140-F210 HydrophobicContact CB-CZ 3.66Å; N140-F210 VanDerWaalsContact CG-CE2 3.41Å; N140-F210 WeakPolarHBondContact OD1-CD2 3.15Å
141I39.2Very low31.8Very low127 Ų127128.4 Ų128.465%0.65166%0.658SS**  trans-86.6102.3-172.1-58.2175.2000110.7F210I141-F210 VanDerWaalsContact O-CE1 3.29Å; I141-F210 WeakPolarHBondContact O-CE1 3.45Å
142L37.6Very low31.6Very low67 Ų67131.7 Ų131.735%0.35167%0.666SS.*  trans-42.4144.2-162-96.9-177.5000118.4N140 I146 F210 Y509N140-L142 PolarHBondContact O-N 3.45Å; L142-I146 HydrophobicContact CD1-CD1 3.85Å; L142-I146 HydrophobicContact CD2-CD1 3.52Å; L142-I146 HydrophobicContact CD2-CG1 4.34Å; L142-I146 HydrophobicContact CG-CD1 4.39Å; L142-F210 HydrophobicContact CD2-CZ 4.26Å; L142-Y509 WeakPolarHBondContact CD1-OH 3.4Å; L142-Y509 WeakPolarHBondContact CG-OH 3.42Å
143P35.2Very low31.3Very low31 Ų31129.6 Ų129.620%0.20166%0.663CS.*  trans-83.4175.9170-425.3000112.9E145 F210P143-E145 PolarHBondContact O-N 3.47Å; P143-E145 VanDerWaalsContact O-N 3.14Å; P143-F210 VanDerWaalsContact CD-CE1 3.49Å; P143-F210 HydrophobicContact CG-CD1 4.13Å; P143-F210 HydrophobicContact CG-CE1 3.79Å; P143-F210 HydrophobicContact CG-CZ 4.33Å
144R36.6Very low31.3Very low229 Ų229135.9 Ų135.986%0.86467%0.672SS**THydrogen-bonded Turntrans-71.42.8-177.3-89.8-177.1160.6-151.8-7.6116.5
145E34Very low31.4Very low125 Ų125137.7 Ų137.758%0.58468%0.675SS**THydrogen-bonded Turntrans-99.8-10.9-155.6-66.1173.5138.600115.3P143 I147 S148P143-E145 PolarHBondContact O-N 3.47Å; P143-E145 VanDerWaalsContact O-N 3.14Å; E145-I147 PolarHBondContact O-N 3.22Å; E145-S148 PolarHBondContact O-N 3.42Å; E145-S148 PolarHBondContact O-OG 3.37Å
146I34.8Very low31.5Very low89 Ų89134 Ų13446%0.45667%0.667SS.*G310 helixtrans-73.3-25.5-177.1-65.8-169.9000113.2L142 S148 H149 Y150L142-I146 HydrophobicContact CD1-CD1 3.85Å; L142-I146 HydrophobicContact CD2-CD1 3.52Å; L142-I146 HydrophobicContact CD2-CG1 4.34Å; L142-I146 HydrophobicContact CG-CD1 4.39Å; I146-S148 VanDerWaalsContact C-N 3.28Å; I146-S148 PolarHBondContact O-N 3.38Å; I146-H149 PolarHBondContact O-N 3.28Å; I146-Y150 HydrophobicContact CG2-CD2 4.3Å; I146-Y150 HydrophobicContact CG2-CE2 4.44Å
147I35.6Very low31.6Very low125 Ų125136.5 Ų136.564%0.64167%0.673SS**G310 helixtrans-70.1-25.5179.8-61.7179.1000111.8E145 H149E145-I147 PolarHBondContact O-N 3.22Å; I147-H149 VanDerWaalsContact C-N 3.27Å; I147-H149 PolarHBondContact O-N 3.37Å
148S33.3Very low31.6Very low81 Ų81138.4 Ų138.457%0.56667%0.674SS**G310 helixtrans-65.3-27.2175.2-5.20000113.8E145 I146E145-S148 PolarHBondContact O-N 3.42Å; E145-S148 PolarHBondContact O-OG 3.37Å; I146-S148 VanDerWaalsContact C-N 3.28Å; I146-S148 PolarHBondContact O-N 3.38Å
149H31.7Very low31.6Very low165 Ų165141.7 Ų141.776%0.76468%0.683SS**G310 helixtrans-97.2-4.5-175.1-73.7-77.9000114.2I146 I147I146-H149 PolarHBondContact O-N 3.28Å; I147-H149 VanDerWaalsContact C-N 3.27Å; I147-H149 PolarHBondContact O-N 3.37Å
150Y28.3Very low31.5Very low190 Ų190139.3 Ų139.375%0.74568%0.684SS**  trans-106.450.9171.5-80.9-85.3000112.3I146 M152I146-Y150 HydrophobicContact CG2-CD2 4.3Å; I146-Y150 HydrophobicContact CG2-CE2 4.44Å; Y150-M152 VanDerWaalsContact C-N 3.26Å; Y150-M152 PolarHBondContact O-N 3.16Å
151Q28.5Very low31.2Very low175 Ų175142.1 Ų142.182%0.81870%0.703SS**  trans-65.692154-77.8-165-7.600108.7S153Q151-S153 PolarHBondContact O-N 3.14Å
152M28.1Very low30.8Very low183 Ų183140.7 Ų140.790%0.90171%0.705SS**  trans-70.3106172.4-144.6-177.7-173.600108.7Y150 R154Y150-M152 VanDerWaalsContact C-N 3.26Å; Y150-M152 PolarHBondContact O-N 3.16Å; M152-R154 PolarHBondContact O-N 3.05Å
153S26.7Very low30.3Very low104 Ų104142.4 Ų142.473%0.72772%0.722SS**  trans-57.995.9-173.2-56.30000112.9Q151 N155Q151-S153 PolarHBondContact O-N 3.14Å; S153-N155 PolarHBondContact O-N 2.81Å
154R28.5Very low29.9Very low247 Ų247148.3 Ų148.393%0.93275%0.75SS**  trans-69.1114.7154.2-79.4-171172.6-176.2-1.7107.1M152M152-R154 PolarHBondContact O-N 3.05Å
155N30.4Very low29.4Very low152 Ų152142.1 Ų142.181%0.81374%0.743SS**  trans-58.8150-169.1-83.6-30.8000113.3S153S153-N155 PolarHBondContact O-N 2.81Å
156K27.8Very low29.2Very low182 Ų182142.4 Ų142.479%0.79175%0.753SS**  trans-57.3137.4-178.9-57170.9-177.61740111.5
157S29.5Very low28.9Very low120 Ų120143.3 Ų143.384%0.83977%0.767SS**  trans-129.9135.2141.953.10000108.1
158H28.1Very low28.8Very low155 Ų155142.3 Ų142.372%0.71877%0.769SS**  trans-93.7133.2-174.9-75.2-128.4000110.7
159L28.4Very low28.5Very low156 Ų156147.3 Ų147.382%0.81778%0.78SS**  trans-164.9117.6146.4-88.5129.2000105.2
160L26.3Very low28.5Very low152 Ų152147.3 Ų147.380%0.79678%0.781SS**  60.6123.974.8-63.6169.1000111.1
161T28Very low28.5Very low129 Ų129144.2 Ų144.279%0.79177%0.773SS**  cis-135.9175.99.155.70000109.8
162S29.1Very low28.4Very low98 Ų98144 Ų14469%0.68577%0.769SS**  cis-161.2146.727.643.30000113.6
163S26.7Very low28.4Very low103 Ų103142.3 Ų142.372%0.7276%0.764SS**  trans13.1145.4144.762.70000120.7
164I28.5Very low28.8Very low154 Ų154142.1 Ų142.179%0.7977%0.769SS**  -146.2161.551.3-77.2174.9000113
165S26.1Very low28.8Very low100 Ų100137.1 Ų137.170%0.69976%0.761SS**  trans-44.6169.1177.258.20000118.1
166T30.2Very low29.1Very low130 Ų130138.4 Ų138.480%0.79876%0.762SS**  cis-144.7145.330.447.30000116.2
167S27.7Very low29.3Very low109 Ų109135.3 Ų135.376%0.76275%0.754SS**  trans-107.9-172.8149700000107.6
168P33.6Very low29.6Very low103 Ų103135 Ų13567%0.66974%0.743SS**  cis-148.6-173.727.645.4-23.8000118.1
169K27.4Very low29.8Very low187 Ų187135.4 Ų135.481%0.81375%0.745SS**  trans24.8131.4141.8-63167.5179.9-177.40120.8
170Q31.5Very low29.9Very low164 Ų164132.6 Ų132.677%0.76674%0.738SS**  -168.5131.9100.3-95.2169.6-25.600107.7
171Q27.3Very low30.4Very low125 Ų125131.7 Ų131.758%0.58474%0.739SS**  80.3112.956.3-172-175.6-1.800112.3
172F27.9Very low30.5Very low170 Ų170132.4 Ų132.475%0.74674%0.738SS**  177.5147.8116.9-98.6-67.3000112.6
173D28Very low30.8Very low148 Ų148135 Ų13579%0.79174%0.744SS**  trans-87.4157.4-177.1-46.3-96.7000113.1
174A35Very low31Very low101 Ų101138.1 Ų138.184%0.83575%0.747SS**  trans-149.2123.9159.600000110.5
175N28.4Very low31.3Very low142 Ų142138.8 Ų138.876%0.75975%0.751SS**  trans-77.9160.7172.9-68-58.4000111.3
176H35.8Very low31.6Very low178 Ų178140.9 Ų140.982%0.82475%0.754SS**  trans155.4149.8141.6-82.3-44.2000110
177N32.9Very low31.9Very low118 Ų118141 Ų14163%0.63175%0.75SS**  cis-178163.9-30.1-123.941.1000107.1
178N34.3Very low32.2Very low112 Ų112142.2 Ų142.260%0.59975%0.748SS**  trans68.2115.3163.6-64.447.7000115.5
179E32.5Very low32.2Very low164 Ų164143.4 Ų143.477%0.76675%0.749SS**  75.514985.9-71.9171.2152.500114.5
180S30.4Very low32.5Very low97 Ų97140.5 Ų140.568%0.67874%0.742SS**  cis-175.8-165.1-29.457.20000107.1
181V36.4Very low32.5Very low133 Ų133139.5 Ų139.581%0.80674%0.742SS**  trans80.4132.6167.3-172.90000117.2
182N30.6Very low32.6Very low144 Ų144144.3 Ų144.377%0.7775%0.754SS**  trans-81171.3172.1-54.8-56.2000110.7
183D35Very low32.6Very low153 Ų153142.7 Ų142.782%0.81875%0.752SS**  -164.9169.5108.3-109.2-27.7000114.8
184Q31.9Very low32.4Very low168 Ų168139.9 Ų139.979%0.78574%0.744SS**  trans-80.1161.9-175-53.3169.15.600112.4
185I35.5Very low32.1Very low169 Ų169141.7 Ų141.787%0.86774%0.74SS**  -178.5151.5119.2-93.5156.7000111.6
186N32.4Very low32.1Very low143 Ų143146.3 Ų146.377%0.76575%0.748SS**  trans-88174.1-173-87.2-42.9000115.2
187N35.6Very low31.7Very low133 Ų133142.3 Ų142.371%0.71174%0.74SS**  trans104.2100.1145.5-65.7-39.3000120.4
188N32.9Very low31.4Very low135 Ų135141.9 Ų141.972%0.72275%0.747SS**  72.4146.2119.1-75.3-17.3000123.3
189N34.7Very low31Very low128 Ų128142.3 Ų142.368%0.68476%0.759SS**  trans85.2102.8149.3-67.9-12.7000120.6
190N34.3Very low30.6Very low126 Ų126141.5 Ų141.567%0.67477%0.765SS**  86.9107.4125.6-61.7-21.8000120.5
191N30.9Very low30.5Very low142 Ų142141.5 Ų141.576%0.75977%0.765SS**  57.896.3128.6-61-28.3000118.6
192R28.9Very low30Very low226 Ų226143.1 Ų143.185%0.85377%0.769SS**  -17313791.4-102.1177.3164.1174.4-4.5115
193I27.5Very low30Very low136 Ų136142.5 Ų142.570%0.69777%0.766SS**  trans70.3107.6141.5-62.9165.1000118
194S25.7Very low29.7Very low89 Ų89142.3 Ų142.362%0.62277%0.765SS**  trans41101.1153.563.80000119.3
195N26.9Very low29.6Very low140 Ų140139.7 Ų139.775%0.74977%0.765SS**  -165.5124.990-87.4-26000111.7S197N195-S197 VanDerWaalsContact O-CB 3.23Å; N195-S197 WeakPolarHBondContact O-CB 3.49Å; N195-S197 PolarHBondContact O-N 2.99Å; N195-S197 PolarHBondContact O-OG 3.49Å
196Y29.7Very low29.4Very low238 Ų238140 Ų14093%0.93377%0.769SS**  trans-66.6116.9154.8-62.4-90.8000105.4
197S27.2Very low29.4Very low94 Ų94140.1 Ų140.166%0.65776%0.764SS**  cis64.280.924.4-53.90000113.7N195N195-S197 VanDerWaalsContact O-CB 3.23Å; N195-S197 WeakPolarHBondContact O-CB 3.49Å; N195-S197 PolarHBondContact O-N 2.99Å; N195-S197 PolarHBondContact O-OG 3.49Å
198S26.4Very low29.3Very low109 Ų109138 Ų13876%0.76276%0.758SS**  trans49113.4134.360.10000120
199S26Very low29.4Very low122 Ų122137 Ų13785%0.85376%0.762SS**  trans-153119.9132.9-82.60000111.5
200T24.4Very low29.5Very low146 Ų146133.4 Ų133.490%0.89674%0.74SS**  trans-41.9128.5175.745.30000116.7
201S27.8Very low30Very low97 Ų97130.3 Ų130.368%0.67873%0.727SS**  trans-151.5142.4137.360.30000109.4N203S201-N203 PolarHBondContact O-N 3.35Å
202N26.7Very low30.8Very low167 Ų167128.7 Ų128.789%0.89372%0.722SS**  trans-81.5109.5176.7-62.4-38.5000108.7
203N29.4Very low32Very low132 Ų132123.8 Ų123.871%0.70671%0.713SS**  trans-151.5129.6171.8-82.5-48.8000112.5S201S201-N203 PolarHBondContact O-N 3.35Å
204D28.7Very low33.1Very low149 Ų149120.5 Ų120.580%0.79769%0.692SS**  trans17.9117.7150-56.6-40.1000121.8
205S30.6Very low34.5Very low113 Ų113123.3 Ų123.379%0.7969%0.693SS**  trans-176.370.5130.731.90000112.5E207S205-E207 PolarHBondContact O-N 2.88Å
206N30.2Very low36.2Very low176 Ų176119.6 Ų119.694%0.94167%0.673SS**  trans-76.665.6170.9-78.3-32.9000111.6
207E34.1Very low37.8Very low144 Ų144113.6 Ų113.667%0.67365%0.65SS**  trans-79.1125.5172.8-166.9179.5-147.700110.6S205 S209S205-E207 PolarHBondContact O-N 2.88Å; E207-S209 PolarHBondContact O-N 3.47Å; E207-S209 VanDerWaalsContact O-N 3.16Å
208P32.9Very low39.7Very low89 Ų89112.6 Ų112.658%0.57864%0.637SS**  trans-75.5105.9-178.729.4-33.7000111.1F210P208-F210 VanDerWaalsContact O-CD2 3.32Å; P208-F210 WeakPolarHBondContact O-CD2 3.32Å; P208-F210 PolarHBondContact O-N 3.39Å
209S33.6Very low41.8Very low115 Ų115112.4 Ų112.480%0.80462%0.622SS**PPolyproline II helixtrans-67.7127.7173.359.90000111.1E207 P211E207-S209 PolarHBondContact O-N 3.47Å; E207-S209 VanDerWaalsContact O-N 3.16Å; S209-P211 WeakPolarHBondContact O-CD 3.07Å
210F38.1Very low44Very low52 Ų52113.3 Ų113.323%0.22861%0.611CS.*PPolyproline II helixtrans-79.6127-177.2-86.8-109.3000111.2N140 I141 L142 P143 P208 V212N140-F210 HydrophobicContact CB-CD2 3.84Å; N140-F210 HydrophobicContact CB-CE1 4.37Å; N140-F210 HydrophobicContact CB-CE2 3.38Å; N140-F210 HydrophobicContact CB-CZ 3.66Å; N140-F210 VanDerWaalsContact CG-CE2 3.41Å; N140-F210 WeakPolarHBondContact OD1-CD2 3.15Å; I141-F210 VanDerWaalsContact O-CE1 3.29Å; I141-F210 WeakPolarHBondContact O-CE1 3.45Å; L142-F210 HydrophobicContact CD2-CZ 4.26Å; P143-F210 VanDerWaalsContact CD-CE1 3.49Å; P143-F210 HydrophobicContact CG-CD1 4.13Å; P143-F210 HydrophobicContact CG-CE1 3.79Å; P143-F210 HydrophobicContact CG-CZ 4.33Å; P208-F210 VanDerWaalsContact O-CD2 3.32Å; P208-F210 WeakPolarHBondContact O-CD2 3.32Å; P208-F210 PolarHBondContact O-N 3.39Å; F210-V212 PolarHBondContact O-N 3.22Å
211P45.2Very low46.2Very low60 Ų60111.9 Ų111.939%0.3959%0.589SS.*PPolyproline II helixtrans-61.8124.1175.3-23.534.1000111.2S209 D213 Y214S209-P211 WeakPolarHBondContact O-CD 3.07Å; P211-D213 PolarHBondContact O-N 3.03Å; P211-D213 VanDerWaalsContact O-N 3.1Å; P211-Y214 WeakPolarHBondContact O-CB 3.46Å; P211-Y214 PolarHBondContact O-N 2.92Å
212V45.9Very low48.3Very low108 Ų108110.6 Ų110.666%0.65557%0.569SS**Hα-helixtrans-55.1-30174.5178.10000111F210 Y214 F215 N216F210-V212 PolarHBondContact O-N 3.22Å; V212-Y214 VanDerWaalsContact C-N 3.26Å; V212-Y214 PolarHBondContact O-N 3.45Å; V212-F215 PolarHBondContact O-N 3.22Å; V212-N216 PolarHBondContact O-N 3.28Å; V212-N216 VanDerWaalsContact O-N 3.1Å; V212-N216 PolarHBondContact O-ND2 2.92Å
213D55.6Low50.5Low124 Ų124104.7 Ų104.766%0.66354%0.536SS*.Hα-helixtrans-60.3-28.5174.2-63.5-53000114.3P211 N216 Y217P211-D213 PolarHBondContact O-N 3.03Å; P211-D213 VanDerWaalsContact O-N 3.1Å; D213-N216 PolarHBondContact O-N 3.09Å; D213-Y217 VanDerWaalsContact O-CB 3.29Å; D213-Y217 WeakPolarHBondContact O-CB 3.41Å; D213-Y217 PolarHBondContact O-N 3.1Å
214Y50.5Low52.7Low66 Ų66103.8 Ų103.826%0.25953%0.526SS..Hα-helixtrans-72.4-40.1177.2-175.1-122.5000111.9P211 V212 Y217 L218P211-Y214 WeakPolarHBondContact O-CB 3.46Å; P211-Y214 PolarHBondContact O-N 2.92Å; V212-Y214 VanDerWaalsContact C-N 3.26Å; V212-Y214 PolarHBondContact O-N 3.45Å; Y214-Y217 HydrophobicContact CD2-CD1 4.45Å; Y214-Y217 HydrophobicContact CE2-CD1 4.47Å; Y214-Y217 WeakPolarHBondContact O-CB 3.42Å; Y214-Y217 PolarHBondContact O-N 2.98Å; Y214-L218 HydrophobicContact CD1-CD1 4.21Å; Y214-L218 HydrophobicContact CE1-CD1 3.76Å; Y214-L218 HydrophobicContact CE1-CG 4.43Å; Y214-L218 HydrophobicContact CE2-CD1 4.39Å; Y214-L218 HydrophobicContact CE2-CD2 4.34Å; Y214-L218 HydrophobicContact CE2-CG 4.22Å; Y214-L218 WeakPolarHBondContact O-CG 3.5Å; Y214-L218 PolarHBondContact O-N 3.13Å
215F54.7Low54.8Low148 Ų148101.2 Ų101.265%0.64951%0.512SS*.Hα-helixtrans-63.9-43.4172-175.3-93.9000111V212 Y217 L218 K219V212-F215 PolarHBondContact O-N 3.22Å; F215-Y217 VanDerWaalsContact C-N 3.32Å; F215-Y217 PolarHBondContact O-N 2.89Å; F215-L218 PolarHBondContact O-N 3.11Å; F215-K219 WeakPolarHBondContact O-CB 3.32Å; F215-K219 PolarHBondContact O-N 2.95Å
216N63.6Low56.9Low63 Ų6396.2 Ų96.234%0.33748%0.477SS..Hα-helixtrans-61.5-37.7174.3-72.9-33.1000112.6V212 D213 K220V212-N216 PolarHBondContact O-N 3.28Å; V212-N216 VanDerWaalsContact O-N 3.1Å; V212-N216 PolarHBondContact O-ND2 2.92Å; D213-N216 PolarHBondContact O-N 3.09Å; N216-K220 WeakPolarHBondContact O-CB 3.4Å; N216-K220 VanDerWaalsContact O-CG 3.27Å; N216-K220 WeakPolarHBondContact O-CG 3.34Å; N216-K220 PolarHBondContact O-N 3.01Å
217Y63.1Low59Low111 Ų11189.6 Ų89.644%0.43544%0.441SS..Hα-helixtrans-64.7-48173.8173.6-95.3000111.7D213 Y214 F215 K219 K220 R221D213-Y217 VanDerWaalsContact O-CB 3.29Å; D213-Y217 WeakPolarHBondContact O-CB 3.41Å; D213-Y217 PolarHBondContact O-N 3.1Å; Y214-Y217 HydrophobicContact CD2-CD1 4.45Å; Y214-Y217 HydrophobicContact CE2-CD1 4.47Å; Y214-Y217 WeakPolarHBondContact O-CB 3.42Å; Y214-Y217 PolarHBondContact O-N 2.98Å; F215-Y217 VanDerWaalsContact C-N 3.32Å; F215-Y217 PolarHBondContact O-N 2.89Å; Y217-K219 PolarHBondContact O-N 3.1Å; Y217-K220 PolarHBondContact O-N 3.02Å; Y217-R221 VanDerWaalsContact O-CB 3.22Å; Y217-R221 WeakPolarHBondContact O-CB 3.48Å; Y217-R221 PolarHBondContact O-N 3.49Å; Y217-R221 PolarHBondContact OH-NH1 2.98Å
218L65.8Low61Low73 Ų7388.2 Ų88.238%0.38243%0.43SS..Hα-helixtrans-63.5-39.7177.8-70.1179.2000111.8Y214 F215 R221 R222Y214-L218 HydrophobicContact CD1-CD1 4.21Å; Y214-L218 HydrophobicContact CE1-CD1 3.76Å; Y214-L218 HydrophobicContact CE1-CG 4.43Å; Y214-L218 HydrophobicContact CE2-CD1 4.39Å; Y214-L218 HydrophobicContact CE2-CD2 4.34Å; Y214-L218 HydrophobicContact CE2-CG 4.22Å; Y214-L218 WeakPolarHBondContact O-CG 3.5Å; Y214-L218 PolarHBondContact O-N 3.13Å; F215-L218 PolarHBondContact O-N 3.11Å; L218-R221 PolarHBondContact O-N 3.14Å; L218-R222 WeakPolarHBondContact O-CB 3.36Å; L218-R222 PolarHBondContact O-N 2.93Å
219K71.5Confident63.2Low105 Ų10588 Ų8846%0.45742%0.423SS..Hα-helixtrans-61.7-53.2174.8-163.3-171.1-174.9-101.50111.3F215 Y217 R221 R222 E223F215-K219 WeakPolarHBondContact O-CB 3.32Å; F215-K219 PolarHBondContact O-N 2.95Å; Y217-K219 PolarHBondContact O-N 3.1Å; K219-R221 VanDerWaalsContact C-N 3.26Å; K219-R221 PolarHBondContact O-N 3.27Å; K219-R222 WeakPolarHBondContact O-CB 3.47Å; K219-R222 PolarHBondContact O-N 3.4Å; K219-E223 WeakPolarHBondContact CE-OE1 3.29Å; K219-E223 WeakPolarHBondContact CG-OE1 3.45Å; K219-E223 IonicContact NZ-OE1 3.57Å; K219-E223 PolarHBondContact NZ-OE1 3.46Å; K219-E223 WeakPolarHBondContact O-CG 2.99Å; K219-E223 PolarHBondContact O-N 3.14Å
220K72.3Confident65.5Low141 Ų14182.6 Ų82.661%0.61339%0.386SS*.Hα-helixtrans-58.9-35.4176.4-73.3172.3-179.4175.50113N216 Y217 E223 F224N216-K220 WeakPolarHBondContact O-CB 3.4Å; N216-K220 VanDerWaalsContact O-CG 3.27Å; N216-K220 WeakPolarHBondContact O-CG 3.34Å; N216-K220 PolarHBondContact O-N 3.01Å; Y217-K220 PolarHBondContact O-N 3.02Å; K220-E223 WeakPolarHBondContact CA-OE2 3.38Å; K220-F224 VanDerWaalsContact O-CB 3.29Å; K220-F224 WeakPolarHBondContact O-CB 3.12Å; K220-F224 PolarHBondContact O-N 2.68Å
221R70.6Confident67.3Low117 Ų11781.3 Ų81.344%0.44238%0.383SS..Hα-helixtrans-71.7-34.9175.8-175.5170.5175.6140.5-0.8112.1Y217 L218 K219 L225Y217-R221 VanDerWaalsContact O-CB 3.22Å; Y217-R221 WeakPolarHBondContact O-CB 3.48Å; Y217-R221 PolarHBondContact O-N 3.49Å; Y217-R221 PolarHBondContact OH-NH1 2.98Å; L218-R221 PolarHBondContact O-N 3.14Å; K219-R221 VanDerWaalsContact C-N 3.26Å; K219-R221 PolarHBondContact O-N 3.27Å; R221-L225 HydrophobicContact CG-CD1 3.99Å; R221-L225 HydrophobicContact CG-CG 4.48Å; R221-L225 VanDerWaalsContact O-CB 3.31Å; R221-L225 WeakPolarHBondContact O-CB 3.46Å; R221-L225 WeakPolarHBondContact O-CD1 3.45Å; R221-L225 WeakPolarHBondContact O-CG 3.48Å; R221-L225 PolarHBondContact O-N 3.21Å
222R71.4Confident68.9Low70 Ų7083.5 Ų83.526%0.26438%0.383SS..Hα-helixtrans-66.1-51.9172.6-171.7179.9-178.9-143.6-6.5110.6L218 K219 F224 L225 T226 V271L218-R222 WeakPolarHBondContact O-CB 3.36Å; L218-R222 PolarHBondContact O-N 2.93Å; K219-R222 WeakPolarHBondContact O-CB 3.47Å; K219-R222 PolarHBondContact O-N 3.4Å; R222-F224 PolarHBondContact O-N 3.17Å; R222-L225 PolarHBondContact O-N 3.33Å; R222-T226 WeakPolarHBondContact O-CB 3.06Å; R222-T226 PolarHBondContact O-N 3.37Å; R222-T226 PolarHBondContact O-OG1 3.46Å; R222-V271 HydrophobicContact CG-CG2 3.89Å
223E72.9Confident70.7Confident42 Ų4281.3 Ų81.320%0.19636%0.364CS..Hα-helixtrans-47.7-61172.6-69160.4-178.800110.6K219 K220 L225 T226 D227 V271K219-E223 WeakPolarHBondContact CE-OE1 3.29Å; K219-E223 WeakPolarHBondContact CG-OE1 3.45Å; K219-E223 IonicContact NZ-OE1 3.57Å; K219-E223 PolarHBondContact NZ-OE1 3.46Å; K219-E223 WeakPolarHBondContact O-CG 2.99Å; K219-E223 PolarHBondContact O-N 3.14Å; K220-E223 WeakPolarHBondContact CA-OE2 3.38Å; E223-L225 VanDerWaalsContact C-N 3.35Å; E223-L225 PolarHBondContact O-N 2.86Å; E223-T226 PolarHBondContact O-N 3.01Å; E223-D227 WeakPolarHBondContact O-CB 3.43Å; E223-D227 PolarHBondContact O-N 3.2Å; E223-V271 HydrophobicContact CB-CG1 4.28Å; E223-V271 HydrophobicContact CG-CG1 3.7Å
224F74.8Confident71.8Confident114 Ų11476.1 Ų76.150%0.534%0.337SS..Hα-helixtrans-57.2-39.7180175.7-96.3000114.5K220 R222 R228K220-F224 VanDerWaalsContact O-CB 3.29Å; K220-F224 WeakPolarHBondContact O-CB 3.12Å; K220-F224 PolarHBondContact O-N 2.68Å; R222-F224 PolarHBondContact O-N 3.17Å; F224-R228 WeakPolarHBondContact O-CB 3.47Å; F224-R228 PolarHBondContact O-N 3.29Å; F224-R228 VanDerWaalsContact O-N 3.14Å
225L74.3Confident73.2Confident94 Ų9476.6 Ų76.649%0.49234%0.341SS..Hα-helixtrans-71.4-40.1179.8-76.2172.1000111.8R221 R222 E223 R228 L229R221-L225 HydrophobicContact CG-CD1 3.99Å; R221-L225 HydrophobicContact CG-CG 4.48Å; R221-L225 VanDerWaalsContact O-CB 3.31Å; R221-L225 WeakPolarHBondContact O-CB 3.46Å; R221-L225 WeakPolarHBondContact O-CD1 3.45Å; R221-L225 WeakPolarHBondContact O-CG 3.48Å; R221-L225 PolarHBondContact O-N 3.21Å; R222-L225 PolarHBondContact O-N 3.33Å; E223-L225 VanDerWaalsContact C-N 3.35Å; E223-L225 PolarHBondContact O-N 2.86Å; L225-R228 PolarHBondContact O-N 3.06Å; L225-L229 WeakPolarHBondContact O-CB 3.4Å; L225-L229 PolarHBondContact O-N 3.48Å
226T74.4Confident74.6Confident9 Ų969.9 Ų69.96%0.05531%0.312CS..Hα-helixtrans-70.9-43.2179.7-620000111.5R222 E223 R228 L229 L230 A267 F268 V271R222-T226 WeakPolarHBondContact O-CB 3.06Å; R222-T226 PolarHBondContact O-N 3.37Å; R222-T226 PolarHBondContact O-OG1 3.46Å; E223-T226 PolarHBondContact O-N 3.01Å; T226-R228 PolarHBondContact O-N 3.05Å; T226-L229 PolarHBondContact O-N 2.93Å; T226-L230 PolarHBondContact O-N 3.37Å; T226-A267 HydrophobicContact CG2-CB 4.09Å; T226-F268 VanDerWaalsContact CG2-CA 3.4Å; T226-F268 HydrophobicContact CG2-CB 3.86Å; T226-F268 HydrophobicContact CG2-CD2 4.42Å; T226-V271 HydrophobicContact CG2-CG2 4.36Å
227D73.8Confident75.5Confident37 Ų3768 Ų6820%0.19830%0.302CS..Hα-helixtrans-53.2-44170.1-64.9-4.2000110.9E223 S231 F268 H272E223-D227 WeakPolarHBondContact O-CB 3.43Å; E223-D227 PolarHBondContact O-N 3.2Å; D227-S231 WeakPolarHBondContact O-CB 3.36Å; D227-S231 PolarHBondContact O-N 3.49Å; D227-F268 VanDerWaalsContact OD1-CE2 3.24Å; D227-F268 WeakPolarHBondContact OD1-CE2 3.24Å; D227-H272 IonicContact OD1-CD2 3.74Å; D227-H272 IonicContact OD1-CE1 3.5Å; D227-H272 PolarHBondContact OD1-CE1 3.38Å; D227-H272 IonicContact OD1-NE2 2.66Å; D227-H272 PolarHBondContact OD1-NE2 3.44Å
228R76.3Confident76.4Confident115 Ų11566.2 Ų66.243%0.43430%0.296SS..Hα-helixtrans-76.1-29.3-176.2-165.548.4156.3-178.8-11.3113.2F224 L225 T226 S231 R232F224-R228 WeakPolarHBondContact O-CB 3.47Å; F224-R228 PolarHBondContact O-N 3.29Å; F224-R228 VanDerWaalsContact O-N 3.14Å; L225-R228 PolarHBondContact O-N 3.06Å; T226-R228 PolarHBondContact O-N 3.05Å; R228-S231 PolarHBondContact NH1-OG 3.22Å; R228-R232 WeakPolarHBondContact O-CG 3.5Å; R228-R232 PolarHBondContact O-N 3.23Å
229L78.1Confident77.2Confident83 Ų8363.8 Ų63.844%0.43528%0.284SS..Hα-helixtrans-66.6-54.3171.7-170.477.5000109.9L225 T226 S231 R232 Y233 A264L225-L229 WeakPolarHBondContact O-CB 3.4Å; L225-L229 PolarHBondContact O-N 3.48Å; T226-L229 PolarHBondContact O-N 2.93Å; L229-S231 PolarHBondContact O-N 2.97Å; L229-R232 PolarHBondContact O-N 2.8Å; L229-R232 VanDerWaalsContact O-N 3.09Å; L229-Y233 HydrophobicContact CD1-CD2 4.41Å; L229-Y233 HydrophobicContact CD1-CE2 3.84Å; L229-Y233 HydrophobicContact CD2-CE2 4.38Å; L229-Y233 HydrophobicContact CG-CD2 4.01Å; L229-Y233 HydrophobicContact CG-CE2 3.82Å; L229-Y233 WeakPolarHBondContact O-CD2 3.48Å; L229-Y233 PolarHBondContact O-N 3.04Å; L229-A264 HydrophobicContact CD2-CB 3.82Å; L229-A264 HydrophobicContact CG-CB 4.1Å
230L81.8Confident77.6Confident3 Ų359.3 Ų59.32%0.01627%0.265CS..Hα-helixtrans-59.4-49.1-179.8179.356.4000111.3T226 R232 Y233 T234 Y261 A264 L265 F268 I284T226-L230 PolarHBondContact O-N 3.37Å; L230-R232 PolarHBondContact O-N 2.72Å; L230-Y233 PolarHBondContact O-N 3.07Å; L230-T234 PolarHBondContact O-N 3.25Å; L230-T234 PolarHBondContact O-OG1 3.38Å; L230-T234 VanDerWaalsContact O-OG1 3.09Å; L230-Y261 HydrophobicContact CD1-CD2 3.98Å; L230-Y261 HydrophobicContact CD1-CE2 3.68Å; L230-A264 HydrophobicContact CB-CB 4.49Å; L230-A264 HydrophobicContact CD1-CB 4.39Å; L230-L265 HydrophobicContact CD1-CB 4.06Å; L230-L265 HydrophobicContact CD1-CD1 3.97Å; L230-L265 HydrophobicContact CD2-CD1 3.79Å; L230-F268 HydrophobicContact CD2-CB 3.69Å; L230-F268 HydrophobicContact CD2-CD1 3.63Å; L230-F268 HydrophobicContact CD2-CD2 3.72Å; L230-F268 HydrophobicContact CD2-CE1 4.08Å; L230-F268 HydrophobicContact CD2-CE2 4.18Å; L230-F268 HydrophobicContact CD2-CG 3.42Å; L230-F268 VanDerWaalsContact CD2-CG 3.42Å; L230-F268 HydrophobicContact CD2-CZ 4.35Å; L230-I284 HydrophobicContact CD2-CD1 4.44Å; L230-I284 HydrophobicContact CD2-CG2 4.12Å; L230-I284 HydrophobicContact CG-CG2 4.42Å
231S77.7Confident78Confident24 Ų2455.1 Ų55.117%0.16825%0.249CC..Hα-helixtrans-51.5-32.2175.2165.80000113.8D227 R228 L229 E235D227-S231 WeakPolarHBondContact O-CB 3.36Å; D227-S231 PolarHBondContact O-N 3.49Å; R228-S231 PolarHBondContact NH1-OG 3.22Å; L229-S231 PolarHBondContact O-N 2.97Å; S231-E235 PolarHBondContact O-N 3.49Å
232R77.1Confident78.4Confident106 Ų10652 Ų5240%0.424%0.239SC..Hα-helixtrans-85.3-32.8178.2-72.8-57.4-145.3171.316.7113.3R228 L229 L230 E235 L236R228-R232 WeakPolarHBondContact O-CG 3.5Å; R228-R232 PolarHBondContact O-N 3.23Å; L229-R232 PolarHBondContact O-N 2.8Å; L229-R232 VanDerWaalsContact O-N 3.09Å; L230-R232 PolarHBondContact O-N 2.72Å; R232-E235 WeakPolarHBondContact CD-OE2 3.36Å; R232-E235 IonicContact CZ-OE2 2.72Å; R232-E235 IonicContact NE-OE2 3.29Å; R232-E235 IonicContact NH1-OE1 3.14Å; R232-E235 PolarHBondContact NH1-OE1 2.99Å; R232-E235 IonicContact NH1-OE2 3.96Å; R232-E235 PolarHBondContact NH1-OE2 2.76Å; R232-L236 WeakPolarHBondContact O-CB 3.38Å; R232-L236 PolarHBondContact O-N 2.68Å
233Y83.6Confident78.5Confident62 Ų6249.6 Ų49.624%0.24323%0.231CC..Hα-helixtrans-69.5-38.7170.6-78-69.7000111.5L229 L230 E235 L236 I237 A260 A264L229-Y233 HydrophobicContact CD1-CD2 4.41Å; L229-Y233 HydrophobicContact CD1-CE2 3.84Å; L229-Y233 HydrophobicContact CD2-CE2 4.38Å; L229-Y233 HydrophobicContact CG-CD2 4.01Å; L229-Y233 HydrophobicContact CG-CE2 3.82Å; L229-Y233 WeakPolarHBondContact O-CD2 3.48Å; L229-Y233 PolarHBondContact O-N 3.04Å; L230-Y233 PolarHBondContact O-N 3.07Å; Y233-E235 PolarHBondContact O-N 2.93Å; Y233-L236 HydrophobicContact CD1-CD2 4.22Å; Y233-L236 HydrophobicContact CE1-CD2 4.46Å; Y233-L236 PolarHBondContact O-N 2.66Å; Y233-L236 VanDerWaalsContact O-N 3.17Å; Y233-I237 WeakPolarHBondContact O-CB 3.42Å; Y233-I237 VanDerWaalsContact O-CG1 3.23Å; Y233-I237 WeakPolarHBondContact O-CG1 3.33Å; Y233-I237 PolarHBondContact O-N 2.99Å; Y233-A260 HydrophobicContact CD1-CB 4.31Å; Y233-A260 HydrophobicContact CE1-CB 3.54Å; Y233-A260 HydrophobicContact CE2-CB 4.41Å; Y233-A264 HydrophobicContact CD2-CB 3.68Å; Y233-A264 HydrophobicContact CE2-CB 4.21Å
234T79.7Confident78.6Confident16 Ų1650.1 Ų50.110%0.09824%0.235CC..Hα-helixtrans-58.2-46.6171.7-48.90000111.7L230 L236 I237 K238L230-T234 PolarHBondContact O-N 3.25Å; L230-T234 PolarHBondContact O-OG1 3.38Å; L230-T234 VanDerWaalsContact O-OG1 3.09Å; T234-L236 VanDerWaalsContact C-N 3.31Å; T234-L236 PolarHBondContact O-N 2.92Å; T234-I237 PolarHBondContact O-N 2.77Å; T234-K238 WeakPolarHBondContact O-CG 3.29Å; T234-K238 PolarHBondContact O-N 2.85Å
235E80.5Confident78.8Confident76 Ų7652.4 Ų52.436%0.35525%0.247SC..Hα-helixtrans-60.9-37.9175.7-173.1179.9-17800112S231 R232 Y233 L239 R309S231-E235 PolarHBondContact O-N 3.49Å; R232-E235 WeakPolarHBondContact CD-OE2 3.36Å; R232-E235 IonicContact CZ-OE2 2.72Å; R232-E235 IonicContact NE-OE2 3.29Å; R232-E235 IonicContact NH1-OE1 3.14Å; R232-E235 PolarHBondContact NH1-OE1 2.99Å; R232-E235 IonicContact NH1-OE2 3.96Å; R232-E235 PolarHBondContact NH1-OE2 2.76Å; Y233-E235 PolarHBondContact O-N 2.93Å; E235-L239 WeakPolarHBondContact O-CG 3.36Å; E235-R309 IonicContact OE1-NH2 3.6Å
236L83.6Confident78.7Confident7 Ų753.4 Ų53.44%0.03725%0.252CS..Hα-helixtrans-70.8-45.5177179.963.6000112.7R232 Y233 T234 K238 L239 L240 H257 I330 L332R232-L236 WeakPolarHBondContact O-CB 3.38Å; R232-L236 PolarHBondContact O-N 2.68Å; Y233-L236 HydrophobicContact CD1-CD2 4.22Å; Y233-L236 HydrophobicContact CE1-CD2 4.46Å; Y233-L236 PolarHBondContact O-N 2.66Å; Y233-L236 VanDerWaalsContact O-N 3.17Å; T234-L236 VanDerWaalsContact C-N 3.31Å; T234-L236 PolarHBondContact O-N 2.92Å; L236-K238 VanDerWaalsContact C-N 3.33Å; L236-K238 PolarHBondContact O-N 3.28Å; L236-L239 PolarHBondContact O-N 3.46Å; L236-L240 HydrophobicContact CD1-CD1 4.16Å; L236-L240 HydrophobicContact CD1-CG 4.21Å; L236-L240 HydrophobicContact CD2-CD1 4.38Å; L236-L240 HydrophobicContact CG-CD1 3.79Å; L236-L240 HydrophobicContact CG-CG 4.29Å; L236-L240 WeakPolarHBondContact O-CB 3.43Å; L236-L240 VanDerWaalsContact O-CG 3.29Å; L236-L240 WeakPolarHBondContact O-CG 3.16Å; L236-L240 PolarHBondContact O-N 3.1Å; L236-H257 HydrophobicContact CD2-CB 3.97Å; L236-I330 HydrophobicContact CD1-CD1 3.88Å; L236-I330 HydrophobicContact CD1-CG2 4.39Å; L236-I330 HydrophobicContact CD2-CD1 3.83Å; L236-I330 HydrophobicContact CG-CD1 4.31Å; L236-L332 HydrophobicContact CD1-CD2 3.89Å
237I83Confident78.8Confident22 Ų2255.8 Ų55.811%0.11327%0.267CS..Hα-helixtrans-63.3-39.9-177.8-67.7-70.1000111Y233 T234 L239 L240 N241 T258 Y261Y233-I237 WeakPolarHBondContact O-CB 3.42Å; Y233-I237 VanDerWaalsContact O-CG1 3.23Å; Y233-I237 WeakPolarHBondContact O-CG1 3.33Å; Y233-I237 PolarHBondContact O-N 2.99Å; T234-I237 PolarHBondContact O-N 2.77Å; I237-L239 PolarHBondContact O-N 3.25Å; I237-L240 HydrophobicContact CD1-CD1 4.4Å; I237-L240 PolarHBondContact O-N 3.24Å; I237-N241 WeakPolarHBondContact O-CB 3.24Å; I237-N241 PolarHBondContact O-N 2.92Å; I237-N241 PolarHBondContact O-OD1 3.24Å; I237-T258 HydrophobicContact CD1-CG2 3.71Å; I237-Y261 HydrophobicContact CG1-CD1 4.41Å; I237-Y261 HydrophobicContact CG1-CD2 4.26Å; I237-Y261 HydrophobicContact CG1-CG 3.91Å
238K82.1Confident79Confident74 Ų7456.7 Ų56.732%0.32229%0.285SS..Hα-helixtrans-59.8-46.2174.9-69.7-171.2179-1480112.6T234 L236 L240 N241 E242 N287 D288T234-K238 WeakPolarHBondContact O-CG 3.29Å; T234-K238 PolarHBondContact O-N 2.85Å; L236-K238 VanDerWaalsContact C-N 3.33Å; L236-K238 PolarHBondContact O-N 3.28Å; K238-L240 VanDerWaalsContact C-N 3.31Å; K238-L240 PolarHBondContact O-N 3.43Å; K238-N241 PolarHBondContact O-N 2.94Å; K238-E242 WeakPolarHBondContact O-CB 3.39Å; K238-E242 PolarHBondContact O-N 3.42Å; K238-N287 PolarHBondContact NZ-O 2.84Å; K238-D288 IonicContact NZ-OD1 3.87Å; K238-D288 PolarHBondContact NZ-OD1 2.04Å
239L81.1Confident78.7Confident23 Ų2359.8 Ų59.812%0.1230%0.298CS..Hα-helixtrans-66.2-32.1177-65.3172.2000112.9E235 L236 I237 E242 E243 L332 V336 L340E235-L239 WeakPolarHBondContact O-CG 3.36Å; L236-L239 PolarHBondContact O-N 3.46Å; I237-L239 PolarHBondContact O-N 3.25Å; L239-E242 WeakPolarHBondContact CD2-OE2 3.49Å; L239-E243 PolarHBondContact O-N 2.91Å; L239-E243 VanDerWaalsContact O-N 3.12Å; L239-L332 HydrophobicContact CD1-CD1 4.15Å; L239-V336 HydrophobicContact CB-CG1 3.81Å; L239-V336 HydrophobicContact CD1-CG1 4.11Å; L239-V336 HydrophobicContact CD2-CG1 4.12Å; L239-V336 HydrophobicContact CG-CG1 4.23Å; L239-V336 WeakPolarHBondContact O-CG2 3.37Å; L239-L340 HydrophobicContact CD1-CD1 4.13Å; L239-L340 HydrophobicContact CD1-CD2 4.21Å; L239-L340 HydrophobicContact CD1-CG 4.3Å; L239-L340 HydrophobicContact CD2-CD2 3.9Å; L239-L340 HydrophobicContact CD2-CG 3.96Å
240L81.2Confident78.7Confident11 Ų1159.8 Ų59.86%0.05830%0.303CS..Hα-helixtrans-73.1-35175.5-74173.5000112.4L236 I237 K238 L244 P251 Y254 H257L236-L240 HydrophobicContact CD1-CD1 4.16Å; L236-L240 HydrophobicContact CD1-CG 4.21Å; L236-L240 HydrophobicContact CD2-CD1 4.38Å; L236-L240 HydrophobicContact CG-CD1 3.79Å; L236-L240 HydrophobicContact CG-CG 4.29Å; L236-L240 WeakPolarHBondContact O-CB 3.43Å; L236-L240 VanDerWaalsContact O-CG 3.29Å; L236-L240 WeakPolarHBondContact O-CG 3.16Å; L236-L240 PolarHBondContact O-N 3.1Å; I237-L240 HydrophobicContact CD1-CD1 4.4Å; I237-L240 PolarHBondContact O-N 3.24Å; K238-L240 VanDerWaalsContact C-N 3.31Å; K238-L240 PolarHBondContact O-N 3.43Å; L240-L244 WeakPolarHBondContact O-CB 3.44Å; L240-L244 PolarHBondContact O-N 3.18Å; L240-P251 HydrophobicContact CD2-CB 3.65Å; L240-P251 HydrophobicContact CD2-CG 3.77Å; L240-Y254 HydrophobicContact CB-CD2 3.93Å; L240-Y254 HydrophobicContact CB-CE2 4.09Å; L240-H257 HydrophobicContact CD1-CB 3.56Å
241N80.5Confident78.5Confident53 Ų5360.5 Ų60.528%0.28331%0.308SS..Hα-helixtrans-69.2-44.4172.3-66.63000110.8I237 K238 E243 L244 E245 Y254I237-N241 WeakPolarHBondContact O-CB 3.24Å; I237-N241 PolarHBondContact O-N 2.92Å; I237-N241 PolarHBondContact O-OD1 3.24Å; K238-N241 PolarHBondContact O-N 2.94Å; N241-E243 VanDerWaalsContact C-N 3.27Å; N241-E243 PolarHBondContact O-N 3.49Å; N241-L244 WeakPolarHBondContact O-CB 3.48Å; N241-L244 PolarHBondContact O-N 3.34Å; N241-L244 VanDerWaalsContact O-N 3.07Å; N241-E245 WeakPolarHBondContact O-CG 3.37Å; N241-E245 PolarHBondContact O-N 3.37Å; N241-Y254 PolarHBondContact OD1-OH 3.45Å
242E78.3Confident78.4Confident50 Ų5063.6 Ų63.623%0.23434%0.335CS..Hα-helixtrans-55.8-41.3174.8-163.4-172.8-172.500111.1K238 L239 L246 L339 S343K238-E242 WeakPolarHBondContact O-CB 3.39Å; K238-E242 PolarHBondContact O-N 3.42Å; L239-E242 WeakPolarHBondContact CD2-OE2 3.49Å; E242-L246 HydrophobicContact CG-CD1 4.14Å; E242-L246 WeakPolarHBondContact O-CB 3.37Å; E242-L246 WeakPolarHBondContact O-CD1 3.38Å; E242-L246 WeakPolarHBondContact O-CG 3.47Å; E242-L246 PolarHBondContact O-N 2.85Å; E242-L246 VanDerWaalsContact O-N 3.13Å; E242-L339 HydrophobicContact CG-CD1 4.02Å; E242-L339 HydrophobicContact CG-CD2 4.42Å; E242-S343 PolarHBondContact OE1-OG 2.87Å
243E73Confident78.4Confident20 Ų2063.3 Ų63.39%0.09334%0.341CS..Hα-helixtrans-70.2-39.2173.6-175.4167.3-153.100113.5L239 N241 L246 T247 P251 S333 S335 V336L239-E243 PolarHBondContact O-N 2.91Å; L239-E243 VanDerWaalsContact O-N 3.12Å; N241-E243 VanDerWaalsContact C-N 3.27Å; N241-E243 PolarHBondContact O-N 3.49Å; E243-L246 PolarHBondContact O-N 3.16Å; E243-T247 HydrophobicContact CG-CG2 3.92Å; E243-T247 WeakPolarHBondContact O-CB 3.45Å; E243-T247 WeakPolarHBondContact O-CG2 3.44Å; E243-T247 PolarHBondContact O-N 3.28Å; E243-T247 PolarHBondContact O-OG1 3.49Å; E243-P251 HydrophobicContact CB-CG 3.84Å; E243-P251 HydrophobicContact CG-CG 3.79Å; E243-P251 WeakPolarHBondContact OE2-CG 3.43Å; E243-S333 WeakPolarHBondContact OE1-CB 3.46Å; E243-S333 PolarHBondContact OE1-OG 3.34Å; E243-S333 WeakPolarHBondContact OE2-CB 3.49Å; E243-S333 PolarHBondContact OE2-OG 3.29Å; E243-S335 WeakPolarHBondContact OE1-CB 3.37Å; E243-S335 PolarHBondContact OE1-OG 3.39Å; E243-V336 HydrophobicContact CB-CG2 3.71Å; E243-V336 HydrophobicContact CG-CG2 4.32Å; E243-V336 VanDerWaalsContact OE2-CG2 3.31Å; E243-V336 WeakPolarHBondContact OE2-CG2 3.39Å
244L76.7Confident78.2Confident54 Ų5462.7 Ų62.728%0.28334%0.339SS..Hα-helixtrans-61.5-43.8175.5170.561.9000111.4L240 N241 G248 P250 Y254L240-L244 WeakPolarHBondContact O-CB 3.44Å; L240-L244 PolarHBondContact O-N 3.18Å; N241-L244 WeakPolarHBondContact O-CB 3.48Å; N241-L244 PolarHBondContact O-N 3.34Å; N241-L244 VanDerWaalsContact O-N 3.07Å; L244-G248 VanDerWaalsContact O-CA 3.28Å; L244-G248 WeakPolarHBondContact O-CA 3.32Å; L244-G248 PolarHBondContact O-N 3.16Å; L244-P250 HydrophobicContact CD1-CB 4.37Å; L244-Y254 HydrophobicContact CD2-CE2 4.35Å
245E77.6Confident78.4Confident161 Ų16168.5 Ų68.575%0.75237%0.369SS*.Hα-helixtrans-65.1-40.6177.6-73.1173.7-161.900112.4N241N241-E245 WeakPolarHBondContact O-CG 3.37Å; N241-E245 PolarHBondContact O-N 3.37Å
246L72.5Confident78.4Confident115 Ų11570.8 Ų70.860%0.60238%0.38SS*.Hα-helixtrans-85.9-20.9-175.5-72.3167.7000114.9E242 E243 L339E242-L246 HydrophobicContact CG-CD1 4.14Å; E242-L246 WeakPolarHBondContact O-CB 3.37Å; E242-L246 WeakPolarHBondContact O-CD1 3.38Å; E242-L246 WeakPolarHBondContact O-CG 3.47Å; E242-L246 PolarHBondContact O-N 2.85Å; E242-L246 VanDerWaalsContact O-N 3.13Å; E243-L246 PolarHBondContact O-N 3.16Å; L246-L339 HydrophobicContact CD1-CD1 3.56Å; L246-L339 HydrophobicContact CD1-CD2 3.27Å; L246-L339 HydrophobicContact CD1-CG 4.01Å
247T77.2Confident78.3Confident60 Ų6072.5 Ų72.537%0.36839%0.387SS..Hα-helixtrans-103.8-22.5176.664.80000113.3E243 Y249E243-T247 HydrophobicContact CG-CG2 3.92Å; E243-T247 WeakPolarHBondContact O-CB 3.45Å; E243-T247 WeakPolarHBondContact O-CG2 3.44Å; E243-T247 PolarHBondContact O-N 3.28Å; E243-T247 PolarHBondContact O-OG1 3.49Å; T247-Y249 WeakPolarHBondContact O-CD2 3.4Å; T247-Y249 PolarHBondContact O-N 3.29Å; T247-Y249 PolarHBondContact OG1-N 3.1Å; T247-Y249 PolarHBondContact OG1-O 3.15Å
248G78Confident78.3Confident56 Ų5672.7 Ų72.758%0.57739%0.39SS*.SBendtrans75.33.4-169.400000114.4L244L244-G248 VanDerWaalsContact O-CA 3.28Å; L244-G248 WeakPolarHBondContact O-CA 3.32Å; L244-G248 PolarHBondContact O-N 3.16Å
249Y68.4Low78.4Confident179 Ų17975 Ų7570%0.70240%0.401SS*.SBendtrans-130.2139.8-176.3-62.6-76000111.5T247T247-Y249 WeakPolarHBondContact O-CD2 3.4Å; T247-Y249 PolarHBondContact O-N 3.29Å; T247-Y249 PolarHBondContact OG1-N 3.1Å; T247-Y249 PolarHBondContact OG1-O 3.15Å
250P78.5Confident78.4Confident84 Ų8474.6 Ų74.655%0.54540%0.401SS..PPolyproline II helixtrans-66.8132.1177.626.9-33.4000110.6L244 Y254L244-P250 HydrophobicContact CD1-CB 4.37Å; P250-Y254 HydrophobicContact CB-CD1 4.25Å; P250-Y254 HydrophobicContact CB-CG 4.18Å
251P79.1Confident78.5Confident18 Ų1875 Ų7512%0.11740%0.402CS..PPolyproline II helixtrans-58158.6175.7-26.133.8000113.4L240 E243 N253 Y254L240-P251 HydrophobicContact CD2-CB 3.65Å; L240-P251 HydrophobicContact CD2-CG 3.77Å; E243-P251 HydrophobicContact CB-CG 3.84Å; E243-P251 HydrophobicContact CG-CG 3.79Å; E243-P251 WeakPolarHBondContact OE2-CG 3.43Å; P251-N253 PolarHBondContact O-N 2.97Å; P251-Y254 WeakPolarHBondContact O-CB 3.2Å; P251-Y254 PolarHBondContact O-N 3.32Å
252A74.8Confident78.7Confident89 Ų8979.2 Ų79.274%0.73642%0.415SS*.THydrogen-bonded Turntrans-54132.6171.600000110.7Y254A252-Y254 PolarHBondContact O-N 3.15Å
253N77.5Confident79Confident99 Ų9980.2 Ų80.253%0.52942%0.42SS..THydrogen-bonded Turntrans62.816.3-176.7-52.3-15.4000115.8P251 L255 Q256 H257P251-N253 PolarHBondContact O-N 2.97Å; N253-L255 VanDerWaalsContact C-N 3.32Å; N253-L255 PolarHBondContact O-N 3.2Å; N253-Q256 HydrophobicContact CB-CB 4.24Å; N253-Q256 WeakPolarHBondContact O-CB 3.48Å; N253-Q256 PolarHBondContact O-N 3.33Å; N253-H257 PolarHBondContact O-CD2 3Å; N253-H257 PolarHBondContact O-N 3.03Å
254Y79.4Confident79.3Confident49 Ų4979.4 Ų79.419%0.19242%0.416CS..Hα-helixtrans-47.1-51176.2179.6-97.2000112.9L240 N241 L244 P250 P251 A252 Q256 H257 T258L240-Y254 HydrophobicContact CB-CD2 3.93Å; L240-Y254 HydrophobicContact CB-CE2 4.09Å; N241-Y254 PolarHBondContact OD1-OH 3.45Å; L244-Y254 HydrophobicContact CD2-CE2 4.35Å; P250-Y254 HydrophobicContact CB-CD1 4.25Å; P250-Y254 HydrophobicContact CB-CG 4.18Å; P251-Y254 WeakPolarHBondContact O-CB 3.2Å; P251-Y254 PolarHBondContact O-N 3.32Å; A252-Y254 PolarHBondContact O-N 3.15Å; Y254-Q256 VanDerWaalsContact C-N 3.3Å; Y254-Q256 PolarHBondContact O-N 3.39Å; Y254-H257 PolarHBondContact O-N 2.85Å; Y254-T258 HydrophobicContact CD1-CG2 4.18Å; Y254-T258 HydrophobicContact CE1-CG2 3.88Å; Y254-T258 HydrophobicContact CE2-CG2 4.37Å; Y254-T258 WeakPolarHBondContact O-CG2 3.42Å; Y254-T258 PolarHBondContact O-N 3.5Å; Y254-T258 PolarHBondContact O-OG1 3.19Å
255L83.2Confident79.6Confident139 Ų13977 Ų7773%0.72840%0.403SS*.Hα-helixtrans-62.7-32178.8-122.379.2000113.8N253 T258 H259N253-L255 VanDerWaalsContact C-N 3.32Å; N253-L255 PolarHBondContact O-N 3.2Å; L255-T258 WeakPolarHBondContact CA-OG1 3.48Å; L255-T258 PolarHBondContact O-OG1 2.92Å; L255-H259 WeakPolarHBondContact O-CB 3.4Å; L255-H259 PolarHBondContact O-N 3.23Å; L255-H259 VanDerWaalsContact O-N 3.09Å
256Q80.7Confident79.7Confident124 Ų12474.4 Ų74.458%0.57939%0.391SS*.Hα-helixtrans-74.9-37.4178.2-169.6-177.223.400110.8N253 Y254 A260N253-Q256 HydrophobicContact CB-CB 4.24Å; N253-Q256 WeakPolarHBondContact O-CB 3.48Å; N253-Q256 PolarHBondContact O-N 3.33Å; Y254-Q256 VanDerWaalsContact C-N 3.3Å; Y254-Q256 PolarHBondContact O-N 3.39Å; Q256-A260 WeakPolarHBondContact O-CB 3.27Å; Q256-A260 PolarHBondContact O-N 3.31Å
257H80.8Confident80Confident43 Ų4369.8 Ų69.820%0.19937%0.369CS..Hα-helixtrans-72.7-35.1176.2-69.1-43.9000112.4L236 L240 N253 Y254 Y261L236-H257 HydrophobicContact CD2-CB 3.97Å; L240-H257 HydrophobicContact CD1-CB 3.56Å; N253-H257 PolarHBondContact O-CD2 3Å; N253-H257 PolarHBondContact O-N 3.03Å; Y254-H257 PolarHBondContact O-N 2.85Å; H257-Y261 WeakPolarHBondContact O-CB 3.38Å; H257-Y261 PolarHBondContact O-N 3.33Å
258T83.6Confident80Confident26 Ų2667.1 Ų67.116%0.1635%0.353CS..Hα-helixtrans-66.9-41.8171.263.50000111.7I237 Y254 L255 Y261 Y262I237-T258 HydrophobicContact CD1-CG2 3.71Å; Y254-T258 HydrophobicContact CD1-CG2 4.18Å; Y254-T258 HydrophobicContact CE1-CG2 3.88Å; Y254-T258 HydrophobicContact CE2-CG2 4.37Å; Y254-T258 WeakPolarHBondContact O-CG2 3.42Å; Y254-T258 PolarHBondContact O-N 3.5Å; Y254-T258 PolarHBondContact O-OG1 3.19Å; L255-T258 WeakPolarHBondContact CA-OG1 3.48Å; L255-T258 PolarHBondContact O-OG1 2.92Å; T258-Y261 WeakPolarHBondContact O-CB 3.47Å; T258-Y261 PolarHBondContact O-N 3.34Å; T258-Y262 WeakPolarHBondContact O-CD2 3.22Å; T258-Y262 PolarHBondContact O-N 3.19Å; T258-Y262 VanDerWaalsContact O-N 3.11Å
259H83.8Confident80.2Confident122 Ų12268.7 Ų68.757%0.56534%0.344SS*.Hα-helixtrans-58.6-50.4174.2-163.8-86.1000111.9L255 Y261 Y262 E263L255-H259 WeakPolarHBondContact O-CB 3.4Å; L255-H259 PolarHBondContact O-N 3.23Å; L255-H259 VanDerWaalsContact O-N 3.09Å; H259-Y261 VanDerWaalsContact C-N 3.28Å; H259-Y261 PolarHBondContact O-N 2.89Å; H259-Y262 PolarHBondContact O-N 3.4Å; H259-E263 IonicContact CE1-OE1 2.65Å; H259-E263 PolarHBondContact CE1-OE1 2.92Å; H259-E263 VanDerWaalsContact CE1-OE1 3.29Å; H259-E263 IonicContact CG-OE1 2.88Å; H259-E263 IonicContact ND1-OE1 2.72Å; H259-E263 PolarHBondContact ND1-OE1 3.05Å; H259-E263 PolarHBondContact O-N 3.3Å
260A81.3Confident80.7Confident14 Ų1463.7 Ų63.712%0.11633%0.326CS..Hα-helixtrans-67.2-25.4179.500000113.7Y233 Q256 A264Y233-A260 HydrophobicContact CD1-CB 4.31Å; Y233-A260 HydrophobicContact CE1-CB 3.54Å; Y233-A260 HydrophobicContact CE2-CB 4.41Å; Q256-A260 WeakPolarHBondContact O-CB 3.27Å; Q256-A260 PolarHBondContact O-N 3.31Å; A260-A264 WeakPolarHBondContact O-CB 3.46Å; A260-A264 PolarHBondContact O-N 3.36Å
261Y84.7Confident80.7Confident19 Ų1960.6 Ų60.68%0.07531%0.305CS..Hα-helixtrans-65.3-45.5167.5168-107.7000111.7L230 I237 H257 T258 H259 A264 L265L230-Y261 HydrophobicContact CD1-CD2 3.98Å; L230-Y261 HydrophobicContact CD1-CE2 3.68Å; I237-Y261 HydrophobicContact CG1-CD1 4.41Å; I237-Y261 HydrophobicContact CG1-CD2 4.26Å; I237-Y261 HydrophobicContact CG1-CG 3.91Å; H257-Y261 WeakPolarHBondContact O-CB 3.38Å; H257-Y261 PolarHBondContact O-N 3.33Å; T258-Y261 WeakPolarHBondContact O-CB 3.47Å; T258-Y261 PolarHBondContact O-N 3.34Å; H259-Y261 VanDerWaalsContact C-N 3.28Å; H259-Y261 PolarHBondContact O-N 2.89Å; Y261-A264 PolarHBondContact O-N 3.02Å; Y261-L265 HydrophobicContact CE1-CD2 4.37Å; Y261-L265 WeakPolarHBondContact O-CB 3.32Å; Y261-L265 PolarHBondContact O-N 3.24Å
262Y84.6Confident80.2Confident142 Ų14262.5 Ų62.556%0.55731%0.312SS*.Hα-helixtrans-67-38.6176.8-67.4-59.6000112.4T258 H259 A264 L265 E266T258-Y262 WeakPolarHBondContact O-CD2 3.22Å; T258-Y262 PolarHBondContact O-N 3.19Å; T258-Y262 VanDerWaalsContact O-N 3.11Å; H259-Y262 PolarHBondContact O-N 3.4Å; Y262-A264 PolarHBondContact O-N 2.67Å; Y262-L265 HydrophobicContact CD1-CD2 4.29Å; Y262-L265 PolarHBondContact O-N 2.94Å; Y262-E266 PolarHBondContact O-N 3.47Å
263E82.9Confident79.7Confident72 Ų7259.9 Ų59.934%0.33629%0.294SS..Hα-helixtrans-56.9-46169.7-71.7172.1-142.500112.1H259 L265 E266 A267H259-E263 IonicContact CE1-OE1 2.65Å; H259-E263 PolarHBondContact CE1-OE1 2.92Å; H259-E263 VanDerWaalsContact CE1-OE1 3.29Å; H259-E263 IonicContact CG-OE1 2.88Å; H259-E263 IonicContact ND1-OE1 2.72Å; H259-E263 PolarHBondContact ND1-OE1 3.05Å; H259-E263 PolarHBondContact O-N 3.3Å; E263-L265 VanDerWaalsContact C-N 3.32Å; E263-L265 PolarHBondContact O-N 2.8Å; E263-E266 PolarHBondContact O-N 3.28Å; E263-A267 WeakPolarHBondContact O-CB 3.45Å; E263-A267 PolarHBondContact O-N 3.3Å
264A80.7Confident78.7Confident2 Ų263.4 Ų63.42%0.01731%0.313CS..Hα-helixtrans-65.4-36.117800000112.2L229 L230 Y233 A260 Y261 Y262 A267 F268L229-A264 HydrophobicContact CD2-CB 3.82Å; L229-A264 HydrophobicContact CG-CB 4.1Å; L230-A264 HydrophobicContact CB-CB 4.49Å; L230-A264 HydrophobicContact CD1-CB 4.39Å; Y233-A264 HydrophobicContact CD2-CB 3.68Å; Y233-A264 HydrophobicContact CE2-CB 4.21Å; A260-A264 WeakPolarHBondContact O-CB 3.46Å; A260-A264 PolarHBondContact O-N 3.36Å; Y261-A264 PolarHBondContact O-N 3.02Å; Y262-A264 PolarHBondContact O-N 2.67Å; A264-A267 PolarHBondContact O-N 3.1Å; A264-F268 VanDerWaalsContact O-CB 3.32Å; A264-F268 WeakPolarHBondContact O-CB 3.25Å; A264-F268 PolarHBondContact O-N 3.22Å
265L81.8Confident77.5Confident4 Ų468.7 Ų68.72%0.02135%0.345CS..Hα-helixtrans-70.3-38.1177.1-171.565000111.9L230 Y261 Y262 E263 K269 Y281 I284 T285L230-L265 HydrophobicContact CD1-CB 4.06Å; L230-L265 HydrophobicContact CD1-CD1 3.97Å; L230-L265 HydrophobicContact CD2-CD1 3.79Å; Y261-L265 HydrophobicContact CE1-CD2 4.37Å; Y261-L265 WeakPolarHBondContact O-CB 3.32Å; Y261-L265 PolarHBondContact O-N 3.24Å; Y262-L265 HydrophobicContact CD1-CD2 4.29Å; Y262-L265 PolarHBondContact O-N 2.94Å; E263-L265 VanDerWaalsContact C-N 3.32Å; E263-L265 PolarHBondContact O-N 2.8Å; L265-K269 WeakPolarHBondContact O-CG 3.1Å; L265-K269 PolarHBondContact O-N 3.16Å; L265-K269 VanDerWaalsContact O-N 3.12Å; L265-Y281 HydrophobicContact CD1-CD2 4.22Å; L265-Y281 HydrophobicContact CD1-CE2 3.76Å; L265-Y281 HydrophobicContact CD2-CE2 3.77Å; L265-Y281 HydrophobicContact CG-CE2 3.83Å; L265-I284 HydrophobicContact CD1-CG2 4.42Å; L265-T285 HydrophobicContact CD2-CG2 4.49Å
266E80.2Confident76.1Confident107 Ų10763.5 Ų63.550%0.532%0.317SS..Hα-helixtrans-66.6-45.5169.5-79.9-158.7-17200112.2Y262 E263 F268 K269 K270Y262-E266 PolarHBondContact O-N 3.47Å; E263-E266 PolarHBondContact O-N 3.28Å; E266-F268 PolarHBondContact O-N 2.93Å; E266-K269 PolarHBondContact O-N 3.03Å; E266-K270 WeakPolarHBondContact O-CB 3.42Å; E266-K270 VanDerWaalsContact O-CG 3.27Å; E266-K270 WeakPolarHBondContact O-CG 3.45Å; E266-K270 PolarHBondContact O-N 3.02Å; E266-K270 IonicContact OE2-NZ 2.77Å; E266-K270 PolarHBondContact OE2-NZ 3.39Å; E266-K270 VanDerWaalsContact OE2-NZ 3.12Å
267A77.8Confident74.8Confident17 Ų1760.2 Ų60.214%0.1431%0.308CS..Hα-helixtrans-58.2-36.3176.800000111.4T226 E263 A264 K270 V271T226-A267 HydrophobicContact CG2-CB 4.09Å; E263-A267 WeakPolarHBondContact O-CB 3.45Å; E263-A267 PolarHBondContact O-N 3.3Å; A264-A267 PolarHBondContact O-N 3.1Å; A267-K270 PolarHBondContact O-N 3.2Å; A267-V271 WeakPolarHBondContact O-CB 3.33Å; A267-V271 WeakPolarHBondContact O-CG2 3.3Å; A267-V271 PolarHBondContact O-N 3.04Å
268F78.5Confident73.6Confident5 Ų562.9 Ų62.92%0.02232%0.324CS..Hα-helixtrans-65.3-47.9174.6-178.8-99.3000112.3T226 D227 L230 A264 E266 K270 V271 H272 L276 I284T226-F268 VanDerWaalsContact CG2-CA 3.4Å; T226-F268 HydrophobicContact CG2-CB 3.86Å; T226-F268 HydrophobicContact CG2-CD2 4.42Å; D227-F268 VanDerWaalsContact OD1-CE2 3.24Å; D227-F268 WeakPolarHBondContact OD1-CE2 3.24Å; L230-F268 HydrophobicContact CD2-CB 3.69Å; L230-F268 HydrophobicContact CD2-CD1 3.63Å; L230-F268 HydrophobicContact CD2-CD2 3.72Å; L230-F268 HydrophobicContact CD2-CE1 4.08Å; L230-F268 HydrophobicContact CD2-CE2 4.18Å; L230-F268 HydrophobicContact CD2-CG 3.42Å; L230-F268 VanDerWaalsContact CD2-CG 3.42Å; L230-F268 HydrophobicContact CD2-CZ 4.35Å; A264-F268 VanDerWaalsContact O-CB 3.32Å; A264-F268 WeakPolarHBondContact O-CB 3.25Å; A264-F268 PolarHBondContact O-N 3.22Å; E266-F268 PolarHBondContact O-N 2.93Å; F268-K270 VanDerWaalsContact C-N 3.35Å; F268-K270 PolarHBondContact O-N 2.92Å; F268-V271 PolarHBondContact O-N 3.42Å; F268-V271 VanDerWaalsContact O-N 3.12Å; F268-H272 AromaticContact CD2-CD2 3.53Å; F268-H272 AromaticContact CD2-NE2 3.68Å; F268-H272 AromaticContact CE2-CD2 3.44Å; F268-H272 VanDerWaalsContact CE2-CD2 3.44Å; F268-H272 WeakPolarHBondContact CE2-CD2 3.46Å; F268-H272 AromaticContact CE2-NE2 3.37Å; F268-H272 WeakPolarHBondContact CE2-NE2 3Å; F268-H272 AromaticContact CG-CD2 3.95Å; F268-H272 AromaticContact CZ-CD2 3.79Å; F268-H272 PolarHBondContact O-CD2 2.91Å; F268-H272 PolarHBondContact O-N 3.01Å; F268-L276 HydrophobicContact CD1-CD1 4.24Å; F268-L276 HydrophobicContact CD1-CD2 4.44Å; F268-L276 HydrophobicContact CE1-CD1 3.33Å; F268-L276 HydrophobicContact CE1-CD2 3.76Å; F268-L276 HydrophobicContact CE1-CG 4.19Å; F268-L276 HydrophobicContact CZ-CD1 3.58Å; F268-I284 HydrophobicContact CD1-CD1 4.44Å; F268-I284 HydrophobicContact CE1-CD1 3.45Å; F268-I284 VanDerWaalsContact CE1-CD1 3.45Å; F268-I284 HydrophobicContact CZ-CD1 3.54Å
269K81.4Confident71.9Confident88 Ų8869.1 Ų69.138%0.38335%0.351SS..Hα-helixtrans-56.8-45.9170.6-67.7175.3-171.9176.50111.9L265 E266 V271 G273 Y281L265-K269 WeakPolarHBondContact O-CG 3.1Å; L265-K269 PolarHBondContact O-N 3.16Å; L265-K269 VanDerWaalsContact O-N 3.12Å; E266-K269 PolarHBondContact O-N 3.03Å; K269-V271 PolarHBondContact O-N 3.38Å; K269-V271 VanDerWaalsContact O-N 3.11Å; K269-G273 WeakPolarHBondContact O-CA 3.15Å; K269-G273 PolarHBondContact O-N 3.4Å; K269-Y281 PolarHBondContact NZ-OH 3.21Å
270K80.3Confident70.5Confident75 Ų7566 Ų6633%0.32634%0.338SS..Hα-helixtrans-66.7-7178.5-68.8168.2-179.8175.80114.3D125 E266 A267 F268D125-K270 WeakPolarHBondContact OD1-CD 3.49Å; D125-K270 IonicContact OD1-NZ 3.12Å; D125-K270 PolarHBondContact OD1-NZ 3.18Å; D125-K270 IonicContact OD2-NZ 3.02Å; D125-K270 PolarHBondContact OD2-NZ 3.07Å; E266-K270 WeakPolarHBondContact O-CB 3.42Å; E266-K270 VanDerWaalsContact O-CG 3.27Å; E266-K270 WeakPolarHBondContact O-CG 3.45Å; E266-K270 PolarHBondContact O-N 3.02Å; E266-K270 IonicContact OE2-NZ 2.77Å; E266-K270 PolarHBondContact OE2-NZ 3.39Å; E266-K270 VanDerWaalsContact OE2-NZ 3.12Å; A267-K270 PolarHBondContact O-N 3.2Å; F268-K270 VanDerWaalsContact C-N 3.35Å; F268-K270 PolarHBondContact O-N 2.92Å
271V77.5Confident69.1Low18 Ų1868.8 Ų68.811%0.10935%0.346CS..Hα-helixtrans-108.8-43.61791670000112.2R222 E223 T226 A267 F268 K269R222-V271 HydrophobicContact CG-CG2 3.89Å; E223-V271 HydrophobicContact CB-CG1 4.28Å; E223-V271 HydrophobicContact CG-CG1 3.7Å; T226-V271 HydrophobicContact CG2-CG2 4.36Å; A267-V271 WeakPolarHBondContact O-CB 3.33Å; A267-V271 WeakPolarHBondContact O-CG2 3.3Å; A267-V271 PolarHBondContact O-N 3.04Å; F268-V271 PolarHBondContact O-N 3.42Å; F268-V271 VanDerWaalsContact O-N 3.12Å; K269-V271 PolarHBondContact O-N 3.38Å; K269-V271 VanDerWaalsContact O-N 3.11Å
272H68.8Low67.5Low58 Ų5873.3 Ų73.327%0.26937%0.368SS..Hα-helixtrans-85.2-19.7177.6-67.3-70.4000113.6D227 F268 L276D227-H272 IonicContact OD1-CD2 3.74Å; D227-H272 IonicContact OD1-CE1 3.5Å; D227-H272 PolarHBondContact OD1-CE1 3.38Å; D227-H272 IonicContact OD1-NE2 2.66Å; D227-H272 PolarHBondContact OD1-NE2 3.44Å; F268-H272 AromaticContact CD2-CD2 3.53Å; F268-H272 AromaticContact CD2-NE2 3.68Å; F268-H272 AromaticContact CE2-CD2 3.44Å; F268-H272 VanDerWaalsContact CE2-CD2 3.44Å; F268-H272 WeakPolarHBondContact CE2-CD2 3.46Å; F268-H272 AromaticContact CE2-NE2 3.37Å; F268-H272 WeakPolarHBondContact CE2-NE2 3Å; F268-H272 AromaticContact CG-CD2 3.95Å; F268-H272 AromaticContact CZ-CD2 3.79Å; F268-H272 PolarHBondContact O-CD2 2.91Å; F268-H272 PolarHBondContact O-N 3.01Å; H272-L276 HydrophobicContact CB-CB 4.24Å; H272-L276 HydrophobicContact CB-CD1 3.81Å
273G64.2Low65.8Low34 Ų3471 Ų7135%0.35136%0.363SS..  trans74.7-172.4-177.300000113.3K269 D275 L276K269-G273 WeakPolarHBondContact O-CA 3.15Å; K269-G273 PolarHBondContact O-N 3.4Å; G273-D275 PolarHBondContact O-N 3.32Å; G273-L276 PolarHBondContact O-N 2.95Å
274D56.8Low64.3Low173 Ų17368 Ų6893%0.92535%0.35SS*.THydrogen-bonded Turntrans-70.3-7.6179.3-54.2-51.6000113.1L276D274-L276 PolarHBondContact O-N 2.95Å
275D53.2Low62.9Low161 Ų16170.4 Ų70.486%0.86136%0.364SS*.THydrogen-bonded Turntrans-67-12.4171.4-75.6-35.6000112.9G273 S277G273-D275 PolarHBondContact O-N 3.32Å; D275-S277 PolarHBondContact O-N 3.01Å; D275-S277 VanDerWaalsContact O-N 3.08Å
276L55.1Low61.2Low30 Ų3074.9 Ų74.916%0.15739%0.388CS..SBendtrans-76.694.6173.3-163.1120.2000110.3F268 H272 G273 D274 I280F268-L276 HydrophobicContact CD1-CD1 4.24Å; F268-L276 HydrophobicContact CD1-CD2 4.44Å; F268-L276 HydrophobicContact CE1-CD1 3.33Å; F268-L276 HydrophobicContact CE1-CD2 3.76Å; F268-L276 HydrophobicContact CE1-CG 4.19Å; F268-L276 HydrophobicContact CZ-CD1 3.58Å; H272-L276 HydrophobicContact CB-CB 4.24Å; H272-L276 HydrophobicContact CB-CD1 3.81Å; G273-L276 PolarHBondContact O-N 2.95Å; D274-L276 PolarHBondContact O-N 2.95Å; L276-I280 HydrophobicContact CD1-CG2 4.05Å; L276-I280 HydrophobicContact CD2-CB 4.2Å; L276-I280 HydrophobicContact CD2-CG2 4.05Å; L276-I280 HydrophobicContact CG-CB 4.15Å; L276-I280 HydrophobicContact CG-CG2 4.01Å
277S53.4Low59.1Low54 Ų5473.8 Ų73.838%0.37839%0.385SS..  trans-51.8145.1-176.4650000113.1D275 Q279 I280 Y281D275-S277 PolarHBondContact O-N 3.01Å; D275-S277 VanDerWaalsContact O-N 3.08Å; S277-Q279 PolarHBondContact O-N 3.25Å; S277-I280 PolarHBondContact O-N 3.31Å; S277-Y281 PolarHBondContact O-N 3.07Å
278D54.8Low57.3Low100 Ų10079.8 Ų79.854%0.53542%0.415SS..Hα-helixtrans-48.1-32.9176.8-67.8-52.9000111.4Y281 E282 K1032D278-Y281 WeakPolarHBondContact O-CB 3.42Å; D278-Y281 PolarHBondContact O-N 3.41Å; D278-E282 PolarHBondContact O-N 3.17Å; D278-K1032 IonicContact OD1-NZ 2.73Å; D278-K1032 PolarHBondContact OD1-NZ 3.42Å; D278-K1032 IonicContact OD2-NZ 3.49Å; D278-K1032 PolarHBondContact OD2-NZ 2.9Å
279Q48.5Very low55Low156 Ų15684.1 Ų84.173%0.72945%0.446SS*.Hα-helixtrans-66.1-35.2178-169.4172.467.400114.3S277 M283S277-Q279 PolarHBondContact O-N 3.25Å; Q279-M283 WeakPolarHBondContact O-CB 3.36Å; Q279-M283 PolarHBondContact O-N 3.29Å
280I54.4Low52.6Low57 Ų5783.2 Ų83.229%0.29246%0.462SS..Hα-helixtrans-73.7-37172.1-63.9172000109.8L276 S277 M283 I284L276-I280 HydrophobicContact CD1-CG2 4.05Å; L276-I280 HydrophobicContact CD2-CB 4.2Å; L276-I280 HydrophobicContact CD2-CG2 4.05Å; L276-I280 HydrophobicContact CG-CB 4.15Å; L276-I280 HydrophobicContact CG-CG2 4.01Å; S277-I280 PolarHBondContact O-N 3.31Å; I280-M283 PolarHBondContact O-N 2.99Å; I280-I284 HydrophobicContact CG2-CD1 3.93Å; I280-I284 VanDerWaalsContact O-CG1 3.3Å; I280-I284 WeakPolarHBondContact O-CG1 3.45Å; I280-I284 PolarHBondContact O-N 3.4Å
281Y51.4Low50.4Low72 Ų7283.6 Ų83.628%0.28247%0.467SS..Hα-helixtrans-61.9-51.5176.4-174.3-107.7000111.6L265 K269 S277 D278 M283 I284 T285L265-Y281 HydrophobicContact CD1-CD2 4.22Å; L265-Y281 HydrophobicContact CD1-CE2 3.76Å; L265-Y281 HydrophobicContact CD2-CE2 3.77Å; L265-Y281 HydrophobicContact CG-CE2 3.83Å; K269-Y281 PolarHBondContact NZ-OH 3.21Å; S277-Y281 PolarHBondContact O-N 3.07Å; D278-Y281 WeakPolarHBondContact O-CB 3.42Å; D278-Y281 PolarHBondContact O-N 3.41Å; Y281-M283 VanDerWaalsContact C-N 3.33Å; Y281-M283 PolarHBondContact O-N 3.05Å; Y281-I284 PolarHBondContact O-N 2.95Å; Y281-I284 VanDerWaalsContact O-N 3.14Å; Y281-T285 PolarHBondContact O-N 2.81Å; Y281-T285 PolarHBondContact O-OG1 3.18Å
282E50.1Low48.3Very low114 Ų11491 Ų9153%0.53350%0.501SS..Hα-helixtrans-62.1-36.9174-71.8-164.9143.200112.7D278 I284 T285 N286D278-E282 PolarHBondContact O-N 3.17Å; E282-I284 PolarHBondContact O-N 3.47Å; E282-T285 PolarHBondContact O-N 2.99Å; E282-T285 PolarHBondContact O-OG1 3.48Å; E282-N286 VanDerWaalsContact O-CB 3.22Å; E282-N286 WeakPolarHBondContact O-CB 3.46Å; E282-N286 PolarHBondContact O-N 3.42Å
283M50.8Low47.1Very low94 Ų9492.1 Ų92.146%0.46351%0.508SS..Hα-helixtrans-65.4-28.4176.1-174.4174.363.600112.7Q279 I280 Y281Q279-M283 WeakPolarHBondContact O-CB 3.36Å; Q279-M283 PolarHBondContact O-N 3.29Å; I280-M283 PolarHBondContact O-N 2.99Å; Y281-M283 VanDerWaalsContact C-N 3.33Å; Y281-M283 PolarHBondContact O-N 3.05Å
284I51.2Low45.6Very low10 Ų1098.6 Ų98.65%0.05153%0.529CS..Hα-helixtrans-78.1-36.4173.4-70.1165.4000111.7L230 L265 F268 I280 Y281 E282 L291L230-I284 HydrophobicContact CD2-CD1 4.44Å; L230-I284 HydrophobicContact CD2-CG2 4.12Å; L230-I284 HydrophobicContact CG-CG2 4.42Å; L265-I284 HydrophobicContact CD1-CG2 4.42Å; F268-I284 HydrophobicContact CD1-CD1 4.44Å; F268-I284 HydrophobicContact CE1-CD1 3.45Å; F268-I284 VanDerWaalsContact CE1-CD1 3.45Å; F268-I284 HydrophobicContact CZ-CD1 3.54Å; I280-I284 HydrophobicContact CG2-CD1 3.93Å; I280-I284 VanDerWaalsContact O-CG1 3.3Å; I280-I284 WeakPolarHBondContact O-CG1 3.45Å; I280-I284 PolarHBondContact O-N 3.4Å; Y281-I284 PolarHBondContact O-N 2.95Å; Y281-I284 VanDerWaalsContact O-N 3.14Å; E282-I284 PolarHBondContact O-N 3.47Å; I284-L291 HydrophobicContact CG1-CD2 4.22Å
285T51Low44.5Very low51 Ų5196.9 Ų96.931%0.31352%0.52SS..Hα-helixtrans-90.2-29.6-174.659.80000114.7L265 Y281 E282L265-T285 HydrophobicContact CD2-CG2 4.49Å; Y281-T285 PolarHBondContact O-N 2.81Å; Y281-T285 PolarHBondContact O-OG1 3.18Å; E282-T285 PolarHBondContact O-N 2.99Å; E282-T285 PolarHBondContact O-OG1 3.48Å
286N45.8Very low43.5Very low99 Ų9999.3 Ų99.353%0.52952%0.523SS..Hα-helixtrans-116.9-4.4-160.5-57-9.8000116.1E282E282-N286 VanDerWaalsContact O-CB 3.22Å; E282-N286 WeakPolarHBondContact O-CB 3.46Å; E282-N286 PolarHBondContact O-N 3.42Å
287N35.9Very low42.2Very low83 Ų83100.8 Ų100.844%0.44455%0.546SS..  trans-119.8143.4-171.6-81.4-47.1000114.6K238K238-N287 PolarHBondContact NZ-O 2.84Å
288D39.4Very low41.1Very low143 Ų143109.8 Ų109.877%0.76557%0.571SS**  trans-91.4-3.1177.4-78.3-49.7000115.5K238K238-D288 IonicContact NZ-OD1 3.87Å; K238-D288 PolarHBondContact NZ-OD1 2.04Å
289S31.4Very low39.7Very low96 Ų96114.2 Ų114.267%0.67159%0.588SS**SBendtrans-91.3128.4176.942.30000112.3
290G30.8Very low38.8Very low69 Ų69111.8 Ų111.871%0.71160%0.595SS**  trans-55147.3-161.300000118.4Q292G290-Q292 VanDerWaalsContact C-N 3.33Å; G290-Q292 PolarHBondContact O-N 3.32Å
291L34.7Very low37.5Very low84 Ų84118 Ų11844%0.4462%0.62SS.*  trans-60.681.1174.9-78166.7000113.4I284 L293I284-L291 HydrophobicContact CG1-CD2 4.22Å; L291-L293 HydrophobicContact CD2-CD1 4.33Å
292Q33.7Very low36.1Very low174 Ų174119.5 Ų119.581%0.81364%0.641SS**  trans-90.786.7156.5-69.5-160.27200109.4G290 E294G290-Q292 VanDerWaalsContact C-N 3.33Å; G290-Q292 PolarHBondContact O-N 3.32Å; Q292-E294 PolarHBondContact O-N 2.96Å
293L43.3Very low34.9Very low81 Ų81118.9 Ų118.942%0.42465%0.645SS.*  trans-68.9100.5165.9-123.676.3000108.6L291 N295L291-L293 HydrophobicContact CD2-CD1 4.33Å; L293-N295 PolarHBondContact O-N 3.5Å
294E31.8Very low33.6Very low170 Ų170122.3 Ų122.379%0.79467%0.665SS**  trans-66.997.3169.4-79.8-152.2134.700110Q292 K296Q292-E294 PolarHBondContact O-N 2.96Å; E294-K296 PolarHBondContact O-N 3.44Å
295N34.5Very low32.3Very low137 Ų137130.6 Ų130.673%0.73370%0.701SS**  trans-61.5105.8165.3-89.8-18.1000109.2L293 G297L293-N295 PolarHBondContact O-N 3.5Å; N295-G297 PolarHBondContact O-N 3.39Å
296K31.8Very low31.2Very low211 Ų211134.7 Ų134.792%0.91772%0.719SS**  trans-67.476.2175.9-71.3-176.7177.6175.70111.3E294E294-K296 PolarHBondContact O-N 3.44Å
297G28.6Very low30.2Very low62 Ų62135.3 Ų135.364%0.63973%0.729SS**  trans-143.482.6-173.900000113.3N295N295-G297 PolarHBondContact O-N 3.39Å
298R29.4Very low29.9Very low243 Ų243138.8 Ų138.892%0.91774%0.744SS**SBendtrans51.8101.3168.5-61.5-171.3-178-155.30.9117A300R298-A300 PolarHBondContact O-N 3.02Å
299H25.6Very low29.6Very low192 Ų192140.1 Ų140.189%0.88974%0.739SS**  trans-1.8100.2160.9-54-72.2000118.1
300A28.6Very low29.6Very low105 Ų105137.7 Ų137.787%0.86873%0.728SS**  trans-102.5120.1151.700000108.2R298R298-A300 PolarHBondContact O-N 3.02Å
301K27Very low29.6Very low189 Ų189137.9 Ų137.982%0.82272%0.719SS**  trans-87.8136.5-179-72.4-177.7176.9179.50111.3
302S23.1Very low29.4Very low103 Ų103143.8 Ų143.872%0.7274%0.735SS**  trans76.1155.9159.378.10000120
303T24.8Very low29.6Very low100 Ų100138.4 Ų138.461%0.61371%0.712SS**SBendtrans69.784.4166.459.10000119.4F305T303-F305 WeakPolarHBondContact O-CD2 3.43Å; T303-F305 WeakPolarHBondContact O-CE2 3.45Å; T303-F305 PolarHBondContact O-N 3.44Å; T303-F305 VanDerWaalsContact O-N 3.13Å
304N23.7Very low29.3Very low167 Ų167141.4 Ų141.489%0.89372%0.724SS**  trans41.556.9132.2-56.82.7000118.9I306N304-I306 PolarHBondContact O-N 2.84Å
305F23.7Very low29.5Very low183 Ų183141.5 Ų141.580%0.80372%0.724SS**  trans-8893.4173.2-81.5-78.9000113.4T303 P307T303-F305 WeakPolarHBondContact O-CD2 3.43Å; T303-F305 WeakPolarHBondContact O-CE2 3.45Å; T303-F305 PolarHBondContact O-N 3.44Å; T303-F305 VanDerWaalsContact O-N 3.13Å; F305-P307 WeakPolarHBondContact O-CD 3.39Å
306I27Very low29.7Very low137 Ų137138 Ų13870%0.70371%0.708SS**  trans-54.3127.9158.9-61.7172.6000108.2N304 M308N304-I306 PolarHBondContact O-N 2.84Å; I306-M308 VanDerWaalsContact C-N 3.3Å; I306-M308 PolarHBondContact O-N 2.88Å
307P26.7Very low29.7Very low112 Ų112133 Ų13373%0.72770%0.7SS**  trans-66.980.1-178.6-25.236.6000114.1F305 R309F305-P307 WeakPolarHBondContact O-CD 3.39Å; P307-R309 PolarHBondContact O-N 3.16Å
308M29.3Very low29.9Very low156 Ų156134.8 Ų134.877%0.76869%0.69SS**  trans-55.8104174.6-100.7-76-86.800110.3I306 G310I306-M308 VanDerWaalsContact C-N 3.3Å; I306-M308 PolarHBondContact O-N 2.88Å; M308-G310 PolarHBondContact O-N 3.39Å
309R33.4Very low30Very low172 Ų172129.4 Ų129.465%0.64968%0.677SS**THydrogen-bonded Turntrans-73.430-156.4-149.7171.4-175.5173.91114.8E235 P307E235-R309 IonicContact OE1-NH2 3.6Å; P307-R309 PolarHBondContact O-N 3.16Å
310G29.4Very low30.4Very low44 Ų44123.5 Ų123.545%0.45465%0.651SS.*THydrogen-bonded Turntrans-146.1-13.6-171.900000118M308M308-G310 PolarHBondContact O-N 3.39Å
311S31Very low30.6Very low74 Ų74120.1 Ų120.152%0.51762%0.621SS.*G310 helixtrans-75.9-45.1-174-42.60000113.7L313 Q314S311-L313 PolarHBondContact O-N 2.91Å; S311-Q314 PolarHBondContact O-N 3.4Å
312R31.8Very low31Very low207 Ų207115 Ų11578%0.78161%0.608SS**G310 helixtrans-67.912-173.9-79-176.8168.8170.2-2.5116.4
313L38Very low31.4Very low62 Ų62115.5 Ų115.533%0.32559%0.594SS.*G310 helixtrans-113-1173.3-81.5170.5000113.5S311 T316 M325S311-L313 PolarHBondContact O-N 2.91Å; L313-T316 PolarHBondContact O-OG1 3.05Å; L313-M325 HydrophobicContact CD1-CE 4.38Å; L313-M325 HydrophobicContact CD1-SD 3.93Å
314Q37.2Very low32Very low143 Ų143112.3 Ų112.367%0.66857%0.573SS**THydrogen-bonded Turntrans-73.3-31.3175.5-67.5-177.9-28.800112S311 T316 S317S311-Q314 PolarHBondContact O-N 3.4Å; Q314-T316 PolarHBondContact O-N 2.9Å; Q314-S317 PolarHBondContact O-N 3.36Å
315E35.6Very low32.3Very low172 Ų172107.8 Ų107.880%0.80455%0.547SS*.THydrogen-bonded Turntrans-62.6-21.3177.5-65.4169.4177.600113.9
316T37.7Very low32.8Very low63 Ų63107.9 Ų107.939%0.38754%0.542SS..THydrogen-bonded Turntrans-98.97.8-179.3620000113.7L313 Q314 F318L313-T316 PolarHBondContact O-OG1 3.05Å; Q314-T316 PolarHBondContact O-N 2.9Å; T316-F318 PolarHBondContact O-N 2.9Å
317S31.4Very low33.1Very low107 Ų107108.5 Ų108.575%0.74854%0.536SS*.THydrogen-bonded Turntrans61.1-1-173.6-53.70000115.8Q314 M319Q314-S317 PolarHBondContact O-N 3.36Å; S317-M319 PolarHBondContact O-N 3.06Å
318F32.9Very low33.3Very low100 Ų100107.2 Ų107.244%0.43953%0.534SS..  trans-91.985.5-168.6-129.8-85000111.8T316 L320T316-F318 PolarHBondContact O-N 2.9Å; F318-L320 HydrophobicContact CD1-CD2 4.41Å; F318-L320 HydrophobicContact CD1-CG 4.16Å; F318-L320 PolarHBondContact O-N 2.95Å
319M33.3Very low33.4Very low130 Ų130103.3 Ų103.364%0.6452%0.522SS*.  trans-72.965.9-179.3-69.6-147.478.200114.1S317 S321 R558S317-M319 PolarHBondContact O-N 3.06Å; M319-S321 PolarHBondContact O-N 3.29Å; M319-R558 PolarHBondContact SD-NH1 3.38Å
320L33.2Very low33.5Very low67 Ų6799.4 Ų99.435%0.35151%0.514SS..  trans-63.5121.2163.8-69.8176.7000109.8F318 I324 M325F318-L320 HydrophobicContact CD1-CD2 4.41Å; F318-L320 HydrophobicContact CD1-CG 4.16Å; F318-L320 PolarHBondContact O-N 2.95Å; L320-I324 HydrophobicContact CD2-CG2 4.39Å; L320-M325 HydrophobicContact CB-CG 4.23Å; L320-M325 HydrophobicContact CD1-CG 4.43Å
321S33.4Very low34Very low34 Ų34107 Ų10724%0.23853%0.534CS..  trans-58.9138174.8165.90000110.7M319 R323 I324 M325M319-S321 PolarHBondContact O-N 3.29Å; S321-R323 PolarHBondContact O-N 2.87Å; S321-R323 PolarHBondContact OG-N 3.29Å; S321-I324 PolarHBondContact O-N 3.42Å; S321-M325 PolarHBondContact O-N 3.01Å
322P33.9Very low34.3Very low83 Ų83105.4 Ų105.454%0.53952%0.52SS..THydrogen-bonded Turntrans-59.4-2.1174.6-27.335.9000115.7R326P322-R326 WeakPolarHBondContact O-CD 3.43Å; P322-R326 WeakPolarHBondContact O-CG 3.18Å; P322-R326 PolarHBondContact O-NH1 3.44Å
323R32.3Very low34.7Very low112 Ų11297.3 Ų97.342%0.42350%0.495SS..THydrogen-bonded Turntrans-101-20.4167.5-71.9-174.8179155.4-1.3114.4S321 R326 R327 S548 Y552S321-R323 PolarHBondContact O-N 2.87Å; S321-R323 PolarHBondContact OG-N 3.29Å; R323-R326 PolarHBondContact O-N 3.17Å; R323-R327 PolarHBondContact O-N 3.48Å; R323-S548 VanDerWaalsContact NH1-CB 3.33Å; R323-S548 PolarHBondContact NH1-OG 3.29Å; R323-Y552 WeakPolarHBondContact CB-OH 3.15Å; R323-Y552 WeakPolarHBondContact CD-OH 3.38Å
324I37.9Very low34.8Very low33 Ų3399.2 Ų99.217%0.16951%0.513CS..THydrogen-bonded Turntrans-76-43.1172-59.7169.3000108.8L320 S321 R326 R327 A328 I531 N535L320-I324 HydrophobicContact CD2-CG2 4.39Å; S321-I324 PolarHBondContact O-N 3.42Å; I324-R326 PolarHBondContact O-N 2.86Å; I324-R326 VanDerWaalsContact O-N 3.09Å; I324-R327 CarbonylContact O-C 3.58Å; I324-R327 PolarHBondContact O-N 2.9Å; I324-A328 PolarHBondContact O-N 3.39Å; I324-I531 HydrophobicContact CD1-CG2 4.29Å; I324-N535 WeakPolarHBondContact CD1-OD1 3.23Å
325M30Very low34.8Very low73 Ų7394.1 Ų94.136%0.3649%0.494SS..THydrogen-bonded Turntrans-58.1-20.6168.9-77.51755900114.2L313 L320 S321L313-M325 HydrophobicContact CD1-CE 4.38Å; L313-M325 HydrophobicContact CD1-SD 3.93Å; L320-M325 HydrophobicContact CB-CG 4.23Å; L320-M325 HydrophobicContact CD1-CG 4.43Å; S321-M325 PolarHBondContact O-N 3.01Å
326R32.8Very low35.3Very low184 Ų18486 Ų8669%0.69446%0.456SS*.THydrogen-bonded Turntrans-95.5-2.6173.2-71.7-179.6173.2105.1-14.5114.3P322 R323 I324P322-R326 WeakPolarHBondContact O-CD 3.43Å; P322-R326 WeakPolarHBondContact O-CG 3.18Å; P322-R326 PolarHBondContact O-NH1 3.44Å; R323-R326 PolarHBondContact O-N 3.17Å; I324-R326 PolarHBondContact O-N 2.86Å; I324-R326 VanDerWaalsContact O-N 3.09Å
327R33.8Very low35.6Very low150 Ų15086.6 Ų86.657%0.56646%0.456SS*.THydrogen-bonded Turntrans-119.2-16.4178.5-82.5-172169.5-173.3-4113.5R323 I324 S329 C538 E541R323-R327 PolarHBondContact O-N 3.48Å; I324-R327 CarbonylContact O-C 3.58Å; I324-R327 PolarHBondContact O-N 2.9Å; R327-S329 PolarHBondContact O-N 2.8Å; R327-C538 PolarHBondContact NH1-SG 3.47Å; R327-E541 IonicContact NH1-OE1 2.65Å
328A30.8Very low35.9Very low85 Ų8585.2 Ų85.270%0.70245%0.446SS*.SBendtrans-79.716.1162.800000112.6I324I324-A328 PolarHBondContact O-N 3.39Å
329S31.4Very low36.3Very low74 Ų7481.7 Ų81.752%0.51743%0.432SS..SBendtrans-61.6138163.349.60000109.8R327R327-S329 PolarHBondContact O-N 2.8Å
330I36.4Very low37Very low91 Ų9177.7 Ų77.747%0.46741%0.413SS..  trans-49147.5168.2-64.6161.7000109.6L236 L332L236-I330 HydrophobicContact CD1-CD1 3.88Å; L236-I330 HydrophobicContact CD1-CG2 4.39Å; L236-I330 HydrophobicContact CD2-CD1 3.83Å; L236-I330 HydrophobicContact CG-CD1 4.31Å; I330-L332 HydrophobicContact CB-CD2 4.27Å; I330-L332 HydrophobicContact CG2-CD2 4.05Å; I330-L332 PolarHBondContact O-N 3.17Å
331K38.6Very low37.6Very low202 Ų20280 Ų8088%0.87842%0.42SS*.  trans-70.579.3171.1-99.6-172.6174.3179.80109.2
332L38.8Very low37.8Very low42 Ų4282.5 Ų82.522%0.2243%0.434CS..  trans-67.7143.1170.6-56.9174.8000109.1L236 L239 I330 V336 L340L236-L332 HydrophobicContact CD1-CD2 3.89Å; L239-L332 HydrophobicContact CD1-CD1 4.15Å; I330-L332 HydrophobicContact CB-CD2 4.27Å; I330-L332 HydrophobicContact CG2-CD2 4.05Å; I330-L332 PolarHBondContact O-N 3.17Å; L332-V336 HydrophobicContact CB-CB 4.07Å; L332-V336 HydrophobicContact CB-CG1 3.83Å; L332-V336 HydrophobicContact CD1-CG1 3.82Å; L332-V336 HydrophobicContact CD2-CG1 4.13Å; L332-V336 HydrophobicContact CG-CG1 4.12Å; L332-L340 HydrophobicContact CD1-CD1 3.4Å; L332-L340 VanDerWaalsContact CD1-CD1 3.4Å
333S40.3Very low37.9Very low36 Ų3680.7 Ų80.725%0.25242%0.423SS..  trans-56162.5176.956.60000112.3E243 S335 V336 N337E243-S333 WeakPolarHBondContact OE1-CB 3.46Å; E243-S333 PolarHBondContact OE1-OG 3.34Å; E243-S333 WeakPolarHBondContact OE2-CB 3.49Å; E243-S333 PolarHBondContact OE2-OG 3.29Å; S333-S335 PolarHBondContact O-N 3Å; S333-S335 PolarHBondContact OG-OG 3.25Å; S333-V336 PolarHBondContact O-N 3.44Å; S333-V336 WeakPolarHBondContact OG-CB 3.38Å; S333-V336 VanDerWaalsContact OG-CG2 3.31Å; S333-V336 WeakPolarHBondContact OG-CG2 3.4Å; S333-V336 PolarHBondContact OG-N 3.26Å; S333-N337 VanDerWaalsContact O-CB 3.22Å; S333-N337 WeakPolarHBondContact O-CB 3.29Å; S333-N337 PolarHBondContact O-N 2.94Å
334S39.2Very low38.1Very low102 Ų10280.2 Ų80.271%0.71343%0.425SS*.Hα-helixtrans-58.4-34.217339.60000112.2C338S334-C338 PolarHBondContact O-N 3.09Å
335S37.6Very low37.9Very low37 Ų3782 Ų8226%0.25944%0.441SS..Hα-helixtrans-58.2-62.5173.2-8.20000110.7E243 S333 N337 C338 L339E243-S335 WeakPolarHBondContact OE1-CB 3.37Å; E243-S335 PolarHBondContact OE1-OG 3.39Å; S333-S335 PolarHBondContact O-N 3Å; S333-S335 PolarHBondContact OG-OG 3.25Å; S335-N337 PolarHBondContact O-N 3.32Å; S335-C338 WeakPolarHBondContact O-CA 3.37Å; S335-C338 WeakPolarHBondContact O-CB 3.48Å; S335-C338 PolarHBondContact O-N 2.98Å; S335-L339 WeakPolarHBondContact O-CG 3.41Å; S335-L339 PolarHBondContact O-N 3.07Å
336V45Very low38.1Very low1 Ų181.5 Ų81.51%0.00644%0.444CS..Hα-helixtrans-63-31.4178.9175.10000112L239 E243 L332 S333 C338 L339 L340L239-V336 HydrophobicContact CB-CG1 3.81Å; L239-V336 HydrophobicContact CD1-CG1 4.11Å; L239-V336 HydrophobicContact CD2-CG1 4.12Å; L239-V336 HydrophobicContact CG-CG1 4.23Å; L239-V336 WeakPolarHBondContact O-CG2 3.37Å; E243-V336 HydrophobicContact CB-CG2 3.71Å; E243-V336 HydrophobicContact CG-CG2 4.32Å; E243-V336 VanDerWaalsContact OE2-CG2 3.31Å; E243-V336 WeakPolarHBondContact OE2-CG2 3.39Å; L332-V336 HydrophobicContact CB-CB 4.07Å; L332-V336 HydrophobicContact CB-CG1 3.83Å; L332-V336 HydrophobicContact CD1-CG1 3.82Å; L332-V336 HydrophobicContact CD2-CG1 4.13Å; L332-V336 HydrophobicContact CG-CG1 4.12Å; S333-V336 PolarHBondContact O-N 3.44Å; S333-V336 WeakPolarHBondContact OG-CB 3.38Å; S333-V336 VanDerWaalsContact OG-CG2 3.31Å; S333-V336 WeakPolarHBondContact OG-CG2 3.4Å; S333-V336 PolarHBondContact OG-N 3.26Å; V336-C338 VanDerWaalsContact C-N 3.29Å; V336-C338 PolarHBondContact O-N 2.9Å; V336-L339 PolarHBondContact O-N 3.35Å; V336-L340 HydrophobicContact CG1-CD1 4.26Å; V336-L340 HydrophobicContact CG1-CG 4.49Å; V336-L340 WeakPolarHBondContact O-CB 3.49Å; V336-L340 PolarHBondContact O-N 2.86Å
337N44.5Very low38Very low75 Ų7577.3 Ų77.340%0.40144%0.435SS..Hα-helixtrans-72.8-21.1175.4-147.3-70.2000112.8S333 S335 K341S333-N337 VanDerWaalsContact O-CB 3.22Å; S333-N337 WeakPolarHBondContact O-CB 3.29Å; S333-N337 PolarHBondContact O-N 2.94Å; S335-N337 PolarHBondContact O-N 3.32Å; N337-K341 WeakPolarHBondContact O-CD 3.48Å; N337-K341 WeakPolarHBondContact O-CE 2.98Å; N337-K341 WeakPolarHBondContact O-CG 3.47Å; N337-K341 PolarHBondContact O-NZ 3.3Å; N337-K341 PolarHBondContact OD1-NZ 3.47Å
338C37.2Very low37.9Very low78 Ų7877.4 Ų77.453%0.52744%0.44SS..Hα-helixtrans-80.8-42.2166.4-80.10000110.9S334 S335 V336 K341 T342S334-C338 PolarHBondContact O-N 3.09Å; S335-C338 WeakPolarHBondContact O-CA 3.37Å; S335-C338 WeakPolarHBondContact O-CB 3.48Å; S335-C338 PolarHBondContact O-N 2.98Å; V336-C338 VanDerWaalsContact C-N 3.29Å; V336-C338 PolarHBondContact O-N 2.9Å; C338-K341 WeakPolarHBondContact O-CA 3.19Å; C338-K341 WeakPolarHBondContact O-CB 3.31Å; C338-K341 PolarHBondContact O-N 3.23Å; C338-T342 PolarHBondContact O-N 3.16Å; C338-T342 PolarHBondContact O-OG1 2.85Å
339L42.2Very low38.1Very low27 Ų2777.5 Ų77.514%0.14143%0.428CS..Hα-helixtrans-61.9-47.1-179.9-69160.7000112.4E242 L246 S335 V336 K341 T342 S343E242-L339 HydrophobicContact CG-CD1 4.02Å; E242-L339 HydrophobicContact CG-CD2 4.42Å; L246-L339 HydrophobicContact CD1-CD1 3.56Å; L246-L339 HydrophobicContact CD1-CD2 3.27Å; L246-L339 HydrophobicContact CD1-CG 4.01Å; S335-L339 WeakPolarHBondContact O-CG 3.41Å; S335-L339 PolarHBondContact O-N 3.07Å; V336-L339 PolarHBondContact O-N 3.35Å; L339-K341 PolarHBondContact O-N 2.82Å; L339-T342 WeakPolarHBondContact CA-OG1 3.48Å; L339-T342 PolarHBondContact O-N 2.92Å; L339-T342 PolarHBondContact O-OG1 2.96Å; L339-S343 WeakPolarHBondContact O-CB 3.38Å; L339-S343 PolarHBondContact O-N 2.91Å; L339-S343 PolarHBondContact O-OG 3.38Å
340L48.1Very low38.2Very low46 Ų4678.8 Ų78.824%0.24143%0.426CS..Hα-helixtrans-55.5-28170.7-82.6169.8000113.5L239 L332 V336 H344L239-L340 HydrophobicContact CD1-CD1 4.13Å; L239-L340 HydrophobicContact CD1-CD2 4.21Å; L239-L340 HydrophobicContact CD1-CG 4.3Å; L239-L340 HydrophobicContact CD2-CD2 3.9Å; L239-L340 HydrophobicContact CD2-CG 3.96Å; L332-L340 HydrophobicContact CD1-CD1 3.4Å; L332-L340 VanDerWaalsContact CD1-CD1 3.4Å; V336-L340 HydrophobicContact CG1-CD1 4.26Å; V336-L340 HydrophobicContact CG1-CG 4.49Å; V336-L340 WeakPolarHBondContact O-CB 3.49Å; V336-L340 PolarHBondContact O-N 2.86Å; L340-H344 WeakPolarHBondContact O-CB 3.24Å; L340-H344 PolarHBondContact O-CD2 3.41Å; L340-H344 PolarHBondContact O-N 3.12Å; L340-H344 VanDerWaalsContact O-N 3.09Å
341K45.7Very low38Very low115 Ų11579.2 Ų79.250%0.543%0.429SS..Hα-helixtrans-79-40.5175.3-65.3175.3-169.3106.40111.8N337 C338 L339 S345N337-K341 WeakPolarHBondContact O-CD 3.48Å; N337-K341 WeakPolarHBondContact O-CE 2.98Å; N337-K341 WeakPolarHBondContact O-CG 3.47Å; N337-K341 PolarHBondContact O-NZ 3.3Å; N337-K341 PolarHBondContact OD1-NZ 3.47Å; C338-K341 WeakPolarHBondContact O-CA 3.19Å; C338-K341 WeakPolarHBondContact O-CB 3.31Å; C338-K341 PolarHBondContact O-N 3.23Å; L339-K341 PolarHBondContact O-N 2.82Å; K341-S345 WeakPolarHBondContact O-CB 3.44Å; K341-S345 PolarHBondContact O-N 3.41Å; K341-S345 PolarHBondContact O-OG 3.45Å
342T38.3Very low38Very low87 Ų8773.3 Ų73.353%0.53441%0.409SS..Hα-helixtrans-68.6-44.1175.4450000111.3C338 L339 S345 S346C338-T342 PolarHBondContact O-N 3.16Å; C338-T342 PolarHBondContact O-OG1 2.85Å; L339-T342 WeakPolarHBondContact CA-OG1 3.48Å; L339-T342 PolarHBondContact O-N 2.92Å; L339-T342 PolarHBondContact O-OG1 2.96Å; T342-S345 CarbonylContact O-C 3.51Å; T342-S345 WeakPolarHBondContact O-CA 3.29Å; T342-S345 WeakPolarHBondContact O-CB 3.35Å; T342-S345 PolarHBondContact O-N 2.99Å; T342-S346 PolarHBondContact O-N 3.48Å
343S35.4Very low38Very low44 Ų4474.9 Ų74.931%0.30842%0.423SS..Hα-helixtrans-71.2-34.9-179.1-49.50000112E242 L339 S345 S346 L347E242-S343 PolarHBondContact OE1-OG 2.87Å; L339-S343 WeakPolarHBondContact O-CB 3.38Å; L339-S343 PolarHBondContact O-N 2.91Å; L339-S343 PolarHBondContact O-OG 3.38Å; S343-S345 VanDerWaalsContact C-N 3.33Å; S343-S346 PolarHBondContact O-N 3.45Å; S343-L347 WeakPolarHBondContact O-CG 3.48Å; S343-L347 PolarHBondContact O-N 3.1Å; S343-L347 VanDerWaalsContact O-N 3.11Å
344H36.2Very low37.9Very low102 Ų10278.6 Ų78.647%0.47244%0.44SS..Hα-helixtrans-64.4-35.2164.5-76.6-29.9000112.9L340 F348L340-H344 WeakPolarHBondContact O-CB 3.24Å; L340-H344 PolarHBondContact O-CD2 3.41Å; L340-H344 PolarHBondContact O-N 3.12Å; L340-H344 VanDerWaalsContact O-N 3.09Å; H344-F348 VanDerWaalsContact O-CD2 3.28Å; H344-F348 WeakPolarHBondContact O-CD2 3.41Å; H344-F348 PolarHBondContact O-N 3Å
345S33.5Very low37.9Very low72 Ų7280.8 Ų80.850%0.50344%0.439SS..Hα-helixtrans-69.1-34.2176.5-56.70000111.9K341 T342 S343 I349K341-S345 WeakPolarHBondContact O-CB 3.44Å; K341-S345 PolarHBondContact O-N 3.41Å; K341-S345 PolarHBondContact O-OG 3.45Å; T342-S345 CarbonylContact O-C 3.51Å; T342-S345 WeakPolarHBondContact O-CA 3.29Å; T342-S345 WeakPolarHBondContact O-CB 3.35Å; T342-S345 PolarHBondContact O-N 2.99Å; S343-S345 VanDerWaalsContact C-N 3.33Å; S345-I349 WeakPolarHBondContact O-CD1 3.24Å; S345-I349 WeakPolarHBondContact O-CG1 3.37Å; S345-I349 PolarHBondContact O-N 3.19Å
346S33.4Very low38.2Very low61 Ų6186.5 Ų86.543%0.42746%0.461SS..Hα-helixtrans-66-51.3175.1-163.80000111.8T342 S343 F348 I349 E350T342-S346 PolarHBondContact O-N 3.48Å; S343-S346 PolarHBondContact O-N 3.45Å; S346-F348 VanDerWaalsContact C-N 3.27Å; S346-F348 PolarHBondContact O-N 3Å; S346-I349 WeakPolarHBondContact O-CA 3.03Å; S346-I349 WeakPolarHBondContact O-CB 3.17Å; S346-I349 PolarHBondContact O-N 2.9Å; S346-E350 PolarHBondContact O-N 3.43Å
347L32.2Very low37.9Very low97 Ų9794.9 Ų94.951%0.50850%0.5SS..Hα-helixtrans-61.3-34.7-179-71.5166.1000112.6S343 I349 E350 D351S343-L347 WeakPolarHBondContact O-CG 3.48Å; S343-L347 PolarHBondContact O-N 3.1Å; S343-L347 VanDerWaalsContact O-N 3.11Å; L347-I349 PolarHBondContact O-N 2.97Å; L347-E350 PolarHBondContact O-N 3.31Å; L347-D351 WeakPolarHBondContact O-CB 3.5Å; L347-D351 PolarHBondContact O-N 3.26Å
348F31.4Very low37.4Very low152 Ų15294.5 Ų94.567%0.66751%0.514SS*.Hα-helixtrans-69.8-15.7173.1-89.1-61.2000114.4H344 S346 V352H344-F348 VanDerWaalsContact O-CD2 3.28Å; H344-F348 WeakPolarHBondContact O-CD2 3.41Å; H344-F348 PolarHBondContact O-N 3Å; S346-F348 VanDerWaalsContact C-N 3.27Å; S346-F348 PolarHBondContact O-N 3Å; F348-V352 VanDerWaalsContact O-CG2 3.25Å; F348-V352 WeakPolarHBondContact O-CG2 3.46Å
349I34.2Very low37.3Very low87 Ų8799.5 Ų99.545%0.44653%0.529SS..Hα-helixtrans-86.4-43.9171.7-65.7164.6000109.4S345 S346 L347 V352 C353S345-I349 WeakPolarHBondContact O-CD1 3.24Å; S345-I349 WeakPolarHBondContact O-CG1 3.37Å; S345-I349 PolarHBondContact O-N 3.19Å; S346-I349 WeakPolarHBondContact O-CA 3.03Å; S346-I349 WeakPolarHBondContact O-CB 3.17Å; S346-I349 PolarHBondContact O-N 2.9Å; L347-I349 PolarHBondContact O-N 2.97Å; I349-V352 PolarHBondContact O-N 3.01Å; I349-C353 PolarHBondContact O-N 2.97Å; I349-C353 PolarHBondContact O-SG 2.91Å; I349-C353 VanDerWaalsContact O-SG 3.36Å
350E33.8Very low36.7Very low101 Ų101103.6 Ų103.647%0.47256%0.56SS.*Hα-helixtrans-64.9-43.1179-67.9174.8114.900112.7S346 L347 V352 C353 N354S346-E350 PolarHBondContact O-N 3.43Å; L347-E350 PolarHBondContact O-N 3.31Å; E350-V352 PolarHBondContact O-N 2.67Å; E350-C353 PolarHBondContact O-N 3.48Å; E350-N354 VanDerWaalsContact O-CB 3.31Å; E350-N354 WeakPolarHBondContact O-CB 3.19Å; E350-N354 VanDerWaalsContact O-CG 3.28Å; E350-N354 PolarHBondContact O-N 3.04Å; E350-N354 PolarHBondContact O-ND2 3.15Å
351D32.2Very low35.9Very low100 Ų100109.8 Ų109.854%0.53559%0.593SS.*Hα-helixtrans-60-33.6174.4-89.6-20000112.4L347 Q355L347-D351 WeakPolarHBondContact O-CB 3.5Å; L347-D351 PolarHBondContact O-N 3.26Å; D351-Q355 WeakPolarHBondContact O-CB 3.39Å; D351-Q355 VanDerWaalsContact O-CG 3.32Å; D351-Q355 WeakPolarHBondContact O-CG 3.2Å; D351-Q355 PolarHBondContact O-N 3.28Å
352V39Very low35.1Very low77 Ų77112 Ų11247%0.46761%0.605SS.*Hα-helixtrans-76.4-44.9177.8171.30000111F348 I349 E350 N354 Q355 H356F348-V352 VanDerWaalsContact O-CG2 3.25Å; F348-V352 WeakPolarHBondContact O-CG2 3.46Å; I349-V352 PolarHBondContact O-N 3.01Å; E350-V352 PolarHBondContact O-N 2.67Å; V352-N354 VanDerWaalsContact C-N 3.34Å; V352-N354 PolarHBondContact O-N 2.89Å; V352-Q355 PolarHBondContact O-N 3.24Å; V352-H356 PolarHBondContact O-CD2 3.47Å; V352-H356 VanDerWaalsContact O-CD2 3.31Å; V352-H356 PolarHBondContact O-N 3.05Å
353C39.2Very low34.8Very low76 Ų76112.7 Ų112.751%0.51461%0.612SS.*Hα-helixtrans-59.6-44.1175.3-70.70000111.8I349 E350 H356 H357I349-C353 PolarHBondContact O-N 2.97Å; I349-C353 PolarHBondContact O-SG 2.91Å; I349-C353 VanDerWaalsContact O-SG 3.36Å; E350-C353 PolarHBondContact O-N 3.48Å; C353-H356 PolarHBondContact O-N 2.93Å; C353-H357 PolarHBondContact O-N 3.13Å
354N38.4Very low34.6Very low114 Ų114116.3 Ų116.361%0.6163%0.628SS**Hα-helixtrans-70.5-32.6-179.1-70.8-36.7000112.9E350 V352 H356 H357E350-N354 VanDerWaalsContact O-CB 3.31Å; E350-N354 WeakPolarHBondContact O-CB 3.19Å; E350-N354 VanDerWaalsContact O-CG 3.28Å; E350-N354 PolarHBondContact O-N 3.04Å; E350-N354 PolarHBondContact O-ND2 3.15Å; V352-N354 VanDerWaalsContact C-N 3.34Å; V352-N354 PolarHBondContact O-N 2.89Å; N354-H356 VanDerWaalsContact C-N 3.26Å; N354-H356 PolarHBondContact O-N 3.15Å; N354-H357 PolarHBondContact O-N 2.97Å
355Q39.2Very low34.2Very low148 Ų148120.5 Ų120.569%0.69265%0.648SS**Hα-helixtrans-66.3-27171.9-78.5-177.51600113.2D351 V352D351-Q355 WeakPolarHBondContact O-CB 3.39Å; D351-Q355 VanDerWaalsContact O-CG 3.32Å; D351-Q355 WeakPolarHBondContact O-CG 3.2Å; D351-Q355 PolarHBondContact O-N 3.28Å; V352-Q355 PolarHBondContact O-N 3.24Å
356H42.3Very low34.1Very low156 Ų156124.2 Ų124.272%0.72266%0.662SS**THydrogen-bonded Turntrans-84.1-5.6177.1-80.6-66.1000115V352 C353 N354V352-H356 PolarHBondContact O-CD2 3.47Å; V352-H356 VanDerWaalsContact O-CD2 3.31Å; V352-H356 PolarHBondContact O-N 3.05Å; C353-H356 PolarHBondContact O-N 2.93Å; N354-H356 VanDerWaalsContact C-N 3.26Å; N354-H356 PolarHBondContact O-N 3.15Å
357H40.5Very low34Very low178 Ų178127.8 Ų127.882%0.82468%0.676SS**THydrogen-bonded Turntrans-97.1-2.5174.2-102.534.5000114.4C353 N354C353-H357 PolarHBondContact O-N 3.13Å; N354-H357 PolarHBondContact O-N 2.97Å
358G33.9Very low33.9Very low66 Ų66127.9 Ų127.968%0.6869%0.685SS**SBendtrans-84.7-4.2-177.100000116.5
359Q34.7Very low33.7Very low183 Ų183126.1 Ų126.186%0.85569%0.691SS**  trans-105.581-176.5-67.7-170.91.300111.5L361Q359-L361 PolarHBondContact O-N 3.31Å
360S29.4Very low33.6Very low113 Ų113130.3 Ų130.379%0.7971%0.709SS**  trans-69.7117166.3-177.60000109.9
361L31.9Very low33.3Very low176 Ų176132.8 Ų132.892%0.92172%0.724SS**  trans-108.1111.4161.3-102167.8000107.9Q359Q359-L361 PolarHBondContact O-N 3.31Å
362H27.8Very low33.3Very low163 Ų163134.8 Ų134.876%0.75573%0.734SS**  trans-85.6119.1-177.2165.949.1000110.1
363C32.5Very low32.8Very low101 Ų101139 Ų13968%0.68275%0.748SS**  trans-158.9118156.2-106.60000108.1
364D31.2Very low32.4Very low119 Ų119142.9 Ų142.964%0.63676%0.764SS**  trans45.5103.6136.7-34.5-38.6000116.7
365E27.5Very low32.2Very low191 Ų191141.8 Ų141.889%0.89376%0.763SS**  45.188.281.4-66.2-161.1146.100113.2
366D30.6Very low31.8Very low150 Ų150141.5 Ų141.580%0.80277%0.766SS**  -170.1167.4116.9-117.2-26.8000114.9
367N32.9Very low31Very low135 Ų135141.5 Ų141.572%0.72277%0.772SS**  trans68.277.6161.8-65-49.7000120.4
368S30.1Very low30.5Very low100 Ų100138 Ų13870%0.69977%0.768SS**  65101113.268.90000121.4
369S26Very low30.2Very low115 Ų115141.5 Ų141.580%0.80477%0.769SS**  trans-14.6131.7135-42.70000119.2
370Q32.1Very low30.1Very low175 Ų175140.1 Ų140.182%0.81876%0.762SS**  trans-160.2130.6140.8-102.1157.150.200107
371I28.1Very low29.9Very low152 Ų152142.6 Ų142.678%0.77976%0.759SS**  69128.874.4-68.9173.3000110.4
372L31.1Very low30Very low143 Ų143142.3 Ų142.375%0.74976%0.757SS**  cis-140.617912.3-164.250.9000112.4
373E29.2Very low30.2Very low164 Ų164141.5 Ų141.577%0.76675%0.753SS**  trans-60.8148.4159.9-50.2166.6122.100112.2
374D31.8Very low30.3Very low159 Ų159145 Ų14585%0.8577%0.765SS**  trans-165.9135133-129.7-19.1000112.8
375P34.3Very low30.3Very low90 Ų90144.9 Ų144.958%0.58477%0.765SS**  trans-109.7160.3167.636.3-27.8000113.6
376N29.2Very low30.9Very low142 Ų142143.8 Ų143.876%0.75976%0.759SS**  trans94.2144.5168.4-48.2-70.4000118.8
377N27.4Very low31.1Very low157 Ų157142.5 Ų142.584%0.8475%0.752SS**  trans74.4151.7151.8-64.9-19.8000122
378S29.4Very low31Very low105 Ų105143 Ų14373%0.73476%0.755SS**  trans60122174.8-110.50000116.3
379I27.3Very low31.1Very low138 Ų138143.9 Ų143.971%0.70876%0.756SS**  cis55.395.338.5-38.4175.1000111.9
380H31.6Very low31.4Very low155 Ų155144.2 Ų144.272%0.71875%0.754SS**  -175.4135.9116.8-108.3-103.9000111
381F26.6Very low31.4Very low164 Ų164142.5 Ų142.572%0.71975%0.75SS**  trans16.4142.8146.7-64.9-110.6000121.4
382I34.4Very low31.5Very low170 Ų170141.4 Ų141.487%0.87276%0.756SS**  -154.2153.7108.8-95.4149.8000108.6
383E30.9Very low31.7Very low146 Ų146141.8 Ų141.868%0.68276%0.757SS**  trans-90.2138.4-176.4-59.9166.4102.500112.1
384D34.3Very low31.8Very low175 Ų175138.1 Ų138.194%0.93676%0.755SS**  trans-102.992.6161.1-92.6-37.1000109.4
385N32Very low31.9Very low116 Ų116136.5 Ų136.562%0.6275%0.753SS**  trans-106.4121164.5-86.4-54.1000108.8
386H38.7Very low31.9Very low168 Ų168138.9 Ų138.978%0.77877%0.766SS**  -174.7111.2127.4-96-49.7000114.1
387N34.9Very low32.3Very low123 Ų123141.7 Ų141.766%0.65877%0.772SS**  50.8104128.1-56.720.1000120
388D32.3Very low32.5Very low145 Ų145143.8 Ų143.878%0.77577%0.773SS**  62.4113.5114.2-65.8-7.4000122.1
389T31.1Very low32.5Very low120 Ų120146.7 Ų146.774%0.73678%0.779SS**  71.7101122-53.10000118.6
390T32Very low32.6Very low121 Ų121146.4 Ų146.474%0.74279%0.785SS**  -167.4161.6111.617.30000112.7
391N31.9Very low32.8Very low140 Ų140148.4 Ų148.475%0.74979%0.791SS**  trans64.761.2157-57.2-22.6000118.9I393N391-I393 PolarHBondContact O-N 2.85Å
392S30.6Very low33.2Very low128 Ų128149.5 Ų149.590%0.89580%0.799SS**  trans-76.5112150.8-177.60000109.9
393I35.4Very low33.3Very low152 Ų152145.1 Ų145.178%0.77978%0.783SS**  trans-109.1125.2170.2-64.8179.7000108.4N391N391-I393 PolarHBondContact O-N 2.85Å
394A32.8Very low33.7Very low87 Ų87141.9 Ų141.972%0.71978%0.777SS**PPolyproline II helixtrans-65.1154-172.600000113.2
395P33.2Very low33.7Very low124 Ų124140.9 Ų140.981%0.80577%0.769SS**PPolyproline II helixtrans-83155.6-145.630.3-37.2000116.3
396T34.8Very low33.8Very low141 Ų141142.5 Ų142.587%0.86578%0.775SS**PPolyproline II helixtrans-63.5145.717240.60000112.9
397K36.8Very low33.7Very low201 Ų201140.7 Ų140.787%0.87477%0.767SS**PPolyproline II helixtrans-69.7151.5173.2-64.8172.6178.9172.70110.8
398K31.2Very low33.9Very low201 Ų201143.9 Ų143.987%0.87478%0.775SS**  trans77.374.8144.9-163.3-173.2-178-177.90117.8
399L29.5Very low34Very low165 Ų165144.8 Ų144.886%0.86478%0.779SS**  trans-155.5171.2142.3-106.9160.3000109.9
400T30.6Very low34.2Very low133 Ų133143.5 Ų143.582%0.81677%0.768SS**  trans53.899.5-178.759.20000117.7
401K34.1Very low34.5Very low196 Ų196147.2 Ų147.285%0.85277%0.774SS**  trans-132.4-0.4159.6-145.3174.8-174.9177.70115.2
402E36.8Very low34.6Very low188 Ų188145.9 Ų145.988%0.87978%0.775SS**THydrogen-bonded Turntrans-80.8-17.4-177.5-62.4-178.713300113.9S404E402-S404 VanDerWaalsContact C-N 3.35Å; E402-S404 PolarHBondContact O-N 3.35Å
403S35.5Very low34.6Very low78 Ų78146.3 Ų146.355%0.54577%0.766SS.*THydrogen-bonded Turntrans-74.8-17.1-175.8-164.10000114.7
404S38.8Very low34.5Very low78 Ų78144.7 Ų144.755%0.54577%0.765SS.*SBendtrans-77.1-29.3-165.9-1680000115E402E402-S404 VanDerWaalsContact C-N 3.35Å; E402-S404 PolarHBondContact O-N 3.35Å
405I35.6Very low34.5Very low153 Ų153149.2 Ų149.279%0.78578%0.776SS**G310 helixtrans-75.7-33.7-176.5-61.4178.3000111.4Q407I405-Q407 PolarHBondContact O-N 2.85Å
406M32.5Very low34.4Very low150 Ų150147.1 Ų147.174%0.73977%0.77SS**G310 helixtrans-65.8-17.6177.4-74.3-79.6-83.600113.9N410M406-N410 PolarHBondContact O-ND2 2.79Å
407Q38.7Very low34.4Very low131 Ų131149.1 Ų149.161%0.61277%0.767SS**G310 helixtrans-87.4-16.9-174.6-69-177.3-15.200114.5I405I405-Q407 PolarHBondContact O-N 2.85Å
408K38.5Very low34.2Very low189 Ų189148.2 Ų148.282%0.82276%0.763SS**THydrogen-bonded Turntrans-86.7-2.9-176-83-170.7174.1-177.90116.4
409L34.5Very low34.3Very low164 Ų164143.6 Ų143.686%0.85976%0.756SS**THydrogen-bonded Turntrans-109.47.9173.3-70.8171.5000113.8
410N35.2Very low34.3Very low94 Ų94147 Ų14750%0.50376%0.757SS.*  trans-97.432.2-175.8-92.7-84.5000113.7M406 K418M406-N410 PolarHBondContact O-ND2 2.79Å; N410-K418 PolarHBondContact OD1-NZ 3.21Å
411K37.3Very low34.2Very low199 Ų199148 Ų14887%0.86576%0.757SS**SBendtrans-12340.9-174.6-75.1-161.5172.9-1680115.3
412S33.6Very low33.8Very low111 Ų111145.6 Ų145.678%0.77676%0.759SS**SBendtrans-161.747.1169.565.10000113.7
413I32.4Very low33.6Very low138 Ų138140.9 Ų140.971%0.70875%0.746SS**SBendtrans-138.3130.1174.2-55.5179.7000108.5
414P32.8Very low33.3Very low117 Ų117144.3 Ų144.376%0.7676%0.759SS**  trans-61.2149.1176.6-24.735.3000114A416P414-A416 PolarHBondContact O-N 3.15Å
415L31.5Very low32.6Very low182 Ų182148.8 Ų148.895%0.95378%0.776SS**SBendtrans-82.194.4-178.7-72.780.4000111.1
416A32.6Very low32.4Very low81 Ų81148.1 Ų148.167%0.66978%0.778SS**SBendtrans-141-19.3171.100000115.4P414P414-A416 PolarHBondContact O-N 3.15Å
417F34.5Very low32.1Very low182 Ų182150.3 Ų150.380%0.79878%0.783SS**SBendtrans-12445.6-169.4-87.9-87.1000114.1
418K32.1Very low31.7Very low182 Ų182149.8 Ų149.879%0.79179%0.794SS**  trans-135.469.4176.5-83.4-173175.6171.80113.4N410N410-K418 PolarHBondContact OD1-NZ 3.21Å
419S33.6Very low31.1Very low104 Ų104147.9 Ų147.973%0.72779%0.793SS**  trans-151.9122.9161.956.10000111.5
420R30.1Very low30.8Very low238 Ų238146 Ų14690%0.89879%0.793SS**SBendtrans63.7133.3175.3-49.4177.4-179.9-170.5-1.3113.6
421L28.1Very low30.3Very low154 Ų154148.4 Ų148.481%0.80681%0.805SS**  cis-126.3141.910.9-73.5161.2000112
422T25.8Very low30Very low145 Ų145146.5 Ų146.589%0.8980%0.803SS**  trans-136.4107.3160.650.20000108
423S31.2Very low29.6Very low89 Ų89151.6 Ų151.662%0.62281%0.805SS**  trans-152.897.4-179.254.40000112.8
424N29.8Very low29.4Very low150 Ų150151.1 Ų151.180%0.80281%0.809SS**  trans58.4118.9137.8-52.4-14.8000120.4
425L24.9Very low29.2Very low172 Ų172150.7 Ų150.790%0.90181%0.809SS**  trans-69.1130.4152.2-81.968.7000109.7
426V31Very low28.9Very low138 Ų138146.6 Ų146.684%0.83680%0.801SS**  trans-138.1143.9153.4-177.80000108
427K26.9Very low28.8Very low196 Ų196148.6 Ų148.685%0.85281%0.81SS**  trans-97.1142.8178.1-67.8175.9174.8178.40111.4
428S30.2Very low28.4Very low120 Ų120145.1 Ų145.184%0.83981%0.808SS**  trans-156.4160.8143.454.10000109.8
429N26.1Very low28.3Very low149 Ų149142.7 Ų142.780%0.79781%0.811SS**  trans-116.1146.4-171.6-52.2-30.5000111.4
430C27.1Very low27.8Very low126 Ų126142.9 Ų142.985%0.85181%0.813SS**  trans177.5114.9136.9-86.90000105.4
431D25.8Very low27.8Very low144 Ų144139.8 Ų139.877%0.7781%0.813SS**  71.5102.250.8-145.9-8.5000112.8
432I30.1Very low27.6Very low158 Ų158137.9 Ų137.981%0.8181%0.811SS**  trans179.8126.1133.7-89154000111.3
433R24.9Very low27.5Very low218 Ų218138.4 Ų138.482%0.82381%0.808SS**  trans-11.7146.4156.6-52.1169.9-173.4-171.5-1.1116.6
434T28.4Very low27.3Very low128 Ų128139.4 Ų139.479%0.78582%0.815SS**  -157.4140.259.818.40000117.2
435S28.4Very low27.1Very low109 Ų109136.3 Ų136.376%0.76282%0.819SS**  trans16.8158.7141.557.80000124.4
436A25.8Very low27.2Very low96 Ų96135 Ų13579%0.79381%0.812SS**  cis166.5126.2-32.600000110.4
437S29.8Very low26.9Very low122 Ų122137.1 Ų137.185%0.85381%0.81SS**  trans-174.7121.2152.655.60000111.9
438S26.4Very low27Very low109 Ų109135.5 Ų135.576%0.76281%0.81SS**  trans-84.6172.2173.8-49.20000111.9
439P29.4Very low26.8Very low132 Ų132138.9 Ų138.986%0.85780%0.804SS**  -133.7151.1100.338-30.8000114.2
440S24.1Very low26.8Very low108 Ų108140.3 Ų140.376%0.75581%0.806SS**  trans-135.2128.4168.856.20000108.5
441L29.4Very low26.8Very low173 Ų173138.6 Ų138.691%0.90679%0.792SS**  trans-130.7127170.6-78.5173.3000110
442C23.9Very low26.9Very low114 Ų114139 Ų13977%0.7779%0.792SS**  trans-90.7179.2160.5-63.20000109.3
443D25.2Very low26.9Very low155 Ų155139.3 Ų139.383%0.82979%0.79SS**  trans5394.9166.7-63.4-34.8000118.4
444S26.6Very low26.9Very low110 Ų110134.9 Ų134.977%0.76979%0.787SS**  -164.4131.2125.8-82.70000110.5
445G25.2Very low27Very low85 Ų85134.8 Ų134.888%0.87679%0.787SS**  trans-81.9120.9171.500000110.4
446I27.2Very low26.9Very low146 Ų146135.3 Ų135.375%0.74979%0.786SS**  trans-127.9127.9-180-52.2-179.2000110L448I446-L448 PolarHBondContact O-N 2.82Å
447F24.3Very low27.1Very low182 Ų182136.4 Ų136.480%0.79878%0.783SS**  trans-67.2124.1169.6-88.6-109.6000110.3R449F447-R449 VanDerWaalsContact C-N 3.32Å; F447-R449 HydrophobicContact CD1-CG 4.43Å; F447-R449 PolarHBondContact O-N 3.36Å
448L28.7Very low27.1Very low162 Ų162139.1 Ų139.185%0.84878%0.779SS**  trans-94.667.7157.2-99.3151.3000110I446 Q450I446-L448 PolarHBondContact O-N 2.82Å; L448-Q450 PolarHBondContact O-N 3.05Å
449R25.6Very low27.1Very low191 Ų191139.8 Ų139.872%0.72178%0.779SS**  trans-66.6113.5147.6-88.4-180167.5-118.13106.1F447 T451F447-R449 VanDerWaalsContact C-N 3.32Å; F447-R449 HydrophobicContact CD1-CG 4.43Å; F447-R449 PolarHBondContact O-N 3.36Å; R449-T451 PolarHBondContact O-N 3.26Å
450Q27Very low27Very low179 Ų179139 Ų13984%0.83677%0.772SS**  trans-75.174.4157.9-76.8-172.6-58.700108.6L448 I452L448-Q450 PolarHBondContact O-N 3.05Å; Q450-I452 PolarHBondContact O-N 2.9Å
451T27.2Very low27.3Very low90 Ų90139.3 Ų139.355%0.55277%0.769SS**  trans-66.1112.2158.6-55.10000106.3R449 E453R449-T451 PolarHBondContact O-N 3.26Å; T451-E453 HydrophobicContact CG2-CG 4.2Å; T451-E453 PolarHBondContact O-N 3.46Å; T451-E453 VanDerWaalsContact O-N 3.14Å
452I28.4Very low27.2Very low151 Ų151139.4 Ų139.477%0.77476%0.764SS**  trans-77.897.2173-59.6175000106.8Q450 T454Q450-I452 PolarHBondContact O-N 2.9Å; I452-T454 PolarHBondContact O-N 2.79Å
453E28.9Very low27.4Very low166 Ų166140.2 Ų140.278%0.77677%0.766SS**  trans-72.1108.9176.6-71.2-169.9142.800110.6T451 T455T451-E453 HydrophobicContact CG2-CG 4.2Å; T451-E453 PolarHBondContact O-N 3.46Å; T451-E453 VanDerWaalsContact O-N 3.14Å; E453-T455 PolarHBondContact O-N 2.64Å
454T26.2Very low27.5Very low124 Ų124137.7 Ų137.776%0.76177%0.767SS**  trans-68.995178.248.50000111.2I452 T456I452-T454 PolarHBondContact O-N 2.79Å; T454-T456 PolarHBondContact O-N 3.24Å
455T29.7Very low27.7Very low127 Ų127138.9 Ų138.978%0.77977%0.769SS**  trans-92.591.9171-54.40000110.1E453E453-T455 PolarHBondContact O-N 2.64Å
456T26Very low27.7Very low119 Ų119140.2 Ų140.273%0.7377%0.765SS**  trans-102.690-175.1-550000112.3T454T454-T456 PolarHBondContact O-N 3.24Å
457T30.5Very low27.8Very low119 Ų119137.1 Ų137.173%0.7376%0.762SS**  trans-138.8104.7164.849.10000108.8
458K28.4Very low28Very low179 Ų179136 Ų13678%0.77876%0.759SS**  100.1101.561.3-93.4-170.7174.2-178.20111.9
459T26.4Very low28.1Very low123 Ų123136.5 Ų136.576%0.75575%0.754SS**  trans65.9156.1144.429.60000118.2
460T28.4Very low28.3Very low116 Ų116131.9 Ų131.971%0.71275%0.752SS**  cis-154.3164.111-12.70000111
461V30.3Very low28.4Very low114 Ų114127.2 Ų127.269%0.69174%0.739SS**  trans57.9105.3147.9166.20000116.6
462E26.8Very low28.6Very low175 Ų175132.3 Ų132.382%0.81875%0.754SS**  58.9121.273.9-64.9-167.7152.300115.7
463T29.2Very low28.8Very low132 Ų132130.2 Ų130.281%0.8175%0.75SS**  trans-159119.8135.6-70.40000107.3
464A27.2Very low28.8Very low102 Ų102127.8 Ų127.884%0.84375%0.751SS**  trans-100.2140.6171.700000109.7
465T29.8Very low29Very low134 Ų134126.5 Ų126.582%0.82275%0.747SS**  trans-136.2128.8168.4-44.90000110.5
466S25.8Very low29Very low113 Ų113125.3 Ų125.379%0.7974%0.744SS**  trans-88.6147.8-177.154.90000113.9
467A28.5Very low29.2Very low81 Ų81125.9 Ų125.967%0.66975%0.747SS**  trans-138.2122.4152.900000107.5
468Q29.7Very low29.1Very low158 Ų158125 Ų12574%0.73875%0.746SS**  61.5125.9100.3-60.2167.311.600112.2
469F30.1Very low29.1Very low173 Ų173122.5 Ų122.576%0.75975%0.746SS**  cis-134.714328.4-68.6-96.9000109.3
470S28.7Very low29.3Very low95 Ų95122.8 Ų122.866%0.66475%0.747SS**  50.2135.767.373.40000114.1
471S30.3Very low29.2Very low81 Ų81124 Ų12457%0.56675%0.749SS**  cis-172.9159.72.636.10000110.1
472F30.3Very low29.3Very low196 Ų196124.9 Ų124.986%0.8675%0.754SS**  168.2149.7113.7-90.7-69000112.2
473P34.3Very low29.3Very low108 Ų108123.4 Ų123.470%0.70175%0.752SS**  trans-129.5-157.4-169.244-27.2000114
474S27.9Very low29.2Very low114 Ų114122.8 Ų122.880%0.79775%0.748SS**  trans91.9154.8166.8-28.70000115.5
475S29.9Very low29.4Very low97 Ų97124 Ų12468%0.67875%0.746SS**  cis-149.4155.610.8610000114.1
476S29.7Very low29.3Very low103 Ų103126.2 Ų126.272%0.7275%0.747SS**  trans48.1146.2141.165.60000121.3
477V30.3Very low29.5Very low131 Ų131125.4 Ų125.479%0.79474%0.739SS**  cis-142.2151.632.3-175.50000112.2
478S27.9Very low29.3Very low100 Ų100129.4 Ų129.470%0.69975%0.748SS**  trans-42172.9160.7-36.50000115.5
479T30Very low29.3Very low127 Ų127126.4 Ų126.478%0.77974%0.744SS**  cis-156.7-171.612.8-150000107
480V29.3Very low29.2Very low129 Ų129123.3 Ų123.378%0.78274%0.744SS**  cis-140.5171.211.3-158.70000108.8
481L27.4Very low29.2Very low141 Ų141127.9 Ų127.974%0.73876%0.755SS**  trans-77.1154.6163.1-71.269.8000109.5
482T31.9Very low28.9Very low132 Ų132128.9 Ų128.981%0.8176%0.762SS**  -167.5153.272.541.20000114.5
483N26.9Very low28.9Very low144 Ų144127.1 Ų127.177%0.7776%0.761SS**  trans-22.4157.2166.5-50.6-16.1000120.2
484T27.6Very low28.6Very low120 Ų120131.1 Ų131.174%0.73677%0.768SS**  trans122.3112.1136.4-41.50000115.1
485T31.2Very low28.7Very low128 Ų128133.4 Ų133.479%0.78577%0.769SS**  trans45128.7160.355.80000122.7
486Q27.2Very low28.7Very low180 Ų180135.5 Ų135.584%0.84177%0.772SS**  trans-11.5164.4137.6-79.6-172.99.600119.9
487P30.2Very low28.6Very low96 Ų96135.1 Ų135.162%0.62377%0.767SS**  cis-137-174.7-10.737.6-18.8000114.4
488L25.3Very low28.6Very low164 Ų164136.8 Ų136.886%0.85977%0.769SS**  trans57.6135.2162-91.670.7000116.8
489S28Very low28.7Very low95 Ų95138.7 Ų138.766%0.66477%0.77SS**  cis-171.2163.323.546.50000111.9
490S29Very low28.6Very low108 Ų108139 Ų13976%0.75577%0.768SS**  trans5085.9150.1610000119.6
491Q29.3Very low28.8Very low191 Ų191138.9 Ų138.989%0.89377%0.769SS**  trans-144.1124.5131.9-119.1175.920.100112.5
492S23.9Very low29.1Very low103 Ų103140.7 Ų140.772%0.7277%0.771SS**  trans-4.6117.4170.953.70000119.6
493N29.4Very low29Very low158 Ų158143.2 Ų143.285%0.84577%0.774SS**  trans-152.3154.4134.9-107.4-48.1000112.2I495N493-I495 PolarHBondContact O-N 3.29Å
494K29.4Very low29.1Very low192 Ų192144.2 Ų144.284%0.83577%0.774SS**PPolyproline II helixtrans-57.5122.8-163.6-63.7167.1-1791730113.4I496K494-I496 PolarHBondContact O-N 3.31Å
495I28.6Very low29.4Very low162 Ų162145.3 Ų145.383%0.83177%0.774SS**PPolyproline II helixtrans-70.9121.9164.1-62.6174.4000108.2N493N493-I495 PolarHBondContact O-N 3.29Å
496I29.2Very low29.4Very low141 Ų141144.9 Ų144.972%0.72378%0.775SS**PPolyproline II helixtrans-84.8126.1168.6-61.4172.1000106.9K494 I498K494-I496 PolarHBondContact O-N 3.31Å; I496-I498 PolarHBondContact O-N 3.23Å
497P29.1Very low30.4Very low95 Ų95139.2 Ų139.262%0.61775%0.75SS**PPolyproline II helixtrans-69.8116.8177.428.4-33.3000110I499P497-I499 VanDerWaalsContact C-N 3.34Å; P497-I499 HydrophobicContact CB-CG1 4.16Å; P497-I499 PolarHBondContact O-N 2.97Å
498I29.2Very low31.4Very low166 Ų166139.3 Ų139.385%0.85175%0.75SS**  trans-76.191.3168.6-59.4174.8000106.7I496I496-I498 PolarHBondContact O-N 3.23Å
499I30Very low32.9Very low140 Ų140134.7 Ų134.772%0.71872%0.722SS**PPolyproline II helixtrans-82.9123.9176.8-60.3176.7000108P497P497-I499 VanDerWaalsContact C-N 3.34Å; P497-I499 HydrophobicContact CB-CG1 4.16Å; P497-I499 PolarHBondContact O-N 2.97Å
500N27.7Very low34.8Very low135 Ų135134.7 Ų134.772%0.72272%0.715SS**PPolyproline II helixtrans-54.8129.3174.6-78-16.4000110.5K502N500-K502 PolarHBondContact O-N 3.07Å
501P34.2Very low37Very low126 Ų126133.6 Ų133.682%0.81870%0.697SS**PPolyproline II helixtrans-64.3118.8167.728-32.1000108.3
502K34.9Very low39.5Very low178 Ų178131.8 Ų131.877%0.77469%0.686SS**PPolyproline II helixtrans-68.2154.3174-66.8179.6178.6178.90109.9N500 E504N500-K502 PolarHBondContact O-N 3.07Å; K502-E504 HydrophobicContact CB-CG 4.42Å; K502-E504 PolarHBondContact O-N 2.99Å
503E29Very low42.1Very low186 Ų186130.5 Ų130.587%0.86967%0.671SS**  trans-70.269.1169.6-62.8175.9120.600111.3I505E503-I505 PolarHBondContact O-N 2.7Å
504E29.5Very low44.6Very low164 Ų164123.3 Ų123.377%0.76663%0.632SS**  trans-76.592.5168.3-67.3-159.2161.100109.3K502 C506K502-E504 HydrophobicContact CB-CG 4.42Å; K502-E504 PolarHBondContact O-N 2.99Å; E504-C506 PolarHBondContact O-N 2.9Å
505I33.9Very low47.2Very low144 Ų144117.6 Ų117.674%0.73861%0.609SS**  trans-50.998.4169.8-58.9171.9000108.5E503 N507E503-I505 PolarHBondContact O-N 2.7Å; I505-N507 PolarHBondContact O-N 3.39Å
506C31.7Very low49.9Very low119 Ų119113.7 Ų113.780%0.80459%0.587SS**  trans-68.2108.4-169.2-167.10000110E504 P508E504-C506 PolarHBondContact O-N 2.9Å; C506-P508 WeakPolarHBondContact O-CD 3.36Å
507N46.9Very low52.5Low60 Ų60109 Ų10932%0.32157%0.568SS.*  trans-101.9103.2179.7-172.9-54000108.7I505 Y509 Y576 R580I505-N507 PolarHBondContact O-N 3.39Å; N507-Y509 PolarHBondContact O-N 2.84Å; N507-Y576 PolarHBondContact ND2-OH 3.22Å; N507-Y576 VanDerWaalsContact ND2-OH 3.14Å; N507-Y576 PolarHBondContact OD1-OH 2.94Å; N507-R580 PolarHBondContact OD1-NH1 3.27Å; N507-R580 PolarHBondContact OD1-NH2 2.89Å
508P52.2Low55.3Low98 Ų98104.8 Ų104.864%0.63654%0.541SS*.  trans-77.18.5-160.230.4-37.1000115.6C506C506-P508 WeakPolarHBondContact O-CD 3.36Å
509Y55.6Low58.1Low68 Ų6899.9 Ų99.927%0.26752%0.522SS..  trans-113.3142.2-179.6-68.1-66.7000112.3L142 N507 I514 Y576 R580L142-Y509 WeakPolarHBondContact CD1-OH 3.4Å; L142-Y509 WeakPolarHBondContact CG-OH 3.42Å; N507-Y509 PolarHBondContact O-N 2.84Å; Y509-I514 HydrophobicContact CG-CD1 4.46Å; Y509-I514 HydrophobicContact CG-CG1 4.27Å; Y509-Y576 HydrophobicContact CD2-CE1 4.49Å; Y509-R580 PolarHBondContact O-NH1 3.47Å; Y509-R580 PolarHBondContact O-NH2 3.02Å
510N69Low60.8Low94 Ų9499.7 Ų99.750%0.50351%0.512SS..  trans-75.7148.4155.4-162.4-35.8000109K512 D513 I514N510-K512 HydrophobicContact CB-CB 4.36Å; N510-K512 PolarHBondContact O-N 2.84Å; N510-K512 PolarHBondContact OD1-N 2.98Å; N510-D513 WeakPolarHBondContact CA-OD2 3.4Å; N510-D513 WeakPolarHBondContact CB-OD2 3.39Å; N510-D513 PolarHBondContact N-OD2 2.98Å; N510-D513 PolarHBondContact O-N 3.14Å; N510-I514 PolarHBondContact O-N 3.49Å
511F74.8Confident63.8Low86 Ų8694.4 Ų94.438%0.37748%0.483SS..Hα-helixtrans-54.8-37.2166.9178.5-87000110.6D513 I514 Q515 T577F511-D513 VanDerWaalsContact C-N 3.34Å; F511-D513 PolarHBondContact O-N 2.77Å; F511-I514 PolarHBondContact O-N 2.77Å; F511-Q515 HydrophobicContact CD1-CG 3.83Å; F511-Q515 HydrophobicContact CE1-CG 3.53Å; F511-Q515 HydrophobicContact CZ-CG 4.04Å; F511-Q515 WeakPolarHBondContact O-CG 3.47Å; F511-Q515 PolarHBondContact O-N 2.73Å; F511-T577 HydrophobicContact CD2-CG2 3.87Å; F511-T577 HydrophobicContact CE2-CG2 3.44Å; F511-T577 VanDerWaalsContact CE2-CG2 3.44Å; F511-T577 HydrophobicContact CZ-CG2 4.38Å
512K81.1Confident66.6Low153 Ų15392.3 Ų92.367%0.66546%0.463SS*.Hα-helixtrans-58.4-41176.8-166.7173.9-177.1177.50113N510 Q515 Q516N510-K512 HydrophobicContact CB-CB 4.36Å; N510-K512 PolarHBondContact O-N 2.84Å; N510-K512 PolarHBondContact OD1-N 2.98Å; K512-Q515 PolarHBondContact O-N 2.91Å; K512-Q516 WeakPolarHBondContact O-CB 3.32Å; K512-Q516 PolarHBondContact O-N 2.66Å
513D78.8Confident69.2Low75 Ų7588.1 Ų88.140%0.40145%0.452SS..Hα-helixtrans-69.7-40.1-178.3-43.8-30000110.8N510 F511 Q516 A517N510-D513 WeakPolarHBondContact CA-OD2 3.4Å; N510-D513 WeakPolarHBondContact CB-OD2 3.39Å; N510-D513 PolarHBondContact N-OD2 2.98Å; N510-D513 PolarHBondContact O-N 3.14Å; F511-D513 VanDerWaalsContact C-N 3.34Å; F511-D513 PolarHBondContact O-N 2.77Å; D513-Q516 PolarHBondContact O-N 3.31Å; D513-A517 WeakPolarHBondContact O-CB 3.48Å; D513-A517 PolarHBondContact O-N 2.76Å
514I81.1Confident72.2Confident8 Ų883.1 Ų83.14%0.04143%0.428CS..Hα-helixtrans-65.6-43.7177.6-59.1158.6000110.2Y509 N510 F511 A517 I518 L573 Y576 T577Y509-I514 HydrophobicContact CG-CD1 4.46Å; Y509-I514 HydrophobicContact CG-CG1 4.27Å; N510-I514 PolarHBondContact O-N 3.49Å; F511-I514 PolarHBondContact O-N 2.77Å; I514-A517 PolarHBondContact O-N 2.91Å; I514-I518 HydrophobicContact CG2-CD1 4.06Å; I514-I518 WeakPolarHBondContact O-CG1 3.49Å; I514-I518 PolarHBondContact O-N 3.11Å; I514-L573 HydrophobicContact CG2-CB 4.16Å; I514-L573 HydrophobicContact CG2-CD2 4.47Å; I514-Y576 HydrophobicContact CD1-CD1 3.86Å; I514-Y576 HydrophobicContact CD1-CE1 3.82Å; I514-T577 WeakPolarHBondContact CG2-OG1 3.41Å
515Q85.9Confident75.2Confident72 Ų7276 Ų7634%0.33640%0.395SS..Hα-helixtrans-62.2-43.8174.5-66.9-62.6-15.900111.5F511 K512 A517 I518 S519F511-Q515 HydrophobicContact CD1-CG 3.83Å; F511-Q515 HydrophobicContact CE1-CG 3.53Å; F511-Q515 HydrophobicContact CZ-CG 4.04Å; F511-Q515 WeakPolarHBondContact O-CG 3.47Å; F511-Q515 PolarHBondContact O-N 2.73Å; K512-Q515 PolarHBondContact O-N 2.91Å; Q515-A517 VanDerWaalsContact C-N 3.32Å; Q515-A517 PolarHBondContact O-N 3.25Å; Q515-I518 PolarHBondContact O-N 3.12Å; Q515-S519 PolarHBondContact O-N 3.17Å; Q515-S519 PolarHBondContact O-OG 3.22Å; Q515-S519 VanDerWaalsContact O-OG 3.06Å
516Q85Confident78Confident80 Ų8073.4 Ų73.437%0.37438%0.383SS..Hα-helixtrans-62.5-38.6176.4-167.717717.100112.1K512 D513 S519 W520K512-Q516 WeakPolarHBondContact O-CB 3.32Å; K512-Q516 PolarHBondContact O-N 2.66Å; D513-Q516 PolarHBondContact O-N 3.31Å; Q516-S519 PolarHBondContact O-N 2.93Å; Q516-W520 VanDerWaalsContact O-CD1 3.25Å; Q516-W520 PolarHBondContact O-N 3.2Å
517A83.9Confident80.8Confident41 Ų4170 Ų7034%0.33936%0.363SS..Hα-helixtrans-65.8-41.2174.500000112.5D513 I514 Q515 W520 L521 L573D513-A517 WeakPolarHBondContact O-CB 3.48Å; D513-A517 PolarHBondContact O-N 2.76Å; I514-A517 PolarHBondContact O-N 2.91Å; Q515-A517 VanDerWaalsContact C-N 3.32Å; Q515-A517 PolarHBondContact O-N 3.25Å; A517-W520 PolarHBondContact O-N 3.01Å; A517-L521 WeakPolarHBondContact O-CG 3.4Å; A517-L521 PolarHBondContact O-N 3.33Å; A517-L573 HydrophobicContact CB-CD1 3.93Å
518I87.6Confident82.9Confident8 Ų867.5 Ų67.54%0.04135%0.35CS..Hα-helixtrans-59.9-48.4172.6-70.6165.1000110.2I514 Q515 W520 L521 E522 I570 L573 Q574I514-I518 HydrophobicContact CG2-CD1 4.06Å; I514-I518 WeakPolarHBondContact O-CG1 3.49Å; I514-I518 PolarHBondContact O-N 3.11Å; Q515-I518 PolarHBondContact O-N 3.12Å; I518-W520 VanDerWaalsContact C-N 3.33Å; I518-W520 PolarHBondContact O-N 2.87Å; I518-L521 PolarHBondContact O-N 3.44Å; I518-E522 HydrophobicContact CG2-CG 4.41Å; I518-E522 WeakPolarHBondContact O-CG 3.42Å; I518-E522 PolarHBondContact O-N 3.33Å; I518-I570 HydrophobicContact CG2-CG2 4.34Å; I518-L573 HydrophobicContact CD1-CB 3.89Å; I518-L573 HydrophobicContact CG1-CB 3.64Å; I518-L573 HydrophobicContact CG1-CD1 3.94Å; I518-L573 HydrophobicContact CG1-CG 4.47Å; I518-Q574 HydrophobicContact CD1-CG 4Å
519S88.5Confident84.9Confident63 Ų6366 Ų6644%0.44133%0.334SS..Hα-helixtrans-58.9-41.1178.6-55.70000112.8Q515 Q516 E522 V523Q515-S519 PolarHBondContact O-N 3.17Å; Q515-S519 PolarHBondContact O-OG 3.22Å; Q515-S519 VanDerWaalsContact O-OG 3.06Å; Q516-S519 PolarHBondContact O-N 2.93Å; S519-E522 PolarHBondContact O-N 2.81Å; S519-V523 WeakPolarHBondContact O-CG2 3.48Å; S519-V523 PolarHBondContact O-N 3.09Å
520W86Confident86.7Confident136 Ų13667.8 Ų67.852%0.51535%0.348SS..Hα-helixtrans-64.3-42.5175.3-84.6117.8000112.9Q516 A517 I518 E522 V523 E524Q516-W520 VanDerWaalsContact O-CD1 3.25Å; Q516-W520 PolarHBondContact O-N 3.2Å; A517-W520 PolarHBondContact O-N 3.01Å; I518-W520 VanDerWaalsContact C-N 3.33Å; I518-W520 PolarHBondContact O-N 2.87Å; W520-E522 VanDerWaalsContact C-N 3.34Å; W520-V523 PolarHBondContact O-N 3.14Å; W520-E524 PolarHBondContact O-N 3.29Å
521L91.3Very high87.7Confident24 Ų2465.8 Ų65.813%0.12634%0.337CS..Hα-helixtrans-65.8-36.1176.3-70.2167.8000112A517 I518 E524 L525 L566 Q569 I570 L573A517-L521 WeakPolarHBondContact O-CG 3.4Å; A517-L521 PolarHBondContact O-N 3.33Å; I518-L521 PolarHBondContact O-N 3.44Å; L521-E524 PolarHBondContact O-N 3.31Å; L521-L525 WeakPolarHBondContact O-CB 3.44Å; L521-L525 PolarHBondContact O-N 3.25Å; L521-L566 HydrophobicContact CD2-CD2 3.7Å; L521-Q569 HydrophobicContact CD1-CB 3.95Å; L521-Q569 HydrophobicContact CD2-CB 4.4Å; L521-I570 HydrophobicContact CB-CD1 3.97Å; L521-I570 HydrophobicContact CB-CG1 3.51Å; L521-I570 HydrophobicContact CD1-CG1 4.16Å; L521-I570 HydrophobicContact CG-CG1 4.47Å; L521-L573 HydrophobicContact CD1-CD1 3.76Å
522E92.1Very high88.6Confident82 Ų8263 Ų6338%0.38333%0.325SS..Hα-helixtrans-65.5-38.3173.8-73.8-173.8165.200112.1I518 S519 W520 N526 I570I518-E522 HydrophobicContact CG2-CG 4.41Å; I518-E522 WeakPolarHBondContact O-CG 3.42Å; I518-E522 PolarHBondContact O-N 3.33Å; S519-E522 PolarHBondContact O-N 2.81Å; W520-E522 VanDerWaalsContact C-N 3.34Å; E522-N526 WeakPolarHBondContact O-CB 3.07Å; E522-N526 VanDerWaalsContact O-CG 3.32Å; E522-N526 PolarHBondContact O-N 3.26Å; E522-N526 PolarHBondContact O-ND2 3.45Å; E522-I570 HydrophobicContact CG-CD1 3.92Å; E522-I570 HydrophobicContact CG-CG1 4.49Å
523V90Very high89.2Confident89 Ų8960 Ų6054%0.53932%0.316SS..Hα-helixtrans-64.2-45.5172.8170.90000111.2S519 W520 N526 A527S519-V523 WeakPolarHBondContact O-CG2 3.48Å; S519-V523 PolarHBondContact O-N 3.09Å; W520-V523 PolarHBondContact O-N 3.14Å; V523-N526 PolarHBondContact O-N 2.89Å; V523-A527 WeakPolarHBondContact O-CB 3.34Å; V523-A527 PolarHBondContact O-N 3.2Å
524E91.5Very high89.9Confident81 Ų8158.7 Ų58.738%0.37932%0.316SS..Hα-helixtrans-64.2-43.3176.6-167176.4169.300111.6W520 L521 N526 A527 V528 L566W520-E524 PolarHBondContact O-N 3.29Å; L521-E524 PolarHBondContact O-N 3.31Å; E524-N526 VanDerWaalsContact C-N 3.34Å; E524-N526 PolarHBondContact O-N 3.36Å; E524-A527 WeakPolarHBondContact O-CB 3.34Å; E524-A527 PolarHBondContact O-N 2.76Å; E524-A527 VanDerWaalsContact O-N 3.16Å; E524-V528 HydrophobicContact CG-CG2 4.35Å; E524-V528 WeakPolarHBondContact O-CG2 3.32Å; E524-V528 PolarHBondContact O-N 3.4Å; E524-L566 HydrophobicContact CB-CD1 4.24Å; E524-L566 HydrophobicContact CB-CD2 4.41Å; E524-L566 HydrophobicContact CG-CD1 3.88Å; E524-L566 HydrophobicContact CG-CD2 4.33Å
525L92.7Very high90.4Very high15 Ų1558.5 Ų58.58%0.07932%0.315CS..Hα-helixtrans-57.3-46.1177.3177.560.8000111.7L521 V528 K529 I563 L566 E567 I570L521-L525 WeakPolarHBondContact O-CB 3.44Å; L521-L525 PolarHBondContact O-N 3.25Å; L525-V528 PolarHBondContact O-N 3.21Å; L525-K529 HydrophobicContact CD1-CD 4.18Å; L525-K529 HydrophobicContact CD1-CG 4.5Å; L525-K529 HydrophobicContact CG-CD 4.17Å; L525-K529 WeakPolarHBondContact O-CB 3.18Å; L525-K529 VanDerWaalsContact O-CG 3.32Å; L525-K529 WeakPolarHBondContact O-CG 3.27Å; L525-K529 PolarHBondContact O-N 3.01Å; L525-I563 HydrophobicContact CD1-CB 4.29Å; L525-I563 HydrophobicContact CD1-CG1 4.25Å; L525-I563 HydrophobicContact CD1-CG2 3.97Å; L525-L566 HydrophobicContact CB-CB 4.3Å; L525-L566 HydrophobicContact CB-CD1 4.4Å; L525-L566 HydrophobicContact CD1-CB 4.08Å; L525-E567 HydrophobicContact CD1-CG 3.76Å; L525-E567 HydrophobicContact CD2-CG 3.72Å; L525-E567 HydrophobicContact CG-CG 4.42Å; L525-I570 HydrophobicContact CB-CD1 4.35Å; L525-I570 HydrophobicContact CD2-CD1 3.71Å
526N92.7Very high90.7Very high90 Ų9059.3 Ų59.348%0.48132%0.32SS..Hα-helixtrans-66.9-38.6177.2-74.3-43.5000112E522 V523 E524 K529 N530E522-N526 WeakPolarHBondContact O-CB 3.07Å; E522-N526 VanDerWaalsContact O-CG 3.32Å; E522-N526 PolarHBondContact O-N 3.26Å; E522-N526 PolarHBondContact O-ND2 3.45Å; V523-N526 PolarHBondContact O-N 2.89Å; E524-N526 VanDerWaalsContact C-N 3.34Å; E524-N526 PolarHBondContact O-N 3.36Å; N526-K529 PolarHBondContact O-N 2.9Å; N526-N530 WeakPolarHBondContact O-CB 3.1Å; N526-N530 PolarHBondContact O-N 3.13Å; N526-N530 PolarHBondContact O-ND2 2.86Å
527A91Very high91.1Very high47 Ų4763.1 Ų63.139%0.38834%0.335SS..Hα-helixtrans-62.2-46.5173.900000112V523 E524 N530 I531V523-A527 WeakPolarHBondContact O-CB 3.34Å; V523-A527 PolarHBondContact O-N 3.2Å; E524-A527 WeakPolarHBondContact O-CB 3.34Å; E524-A527 PolarHBondContact O-N 2.76Å; E524-A527 VanDerWaalsContact O-N 3.16Å; A527-N530 PolarHBondContact O-N 3.32Å; A527-I531 VanDerWaalsContact O-CG1 3.3Å; A527-I531 WeakPolarHBondContact O-CG1 3.37Å; A527-I531 PolarHBondContact O-N 2.99Å
528V89.9Confident91.4Very high8 Ų861.7 Ų61.75%0.04832%0.322CS..Hα-helixtrans-67.2-38.7179.4-179.70000111.6E524 L525 I531 M532 N559 T562 I563 L566E524-V528 HydrophobicContact CG-CG2 4.35Å; E524-V528 WeakPolarHBondContact O-CG2 3.32Å; E524-V528 PolarHBondContact O-N 3.4Å; L525-V528 PolarHBondContact O-N 3.21Å; V528-I531 PolarHBondContact O-N 2.6Å; V528-M532 WeakPolarHBondContact O-CB 3.4Å; V528-M532 PolarHBondContact O-N 2.82Å; V528-N559 HydrophobicContact CG1-CB 3.95Å; V528-N559 PolarHBondContact O-ND2 3.33Å; V528-T562 HydrophobicContact CG1-CG2 4.03Å; V528-T562 HydrophobicContact CG2-CG2 4.01Å; V528-I563 HydrophobicContact CB-CG1 4.28Å; V528-I563 HydrophobicContact CG1-CD1 4.2Å; V528-I563 HydrophobicContact CG1-CG1 3.77Å; V528-L566 HydrophobicContact CG2-CD1 4.12Å
529K94.2Very high91.4Very high65 Ų6561.4 Ų61.428%0.28332%0.321SS..Hα-helixtrans-58.4-46.8171.8-78.3173.4176.7171.60111.7L525 N526 I531 M532 L533 I563 E567L525-K529 HydrophobicContact CD1-CD 4.18Å; L525-K529 HydrophobicContact CD1-CG 4.5Å; L525-K529 HydrophobicContact CG-CD 4.17Å; L525-K529 WeakPolarHBondContact O-CB 3.18Å; L525-K529 VanDerWaalsContact O-CG 3.32Å; L525-K529 WeakPolarHBondContact O-CG 3.27Å; L525-K529 PolarHBondContact O-N 3.01Å; N526-K529 PolarHBondContact O-N 2.9Å; K529-I531 PolarHBondContact O-N 3.19Å; K529-M532 WeakPolarHBondContact O-CB 3.3Å; K529-M532 PolarHBondContact O-N 3.45Å; K529-L533 WeakPolarHBondContact O-CG 3.4Å; K529-L533 PolarHBondContact O-N 3.03Å; K529-I563 HydrophobicContact CB-CD1 4.44Å; K529-I563 HydrophobicContact CG-CD1 3.65Å; K529-I563 HydrophobicContact CG-CG1 3.91Å; K529-E567 VanDerWaalsContact CE-OE1 3.24Å; K529-E567 WeakPolarHBondContact CE-OE1 3.33Å; K529-E567 IonicContact NZ-OE1 3.88Å; K529-E567 PolarHBondContact NZ-OE1 2.82Å
530N93.6Very high91.5Very high106 Ų10662.6 Ų62.657%0.56732%0.323SS*.Hα-helixtrans-62.7-41.7176.1-77.1-34.9000112.8N526 A527 M532 L533 A534N526-N530 WeakPolarHBondContact O-CB 3.1Å; N526-N530 PolarHBondContact O-N 3.13Å; N526-N530 PolarHBondContact O-ND2 2.86Å; A527-N530 PolarHBondContact O-N 3.32Å; N530-M532 VanDerWaalsContact C-N 3.33Å; N530-M532 PolarHBondContact O-N 3.05Å; N530-L533 PolarHBondContact O-N 3.08Å; N530-A534 WeakPolarHBondContact O-CB 3.43Å; N530-A534 PolarHBondContact O-N 2.73Å
531I91Very high91.6Very high52 Ų5259.3 Ų59.327%0.26731%0.313SS..Hα-helixtrans-66.8-34.6175-61.8164000111I324 A527 V528 K529 A534 N535 N559I324-I531 HydrophobicContact CD1-CG2 4.29Å; A527-I531 VanDerWaalsContact O-CG1 3.3Å; A527-I531 WeakPolarHBondContact O-CG1 3.37Å; A527-I531 PolarHBondContact O-N 2.99Å; V528-I531 PolarHBondContact O-N 2.6Å; K529-I531 PolarHBondContact O-N 3.19Å; I531-A534 PolarHBondContact O-N 3.29Å; I531-N535 WeakPolarHBondContact O-CB 3.35Å; I531-N535 VanDerWaalsContact O-CG 3.32Å; I531-N535 PolarHBondContact O-N 3.45Å; I531-N535 PolarHBondContact O-ND2 3.18Å; I531-N559 WeakPolarHBondContact CG2-ND2 3.34Å
532M92.4Very high91.2Very high28 Ų2864.4 Ų64.414%0.13834%0.341CS..Hα-helixtrans-64.5-48.2175.8-170.3174.570.500111.3V528 K529 N530 A534 N535 M536 A556 N559 Q560 I563V528-M532 WeakPolarHBondContact O-CB 3.4Å; V528-M532 PolarHBondContact O-N 2.82Å; K529-M532 WeakPolarHBondContact O-CB 3.3Å; K529-M532 PolarHBondContact O-N 3.45Å; N530-M532 VanDerWaalsContact C-N 3.33Å; N530-M532 PolarHBondContact O-N 3.05Å; M532-A534 VanDerWaalsContact C-N 3.31Å; M532-A534 PolarHBondContact O-N 3.27Å; M532-N535 WeakPolarHBondContact O-CB 3.34Å; M532-N535 PolarHBondContact O-N 3.12Å; M532-N535 VanDerWaalsContact O-N 3.1Å; M532-M536 HydrophobicContact CG-SD 4.42Å; M532-M536 WeakPolarHBondContact O-CG 3.38Å; M532-M536 PolarHBondContact O-N 3.43Å; M532-A556 HydrophobicContact CG-CB 4.34Å; M532-N559 HydrophobicContact CB-CB 3.82Å; M532-N559 HydrophobicContact CG-CB 4Å; M532-N559 PolarHBondContact N-ND2 3.25Å; M532-N559 HydrophobicContact SD-CB 4.37Å; M532-Q560 HydrophobicContact SD-CB 3.93Å; M532-I563 HydrophobicContact CB-CD1 4.23Å; M532-I563 HydrophobicContact CE-CD1 3.66Å; M532-I563 HydrophobicContact SD-CD1 3.61Å
533L93.6Very high90.9Very high89 Ų8969.8 Ų69.847%0.46636%0.363SS..Hα-helixtrans-60.8-40175.9-68172.1000111.7K529 N530 M536 K537K529-L533 WeakPolarHBondContact O-CG 3.4Å; K529-L533 PolarHBondContact O-N 3.03Å; N530-L533 PolarHBondContact O-N 3.08Å; L533-M536 PolarHBondContact O-N 2.85Å; L533-K537 WeakPolarHBondContact O-CB 3.43Å; L533-K537 WeakPolarHBondContact O-CG 3.43Å; L533-K537 PolarHBondContact O-N 3.49Å
534A93.2Very high90.6Very high49 Ų4966.7 Ų66.741%0.40534%0.342SS..Hα-helixtrans-64.1-38.6173.400000112.4N530 I531 M532 C538N530-A534 WeakPolarHBondContact O-CB 3.43Å; N530-A534 PolarHBondContact O-N 2.73Å; I531-A534 PolarHBondContact O-N 3.29Å; M532-A534 VanDerWaalsContact C-N 3.31Å; M532-A534 PolarHBondContact O-N 3.27Å; A534-C538 WeakPolarHBondContact O-CB 3.46Å; A534-C538 PolarHBondContact O-N 3.05Å; A534-C538 PolarHBondContact O-SG 3.21Å
535N92.9Very high90.3Very high3 Ų367.6 Ų67.62%0.01635%0.349CS..Hα-helixtrans-67.4-42.2175.1-79.4-28.6000112.3I324 I531 M532 C538 A539 Y552 A556I324-N535 WeakPolarHBondContact CD1-OD1 3.23Å; I531-N535 WeakPolarHBondContact O-CB 3.35Å; I531-N535 VanDerWaalsContact O-CG 3.32Å; I531-N535 PolarHBondContact O-N 3.45Å; I531-N535 PolarHBondContact O-ND2 3.18Å; M532-N535 WeakPolarHBondContact O-CB 3.34Å; M532-N535 PolarHBondContact O-N 3.12Å; M532-N535 VanDerWaalsContact O-N 3.1Å; N535-C538 CarbonylContact O-C 3.59Å; N535-C538 WeakPolarHBondContact O-CB 3.47Å; N535-C538 PolarHBondContact O-N 3.09Å; N535-A539 WeakPolarHBondContact O-CB 3.42Å; N535-A539 PolarHBondContact O-N 2.98Å; N535-Y552 WeakPolarHBondContact OD1-CD1 3.45Å; N535-A556 HydrophobicContact CB-CB 4.14Å
536M92.1Very high90.1Very high90 Ų9077.5 Ų77.544%0.44339%0.386SS..Hα-helixtrans-62.2-53.6175.5-69.6177.770.900111.1M532 L533 C538 A539 D540 A556M532-M536 HydrophobicContact CG-SD 4.42Å; M532-M536 WeakPolarHBondContact O-CG 3.38Å; M532-M536 PolarHBondContact O-N 3.43Å; L533-M536 PolarHBondContact O-N 2.85Å; M536-C538 PolarHBondContact O-N 2.95Å; M536-C538 VanDerWaalsContact O-N 3.16Å; M536-A539 WeakPolarHBondContact O-CA 3.41Å; M536-A539 WeakPolarHBondContact O-CB 3.22Å; M536-A539 PolarHBondContact O-N 2.97Å; M536-D540 PolarHBondContact O-N 3.48Å; M536-D540 VanDerWaalsContact O-N 3.15Å; M536-A556 HydrophobicContact CG-CB 3.99Å
537K93Very high89.8Confident159 Ų15976.7 Ų76.769%0.69139%0.392SS*.Hα-helixtrans-51.4-42.2172-71.2176.5-179.8-179.70111.5L533 A539 D540 E541L533-K537 WeakPolarHBondContact O-CB 3.43Å; L533-K537 WeakPolarHBondContact O-CG 3.43Å; L533-K537 PolarHBondContact O-N 3.49Å; K537-A539 VanDerWaalsContact C-N 3.3Å; K537-A539 PolarHBondContact O-N 3.27Å; K537-D540 PolarHBondContact O-N 2.88Å; K537-E541 PolarHBondContact O-N 3.41Å
538C89.1Confident89.7Confident11 Ų1175 Ų757%0.07438%0.377CS..Hα-helixtrans-67.7-25177.3-800000115.1R327 A534 N535 M536 K544 Y552R327-C538 PolarHBondContact NH1-SG 3.47Å; A534-C538 WeakPolarHBondContact O-CB 3.46Å; A534-C538 PolarHBondContact O-N 3.05Å; A534-C538 PolarHBondContact O-SG 3.21Å; N535-C538 CarbonylContact O-C 3.59Å; N535-C538 WeakPolarHBondContact O-CB 3.47Å; N535-C538 PolarHBondContact O-N 3.09Å; M536-C538 PolarHBondContact O-N 2.95Å; M536-C538 VanDerWaalsContact O-N 3.16Å; C538-K544 VanDerWaalsContact CB-NZ 3.28Å; C538-K544 PolarHBondContact O-NZ 3.47Å; C538-K544 PolarHBondContact SG-NZ 2.84Å; C538-K544 VanDerWaalsContact SG-NZ 3.39Å; C538-Y552 HydrophobicContact CB-CD1 3.48Å; C538-Y552 VanDerWaalsContact CB-CD1 3.48Å; C538-Y552 HydrophobicContact CB-CD2 3.75Å; C538-Y552 HydrophobicContact CB-CE1 3.55Å; C538-Y552 HydrophobicContact CB-CE2 3.83Å; C538-Y552 HydrophobicContact CB-CG 3.6Å; C538-Y552 WeakPolarHBondContact O-CD2 3.38Å
539A89.6Confident89.6Confident2 Ų278.4 Ų78.42%0.01739%0.389CS..Hα-helixtrans-82.7-26.5178.900000113.2N535 M536 K537 R549 K553N535-A539 WeakPolarHBondContact O-CB 3.42Å; N535-A539 PolarHBondContact O-N 2.98Å; M536-A539 WeakPolarHBondContact O-CA 3.41Å; M536-A539 WeakPolarHBondContact O-CB 3.22Å; M536-A539 PolarHBondContact O-N 2.97Å; K537-A539 VanDerWaalsContact C-N 3.3Å; K537-A539 PolarHBondContact O-N 3.27Å; A539-R549 WeakPolarHBondContact O-CB 3.4Å; A539-R549 WeakPolarHBondContact O-CD 3.22Å; A539-R549 WeakPolarHBondContact O-CG 3.48Å; A539-K553 HydrophobicContact CB-CD 4.26Å; A539-K553 HydrophobicContact CB-CG 3.49Å; A539-K553 VanDerWaalsContact CB-CG 3.49Å
540D89.6Confident89.5Confident89 Ų8983.2 Ų83.248%0.47641%0.41SS..Hα-helixtrans-96.7-11.5-177.4-56.1-40.2000112.6M536 K537 N542 K553M536-D540 PolarHBondContact O-N 3.48Å; M536-D540 VanDerWaalsContact O-N 3.15Å; K537-D540 PolarHBondContact O-N 2.88Å; D540-N542 PolarHBondContact O-N 2.86Å; D540-K553 WeakPolarHBondContact OD1-CE 3.41Å; D540-K553 IonicContact OD1-NZ 2.68Å; D540-K553 PolarHBondContact OD1-NZ 3.44Å
541E88.3Confident89.3Confident66 Ų6680.9 Ų80.931%0.30841%0.405SS..  trans-53.1100167.2-83.8177.7-118.700112.2R327 K537 K543 K544R327-E541 IonicContact NH1-OE1 2.65Å; K537-E541 PolarHBondContact O-N 3.41Å; E541-K543 PolarHBondContact O-N 3.4Å; E541-K543 VanDerWaalsContact O-N 3.07Å; E541-K544 HydrophobicContact CB-CG 4.07Å; E541-K544 PolarHBondContact O-N 2.91Å; E541-K544 IonicContact OE1-NZ 3.27Å; E541-K544 PolarHBondContact OE1-NZ 2.65Å; E541-K544 WeakPolarHBondContact OE2-CE 3.43Å; E541-K544 IonicContact OE2-NZ 2.81Å; E541-K544 PolarHBondContact OE2-NZ 3.02Å
542N82.3Confident89.3Confident132 Ų13278.8 Ų78.871%0.70639%0.394SS*.THydrogen-bonded Turntrans-58.3-22.5178.6-85.5-34.7000114.5D540 K544 R549D540-N542 PolarHBondContact O-N 2.86Å; N542-K544 PolarHBondContact O-N 3.23Å; N542-R549 PolarHBondContact OD1-NH1 3.02Å
543K86.8Confident89.3Confident194 Ų19483 Ų8384%0.84341%0.412SS*.THydrogen-bonded Turntrans-68.4-8.4173.9-63.9-174.7178.7-1770113.7E541E541-K543 PolarHBondContact O-N 3.4Å; E541-K543 VanDerWaalsContact O-N 3.07Å
544K82.5Confident89.2Confident25 Ų2583.2 Ų83.211%0.10941%0.413CS..SBendtrans-98.6139.6179.1-61.5-156.9-170.11120113.2C538 E541 N542 R549 Y552C538-K544 VanDerWaalsContact CB-NZ 3.28Å; C538-K544 PolarHBondContact O-NZ 3.47Å; C538-K544 PolarHBondContact SG-NZ 2.84Å; C538-K544 VanDerWaalsContact SG-NZ 3.39Å; E541-K544 HydrophobicContact CB-CG 4.07Å; E541-K544 PolarHBondContact O-N 2.91Å; E541-K544 IonicContact OE1-NZ 3.27Å; E541-K544 PolarHBondContact OE1-NZ 2.65Å; E541-K544 WeakPolarHBondContact OE2-CE 3.43Å; E541-K544 IonicContact OE2-NZ 2.81Å; E541-K544 PolarHBondContact OE2-NZ 3.02Å; N542-K544 PolarHBondContact O-N 3.23Å; K544-R549 HydrophobicContact CB-CG 4.03Å; K544-R549 PolarHBondContact O-NE 2.94Å; K544-Y552 HydrophobicContact CD-CD2 4.24Å; K544-Y552 HydrophobicContact CD-CE2 3.67Å
545N86.6Confident89Confident99 Ų9981.8 Ų81.853%0.52940%0.401SS..  trans-61156.8177.776.322.1000112.7A547 S548 R549N545-A547 VanDerWaalsContact C-N 3.3Å; N545-A547 PolarHBondContact O-N 3.46Å; N545-S548 WeakPolarHBondContact O-CB 3.49Å; N545-S548 PolarHBondContact O-N 3.28Å; N545-S548 VanDerWaalsContact OD1-CB 3.29Å; N545-S548 WeakPolarHBondContact OD1-CB 3.32Å; N545-S548 PolarHBondContact OD1-N 3.12Å; N545-S548 PolarHBondContact OD1-OG 2.82Å; N545-R549 PolarHBondContact O-N 2.79Å; N545-R549 VanDerWaalsContact O-N 3.09Å
546R87.5Confident89Confident224 Ų22482.2 Ų82.285%0.84541%0.405SS*.Hα-helixtrans-56-40.6-172.8-170.6179.2-178.2-1681.1113R549 K550R546-R549 PolarHBondContact O-N 3.06Å; R546-K550 PolarHBondContact O-N 3.04Å
547A87.2Confident88.9Confident73 Ų7384.2 Ų84.260%0.60341%0.411SS*.Hα-helixtrans-63.9-43.3177.200000112.2N545 R549 K550 A551N545-A547 VanDerWaalsContact C-N 3.3Å; N545-A547 PolarHBondContact O-N 3.46Å; A547-R549 PolarHBondContact O-N 3.25Å; A547-K550 PolarHBondContact O-N 3.35Å; A547-A551 PolarHBondContact O-N 3.09Å
548S88.2Confident88.7Confident12 Ų1282.1 Ų82.18%0.08440%0.399CS..Hα-helixtrans-59.5-46.5175.4-58.40000111.5R323 N545 A551 Y552R323-S548 VanDerWaalsContact NH1-CB 3.33Å; R323-S548 PolarHBondContact NH1-OG 3.29Å; N545-S548 WeakPolarHBondContact O-CB 3.49Å; N545-S548 PolarHBondContact O-N 3.28Å; N545-S548 VanDerWaalsContact OD1-CB 3.29Å; N545-S548 WeakPolarHBondContact OD1-CB 3.32Å; N545-S548 PolarHBondContact OD1-N 3.12Å; N545-S548 PolarHBondContact OD1-OG 2.82Å; S548-A551 PolarHBondContact O-N 3.33Å; S548-Y552 WeakPolarHBondContact O-CD2 3.21Å; S548-Y552 PolarHBondContact O-N 2.72Å
549R88.6Confident89Confident78 Ų7882.8 Ų82.829%0.29440%0.402SS..Hα-helixtrans-63.4-42.7178.6-66.4-165.9-89.7174.2-3.1111.6A539 N542 K544 N545 R546 A547 A551 Y552 K553A539-R549 WeakPolarHBondContact O-CB 3.4Å; A539-R549 WeakPolarHBondContact O-CD 3.22Å; A539-R549 WeakPolarHBondContact O-CG 3.48Å; N542-R549 PolarHBondContact OD1-NH1 3.02Å; K544-R549 HydrophobicContact CB-CG 4.03Å; K544-R549 PolarHBondContact O-NE 2.94Å; N545-R549 PolarHBondContact O-N 2.79Å; N545-R549 VanDerWaalsContact O-N 3.09Å; R546-R549 PolarHBondContact O-N 3.06Å; A547-R549 PolarHBondContact O-N 3.25Å; R549-A551 PolarHBondContact O-N 2.86Å; R549-Y552 PolarHBondContact O-N 2.86Å; R549-K553 WeakPolarHBondContact O-CG 3.25Å; R549-K553 PolarHBondContact O-N 3.03Å
550K90.6Very high89.1Confident167 Ų16786.7 Ų86.773%0.72642%0.42SS*.Hα-helixtrans-58.6-43.7172.9-171.5178.6179.8-177.40112.2R546 A547 K553 L554R546-K550 PolarHBondContact O-N 3.04Å; A547-K550 PolarHBondContact O-N 3.35Å; K550-K553 PolarHBondContact O-N 3.17Å; K550-L554 PolarHBondContact O-N 2.83Å
551A89.4Confident89.1Confident57 Ų5787.1 Ų87.147%0.47142%0.419SS..Hα-helixtrans-64.4-41177.800000112.7A547 S548 R549 L554 A555A547-A551 PolarHBondContact O-N 3.09Å; S548-A551 PolarHBondContact O-N 3.33Å; R549-A551 PolarHBondContact O-N 2.86Å; A551-L554 PolarHBondContact O-N 2.93Å; A551-A555 WeakPolarHBondContact O-CB 3.28Å; A551-A555 PolarHBondContact O-N 3.05Å
552Y92.7Very high89.2Confident7 Ų786.4 Ų86.43%0.02742%0.419CS..Hα-helixtrans-67.1-37.5175.4-75.9-63.6000112.9R323 N535 C538 K544 S548 R549 A555 A556R323-Y552 WeakPolarHBondContact CB-OH 3.15Å; R323-Y552 WeakPolarHBondContact CD-OH 3.38Å; N535-Y552 WeakPolarHBondContact OD1-CD1 3.45Å; C538-Y552 HydrophobicContact CB-CD1 3.48Å; C538-Y552 VanDerWaalsContact CB-CD1 3.48Å; C538-Y552 HydrophobicContact CB-CD2 3.75Å; C538-Y552 HydrophobicContact CB-CE1 3.55Å; C538-Y552 HydrophobicContact CB-CE2 3.83Å; C538-Y552 HydrophobicContact CB-CG 3.6Å; C538-Y552 WeakPolarHBondContact O-CD2 3.38Å; K544-Y552 HydrophobicContact CD-CD2 4.24Å; K544-Y552 HydrophobicContact CD-CE2 3.67Å; S548-Y552 WeakPolarHBondContact O-CD2 3.21Å; S548-Y552 PolarHBondContact O-N 2.72Å; R549-Y552 PolarHBondContact O-N 2.86Å; Y552-A555 PolarHBondContact O-N 3.02Å; Y552-A556 WeakPolarHBondContact O-CB 3.38Å; Y552-A556 PolarHBondContact O-N 3.04Å
553K90.8Very high89.7Confident117 Ų11780.3 Ų80.351%0.50939%0.386SS..Hα-helixtrans-66.3-37.3173.2-61.2-157.1178.9-152.80112.3A539 D540 R549 K550 A556 K557A539-K553 HydrophobicContact CB-CD 4.26Å; A539-K553 HydrophobicContact CB-CG 3.49Å; A539-K553 VanDerWaalsContact CB-CG 3.49Å; D540-K553 WeakPolarHBondContact OD1-CE 3.41Å; D540-K553 IonicContact OD1-NZ 2.68Å; D540-K553 PolarHBondContact OD1-NZ 3.44Å; R549-K553 WeakPolarHBondContact O-CG 3.25Å; R549-K553 PolarHBondContact O-N 3.03Å; K550-K553 PolarHBondContact O-N 3.17Å; K553-A556 PolarHBondContact O-N 3Å; K553-K557 PolarHBondContact O-N 3.42Å
554L91.3Very high90Very high93 Ų9374 Ų7449%0.48737%0.365SS..Hα-helixtrans-66.4-39.8173.8-176.961.8000112.4K550 A551 K557 R558K550-L554 PolarHBondContact O-N 2.83Å; A551-L554 PolarHBondContact O-N 2.93Å; L554-K557 PolarHBondContact O-N 3.29Å; L554-R558 PolarHBondContact O-N 3.41Å; L554-R558 VanDerWaalsContact O-N 3.16Å
555A90.3Very high90.4Very high20 Ų2077 Ų7717%0.16538%0.382CS..Hα-helixtrans-65-42.2174.100000111.8A551 Y552 K557 R558 N559A551-A555 WeakPolarHBondContact O-CB 3.28Å; A551-A555 PolarHBondContact O-N 3.05Å; Y552-A555 PolarHBondContact O-N 3.02Å; A555-K557 VanDerWaalsContact C-N 3.35Å; A555-K557 PolarHBondContact O-N 2.92Å; A555-R558 PolarHBondContact O-N 2.99Å; A555-N559 PolarHBondContact O-N 3.11Å; A555-N559 PolarHBondContact O-OD1 2.98Å
556A91.6Very high90.7Very high12 Ų1272.6 Ų72.610%0.09936%0.358CS..Hα-helixtrans-59.8-41.7174.200000112.4M532 N535 M536 Y552 K553 R558 N559 Q560M532-A556 HydrophobicContact CG-CB 4.34Å; N535-A556 HydrophobicContact CB-CB 4.14Å; M536-A556 HydrophobicContact CG-CB 3.99Å; Y552-A556 WeakPolarHBondContact O-CB 3.38Å; Y552-A556 PolarHBondContact O-N 3.04Å; K553-A556 PolarHBondContact O-N 3Å; A556-R558 PolarHBondContact O-N 3.22Å; A556-N559 PolarHBondContact O-N 3.32Å; A556-Q560 PolarHBondContact O-N 3.34Å
557K91.5Very high91.1Very high131 Ų13165.3 Ų65.357%0.5733%0.333SS*.Hα-helixtrans-59.6-46.7175-167-170.5-176.3-105.90112.1K553 L554 A555 N559 Q560 E561K553-K557 PolarHBondContact O-N 3.42Å; L554-K557 PolarHBondContact O-N 3.29Å; A555-K557 VanDerWaalsContact C-N 3.35Å; A555-K557 PolarHBondContact O-N 2.92Å; K557-N559 PolarHBondContact O-N 3.03Å; K557-Q560 WeakPolarHBondContact O-CB 3.45Å; K557-Q560 PolarHBondContact O-N 3.09Å; K557-Q560 VanDerWaalsContact O-N 3.15Å; K557-E561 WeakPolarHBondContact CE-OE1 3.46Å; K557-E561 IonicContact NZ-OE1 3.4Å; K557-E561 PolarHBondContact NZ-OE1 3.24Å; K557-E561 WeakPolarHBondContact O-CG 3.44Å; K557-E561 PolarHBondContact O-N 2.84Å; K557-E561 VanDerWaalsContact O-N 3.1Å
558R89Confident91.3Very high115 Ų11566.8 Ų66.843%0.43433%0.331SS..Hα-helixtrans-63.8-39.7177.7-74.3179.1173.8168.8-5.3112.4M319 L554 A555 A556 Q560 E561 T562M319-R558 PolarHBondContact SD-NH1 3.38Å; L554-R558 PolarHBondContact O-N 3.41Å; L554-R558 VanDerWaalsContact O-N 3.16Å; A555-R558 PolarHBondContact O-N 2.99Å; A556-R558 PolarHBondContact O-N 3.22Å; R558-Q560 VanDerWaalsContact C-N 3.28Å; R558-Q560 PolarHBondContact O-N 3.17Å; R558-E561 WeakPolarHBondContact O-CB 3.43Å; R558-E561 PolarHBondContact O-N 3.06Å; R558-T562 PolarHBondContact O-N 2.86Å; R558-T562 PolarHBondContact O-OG1 2.97Å
559N93.5Very high91.3Very high25 Ų2569 Ų6913%0.13434%0.341CS..Hα-helixtrans-60.8-37.3173-76.642000112.2V528 I531 M532 A555 A556 K557 T562 I563V528-N559 HydrophobicContact CG1-CB 3.95Å; V528-N559 PolarHBondContact O-ND2 3.33Å; I531-N559 WeakPolarHBondContact CG2-ND2 3.34Å; M532-N559 HydrophobicContact CB-CB 3.82Å; M532-N559 HydrophobicContact CG-CB 4Å; M532-N559 PolarHBondContact N-ND2 3.25Å; M532-N559 HydrophobicContact SD-CB 4.37Å; A555-N559 PolarHBondContact O-N 3.11Å; A555-N559 PolarHBondContact O-OD1 2.98Å; A556-N559 PolarHBondContact O-N 3.32Å; K557-N559 PolarHBondContact O-N 3.03Å; N559-T562 WeakPolarHBondContact O-CB 3.5Å; N559-T562 PolarHBondContact O-N 2.72Å; N559-I563 WeakPolarHBondContact O-CB 3.05Å; N559-I563 WeakPolarHBondContact O-CD1 3.34Å; N559-I563 VanDerWaalsContact O-CG1 3.24Å; N559-I563 WeakPolarHBondContact O-CG1 3.48Å; N559-I563 PolarHBondContact O-N 2.97Å
560Q93Very high91.4Very high85 Ų8565.9 Ų65.940%0.39733%0.329SS..Hα-helixtrans-65-39.5175.2-175.458.770.200112M532 A556 K557 R558 T562 I563 T564M532-Q560 HydrophobicContact SD-CB 3.93Å; A556-Q560 PolarHBondContact O-N 3.34Å; K557-Q560 WeakPolarHBondContact O-CB 3.45Å; K557-Q560 PolarHBondContact O-N 3.09Å; K557-Q560 VanDerWaalsContact O-N 3.15Å; R558-Q560 VanDerWaalsContact C-N 3.28Å; R558-Q560 PolarHBondContact O-N 3.17Å; Q560-T562 VanDerWaalsContact C-N 3.34Å; Q560-I563 PolarHBondContact O-N 3.39Å; Q560-T564 PolarHBondContact O-N 3.3Å; Q560-T564 VanDerWaalsContact O-N 3.15Å; Q560-T564 PolarHBondContact O-OG1 3.23Å
561E89.5Confident91.5Very high97 Ų9762.9 Ų62.945%0.45332%0.318SS..Hα-helixtrans-62.7-39.8173.5-65.8158.1-178.600111.1K557 R558 N565K557-E561 WeakPolarHBondContact CE-OE1 3.46Å; K557-E561 IonicContact NZ-OE1 3.4Å; K557-E561 PolarHBondContact NZ-OE1 3.24Å; K557-E561 WeakPolarHBondContact O-CG 3.44Å; K557-E561 PolarHBondContact O-N 2.84Å; K557-E561 VanDerWaalsContact O-N 3.1Å; R558-E561 WeakPolarHBondContact O-CB 3.43Å; R558-E561 PolarHBondContact O-N 3.06Å; E561-N565 PolarHBondContact O-N 2.71Å
562T90Very high91.5Very high51 Ų5162 Ų6231%0.31331%0.314SS..Hα-helixtrans-66.5-42172.6-55.10000113.1V528 R558 N559 Q560 N565 L566V528-T562 HydrophobicContact CG1-CG2 4.03Å; V528-T562 HydrophobicContact CG2-CG2 4.01Å; R558-T562 PolarHBondContact O-N 2.86Å; R558-T562 PolarHBondContact O-OG1 2.97Å; N559-T562 WeakPolarHBondContact O-CB 3.5Å; N559-T562 PolarHBondContact O-N 2.72Å; Q560-T562 VanDerWaalsContact C-N 3.34Å; T562-N565 WeakPolarHBondContact O-CB 3.31Å; T562-N565 PolarHBondContact O-N 3.48Å; T562-L566 HydrophobicContact CG2-CD1 3.98Å; T562-L566 HydrophobicContact CG2-CG 4.45Å; T562-L566 WeakPolarHBondContact O-CG 3.41Å; T562-L566 PolarHBondContact O-N 2.88Å
563I93Very high91.4Very high4 Ų464 Ų642%0.02133%0.325CS..Hα-helixtrans-57.9-50.8179.1-78.6160.9000110.8L525 V528 K529 M532 N559 Q560 N565 L566 E567L525-I563 HydrophobicContact CD1-CB 4.29Å; L525-I563 HydrophobicContact CD1-CG1 4.25Å; L525-I563 HydrophobicContact CD1-CG2 3.97Å; V528-I563 HydrophobicContact CB-CG1 4.28Å; V528-I563 HydrophobicContact CG1-CD1 4.2Å; V528-I563 HydrophobicContact CG1-CG1 3.77Å; K529-I563 HydrophobicContact CB-CD1 4.44Å; K529-I563 HydrophobicContact CG-CD1 3.65Å; K529-I563 HydrophobicContact CG-CG1 3.91Å; M532-I563 HydrophobicContact CB-CD1 4.23Å; M532-I563 HydrophobicContact CE-CD1 3.66Å; M532-I563 HydrophobicContact SD-CD1 3.61Å; N559-I563 WeakPolarHBondContact O-CB 3.05Å; N559-I563 WeakPolarHBondContact O-CD1 3.34Å; N559-I563 VanDerWaalsContact O-CG1 3.24Å; N559-I563 WeakPolarHBondContact O-CG1 3.48Å; N559-I563 PolarHBondContact O-N 2.97Å; Q560-I563 PolarHBondContact O-N 3.39Å; I563-N565 VanDerWaalsContact C-N 3.27Å; I563-N565 PolarHBondContact O-N 3.3Å; I563-L566 PolarHBondContact O-N 3.35Å; I563-E567 WeakPolarHBondContact CG2-OE2 3.4Å; I563-E567 WeakPolarHBondContact O-CB 3.29Å; I563-E567 WeakPolarHBondContact O-CG 3.47Å; I563-E567 PolarHBondContact O-N 3.4Å
564T92.8Very high91.3Very high63 Ų6362 Ų6239%0.38732%0.317SS..Hα-helixtrans-64.1-32.2179.2-58.90000112.2Q560 N568Q560-T564 PolarHBondContact O-N 3.3Å; Q560-T564 VanDerWaalsContact O-N 3.15Å; Q560-T564 PolarHBondContact O-OG1 3.23Å; T564-N568 WeakPolarHBondContact O-CB 3.42Å; T564-N568 PolarHBondContact O-N 3.36Å; T564-N568 PolarHBondContact O-ND2 3.26Å
565N91.2Very high91Very high88 Ų8860.6 Ų60.647%0.47131%0.309SS..Hα-helixtrans-66.7-45.4173.7-171.16.2000112.2E561 T562 I563 N568 Q569E561-N565 PolarHBondContact O-N 2.71Å; T562-N565 WeakPolarHBondContact O-CB 3.31Å; T562-N565 PolarHBondContact O-N 3.48Å; I563-N565 VanDerWaalsContact C-N 3.27Å; I563-N565 PolarHBondContact O-N 3.3Å; N565-N568 PolarHBondContact O-N 3.24Å; N565-Q569 WeakPolarHBondContact O-CG 3.16Å; N565-Q569 PolarHBondContact O-N 3.11Å; N565-Q569 PolarHBondContact O-NE2 2.67Å; N565-Q569 PolarHBondContact OD1-NE2 3.05Å
566L93.8Very high90.6Very high6 Ų663.9 Ų63.93%0.03132%0.318CS..Hα-helixtrans-66-40.1177.8-69.5168.4000112L521 E524 L525 V528 T562 I563 N568 Q569 I570L521-L566 HydrophobicContact CD2-CD2 3.7Å; E524-L566 HydrophobicContact CB-CD1 4.24Å; E524-L566 HydrophobicContact CB-CD2 4.41Å; E524-L566 HydrophobicContact CG-CD1 3.88Å; E524-L566 HydrophobicContact CG-CD2 4.33Å; L525-L566 HydrophobicContact CB-CB 4.3Å; L525-L566 HydrophobicContact CB-CD1 4.4Å; L525-L566 HydrophobicContact CD1-CB 4.08Å; V528-L566 HydrophobicContact CG2-CD1 4.12Å; T562-L566 HydrophobicContact CG2-CD1 3.98Å; T562-L566 HydrophobicContact CG2-CG 4.45Å; T562-L566 WeakPolarHBondContact O-CG 3.41Å; T562-L566 PolarHBondContact O-N 2.88Å; I563-L566 PolarHBondContact O-N 3.35Å; L566-N568 PolarHBondContact O-N 3.14Å; L566-Q569 PolarHBondContact O-N 3.4Å; L566-I570 WeakPolarHBondContact O-CG1 3.31Å; L566-I570 PolarHBondContact O-N 3.02Å
567E94.8Very high90.1Very high70 Ų7063.9 Ų63.933%0.32732%0.317SS..Hα-helixtrans-61.6-42.3174.5-73.2167.5162.600111.8L525 K529 I563 Q569 I570 H571L525-E567 HydrophobicContact CD1-CG 3.76Å; L525-E567 HydrophobicContact CD2-CG 3.72Å; L525-E567 HydrophobicContact CG-CG 4.42Å; K529-E567 VanDerWaalsContact CE-OE1 3.24Å; K529-E567 WeakPolarHBondContact CE-OE1 3.33Å; K529-E567 IonicContact NZ-OE1 3.88Å; K529-E567 PolarHBondContact NZ-OE1 2.82Å; I563-E567 WeakPolarHBondContact CG2-OE2 3.4Å; I563-E567 WeakPolarHBondContact O-CB 3.29Å; I563-E567 WeakPolarHBondContact O-CG 3.47Å; I563-E567 PolarHBondContact O-N 3.4Å; E567-Q569 PolarHBondContact O-N 2.65Å; E567-I570 PolarHBondContact O-N 2.99Å; E567-H571 WeakPolarHBondContact O-CB 3.48Å; E567-H571 PolarHBondContact O-N 3.41Å
568N91.4Very high89.7Confident104 Ų10462.8 Ų62.856%0.55631%0.314SS*.Hα-helixtrans-63.7-37.5173.9-73-23.1000112.8T564 N565 L566 G572T564-N568 WeakPolarHBondContact O-CB 3.42Å; T564-N568 PolarHBondContact O-N 3.36Å; T564-N568 PolarHBondContact O-ND2 3.26Å; N565-N568 PolarHBondContact O-N 3.24Å; L566-N568 PolarHBondContact O-N 3.14Å; N568-G572 PolarHBondContact O-N 3.25Å
569Q88.3Confident89.2Confident60 Ų6064.2 Ų64.228%0.2832%0.323SS..Hα-helixtrans-68.9-44.4177.8-73.3171.455.700112.1L521 N565 L566 E567 G572 L573L521-Q569 HydrophobicContact CD1-CB 3.95Å; L521-Q569 HydrophobicContact CD2-CB 4.4Å; N565-Q569 WeakPolarHBondContact O-CG 3.16Å; N565-Q569 PolarHBondContact O-N 3.11Å; N565-Q569 PolarHBondContact O-NE2 2.67Å; N565-Q569 PolarHBondContact OD1-NE2 3.05Å; L566-Q569 PolarHBondContact O-N 3.4Å; E567-Q569 PolarHBondContact O-N 2.65Å; Q569-G572 PolarHBondContact O-N 3.39Å; Q569-L573 PolarHBondContact O-N 3.03Å
570I91.7Very high88.2Confident12 Ų1265.4 Ų65.46%0.06233%0.326CS..Hα-helixtrans-58.7-49.3174.4-68.7160.2000110.1I518 L521 E522 L525 L566 E567 G572 L573 Q574I518-I570 HydrophobicContact CG2-CG2 4.34Å; L521-I570 HydrophobicContact CB-CD1 3.97Å; L521-I570 HydrophobicContact CB-CG1 3.51Å; L521-I570 HydrophobicContact CD1-CG1 4.16Å; L521-I570 HydrophobicContact CG-CG1 4.47Å; E522-I570 HydrophobicContact CG-CD1 3.92Å; E522-I570 HydrophobicContact CG-CG1 4.49Å; L525-I570 HydrophobicContact CB-CD1 4.35Å; L525-I570 HydrophobicContact CD2-CD1 3.71Å; L566-I570 WeakPolarHBondContact O-CG1 3.31Å; L566-I570 PolarHBondContact O-N 3.02Å; E567-I570 PolarHBondContact O-N 2.99Å; I570-G572 VanDerWaalsContact C-N 3.31Å; I570-G572 PolarHBondContact O-N 2.78Å; I570-L573 PolarHBondContact O-N 3.26Å; I570-Q574 HydrophobicContact CG2-CG 4.35Å; I570-Q574 WeakPolarHBondContact O-CB 3.38Å; I570-Q574 VanDerWaalsContact O-CG 3.32Å; I570-Q574 WeakPolarHBondContact O-CG 3.45Å; I570-Q574 PolarHBondContact O-N 3.09Å
571H91.5Very high87.1Confident103 Ų10364.5 Ų64.548%0.47732%0.321SS..Hα-helixtrans-59.2-41176.9-176.7-91.9000112E567 L573 Q574 M575E567-H571 WeakPolarHBondContact O-CB 3.48Å; E567-H571 PolarHBondContact O-N 3.41Å; H571-L573 PolarHBondContact O-N 3.46Å; H571-Q574 PolarHBondContact O-N 3.04Å; H571-M575 VanDerWaalsContact CE1-CG 3.48Å; H571-M575 WeakPolarHBondContact CE1-CG 3.37Å; H571-M575 WeakPolarHBondContact O-CB 3.22Å; H571-M575 VanDerWaalsContact O-CG 3.23Å; H571-M575 WeakPolarHBondContact O-CG 3.46Å; H571-M575 PolarHBondContact O-N 3Å
572G89.8Confident86.2Confident38 Ų3865.4 Ų65.439%0.39233%0.328SS..Hα-helixtrans-58.8-45.9175.700000113.5N568 Q569 I570 M575 Y576N568-G572 PolarHBondContact O-N 3.25Å; Q569-G572 PolarHBondContact O-N 3.39Å; I570-G572 VanDerWaalsContact C-N 3.31Å; I570-G572 PolarHBondContact O-N 2.78Å; G572-M575 PolarHBondContact O-N 2.94Å; G572-Y576 PolarHBondContact O-N 3.05Å
573L90Very high85.2Confident51 Ų5168.3 Ų68.327%0.26734%0.341SS..Hα-helixtrans-70.3-36177.1-66.5179.5000112.7I514 A517 I518 L521 Q569 I570 H571 Y576 T577I514-L573 HydrophobicContact CG2-CB 4.16Å; I514-L573 HydrophobicContact CG2-CD2 4.47Å; A517-L573 HydrophobicContact CB-CD1 3.93Å; I518-L573 HydrophobicContact CD1-CB 3.89Å; I518-L573 HydrophobicContact CG1-CB 3.64Å; I518-L573 HydrophobicContact CG1-CD1 3.94Å; I518-L573 HydrophobicContact CG1-CG 4.47Å; L521-L573 HydrophobicContact CD1-CD1 3.76Å; Q569-L573 PolarHBondContact O-N 3.03Å; I570-L573 PolarHBondContact O-N 3.26Å; H571-L573 PolarHBondContact O-N 3.46Å; L573-Y576 PolarHBondContact O-N 3.21Å; L573-T577 WeakPolarHBondContact O-CB 3.31Å; L573-T577 PolarHBondContact O-N 2.87Å; L573-T577 PolarHBondContact O-OG1 3.17Å
574Q89.6Confident83.7Confident73 Ų7372.2 Ų72.234%0.34136%0.358SS..Hα-helixtrans-63.7-45.1173.2-72.7172.6-9.600111.4I518 I570 H571 Y576 T577 Q578I518-Q574 HydrophobicContact CD1-CG 4Å; I570-Q574 HydrophobicContact CG2-CG 4.35Å; I570-Q574 WeakPolarHBondContact O-CB 3.38Å; I570-Q574 VanDerWaalsContact O-CG 3.32Å; I570-Q574 WeakPolarHBondContact O-CG 3.45Å; I570-Q574 PolarHBondContact O-N 3.09Å; H571-Q574 PolarHBondContact O-N 3.04Å; Q574-Y576 PolarHBondContact O-N 3.43Å; Q574-T577 WeakPolarHBondContact O-CB 3.38Å; Q574-T577 PolarHBondContact O-N 3.44Å; Q574-Q578 WeakPolarHBondContact O-CG 3.44Å; Q574-Q578 PolarHBondContact O-N 3.17Å
575M84.4Confident81.8Confident65 Ų6572.6 Ų72.632%0.3236%0.363SS..Hα-helixtrans-62.3-39.6174.2-70.9-66.5110.500112.5H571 G572 T577 K579H571-M575 VanDerWaalsContact CE1-CG 3.48Å; H571-M575 WeakPolarHBondContact CE1-CG 3.37Å; H571-M575 WeakPolarHBondContact O-CB 3.22Å; H571-M575 VanDerWaalsContact O-CG 3.23Å; H571-M575 WeakPolarHBondContact O-CG 3.46Å; H571-M575 PolarHBondContact O-N 3Å; G572-M575 PolarHBondContact O-N 2.94Å; M575-T577 VanDerWaalsContact C-N 3.33Å; M575-K579 WeakPolarHBondContact O-CB 3.38Å; M575-K579 WeakPolarHBondContact O-CG 3.43Å; M575-K579 PolarHBondContact O-N 2.87Å
576Y81.4Confident79.9Confident88 Ų8870.7 Ų70.735%0.34536%0.357SS..Hα-helixtrans-62.1-42.6174.1-174.6-90.9000111.5N507 Y509 I514 G572 L573 Q574 R580N507-Y576 PolarHBondContact ND2-OH 3.22Å; N507-Y576 VanDerWaalsContact ND2-OH 3.14Å; N507-Y576 PolarHBondContact OD1-OH 2.94Å; Y509-Y576 HydrophobicContact CD2-CE1 4.49Å; I514-Y576 HydrophobicContact CD1-CD1 3.86Å; I514-Y576 HydrophobicContact CD1-CE1 3.82Å; G572-Y576 PolarHBondContact O-N 3.05Å; L573-Y576 PolarHBondContact O-N 3.21Å; Q574-Y576 PolarHBondContact O-N 3.43Å; Y576-R580 PolarHBondContact O-N 2.77Å; Y576-R580 VanDerWaalsContact O-N 3.1Å
577T82.5Confident78Confident13 Ų1376.3 Ų76.38%0.0838%0.381CS..Hα-helixtrans-62.2-50.1177-54.20000111.2F511 I514 L573 Q574 M575 K579 R580 E581F511-T577 HydrophobicContact CD2-CG2 3.87Å; F511-T577 HydrophobicContact CE2-CG2 3.44Å; F511-T577 VanDerWaalsContact CE2-CG2 3.44Å; F511-T577 HydrophobicContact CZ-CG2 4.38Å; I514-T577 WeakPolarHBondContact CG2-OG1 3.41Å; L573-T577 WeakPolarHBondContact O-CB 3.31Å; L573-T577 PolarHBondContact O-N 2.87Å; L573-T577 PolarHBondContact O-OG1 3.17Å; Q574-T577 WeakPolarHBondContact O-CB 3.38Å; Q574-T577 PolarHBondContact O-N 3.44Å; M575-T577 VanDerWaalsContact C-N 3.33Å; T577-K579 PolarHBondContact O-N 2.95Å; T577-R580 WeakPolarHBondContact O-CB 3.4Å; T577-R580 PolarHBondContact O-N 2.95Å; T577-R580 VanDerWaalsContact O-N 3.09Å; T577-E581 PolarHBondContact O-N 2.92Å; T577-E581 VanDerWaalsContact O-N 3.11Å
578Q81.7Confident75.7Confident108 Ų10881.5 Ų81.551%0.50540%0.399SS..Hα-helixtrans-59.7-45.7178.5-71.51761.300112.5Q574 R580 E581 I582Q574-Q578 WeakPolarHBondContact O-CG 3.44Å; Q574-Q578 PolarHBondContact O-N 3.17Å; Q578-R580 PolarHBondContact O-N 3.12Å; Q578-E581 PolarHBondContact O-N 3.31Å; Q578-I582 WeakPolarHBondContact O-CG1 3.32Å; Q578-I582 PolarHBondContact O-N 2.99Å; Q578-I582 VanDerWaalsContact O-N 3.13Å
579K79.6Confident73.5Confident144 Ų14482.6 Ų82.663%0.62640%0.401SS*.Hα-helixtrans-58.3-35.6175-76.2180176.3-1740112.5M575 T577 L583M575-K579 WeakPolarHBondContact O-CB 3.38Å; M575-K579 WeakPolarHBondContact O-CG 3.43Å; M575-K579 PolarHBondContact O-N 2.87Å; T577-K579 PolarHBondContact O-N 2.95Å; K579-L583 WeakPolarHBondContact O-CB 3.41Å; K579-L583 WeakPolarHBondContact O-CG 3.32Å; K579-L583 PolarHBondContact O-N 3.46Å; K579-L583 VanDerWaalsContact O-N 3.11Å
580R72.6Confident71.3Confident51 Ų5185.5 Ų85.519%0.19242%0.418CS..Hα-helixtrans-70.5-38.3178.4-166.3-178.4-171.1171.36.7112.7N507 Y509 Y576 T577 Q578 L583 K584N507-R580 PolarHBondContact OD1-NH1 3.27Å; N507-R580 PolarHBondContact OD1-NH2 2.89Å; Y509-R580 PolarHBondContact O-NH1 3.47Å; Y509-R580 PolarHBondContact O-NH2 3.02Å; Y576-R580 PolarHBondContact O-N 2.77Å; Y576-R580 VanDerWaalsContact O-N 3.1Å; T577-R580 WeakPolarHBondContact O-CB 3.4Å; T577-R580 PolarHBondContact O-N 2.95Å; T577-R580 VanDerWaalsContact O-N 3.09Å; Q578-R580 PolarHBondContact O-N 3.12Å; R580-L583 PolarHBondContact O-N 3.06Å; R580-K584 PolarHBondContact O-N 3.28Å; R580-K584 VanDerWaalsContact O-N 3.15Å
581E70.4Confident68.9Low65 Ų6589.1 Ų89.130%0.30444%0.441SS..Hα-helixtrans-66.4-42.9175.4-59.5-47.9127.200111.3T577 Q578 L583 K584 S585T577-E581 PolarHBondContact O-N 2.92Å; T577-E581 VanDerWaalsContact O-N 3.11Å; Q578-E581 PolarHBondContact O-N 3.31Å; E581-L583 VanDerWaalsContact C-N 3.28Å; E581-L583 PolarHBondContact O-N 3.36Å; E581-K584 WeakPolarHBondContact O-CB 3.35Å; E581-K584 PolarHBondContact O-N 3.42Å; E581-K584 WeakPolarHBondContact OE1-CE 3.46Å; E581-K584 IonicContact OE1-NZ 2.85Å; E581-K584 PolarHBondContact OE1-NZ 3.03Å; E581-K584 WeakPolarHBondContact OE2-CE 3.46Å; E581-K584 IonicContact OE2-NZ 2.68Å; E581-K584 PolarHBondContact OE2-NZ 3.31Å; E581-S585 PolarHBondContact O-N 3.04Å; E581-S585 VanDerWaalsContact O-N 3.07Å; E581-S585 PolarHBondContact O-OG 3.3Å
582I70.9Confident66.4Low116 Ų11688 Ų8860%0.59545%0.445SS*.Hα-helixtrans-56-43.9173.5-64.1165.2000111.1Q578 K584 S585 S586Q578-I582 WeakPolarHBondContact O-CG1 3.32Å; Q578-I582 PolarHBondContact O-N 2.99Å; Q578-I582 VanDerWaalsContact O-N 3.13Å; I582-K584 VanDerWaalsContact C-N 3.27Å; I582-K584 PolarHBondContact O-N 2.84Å; I582-S585 PolarHBondContact O-N 3.25Å; I582-S586 PolarHBondContact O-N 2.87Å; I582-S586 VanDerWaalsContact O-N 3.15Å; I582-S586 PolarHBondContact O-OG 3.2Å
583L67.1Low63.7Low113 Ų11392.4 Ų92.459%0.59246%0.458SS*.Hα-helixtrans-68.6-15.9176.4-79.5165.3000114.7K579 R580 E581K579-L583 WeakPolarHBondContact O-CB 3.41Å; K579-L583 WeakPolarHBondContact O-CG 3.32Å; K579-L583 PolarHBondContact O-N 3.46Å; K579-L583 VanDerWaalsContact O-N 3.11Å; R580-L583 PolarHBondContact O-N 3.06Å; E581-L583 VanDerWaalsContact C-N 3.28Å; E581-L583 PolarHBondContact O-N 3.36Å
584K61.5Low61.1Low86 Ų8695 Ų9537%0.37448%0.479SS..Hα-helixtrans-81.2-50.6168-65.9179.3-156.3160.80110.2R580 E581 I582 S586 K587 Y588R580-K584 PolarHBondContact O-N 3.28Å; R580-K584 VanDerWaalsContact O-N 3.15Å; E581-K584 WeakPolarHBondContact O-CB 3.35Å; E581-K584 PolarHBondContact O-N 3.42Å; E581-K584 WeakPolarHBondContact OE1-CE 3.46Å; E581-K584 IonicContact OE1-NZ 2.85Å; E581-K584 PolarHBondContact OE1-NZ 3.03Å; E581-K584 WeakPolarHBondContact OE2-CE 3.46Å; E581-K584 IonicContact OE2-NZ 2.68Å; E581-K584 PolarHBondContact OE2-NZ 3.31Å; I582-K584 VanDerWaalsContact C-N 3.27Å; I582-K584 PolarHBondContact O-N 2.84Å; K584-S586 VanDerWaalsContact C-N 3.28Å; K584-S586 PolarHBondContact O-N 2.64Å; K584-K587 PolarHBondContact O-N 3.4Å; K584-Y588 WeakPolarHBondContact O-CD2 3.43Å; K584-Y588 PolarHBondContact O-N 3.29Å
585S52.8Low58.3Low71 Ų7198.5 Ų98.550%0.49750%0.5SS..Hα-helixtrans-52.5-48.4-178.4-57.70000111.3E581 I582 K587 Y588 E589E581-S585 PolarHBondContact O-N 3.04Å; E581-S585 VanDerWaalsContact O-N 3.07Å; E581-S585 PolarHBondContact O-OG 3.3Å; I582-S585 PolarHBondContact O-N 3.25Å; S585-K587 PolarHBondContact O-N 3.34Å; S585-K587 VanDerWaalsContact O-N 3.09Å; S585-Y588 PolarHBondContact O-N 3.48Å; S585-Y588 VanDerWaalsContact O-N 3.09Å; S585-E589 PolarHBondContact O-N 3.36Å
586S52.7Low55.7Low48 Ų4899.6 Ų99.634%0.33651%0.514SS..Hα-helixtrans-65.3-13.8179.169.30000114.8I582 K584 N590I582-S586 PolarHBondContact O-N 2.87Å; I582-S586 VanDerWaalsContact O-N 3.15Å; I582-S586 PolarHBondContact O-OG 3.2Å; K584-S586 VanDerWaalsContact C-N 3.28Å; K584-S586 PolarHBondContact O-N 2.64Å; S586-N590 PolarHBondContact O-ND2 3.45Å
587K53.9Low53.4Low124 Ų124101.8 Ų101.854%0.53953%0.532SS..Hα-helixtrans-89.5-32.1172.5-76.2-166.5173.3-165.30112.7K584 S585 T591K584-K587 PolarHBondContact O-N 3.4Å; S585-K587 PolarHBondContact O-N 3.34Å; S585-K587 VanDerWaalsContact O-N 3.09Å; K587-T591 PolarHBondContact O-OG1 3.33Å
588Y46.9Very low51.2Low178 Ų178107.7 Ų107.770%0.69856%0.559SS**Hα-helixtrans-73-42.1176.7-79.9-81000112K584 S585 N590 T591 S592K584-Y588 WeakPolarHBondContact O-CD2 3.43Å; K584-Y588 PolarHBondContact O-N 3.29Å; S585-Y588 PolarHBondContact O-N 3.48Å; S585-Y588 VanDerWaalsContact O-N 3.09Å; Y588-N590 VanDerWaalsContact C-N 3.3Å; Y588-N590 PolarHBondContact O-N 3.31Å; Y588-T591 PolarHBondContact O-N 2.9Å; Y588-T591 VanDerWaalsContact O-N 3.11Å; Y588-T591 PolarHBondContact O-OG1 2.93Å; Y588-T591 VanDerWaalsContact O-OG1 3.11Å; Y588-S592 PolarHBondContact O-N 3.06Å
589E44Very low48.9Very low127 Ų127112 Ų11259%0.59357%0.572SS**Hα-helixtrans-60.7-37.9176-67.4175.7127.500112.5S585 T591 S592 I593S585-E589 PolarHBondContact O-N 3.36Å; E589-T591 VanDerWaalsContact C-N 3.25Å; E589-T591 PolarHBondContact O-N 3.36Å; E589-S592 PolarHBondContact O-OG 3.05Å; E589-I593 VanDerWaalsContact O-CD1 3.29Å; E589-I593 WeakPolarHBondContact O-CD1 3.36Å; E589-I593 WeakPolarHBondContact O-CG1 3.2Å
590N42.3Very low46.5Very low121 Ų121110.3 Ų110.365%0.64758%0.578SS**Hα-helixtrans-78.82.9178.1-76.3-68.5000114.8S586 Y588S586-N590 PolarHBondContact O-ND2 3.45Å; Y588-N590 VanDerWaalsContact C-N 3.3Å; Y588-N590 PolarHBondContact O-N 3.31Å
591T42.4Very low44.6Very low88 Ų88113.3 Ų113.354%0.5460%0.602SS.*Hα-helixtrans-118.4-16.3177.746.10000114.5K587 Y588 E589K587-T591 PolarHBondContact O-OG1 3.33Å; Y588-T591 PolarHBondContact O-N 2.9Å; Y588-T591 VanDerWaalsContact O-N 3.11Å; Y588-T591 PolarHBondContact O-OG1 2.93Å; Y588-T591 VanDerWaalsContact O-OG1 3.11Å; E589-T591 VanDerWaalsContact C-N 3.25Å; E589-T591 PolarHBondContact O-N 3.36Å
592S37.6Very low42.7Very low81 Ų81117 Ų11757%0.56662%0.623SS**Hα-helixtrans-78-30168.552.50000113.2Y588 E589 C594Y588-S592 PolarHBondContact O-N 3.06Å; E589-S592 PolarHBondContact O-OG 3.05Å; S592-C594 VanDerWaalsContact C-N 3.26Å; S592-C594 PolarHBondContact O-N 2.87Å
593I34.4Very low41.1Very low130 Ų130120.5 Ų120.567%0.66764%0.637SS**THydrogen-bonded Turntrans-74.4-7.2-171.7-65.8172.2000114E589E589-I593 VanDerWaalsContact O-CD1 3.29Å; E589-I593 WeakPolarHBondContact O-CD1 3.36Å; E589-I593 WeakPolarHBondContact O-CG1 3.2Å
594C34Very low39.4Very low104 Ų104119.4 Ų119.470%0.70364%0.639SS**THydrogen-bonded Turntrans-114.613.1-179.8-60.90000115S592S592-C594 VanDerWaalsContact C-N 3.26Å; S592-C594 PolarHBondContact O-N 2.87Å
595N31.9Very low37.9Very low148 Ų148122.3 Ų122.379%0.79166%0.658SS**SBendtrans-131.834.2179.4-71.6-69.4000113.6
596S29.1Very low37Very low87 Ų87126.2 Ų126.261%0.60867%0.672SS**  trans-133.3120.1153.8-178.60000106.9
597D33.8Very low35.8Very low135 Ų135132.6 Ų132.672%0.72269%0.694SS**  171.5124.8124.9-861.3000112.9
598H36Very low34.8Very low137 Ų137133.7 Ų133.763%0.63471%0.711SS**  trans72.5122.1144.4-79.6-82.9000123.3
599Y32.5Very low34Very low199 Ų199129.7 Ų129.778%0.7871%0.709SS**  trans63.5120.3164.2-51.1-70.5000117.9
600S30.2Very low33.4Very low108 Ų108129.2 Ų129.276%0.75572%0.72SS**  cis80.8133.928.1-160.80000116.5
601T33.1Very low32.9Very low113 Ų113128.3 Ų128.369%0.69372%0.723SS**  trans92.381.7170.8-38.60000118.6
602N30.5Very low32.5Very low142 Ų142128.7 Ų128.776%0.75973%0.729SS**  42.5146.8122.2-58.4-41.8000123.1
603Q35.8Very low32.2Very low190 Ų190132.6 Ų132.689%0.88874%0.743SS**  trans80.6146160.5-48.7-160.646.900117.4
604S31.7Very low32.2Very low90 Ų90131.4 Ų131.463%0.62975%0.746SS**  cis-166138.9-26.1-168.90000112.1
605L30Very low32Very low148 Ų148131.9 Ų131.978%0.77575%0.751SS**  trans58.9142.6147.8-77172.4000124.2
606L33.4Very low32.4Very low152 Ų152130.2 Ų130.280%0.79675%0.748SS**  trans67.5120.9155.5-61.5160.4000118.1
607K28.4Very low32.6Very low183 Ų183133.9 Ų133.980%0.79676%0.76SS**  cis81.788.720.6-163.6-159.7173.4-173.80117.1
608V32.8Very low32.5Very low147 Ų147132.1 Ų132.189%0.89176%0.758SS**  trans-141.4155.9145.2-172.60000108.2
609S29.6Very low32.3Very low94 Ų94130.4 Ų130.466%0.65776%0.761SS**  trans-129.5170.6-173.1-53.20000112.8
610S32.4Very low32.1Very low116 Ų116126.8 Ų126.881%0.81176%0.764SS**  trans64.6155.1175.6680000115
611S31.7Very low32Very low103 Ų103127.1 Ų127.172%0.7277%0.766SS**  cis-1651672.110.20000107.6
612S33.1Very low32.1Very low95 Ų95127 Ų12766%0.66477%0.767SS**  cis-177168.6-13.551.10000108.4
613L32Very low32Very low163 Ų163125 Ų12585%0.85377%0.765SS**  trans68.9157.9172.6-57.5155.8000114.5
614S35.2Very low31.6Very low105 Ų105121.5 Ų121.573%0.73476%0.761SS**  cis-163.2142.8-22.5460000109.9
615S29.1Very low31.8Very low115 Ų115122.4 Ų122.480%0.80477%0.767SS**  trans-76.6-179.2170.3-20.30000112.1
616P39Very low31.9Very low113 Ų113122 Ų12273%0.73477%0.765SS**  cis-129.7-173.4-17.841.1-26000112.4
617L33.9Very low31.9Very low163 Ų163122 Ų12285%0.85377%0.765SS**  trans-175.9156.1130-101.4160.3000113.4
618S31.9Very low31.9Very low98 Ų98118.1 Ų118.169%0.68576%0.761SS**  trans-63.9155.3178.553.90000113.4
619S31.3Very low31.9Very low101 Ų101121.6 Ų121.671%0.70676%0.758SS**  -179.5172.657.550.60000112.8
620C29Very low32Very low124 Ų124121.8 Ų121.884%0.83875%0.749SS**  trans64.2106.8160.5-60.70000120.2
621S27.3Very low32Very low114 Ų114124.9 Ų124.980%0.79774%0.743SS**  trans-66.9176.4151.5-36.70000111.4
622P36Very low32Very low111 Ų111129.6 Ų129.672%0.72175%0.745SS**  cis-136-166.6441.6-22.4000115.2
623S28.2Very low31.8Very low101 Ų101129 Ų12971%0.70674%0.74SS**  trans77103.6155.5-58.10000120.1
624S28.5Very low31.8Very low115 Ų115128.3 Ų128.380%0.80474%0.736SS**  trans49.480.9137.562.30000119.3
625S35.6Very low31.4Very low109 Ų109128.9 Ų128.976%0.76273%0.731SS**  trans-119.7112.1148.850.70000108.2
626L32.1Very low31.4Very low141 Ų141131.3 Ų131.374%0.73873%0.73SS**  67.3113.978.4-70.8171.6000113.4
627L31.9Very low31Very low150 Ų150130.9 Ų130.979%0.78573%0.729SS**  trans63.2142.2136.1-55177.1000117.3
628S29.5Very low30.6Very low103 Ų103129.2 Ų129.272%0.7273%0.726SS**  cis-169.5-161.62.4-127.80000108.3
629R32.9Very low30.6Very low219 Ų219132.5 Ų132.583%0.82674%0.736SS**  trans86.2123.3147.3-155.7168.6-159.9176.65.3115.8
630E32Very low30.4Very low99 Ų99136.4 Ų136.446%0.46374%0.743SS.*  cis-152.8151-9-127.1179113.600110.5
631R31.4Very low30.3Very low181 Ų181138.7 Ų138.768%0.68375%0.745SS**  trans26.7138.5131.6-68.2179.2-165.6154.4-13.4118.2
632R32.1Very low30.5Very low201 Ų201138.2 Ų138.276%0.75874%0.74SS**  cis-177.2171.922-111.4178.8-70.4-157.6-4.6106
633S28Very low30.1Very low82 Ų82137.8 Ų137.857%0.57374%0.739SS**  cis-177.5179.6-3.442.70000108.6
634I32.3Very low30.3Very low149 Ų149142 Ų14276%0.76475%0.745SS**  trans75.5146.5162-57.3153.1000114.4
635D28.3Very low30.5Very low118 Ų118142.8 Ų142.863%0.63174%0.738SS**  cis-177.8155.7-47.1-115.6-65.7000107.9
636Q27.3Very low30.2Very low166 Ų166144.5 Ų144.578%0.77674%0.739SS**  trans36.4101.3149.9-65.2157.757.200120.7
637S31Very low30.1Very low104 Ų104144.6 Ų144.673%0.72774%0.739SS**  -174.6114.7124.7270000108.9
638T26.5Very low30.1Very low128 Ų128145.8 Ų145.879%0.78575%0.745SS**  46.28873.268.10000114.1
639N31.3Very low30.1Very low166 Ų166149.4 Ų149.489%0.88875%0.748SS**  trans-151.4123.4137.1-94.9-35.3000109.3
640E27.4Very low29.9Very low184 Ų184146.1 Ų146.186%0.8674%0.739SS**  trans-75.2149.6164.6-53.2168.5129.100108.6
641I27Very low29.7Very low172 Ų172151.9 Ų151.988%0.88276%0.758SS**  trans178.9147.8141.4-97.1154.9000109.1
642P30.7Very low29.5Very low104 Ų104147.7 Ų147.768%0.67576%0.757SS**  trans-123.6-172.6-139.642.3-30.5000115.4
643S28.1Very low29.4Very low102 Ų102143.9 Ų143.971%0.71375%0.748SS**  trans71.4112.9152.4-61.30000118.9
644K33Very low29.4Very low190 Ų190149.4 Ų149.483%0.82676%0.761SS**  -162.8114.2106.5-101.5151.7-173.6173.50113.9
645I32Very low29.1Very low130 Ų130148.1 Ų148.167%0.66776%0.761SS**  trans37.9109.3133.9-45.6172.4000116.1I647I645-I647 HydrophobicContact CG2-CD1 4.19Å; I645-I647 HydrophobicContact CG2-CG1 3.54Å
646N29.6Very low29.2Very low146 Ų146148.7 Ų148.778%0.78176%0.764SS**  cis68.548.942.8-155.512.4000116
647I30.5Very low29.2Very low143 Ų143149.7 Ų149.773%0.73377%0.768SS**  trans-118.660.9166.5-38.8-173000112I645I645-I647 HydrophobicContact CG2-CD1 4.19Å; I645-I647 HydrophobicContact CG2-CG1 3.54Å
648L31.1Very low28.9Very low175 Ų175149.4 Ų149.492%0.91677%0.766SS**SBendtrans-129.514165.9-98.3169.4000112.6
649K28.7Very low28.9Very low179 Ų179148.5 Ų148.578%0.77877%0.765SS**SBendtrans-149.633.5-170.4-139.4171.3-175.5177.30116.7
650K28.9Very low28.7Very low149 Ų149146.6 Ų146.665%0.64875%0.753SS**  trans-149.5142155.3-82.5-166.3174.2-147.70105.1E653K650-E653 IonicContact NZ-OE1 2.76Å; K650-E653 PolarHBondContact NZ-OE1 3.48Å
651Y27.7Very low28.6Very low220 Ų220144 Ų14486%0.86375%0.75SS**  cis-94.4123.620.9-68.5-100.3000114.1
652S29Very low28.7Very low93 Ų93143.7 Ų143.765%0.6575%0.745SS**  trans-139.843.4165.366.20000110.8
653E28.8Very low28.5Very low121 Ų121144 Ų14457%0.56575%0.75SS**  trans-92.5113.5164.8-74.4152.5-163.200105.5K650K650-E653 IonicContact NZ-OE1 2.76Å; K650-E653 PolarHBondContact NZ-OE1 3.48Å
654K28Very low28.5Very low198 Ų198143.7 Ų143.786%0.86175%0.747SS**  52.854.553-75.2-165.2170.8-173.70113.2
655V26.8Very low28.2Very low123 Ų123141.2 Ų141.275%0.74575%0.748SS**  trans-118.6103.3147.3-176.20000108.6
656N29.4Very low28Very low130 Ų130143.9 Ų143.970%0.69576%0.755SS**  trans31.6107.7155.2-51.8-19.6000116.9
657H26.6Very low28Very low186 Ų186144.4 Ų144.486%0.86176%0.757SS**  39.472.360.6-66-73.7000114.2
658S26.6Very low27.9Very low98 Ų98144.8 Ų144.869%0.68576%0.76SS**  trans-137.368.2151.952.30000110.4I660S658-I660 PolarHBondContact O-N 3.24Å
659S26.1Very low27.8Very low110 Ų110144 Ų14477%0.76976%0.756SS**  trans-65.896.1168.448.70000110.1
660I26.1Very low27.7Very low126 Ų126144.4 Ų144.465%0.64676%0.758SS**  trans-107.283.6174.7-58.7-175.7000109.6S658 H662S658-I660 PolarHBondContact O-N 3.24Å; I660-H662 HydrophobicContact CG2-CB 4.24Å; I660-H662 WeakPolarHBondContact CG2-CD2 3.35Å; I660-H662 PolarHBondContact O-N 2.85Å
661T26.6Very low27.7Very low130 Ų130144.5 Ų144.580%0.79876%0.762SS**  trans-80.682.3160.944.90000109.3S663T661-S663 PolarHBondContact O-N 3.09Å
662H28.3Very low27.7Very low164 Ų164142.8 Ų142.876%0.75976%0.762SS**  trans-8591.2171.5-95.3-47.8000111.9I660I660-H662 HydrophobicContact CG2-CB 4.24Å; I660-H662 WeakPolarHBondContact CG2-CD2 3.35Å; I660-H662 PolarHBondContact O-N 2.85Å
663S26.6Very low27.7Very low112 Ų112146.5 Ų146.578%0.78377%0.767SS**  trans-88.191.8161.252.70000110.6T661T661-S663 PolarHBondContact O-N 3.09Å
664S28.4Very low27.6Very low95 Ų95146.4 Ų146.466%0.66477%0.77SS**  trans-175.572.7164.355.40000114.9
665V26.8Very low27.8Very low137 Ų137143.4 Ų143.483%0.8377%0.768SS**  trans-145.774.9144.3-165.80000109.8
666K28.3Very low27.9Very low187 Ų187144.2 Ų144.281%0.81377%0.768SS**  trans-101.2170.3135.7-84-173.1173.3-176.40106.9
667D29.3Very low27.9Very low157 Ų157145.7 Ų145.784%0.8478%0.776SS**  trans68.270171.8-48.2-26.2000115.4
668L28.3Very low28Very low150 Ų150141.3 Ų141.379%0.78577%0.772SS**  trans-138.8126145.4-106.6153.7000109.6
669L28.9Very low28.2Very low159 Ų159145.8 Ų145.883%0.83278%0.779SS**  trans67.487.2166.7-57.3174.5000117.9
670F26.6Very low28.1Very low187 Ų187149.1 Ų149.182%0.8279%0.786SS**  trans-49175.9138.5-104.3-107.6000113.3
671M29.1Very low28.2Very low151 Ų151150.6 Ų150.674%0.74480%0.795SS**  trans86.2128.4-176.7-53.4-63.2105.500113
672Q27.6Very low28.2Very low184 Ų184155.4 Ų155.486%0.8680%0.798SS**  cis-146.4168.6-0.4-162.7160.8-10.800111.6
673K27.8Very low28Very low172 Ų172153.1 Ų153.175%0.74880%0.798SS**  trans-77.8152.3-169.8-98.7176.5149.7-109.20115.9
674D27.5Very low27.9Very low119 Ų119153.9 Ų153.964%0.63680%0.798SS**  trans44.5104.4136.3-46.7-24.8000120.7
675V31.2Very low27.7Very low134 Ų134155.6 Ų155.681%0.81280%0.798SS**  trans-141.9104.7140.8-176.70000111.8
676N30.9Very low27.6Very low140 Ų140152.6 Ų152.675%0.74978%0.783SS**  trans34.4124.1142.7-57.4-23.3000123.1
677N28.5Very low27.4Very low161 Ų161154 Ų15486%0.86179%0.785SS**  trans30.2107.7131.5-68.6-23.2000120
678A28.1Very low27.4Very low94 Ų94152.7 Ų152.778%0.77777%0.774SS**  -178.2155.9116.100000113.8
679K30.4Very low27.3Very low193 Ų193151 Ų15184%0.83978%0.775SS**  trans60.6106.4164.8-67.1176.1-176.1172.40117.5L681K679-L681 PolarHBondContact O-N 3.17Å
680I24.9Very low27.2Very low179 Ų179148.9 Ų148.992%0.91876%0.764SS**  trans-57.7102.4164.5-59166000109.9
681L28.9Very low27.2Very low157 Ų157149.2 Ų149.282%0.82277%0.768SS**  trans-94.7137.8166.8-82.8165.7000110K679K679-L681 PolarHBondContact O-N 3.17Å
682R24.8Very low27.1Very low231 Ų231152 Ų15287%0.87277%0.77SS**  trans-66.5135.6-174.3-64.2175.2178.4166.4-0.1110.3V684R682-V684 PolarHBondContact O-N 3.45Å
683P24.9Very low27.1Very low116 Ų116150 Ų15075%0.75377%0.766SS**  trans-65103164.627.3-32.5000108.8I685P683-I685 PolarHBondContact O-N 2.92Å
684V24.7Very low27.2Very low129 Ų129148 Ų14878%0.78276%0.762SS**  trans-68.4100.5164.1176.30000106.1R682 S686R682-V684 PolarHBondContact O-N 3.45Å; V684-S686 PolarHBondContact O-N 2.98Å
685I25Very low27Very low131 Ų131147.8 Ų147.867%0.67277%0.767SS**  trans-72.776.4172-53.4-179.9000107.9P683 Y687P683-I685 PolarHBondContact O-N 2.92Å; I685-Y687 HydrophobicContact CG2-CD2 3.87Å; I685-Y687 HydrophobicContact CG2-CE2 3.71Å; I685-Y687 PolarHBondContact O-N 3.49Å
686S23.5Very low26.9Very low73 Ų73148.4 Ų148.451%0.5176%0.761SS.*  trans-64.3109.2157.5-176.90000106.8V684 H688V684-S686 PolarHBondContact O-N 2.98Å; S686-H688 PolarHBondContact O-N 3.41Å
687Y25.1Very low26.6Very low216 Ų216147.8 Ų147.885%0.84776%0.763SS**  trans-71.290.2163.5-92.3-83.7000107.4I685 S689I685-Y687 HydrophobicContact CG2-CD2 3.87Å; I685-Y687 HydrophobicContact CG2-CE2 3.71Å; I685-Y687 PolarHBondContact O-N 3.49Å; Y687-S689 PolarHBondContact O-N 2.9Å
688H27.7Very low26.5Very low131 Ų131144.6 Ų144.661%0.60675%0.753SS**  trans-50124.9177-87.3-102.8000110.8S686 N690S686-H688 PolarHBondContact O-N 3.41Å; H688-N690 HydrophobicContact CB-CB 4.34Å; H688-N690 WeakPolarHBondContact CB-OD1 3.28Å; H688-N690 PolarHBondContact O-N 3.43Å
689S26.6Very low26.4Very low115 Ų115147.4 Ų147.480%0.80475%0.754SS**  trans-66.772.7150.653.10000108.6Y687 Q691Y687-S689 PolarHBondContact O-N 2.9Å; S689-Q691 PolarHBondContact O-N 3.29Å
690N28.1Very low26.3Very low114 Ų114146.4 Ų146.461%0.6175%0.752SS**  trans-69.693.6179.8-91.8-21.7000109.7H688 R692H688-N690 HydrophobicContact CB-CB 4.34Å; H688-N690 WeakPolarHBondContact CB-OD1 3.28Å; H688-N690 PolarHBondContact O-N 3.43Å; N690-R692 PolarHBondContact O-N 3.02Å
691Q26.6Very low26.3Very low193 Ų193146.1 Ų146.190%0.90275%0.747SS**  trans-63.9100.8164.1-70.9-179.4-14.500108.9S689S689-Q691 PolarHBondContact O-N 3.29Å
692R26.7Very low26.2Very low211 Ų211144.5 Ų144.580%0.79674%0.744SS**  trans-141120.6164.4-78.2-170.4-175.4176.80.4105.9N690N690-R692 PolarHBondContact O-N 3.02Å
693N28.3Very low26.3Very low142 Ų142141.1 Ų141.176%0.75974%0.738SS**  cis-134.3169.26.2-70-36000111.9
694L29.3Very low26.4Very low128 Ų128141.8 Ų141.867%0.6773%0.734SS**  trans-49.3150.2151.3-84.463.1000109.8Q696L694-Q696 HydrophobicContact CD2-CB 4.05Å; L694-Q696 HydrophobicContact CG-CB 4.05Å; L694-Q696 HydrophobicContact CG-CG 4.36Å
695P23.9Very low26.7Very low115 Ų115141.4 Ų141.475%0.74773%0.728SS**  -108.3105.672.432.6-34.9000114.4T697P695-T697 VanDerWaalsContact C-N 3.33Å; P695-T697 PolarHBondContact O-N 3.13Å
696Q27.4Very low26.8Very low148 Ų148141.6 Ų141.669%0.69273%0.73SS**  trans-88.876.9145.7-77.4-175.8-51.800108.2L694 S698L694-Q696 HydrophobicContact CD2-CB 4.05Å; L694-Q696 HydrophobicContact CG-CB 4.05Å; L694-Q696 HydrophobicContact CG-CG 4.36Å; Q696-S698 PolarHBondContact O-N 3.32Å
697T26.3Very low27.1Very low127 Ų127143.6 Ų143.678%0.77974%0.739SS**  trans-86.459.1160.5480000109.1P695 L699P695-T697 VanDerWaalsContact C-N 3.33Å; P695-T697 PolarHBondContact O-N 3.13Å; T697-L699 VanDerWaalsContact C-N 3.27Å; T697-L699 PolarHBondContact O-N 2.86Å
698S25Very low27.5Very low93 Ų93141.9 Ų141.965%0.6574%0.736SS**  trans-94.455.5171.457.80000110.6Q696Q696-S698 PolarHBondContact O-N 3.32Å
699L26.9Very low27.5Very low153 Ų153141.4 Ų141.480%0.80174%0.743SS**  trans-128.2102.9159-77.5167.2000103.5T697T697-L699 VanDerWaalsContact C-N 3.27Å; T697-L699 PolarHBondContact O-N 2.86Å
700Q28.2Very low27.7Very low172 Ų172141.2 Ų141.280%0.80474%0.739SS**  35.282.179.1-71.8-164.8-11.400111.3
701H25.1Very low27.7Very low174 Ų174141.6 Ų141.681%0.80674%0.741SS**  23.7141.4116.8-82.7-94.7000117.5
702T26.1Very low27.9Very low123 Ų123139.6 Ų139.676%0.75574%0.735SS**  trans67.5134.5168.524.70000114.4
703Q27.5Very low27.9Very low159 Ų159135.7 Ų135.774%0.74373%0.73SS**  cis-133.2150.113.4-65.9-170.32.800113.5
704L26.2Very low27.9Very low131 Ų131136.7 Ų136.769%0.68673%0.729SS**  26.2123.9127-45.9165.7000116
705N30.9Very low27.9Very low121 Ų121138.5 Ų138.565%0.64773%0.733SS**  -173.6151.869-94.2-66.3000112.5
706N27.1Very low28Very low134 Ų134137 Ų13772%0.71773%0.731SS**  trans48.2130.1135.7-55.5-21.4000119.7
707T30.9Very low28Very low115 Ų115136.3 Ų136.371%0.70673%0.731SS**  cis-163.2161.433.3-12.50000113.1
708K32.2Very low28.1Very low180 Ų180138.4 Ų138.478%0.78373%0.729SS**  trans7082.1150.4-72.8165.4-176.2-179.70118.7
709T27.3Very low28.3Very low121 Ų121141.1 Ų141.174%0.74274%0.736SS**  -3.1153.8105.336.20000117.6
710P31.6Very low28.4Very low111 Ų111138.7 Ų138.772%0.72173%0.732SS**  cis-147.3165.44342.5-23.1000120.2
711N27.4Very low28.3Very low123 Ų123135.7 Ų135.766%0.65873%0.73SS**  trans28130.2138.9-51.6-7.2000121
712L31.9Very low28.6Very low150 Ų150133 Ų13379%0.78573%0.727SS**  -169.211395.5-92152.8000106.8F714L712-F714 HydrophobicContact CD2-CD2 4.47Å; L712-F714 HydrophobicContact CD2-CE2 4.35Å
713N26.6Very low28.5Very low129 Ų129131.7 Ų131.769%0.6972%0.723SS**  41.8111.167.1-77.711.8000113.4
714F28.9Very low28.5Very low164 Ų164130.8 Ų130.872%0.71973%0.728SS**  -143.5137.394.7-100.5-92.9000106.9L712L712-F714 HydrophobicContact CD2-CD2 4.47Å; L712-F714 HydrophobicContact CD2-CE2 4.35Å
715E27.4Very low28.4Very low165 Ų165129.1 Ų129.177%0.77173%0.728SS**  39.1132.1104.6-47-170.8163.700113.7
716A27.3Very low28.2Very low84 Ų84127.1 Ų127.169%0.69472%0.724SS**  177.916158.900000107.4
717L27.8Very low28.2Very low133 Ų133128.3 Ų128.370%0.69672%0.722SS**  cis-163.1156.13.6-112.6164.5000107.9
718K27.7Very low28Very low171 Ų171130.6 Ų130.674%0.74372%0.723SS**  trans29.5127.7139.3-80.4179.9-151.3160.40118.6
719L28.6Very low27.8Very low151 Ų151130.9 Ų130.979%0.79172%0.719SS**  cis-177.3169.138.2-88.7142000106.7
720S29.6Very low27.9Very low102 Ų102132.2 Ų132.271%0.71372%0.717SS**  cis-164.8139.7-9.941.40000110.6
721S25.8Very low27.9Very low108 Ų108129.9 Ų129.976%0.75571%0.713SS**  trans-83.4-173.5156.855.10000110.6
722P31.5Very low28.1Very low117 Ų117130.6 Ų130.676%0.7672%0.717SS**  cis-110.7-136.2-9.532.2-9.2000109.7
723S25.1Very low28.3Very low96 Ų96133.2 Ų133.267%0.67172%0.722SS**  cis-161.6139.7417.90000108.4
724V26.6Very low28.4Very low140 Ų140132.5 Ų132.585%0.84872%0.716SS**  65102.670.1-179.90000115.2
725S24.7Very low28.4Very low97 Ų97132.2 Ų132.268%0.67872%0.717SS**  trans179.5126.3140.2-172.20000108.6
726S25.8Very low28.6Very low79 Ų79129.8 Ų129.855%0.55271%0.71SS**  68.4133.153.4104.20000112.5
727K28.5Very low28.9Very low158 Ų158131.6 Ų131.669%0.68771%0.708SS**  cis-137.3-167.37.1-70106.5178.9156.90109.1
728F25.9Very low29.1Very low163 Ų163129.8 Ų129.872%0.71571%0.706SS**  cis-177.1144.242.2-111.6-41.1000115.2
729R28.8Very low29.2Very low187 Ų187126.4 Ų126.471%0.70670%0.7SS**  trans66.1149.5137.8-85.5174.3-172-120.712.1120.6
730Q29.6Very low29.3Very low148 Ų148127.8 Ų127.869%0.69270%0.702SS**  cis-162132.7-10.8-158.6161.5-9.300114.7
731G31.1Very low29.1Very low62 Ų62126.4 Ų126.464%0.63970%0.698SS**  trans71.8176.6146.800000119.8
732N31.1Very low29.1Very low139 Ų139128.9 Ų128.974%0.74370%0.697SS**  cis-168126-21.4-122.721.6000111.4
733K35.3Very low28.8Very low205 Ų205131.3 Ų131.389%0.89170%0.698SS**  trans178.4149.2153.9-105.9168-175.8-177.60110.2
734I28.8Very low28.8Very low113 Ų113130.6 Ų130.658%0.57970%0.698SS**  cis166.9117.1-49.8-89.6167.2000106.2
735Q29.9Very low28.5Very low158 Ų158131.6 Ų131.674%0.73870%0.697SS**  trans61.5151.8156.5-65.3-177-92.900118.3
736D32.3Very low28.5Very low114 Ų114132.2 Ų132.261%0.6170%0.697SS**  cis-168.4167.9-8.1-107.5-1.6000107.3
737N33Very low29Very low123 Ų123134.3 Ų134.366%0.65871%0.708SS**  cis-153.4-160.9-5.1-135.5-48.5000106.1
738S31.7Very low28.7Very low95 Ų95133.2 Ų133.266%0.66471%0.709SS**  cis-170.6162.3-8.344.10000106
739T29.9Very low28.7Very low100 Ų100133.1 Ų133.161%0.61371%0.708SS**  cis-163.9151-14.721.60000107.1
740E29.5Very low28.5Very low179 Ų179130.7 Ų130.784%0.83671%0.705SS**  trans59.7162.3143.9-66.6170.5146.200120.8
741A26.6Very low28.2Very low74 Ų74128.8 Ų128.861%0.61270%0.703SS**  cis-164.4156.1-31.200000111.1
742Q25.7Very low27.9Very low159 Ų159131.6 Ų131.674%0.74371%0.709SS**  trans61130.4143.2-76.1-177.163.500123.4
743Q25.7Very low27.6Very low169 Ų169131.6 Ų131.679%0.7971%0.708SS**  trans80136.5138.4-69.7-173.662.300123.2
744A23.4Very low27.1Very low80 Ų80126.8 Ų126.866%0.66170%0.696SS**  trans85.8111.213500000124.4
745I22.1Very low27Very low161 Ų161127 Ų12783%0.82670%0.703SS**  50.6145.1128.7-29.7176.3000121.7
746V23.6Very low26.9Very low111 Ų111124.1 Ų124.167%0.67369%0.692SS**  trans95.1123.9157.9-169.70000117.6L748V746-L748 HydrophobicContact CG1-CD1 3.83Å
747P35.9Very low26.7Very low122 Ų122126.5 Ų126.579%0.79270%0.697SS**  trans-110.5128.1162.836.2-25.7000113.7
748L23.3Very low26.7Very low135 Ų135127 Ų12771%0.70770%0.7SS**  trans-137.8140.7152.9-79.6102.2000106.3V746V746-L748 HydrophobicContact CG1-CD1 3.83Å
749K25.6Very low26.6Very low162 Ų162128.9 Ų128.970%0.70470%0.703SS**  cis73.4132.543.5-156.4-151.2178.2-151.30111.2
750E23.7Very low26.7Very low136 Ų136127.1 Ų127.164%0.63670%0.704SS**  trans68.9151.1177.6-66.5161.3-147.100113.4
751T24.6Very low26.8Very low107 Ų107128 Ų12866%0.65671%0.709SS**  cis-160.6145.2-8.59.90000111.3
752T23.9Very low27Very low122 Ų122129.5 Ų129.575%0.74872%0.715SS**  trans59.9-171.5134.3-47.90000118.7
753L25Very low27.4Very low139 Ų139128 Ų12873%0.72871%0.712SS**  trans7995.5172.3-55.4176.9000113.8
754T24.8Very low27.7Very low103 Ų103124.4 Ų124.463%0.63270%0.698SS**  72.9149.180.763.50000111.2
755T27.7Very low28.2Very low119 Ų119127.6 Ų127.673%0.7370%0.704SS**  cis-153.2171.440.852.20000111.3
756D26.6Very low28.6Very low96 Ų96127.9 Ų127.951%0.51370%0.696SS.*  cis-171.9172.8-27.9-83.1-25000107.1
757F27.3Very low29Very low164 Ų164129.2 Ų129.272%0.71970%0.695SS**  trans66.4142161.4-53.6-59.1000118.3
758D33.5Very low28.7Very low134 Ų134128.7 Ų128.772%0.71769%0.685SS**  cis-128.8148.8-0.3-84.2-52.9000109.4
759N29.4Very low29Very low135 Ų135129.7 Ų129.772%0.72269%0.69SS**  cis80.1139.849.1-66.6-32.4000115.2
760G32.3Very low29.1Very low63 Ų63127.8 Ų127.865%0.64970%0.698SS**  trans99.298.9-169.100000111.3
761E31.6Very low29.4Very low198 Ų198129.4 Ų129.493%0.92571%0.705SS**  56.3127.263.3-50.7-175.8144.800111
762S31Very low29.6Very low105 Ų105133.7 Ų133.773%0.73471%0.71SS**  cis-158.8-172.111.560.70000108.8
763D34.2Very low29.9Very low128 Ų128135 Ų13568%0.68471%0.708SS**  cis-159.4151.28.5-135.93.3000112.5
764N32.5Very low30.3Very low92 Ų92135.1 Ų135.149%0.49271%0.705SS.*  trans25118.9150-53.4-37.9000122.7Y766N764-Y766 HydrophobicContact CB-CD2 4.29Å; N764-Y766 HydrophobicContact CB-CE2 4.47Å; N764-Y766 WeakPolarHBondContact OD1-CE2 3.18Å
765N34.7Very low30.4Very low148 Ų148135.6 Ų135.679%0.79170%0.7SS**  -168.1121.892.5-86.9-46.2000109.5
766Y29.9Very low30.5Very low167 Ų167139.2 Ų139.266%0.65570%0.7SS**  68.6130.569.7-80.2-113.8000113N764N764-Y766 HydrophobicContact CB-CD2 4.29Å; N764-Y766 HydrophobicContact CB-CE2 4.47Å; N764-Y766 WeakPolarHBondContact OD1-CE2 3.18Å
767E32.1Very low30.8Very low139 Ų139140.2 Ų140.265%0.6571%0.705SS**  cis-161.2165.8-5.5-136.8-168.3152.400114.3
768N30Very low30.9Very low110 Ų110138.4 Ų138.459%0.58870%0.703SS**  trans23.2136.3145-84.3-31.7000124.6
769L29.5Very low30.8Very low156 Ų156137.4 Ų137.482%0.81770%0.698SS**  45.8136.4127.3-57.5166.9000121.5
770S27.8Very low30.7Very low123 Ų123140.1 Ų140.186%0.8670%0.699SS**  trans-138.197.2154.446.40000111.5
771E30Very low30.4Very low170 Ų170142.6 Ų142.679%0.79470%0.702SS**  trans-102.3123158.6-102.9-166.2146.100108.2
772Y28.3Very low30.2Very low196 Ų196137.2 Ų137.277%0.76969%0.692SS**  trans62.7155176.1-66.7-111.6000113.8
773E30.9Very low30.2Very low150 Ų150138 Ų13870%0.70169%0.692SS**  cis-142.7-174.63.4-149.2161.3-13800112.2
774H32.4Very low29.9Very low142 Ų142137.2 Ų137.266%0.65769%0.692SS**  trans-12.9151.3156-67.7-12.8000119.4
775Q28Very low29.8Very low113 Ų113141.5 Ų141.553%0.52871%0.706SS.*  cis-167.5174.90.6-115.2171.65200108.3
776R27.8Very low29.5Very low194 Ų194139.5 Ų139.573%0.73270%0.704SS**  trans39.4137.4143.8-67-179.4-162.31699.8119.8
777D33.4Very low29.5Very low117 Ų117136.4 Ų136.463%0.62671%0.706SS**  cis-144.7140.925.3-97.6-44.1000108.9
778N30.3Very low29.5Very low126 Ų126134.6 Ų134.667%0.67471%0.709SS**  58.6149.985.8-73.9-47.6000115.4
779N30.4Very low29.4Very low113 Ų113134.4 Ų134.460%0.60472%0.716SS**  trans75.9143.9161-55.3-26.2000117.6
780Y27.6Very low29.6Very low192 Ų192132.8 Ų132.875%0.75372%0.716SS**  cis-148.2147.2-14.2-114.9-42000112.7
781T26.9Very low29.7Very low116 Ų116133.2 Ų133.271%0.71271%0.712SS**  trans-5162.4150.850.60000121.7
782A27.3Very low29.8Very low85 Ų85130 Ų13070%0.70271%0.706SS**  trans109.1145.1140.800000114.9
783T29.5Very low29.8Very low121 Ų121125.4 Ų125.474%0.74270%0.703SS**  cis-147141.45.6-20.80000110.6
784T28.3Very low29.5Very low112 Ų112123.1 Ų123.169%0.68770%0.703SS**  trans24.2140.1146.963.50000120
785K31.8Very low29.4Very low182 Ų182123.2 Ų123.279%0.79171%0.708SS**  -163.6140.165.2-88.4-176.5-178.1175.50114
786S28.3Very low29.3Very low106 Ų106125 Ų12574%0.74172%0.72SS**  trans33.2140.8140.560.70000121.1
787S29.9Very low29.3Very low101 Ų101122.3 Ų122.371%0.70672%0.721SS**  cis-171.21717.537.10000111.4
788S32.2Very low29.3Very low101 Ų101121.9 Ų121.971%0.70672%0.723SS**  trans58.2110.4162.943.70000116.2
789S27.9Very low29.4Very low106 Ų106123.5 Ų123.574%0.74173%0.726SS**  cis60129.937-1390000111.9
790P32.2Very low29.3Very low123 Ų123125.9 Ų125.980%0.79973%0.733SS**  cis-128.2135.743.135.1-18.3000117.9
791V30.9Very low29.5Very low131 Ų131119.9 Ų119.979%0.79472%0.719SS**  trans-78.3141.9138.6170.30000105.6
792P31.1Very low29.7Very low103 Ų103121.3 Ų121.367%0.66972%0.718SS**  -162.7-17891.545.5-24.3000119
793S28.6Very low29.6Very low99 Ų99121.7 Ų121.769%0.69272%0.715SS**  trans70.8135.6149.5-62.40000119.3
794S25Very low29.7Very low102 Ų102125 Ų12571%0.71372%0.716SS**  cis70.889.310.495.50000117.7
795L29.6Very low29.6Very low145 Ų145126.6 Ų126.676%0.75972%0.72SS**  trans-170.8125.7143.8-113.260.9000102.4
796L25.8Very low29.4Very low150 Ų150124 Ų12479%0.78572%0.719SS**  69.3161.375.2-74.4170.3000113.8
797D27.9Very low29.3Very low137 Ų137123 Ų12373%0.73372%0.718SS**  trans71.9140.3179.7-47-26.9000114.2
798T33.3Very low29.3Very low109 Ų109125.7 Ų125.767%0.66972%0.723SS**  cis-141.7143.75.1-11.30000110.9
799E32.5Very low29Very low159 Ų159125.7 Ų125.774%0.74372%0.723SS**  trans40.4117132.1-70.3167.9-173.800119.3
800E29.3Very low29Very low163 Ų163127.6 Ų127.676%0.76273%0.73SS**  104.416196-87.6-152.1-17500111.8
801S31.8Very low28.8Very low66 Ų66125.8 Ų125.846%0.46273%0.726SS.*  cis-150.5161.8-7.2-125.70000111.7
802Q31.2Very low28.7Very low147 Ų147125 Ų12569%0.68772%0.721SS**  trans36.8107.4138.1-60.6169.255.600118.7
803S25.4Very low28.6Very low92 Ų92130.4 Ų130.464%0.64373%0.728SS**  87.1-178.271.780.70000114.4
804Y30.3Very low28.4Very low192 Ų192129.5 Ų129.575%0.75372%0.722SS**  trans69.3119.6-165.5-57.7-88.2000114.3
805N26.8Very low28.5Very low144 Ų144132.8 Ų132.877%0.7772%0.724SS**  cis80150.540.2-65.4-28000114.8
806T28.8Very low28.4Very low127 Ų127130.1 Ų130.178%0.77972%0.717SS**  trans77.5100.1-176.1-37.30000111.5
807A25.5Very low28.5Very low87 Ų87129.6 Ų129.672%0.71972%0.715SS**  cis72.4110.646.100000114
808I28.7Very low28.4Very low157 Ų157131.4 Ų131.481%0.80572%0.721SS**  trans179.9110.9163.1-94.6148000102.3
809S25.9Very low28.1Very low100 Ų100129.7 Ų129.770%0.69973%0.725SS**  69.18958.4-59.40000113.4
810T27.9Very low27.7Very low147 Ų147128.8 Ų128.890%0.90273%0.731SS**  150152.9120.8550000110.5
811A29.5Very low27.5Very low85 Ų85129.6 Ų129.670%0.70274%0.735SS**  cis-144171.20.600000112.5
812T28Very low27Very low114 Ų114132.5 Ų132.570%0.69975%0.75SS**  trans-22.7149.1156.2570000116.5
813R28.8Very low26.8Very low216 Ų216131.9 Ų131.982%0.81575%0.75SS**  cis-135.414034.4-90.4178.4176.5171.5-3.8110.4
814S24.5Very low26.7Very low80 Ų80133.3 Ų133.356%0.55975%0.75SS**  cis65.610727.8-42.50000114.1
815F28Very low26.5Very low172 Ų172134.3 Ų134.375%0.75475%0.754SS**  trans159112.1145.8-82.6-49.3000106.5
816S26.1Very low26.4Very low89 Ų89133.2 Ų133.262%0.62275%0.748SS**  cis57.2129.230.3-33.20000110.6
817D27.6Very low26.2Very low139 Ų139133.1 Ų133.174%0.74374%0.742SS**  cis-163.4-162.319.4-137.4-42000109.2
818M26.4Very low26.2Very low175 Ų175136.9 Ų136.986%0.86274%0.742SS**  trans24.8122.8138.7-57.3-88.7-89.300117.6
819G27.4Very low26.1Very low73 Ų73135.3 Ų135.375%0.75374%0.735SS**  cis153.7-169.418.100000109.8Q821G819-Q821 PolarHBondContact O-N 3.07Å
820T23.2Very low26.1Very low140 Ų140133.7 Ų133.786%0.85972%0.724SS**  trans-68.9121-178.548.40000112.9
821Q25.3Very low26.1Very low179 Ų179135.2 Ų135.284%0.83671%0.714SS**  trans-149.2115.7149-139153.7100.600112.9G819G819-Q821 PolarHBondContact O-N 3.07Å
822T22.3Very low26.1Very low128 Ų128137.3 Ų137.379%0.78571%0.714SS**  trans-67133.9168.5-45.90000109.9
823I26Very low26.2Very low133 Ų133139.2 Ų139.268%0.68271%0.712SS**  trans-150.3125.3156.4-92.9128.5000107.3Y825I823-Y825 HydrophobicContact CG2-CD2 4.29Å
824N23.1Very low26.4Very low122 Ų122136.6 Ų136.665%0.65272%0.715SS**  trans-71.7141161.6-62.9-22.8000107.8
825Y26.3Very low26.7Very low214 Ų214136.1 Ų136.184%0.83972%0.722SS**  -157.6113.9125.5-80.2-59.6000105.8I823I823-Y825 HydrophobicContact CG2-CD2 4.29Å
826D25.2Very low26.7Very low121 Ų121135.4 Ų135.465%0.64773%0.726SS**  54.798.665.4-91.7-29.5000114.3
827I24.7Very low27Very low124 Ų124138.1 Ų138.164%0.63673%0.732SS**  trans65.9157.6147.3-28.1163.1000117
828F25.2Very low27.1Very low167 Ų167137.7 Ų137.773%0.73273%0.73SS**  trans73.6141.7158.3-60.2-57.6000119
829D27.5Very low27.1Very low124 Ų124135.9 Ų135.966%0.66372%0.724SS**  cis-165.1157.1-28.5-152.2-5.1000111.9
830S25.1Very low27.2Very low65 Ų65140 Ų14046%0.45573%0.727SS.*  trans63.3170.4139.4700000122
831Y27.3Very low27.5Very low179 Ų179136.4 Ų136.470%0.70272%0.718SS**  trans67.9129.4172.9-51.6-64.4000116.9
832N31.3Very low27.7Very low129 Ų129136 Ų13669%0.6972%0.72SS**  cis-130.4130.6-5.8-91.8-45.4000108.1
833K28.6Very low28Very low154 Ų154137.3 Ų137.367%0.6772%0.722SS**  72.3141.568.8-74.5-165.7178.5-178.20114
834N32.6Very low28.2Very low162 Ų162135.7 Ų135.787%0.86673%0.729SS**  trans76128.7175.6-46.9-17.9000113.9
835G31.2Very low28.4Very low70 Ų70135.2 Ų135.272%0.72274%0.735SS**  cis-171.4167.7-4.800000112.9
836D28.1Very low28.6Very low156 Ų156130.7 Ų130.783%0.83473%0.732SS**  trans-72.8-167.6-178-52.5-95.2000114.1
837I33.2Very low28.7Very low146 Ų146132.2 Ų132.275%0.74974%0.74SS**  trans105.383.6160.9-51.6160.6000115.3
838N28.6Very low28.9Very low130 Ų130131.5 Ų131.570%0.69575%0.746SS**  40.5133.6114.3-53.9-29000121.6
839N26.8Very low28.9Very low138 Ų138131.5 Ų131.574%0.73875%0.749SS**  trans74.5149.1141.5-66.7-19000120.4
840I30.7Very low28.9Very low160 Ų160132.8 Ų132.882%0.82175%0.754SS**  trans66.4127.7174.2-48.1117.8000112.8
841G27.9Very low28.9Very low64 Ų64135.9 Ų135.966%0.6677%0.765SS**  cis120.3158.46.300000111.6
842L30.9Very low29Very low169 Ų169134 Ų13489%0.88577%0.766SS**  trans80143-177.9-54.3171.3000116.8
843D27.4Very low28.9Very low156 Ų156134.3 Ų134.383%0.83477%0.768SS**  trans-78.3148.2-177.1-44.4-97.6000113.2
844A30.9Very low29Very low99 Ų99129.7 Ų129.782%0.81877%0.765SS**  -177.5142.4128.300000112
845S26.2Very low28.9Very low112 Ų112127.6 Ų127.678%0.78375%0.754SS**  trans-86.6144.8159.7-177.50000108.9
846P32.3Very low28.8Very low119 Ų119134.4 Ų134.477%0.77376%0.759SS**  -148-179.3105.939-22.5000116.2
847N26.5Very low29Very low154 Ų154132.9 Ų132.982%0.82476%0.756SS**  trans-67.3-175.2176.2-82.7-49.8000115.5
848S28.5Very low28.7Very low108 Ų108134 Ų13476%0.75576%0.757SS**  trans88109.5173.575.50000113.2
849Q26.5Very low28.8Very low168 Ų168134.9 Ų134.979%0.78576%0.762SS**  79.4143.272-80.8-167.211.400112.6
850L26.6Very low28.8Very low150 Ų150132.8 Ų132.879%0.78576%0.758SS**  trans67.4149.3172-56.3156.9000112.8
851L25.6Very low28.7Very low131 Ų131136 Ų13669%0.68676%0.762SS**  cis-174.9165.9-26.2-126.1-174.6000105.4
852L28Very low28.6Very low138 Ų138143 Ų14372%0.72377%0.768SS**  trans66.6164.3161.8-56.7153.5000114.3
853N29.1Very low28.4Very low136 Ų136140.9 Ų140.973%0.72777%0.766SS**  cis-153.1168.8-6.9-128.5-9.1000111.4
854G32.5Very low28.4Very low58 Ų58136.9 Ų136.960%0.59875%0.751SS**  trans115.689.5172.600000112.4
855N29.2Very low28.4Very low118 Ų118138.9 Ų138.963%0.63175%0.747SS**  58.9115.371.8-48.91.5000109.7
856Y29.2Very low28.5Very low212 Ų212141.1 Ų141.183%0.83175%0.746SS**  -166.8157.357.1-89-85.5000108.9
857T31.7Very low28.3Very low125 Ų125141.2 Ų141.277%0.76775%0.749SS**  cis-144.7161.3-6.3-35.60000108
858E28.4Very low28.4Very low168 Ų168138.3 Ų138.379%0.78574%0.74SS**  trans-72.6153.9163.9-61.4176.3103.700111.9
859D29.7Very low28.5Very low150 Ų150140.3 Ų140.380%0.80274%0.738SS**  trans-145.496.9147.2-132.4-24.4000108.8
860S26.8Very low28.6Very low93 Ų93139.2 Ų139.265%0.6574%0.735SS**  trans-91.5125.6178.3-78.70000110.2
861Y28.4Very low28.9Very low227 Ų227138.1 Ų138.189%0.8973%0.73SS**  trans-118.3133.3160.8-95.4-86.8000112.7
862R26.2Very low28.9Very low212 Ų212136 Ų13680%0.873%0.726SS**  trans-137.5106.3-161.2172.9-171.9-178.9-108.77.4109.5
863C27.6Very low29Very low125 Ų125139.5 Ų139.585%0.84573%0.731SS**  trans-137.9120.1155.1-74.80000104.7
864S26.7Very low28.9Very low72 Ų72140.1 Ų140.150%0.50373%0.729SS.*  cis57.693.537.4-52.90000111.8
865D31.6Very low28.8Very low140 Ų140144.1 Ų144.175%0.74974%0.737SS**  trans175.5157130.2-88.1-8.1000109.2
866Q27.5Very low28.7Very low160 Ų160143.7 Ų143.775%0.74874%0.743SS**  cis-173.3165-34.3-117.7-173.685.100105.1
867S28.5Very low29Very low121 Ų121138.5 Ų138.585%0.84674%0.735SS**  trans61.8157.5-179.575.90000115.6
868S29.2Very low28.7Very low92 Ų92138.8 Ų138.864%0.64373%0.731SS**  cis-154.4165.9-28.959.70000106.5
869E30.4Very low28.7Very low151 Ų151139 Ų13971%0.70673%0.727SS**  cis-159.7160.513.7-135.2143.3165.700110.7
870M29Very low28.7Very low144 Ų144139 Ų13971%0.70972%0.721SS**  trans2.4144.3142-76.6127.659.400119.7
871N31.1Very low28.7Very low128 Ų128141 Ų14168%0.68472%0.72SS**  cis-147.114613.5-73.5-57000107.8
872S25.5Very low28.8Very low87 Ų87137.2 Ų137.261%0.60872%0.715SS**  cis63.4101.346.877.50000116
873Y30.3Very low28.8Very low210 Ų210131.4 Ų131.482%0.82471%0.707SS**  trans-172.4120.2139-92.1-77.6000104.7
874H28.1Very low28.8Very low149 Ų149130 Ų13069%0.6970%0.698SS**  62.9131.183.1-79.1-87000112.4
875D30.8Very low29.1Very low142 Ų142134.2 Ų134.276%0.75972%0.715SS**  cis-143169.918.8-86-54.9000114.9
876S26.7Very low29Very low110 Ų110131.8 Ų131.877%0.76971%0.709SS**  trans-117.4-153.7163.7-47.10000107.9
877P34.9Very low29Very low102 Ų102128.5 Ų128.566%0.66270%0.704SS**  cis-130.7-159.4-3128.6-4.4000111.4
878L26.6Very low29.4Very low131 Ų131129.4 Ų129.469%0.68669%0.694SS**  trans69.6159.8160.7-54.3161.7000116.2
879Y27.6Very low29.5Very low174 Ų174133 Ų13368%0.68270%0.699SS**  cis-134.6178.6-9.9-84.9-72.7000107
880H30.4Very low29.5Very low148 Ų148132.2 Ų132.269%0.68570%0.698SS**  cis-138.9169.82.9-89-61.1000106.9
881Q26.9Very low29.5Very low136 Ų136133.9 Ų133.964%0.63670%0.701SS**  cis92.5132.121.5-156.1-168.4-13.600115.6
882L28.6Very low29.2Very low148 Ų148131.6 Ų131.678%0.77570%0.696SS**  trans71149.4178-47-177.3000115.9
883S27.5Very low29.3Very low90 Ų90133.8 Ų133.863%0.62970%0.7SS**  cis-162140.5-19.8-1130000108.5
884S27.9Very low29.3Very low96 Ų96132.5 Ų132.567%0.67170%0.699SS**  75.7155.893.2-49.40000115.8
885D32.4Very low29.2Very low159 Ų159133.8 Ų133.885%0.8571%0.706SS**  trans71.3151.5166.2-64.5-6.3000118.8
886S28.8Very low29.1Very low90 Ų90134.6 Ų134.663%0.62971%0.705SS**  cis-165.1108.6-19.6171.60000107.9
887S28.7Very low29.1Very low91 Ų91136.8 Ų136.864%0.63670%0.702SS**  75.9-176.4103.193.30000115.9
888H36.6Very low28.8Very low140 Ų140138.9 Ų138.965%0.64870%0.704SS**  trans80.7115.7177.8-67.325.5000115.1
889K31Very low28.8Very low168 Ų168139.8 Ų139.873%0.7370%0.704SS**  77.3135.472.6-78.6174.9-176.1170.40111
890L30.7Very low28.8Very low133 Ų133136.4 Ų136.470%0.69671%0.706SS**  cis-160.2170.320.8-108.4150.9000111.3
891K29.4Very low28.6Very low179 Ų179133.7 Ų133.778%0.77870%0.704SS**  trans13.4154.3143.7-75.4178.3-164178.40120.7
892S24.9Very low28.7Very low81 Ų81136.2 Ų136.257%0.56671%0.713SS**  cis152.1149.1-12.459.30000107.6
893N27.3Very low28.7Very low132 Ų132135.1 Ų135.171%0.70671%0.708SS**  trans78.5159.6156.3-58.2-6.2000120.7
894F29.2Very low28.7Very low183 Ų183135.3 Ų135.380%0.80371%0.705SS**  trans74.4117.5175.1-53.8-77.3000116
895H26.9Very low28.7Very low177 Ų177139.5 Ų139.582%0.81971%0.711SS**  cis80.5151.239.5-851.1000115.8
896Q28.1Very low28.5Very low158 Ų158140.7 Ų140.774%0.73871%0.709SS**  trans79.5115174.2-49.9-155.8-6400113
897H27.7Very low28.5Very low156 Ų156142.5 Ų142.572%0.72271%0.711SS**  77.1146.585.6-64-54.3000112
898Q27.2Very low28.3Very low147 Ų147146.5 Ų146.569%0.68772%0.717SS**  cis-153.4-17510-137.4167.8-5600113.4
899E26.5Very low27.9Very low149 Ų149146.5 Ų146.570%0.69672%0.721SS**  trans-38.9151165.6-57.5129.4171.300113.7
900S28.8Very low27.7Very low104 Ų104144.1 Ų144.173%0.72772%0.716SS**  176.9128.969.429.80000107.5
901S25.8Very low27.5Very low90 Ų90144 Ų14463%0.62971%0.712SS**  87.8148.864.780.90000114.6
902F29.2Very low27.6Very low190 Ų190140.2 Ų140.283%0.83370%0.701SS**  trans68155.7179.2-56.1-77.1000118.6
903N28.1Very low27.8Very low124 Ų124144.3 Ų144.366%0.66371%0.708SS**  cis-161.3156.2-43.9-153.3-4.5000111.8
904T27.7Very low27.8Very low95 Ų95143.8 Ų143.858%0.58371%0.714SS**  trans55.8128.3152.839.60000122.8
905K28.4Very low27.6Very low183 Ų183143.9 Ų143.980%0.79672%0.717SS**  trans80.5114.3130.8-72.1169.5-176.2168.60120.5
906K28.6Very low27.8Very low184 Ų184140.9 Ų140.980%0.871%0.713SS**  102.1135.6115.8-104.7-171.3175.9-170.40120
907L27.6Very low27.6Very low129 Ų129137.6 Ų137.668%0.67571%0.713SS**  trans91111.9147.1-63.6161.3000120.1
908F25.6Very low27.7Very low175 Ų175136.1 Ų136.177%0.76872%0.717SS**  77116.3123.6-84-135.9000121.7
909L26.9Very low27.9Very low140 Ų140139 Ų13973%0.73373%0.727SS**  55.6107121.7-88.6167.2000120.3
910N27.3Very low27.9Very low117 Ų117140.7 Ų140.763%0.62674%0.735SS**  125.714597.7-156.925.6000117.7
911E27.4Very low27.9Very low130 Ų130143.5 Ų143.561%0.60774%0.741SS**  trans68.6144145.3-108176.7-106.100124
912N29.9Very low27.9Very low101 Ų101145.9 Ų145.954%0.5475%0.747SS.*  trans71.4141.6150.1-62.8-35.1000118.7
913K28.6Very low27.9Very low167 Ų167144.6 Ų144.673%0.72674%0.744SS**  cis-165.6-174.9-14.5-121.7164.4-171.2128.50108.7
914C28.2Very low27.8Very low121 Ų121149.6 Ų149.682%0.81875%0.753SS**  trans76.8103159.6-64.50000120.2
915Q25.7Very low27.9Very low184 Ų184153 Ų15386%0.8676%0.762SS**  trans-63.4-179.6131-62.9-173.4-2100110.2
916P30Very low28Very low114 Ų114149.8 Ų149.874%0.7475%0.754SS**  cis-146.6-169.313.644.2-23.5000117.9
917A24.9Very low28.2Very low90 Ų90145.8 Ų145.874%0.74475%0.749SS**  trans86.2148.2144.900000120.5
918P30.3Very low28.2Very low124 Ų124146.1 Ų146.181%0.80575%0.751SS**  trans-104173.2-171.941.4-36000114
919K31.5Very low28.4Very low208 Ų208144 Ų14490%0.90475%0.747SS**  trans-133.2142.5163.6-75.2-172.8175.4-179.80112.2
920Q25Very low28.7Very low184 Ų184144.4 Ų144.486%0.8675%0.745SS**  trans-97.1-166.9165.8-63.1-178.1-900109.7
921L28.6Very low28.7Very low164 Ų164145.4 Ų145.486%0.85975%0.75SS**  trans90.1112.5-176.9-54.1168.3000112.2
922N25.9Very low28.7Very low140 Ų140144.8 Ų144.875%0.74976%0.755SS**  cis88.6161.132.1-160.823.7000113.3
923E29.6Very low28.7Very low163 Ų163148.5 Ų148.576%0.76277%0.766SS**  trans77.8119.5-163.2-50.6-170.6155.700112.1
924R26.4Very low28.6Very low228 Ų228146.4 Ų146.486%0.8677%0.773SS**  cis69.511844.1-70.7-169.8164.4-167.3-3.3114.2
925Q30.7Very low28.4Very low166 Ų166150.3 Ų150.378%0.77677%0.772SS**  trans165.9149.5149.5-92.71736700106.1
926N30.5Very low28.5Very low116 Ų116152.5 Ų152.562%0.6277%0.772SS**  cis-158.9172.7-0.9-126.5-20.8000112.1
927S31.6Very low28.2Very low101 Ų101152.2 Ų152.271%0.70677%0.772SS**  trans73142.1147.564.10000122.4
928L28.3Very low28.2Very low135 Ų135153.2 Ų153.271%0.70777%0.771SS**  cis-169.4148-23.6-128.762.6000109.5
929L30Very low28Very low131 Ų131153.2 Ų153.269%0.68677%0.77SS**  trans67.3160150.9-57.9173.3000119.7
930H32Very low27.7Very low149 Ų149150 Ų15069%0.6976%0.762SS**  cis-143174.8-2.3-125.2-46.2000113.1
931L27Very low27.8Very low138 Ų138147.6 Ų147.672%0.72377%0.765SS**  trans-57.5169.8178-54.7161.1000113.9
932T28.9Very low27.6Very low116 Ų116144.1 Ų144.171%0.71275%0.754SS**  cis-160.6151.119.4-23.70000114.2
933K29.5Very low27.5Very low179 Ų179145.9 Ų145.978%0.77876%0.763SS**  trans-0.9136155.3-59.3169.7-178.9177.40120.9
934S26.1Very low27.4Very low124 Ų124142.6 Ų142.687%0.86776%0.758SS**  -152.5-179.9114.4-158.20000111.7
935Y24.7Very low27.3Very low203 Ų203136.6 Ų136.680%0.79675%0.751SS**  trans-105.1169.7-158.8-84-102.7000116.4
936R27.3Very low27.1Very low229 Ų229139.9 Ų139.986%0.86476%0.756SS**  trans75.982.8165.4-74.8-178.9168.9167.8-3.4118.2
937S23.7Very low26.8Very low108 Ų108139 Ų13976%0.75576%0.759SS**  30.5109.9124.958.80000118.1
938P25.5Very low26.5Very low111 Ų111138.8 Ų138.872%0.72176%0.758SS**  -115.4176.1110.135.2-36.2000111.9
939T25.5Very low26.3Very low125 Ų125137.3 Ų137.377%0.76776%0.755SS**  trans68154.2-179.177.10000114.1
940L25.8Very low26.1Very low141 Ų141139.8 Ų139.874%0.73876%0.762SS**  cis-124.5163.315.5-80.1162.2000114.3S942L940-S942 PolarHBondContact O-N 3.28Å; L940-S942 PolarHBondContact O-OG 3.04Å
941S26.8Very low25.8Very low132 Ų132137.6 Ų137.692%0.92376%0.764SS**  trans-59.390.3161.1-45.10000110.6
942S24.2Very low25.7Very low92 Ų92138.5 Ų138.564%0.64377%0.768SS**  trans-146.587.4-176.964.30000115.2L940L940-S942 PolarHBondContact O-N 3.28Å; L940-S942 PolarHBondContact O-OG 3.04Å
943L24.6Very low25.6Very low176 Ų176139.1 Ų139.192%0.92178%0.776SS**  trans-134.2136.1136.7-78.7101.3000108
944S26.4Very low25.3Very low95 Ų95136 Ų13666%0.66478%0.777SS**  cis-154.1121.2-12.750.70000110.2
945S24.1Very low25.4Very low102 Ų102136.1 Ų136.171%0.71377%0.772SS**  trans-53.2132.115450.30000111.1
946W26.4Very low25.4Very low235 Ų235132.6 Ų132.689%0.8977%0.767SS**  trans-161.9115.7134.4-75.1-33.5000105.8
947S24.4Very low25.6Very low96 Ų96129.2 Ų129.267%0.67177%0.765SS**  cis64.5124.348.786.50000114.1
948S24.8Very low25.7Very low98 Ų98130.2 Ų130.269%0.68576%0.762SS**  trans77119.3155.4-140.50000119.2
949T25.1Very low25.9Very low104 Ų104128.3 Ų128.364%0.63876%0.762SS**  52.2124.2129.258.80000122.1
950H25Very low25.9Very low182 Ų182128.7 Ų128.784%0.84376%0.756SS**  trans56.8144.9131.4-64.5-70.1000122.2
951S26.1Very low25.9Very low104 Ų104131.6 Ų131.673%0.72776%0.757SS**  trans79.7112.4149.7-1510000118.6
952L25.2Very low26.1Very low156 Ų156133.4 Ų133.482%0.81775%0.751SS**  23.8111.5126.6-51.1171.6000117.6
953C25.5Very low26.2Very low130 Ų130133.2 Ų133.288%0.87875%0.749SS**  -159.3145.7120.2-136.10000113.3
954S24Very low26.5Very low112 Ų112130.3 Ų130.378%0.78374%0.738SS**  trans-97.9123.9-179.6-49.30000111.5
955V28.7Very low26.6Very low127 Ų127133.6 Ų133.677%0.7774%0.743SS**  trans-142.7114.6160.8-173.50000106.2L957V955-L957 HydrophobicContact CG1-CG 4.27Å
956N24.5Very low26.9Very low129 Ų129134.8 Ų134.869%0.6974%0.742SS**  cis8454.119-149.620.2000116.5
957L30.8Very low27.1Very low159 Ų159129.5 Ų129.583%0.83274%0.735SS**  trans-127.4110.9155.4-62.1172.9000105.3V955V955-L957 HydrophobicContact CG1-CG 4.27Å
958N25.3Very low27.4Very low129 Ų129128.6 Ų128.669%0.6974%0.742SS**  cis70.9117.723.2-14612.6000113
959G30.3Very low27.5Very low70 Ų70129 Ų12972%0.72275%0.745SS**  trans13952.4-158.600000110.2
960Q26.5Very low27.6Very low134 Ų134131.4 Ų131.463%0.62675%0.753SS**  77.5115.579.7-75.7-151.535.700114.6
961R26.2Very low27.7Very low202 Ų202129.2 Ų129.276%0.76275%0.753SS**  trans66.5160.3143.6-57.6176.2-177.6-111.86.7116.3
962E29.5Very low27.7Very low170 Ų170132.7 Ų132.779%0.79476%0.76SS**  cis-115.1143.56.1-71.2174.9140.300109.7
963S27.3Very low27.9Very low87 Ų87129.7 Ų129.761%0.60875%0.749SS**  46.5130.572.651.80000113
964V30.3Very low28Very low115 Ų115129.6 Ų129.670%0.69775%0.745SS**  -155.3131.158.6156.80000108.5
965E29.6Very low28.1Very low164 Ų164131 Ų13177%0.76674%0.743SS**  55154.3108.4-41.2-172.5170.300116.4
966N28.8Very low28Very low128 Ų128133.8 Ų133.868%0.68475%0.745SS**  cis-159.1-177.4-4-126.7-34.1000106.9
967T32.2Very low28.2Very low123 Ų123134.6 Ų134.676%0.75575%0.754SS**  cis-157.7138.84.8-13.30000109.1
968G28.8Very low28.1Very low78 Ų78135.1 Ų135.180%0.80476%0.757SS**  trans67.3158.5162.400000118.5
969S27.7Very low28Very low107 Ų107137.4 Ų137.475%0.74876%0.764SS**  cis-159.2143.7-16.948.30000109
970D26.9Very low27.7Very low154 Ų154139.4 Ų139.482%0.82477%0.767SS**  trans36.8124.5160.5-48.3-40.2000119.5
971T28.5Very low27.7Very low135 Ų135137.3 Ų137.383%0.82877%0.767SS**  cis-155.6174.743-47.50000112.2
972M26Very low27.9Very low178 Ų178136 Ų13688%0.87777%0.769SS**  trans-70.6161.2-169.5-100.4-162.971.300116.9
973P29.2Very low27.8Very low92 Ų92132.7 Ų132.760%0.59776%0.764SS**  -146.8-166.6-11545-24.3000116.8
974V27.4Very low27.9Very low129 Ų129133.4 Ų133.478%0.78277%0.765SS**  trans59.294.9162.5-174.10000115.3
975N25.7Very low28Very low141 Ų141136 Ų13675%0.75477%0.769SS**  cis76.7134.332.7-151.3-18.6000115.1
976K27.2Very low27.9Very low186 Ų186134.7 Ų134.781%0.80977%0.768SS**  trans74.893.4173.7-54.5-177.2-179.81790120.3
977V27.4Very low28Very low145 Ų145135.8 Ų135.888%0.87977%0.772SS**  -137.3142.6121.2179.50000107.6
978L29.4Very low27.8Very low170 Ų170138 Ų13889%0.8977%0.774SS**  trans-74.2141.2-177.8-72.5152.3000112.4
979Q23.4Very low27.7Very low178 Ų178139 Ų13983%0.83277%0.769SS**  trans-90.1-163.5165.3-66.7175.5-48.900110.2
980S24.5Very low27.8Very low112 Ų112140.2 Ų140.278%0.78377%0.772SS**  trans78.8130-174.177.80000114.5
981S25.6Very low27.8Very low89 Ų89139.4 Ų139.462%0.62277%0.767SS**  cis-156.1166.3-6.5-81.60000113.4
982H29.7Very low27.8Very low175 Ų175142.7 Ų142.781%0.8177%0.769SS**  trans72.8121.7163.5-47.5-56.8000117.3
983S29.1Very low27.8Very low100 Ų100141 Ų14170%0.69976%0.764SS**  cis89.4129.540.9-162.90000111.4
984T28.7Very low27.6Very low102 Ų102142.5 Ų142.563%0.62677%0.771SS**  cis-145.5-159.5-0.9-0.40000108.4
985H32.6Very low27.4Very low169 Ų169143.6 Ų143.678%0.78277%0.772SS**  cis-140.8-17812.4-91.4-74.7000110.8
986N28.3Very low27.5Very low137 Ų137141.8 Ų141.873%0.73377%0.766SS**  trans-86.3-174.9176-56.3-30.4000110.8
987I29.8Very low27.3Very low151 Ų151139.8 Ų139.877%0.77476%0.764SS**  cis-146.2127.844.2-65.4158.6000106.8
988Q27.8Very low27.4Very low170 Ų170137.8 Ų137.879%0.79475%0.752SS**  5414687.3-108.9172.8-34.800113.8
989S27.7Very low27.2Very low100 Ų100138.5 Ų138.570%0.69975%0.751SS**  cis-145-176.9-0.959.10000107.6
990T28.9Very low27.4Very low132 Ų132136.7 Ų136.781%0.8175%0.746SS**  cis-145.4-175.22.9-35.50000108.1
991L26.9Very low27.6Very low137 Ų137138.1 Ų138.172%0.71775%0.745SS**  trans-133.5141.4171-177.9134.4000110.5
992K29.4Very low27.5Very low204 Ų204141 Ų14189%0.88775%0.753SS**  trans-140.5128.3163.9-84.4-164.9174-175.80110.8
993N24.9Very low27.5Very low141 Ų141141.8 Ų141.875%0.75476%0.757SS**  trans-88138.7168.5-59.4-29.3000108.9
994T25.6Very low27.3Very low124 Ų124143.3 Ų143.376%0.76176%0.762SS**  trans-139.7111.1151.1-300000108.5V996T994-V996 HydrophobicContact CG2-CG2 3.45Å; T994-V996 VanDerWaalsContact CG2-CG2 3.45Å
995L23.9Very low27.2Very low153 Ų153143.7 Ų143.780%0.80177%0.769SS**  trans-88.8123.1167.3-150.7160.8000105.6
996V26.3Very low26.9Very low102 Ų102142 Ų14262%0.61877%0.766SS**  trans-135.186.7-173.3-175.50000109.1T994 V998T994-V996 HydrophobicContact CG2-CG2 3.45Å; T994-V996 VanDerWaalsContact CG2-CG2 3.45Å; V996-V998 HydrophobicContact CG1-CG2 3.76Å
997D24.3Very low26.9Very low144 Ų144142.6 Ų142.677%0.7776%0.764SS**  trans-75.3133.2157.2-71-57.8000108.4
998V28.7Very low26.8Very low104 Ų104142.8 Ų142.863%0.6376%0.761SS**  trans-122.890.9170.1-178.60000108.5V996 L1000V996-V998 HydrophobicContact CG1-CG2 3.76Å; V998-L1000 HydrophobicContact CG1-CB 4.32Å; V998-L1000 HydrophobicContact CG1-CD1 3.81Å; V998-L1000 HydrophobicContact CG1-CG 3.78Å; V998-L1000 PolarHBondContact O-N 2.55Å
999E24.7Very low26.7Very low185 Ų185140.1 Ų140.186%0.86475%0.752SS**  trans-71112.3158.8-68.8-168.4124.500108.8
1000L27.1Very low26.9Very low140 Ų140143.3 Ų143.373%0.73376%0.756SS**  trans-131.181.7166-82.1178.9000111.6V998V998-L1000 HydrophobicContact CG1-CB 4.32Å; V998-L1000 HydrophobicContact CG1-CD1 3.81Å; V998-L1000 HydrophobicContact CG1-CG 3.78Å; V998-L1000 PolarHBondContact O-N 2.55Å
1001N29Very low26.9Very low141 Ų141141 Ų14175%0.75475%0.745SS**  trans44.1128136.4-67.7-39.8000120.5
1002N24.3Very low27Very low150 Ų150142.1 Ų142.180%0.80275%0.751SS**  trans-47.8142.9154.7-50.9-80.3000111.5
1003H29.8Very low26.9Very low191 Ų191135.9 Ų135.988%0.88475%0.745SS**  -160.1138.6126.1-101.3-65.1000111.6
1004T24.7Very low26.9Very low133 Ų133137.5 Ų137.582%0.81675%0.75SS**  trans-96.2133.1178.148.70000112
1005S26.9Very low27.1Very low110 Ų110141 Ų14177%0.76976%0.755SS**  trans-167.9136.7140.944.50000114.3
1006N25.8Very low27.2Very low133 Ų133140.1 Ų140.171%0.71176%0.756SS**  trans4.1133.8147-41.5-21.2000117.1
1007H29Very low27.4Very low149 Ų149140.2 Ų140.269%0.6976%0.759SS**  -167.8144.167.7-99.2-92.7000112.8
1008Q26.3Very low27.5Very low155 Ų155139.5 Ų139.572%0.72476%0.759SS**  trans39.1144.9131-68.1176.9-38.500121.1
1009I27.5Very low27.4Very low115 Ų115141 Ų14159%0.5976%0.764SS**  cis-160.5147.917.3-131.3161.5000112
1010Q30.9Very low27.6Very low167 Ų167139.7 Ų139.778%0.7876%0.758SS**  trans56.4156.6158.7-64.9164.818.100120.7
1011S28.6Very low27.6Very low84 Ų84138.7 Ų138.759%0.58776%0.758SS**  cis-165.8164.6-36.258.10000110.6
1012N30Very low27.5Very low159 Ų159139 Ų13985%0.8576%0.76SS**  trans65.886.7160.1-56.8-18.2000118.6
1013G26.9Very low27.5Very low74 Ų74142.8 Ų142.876%0.76376%0.764SS**  trans-94.8-159.6176.800000117.1
1014M25.7Very low27.4Very low174 Ų174143.4 Ų143.486%0.85776%0.76SS**  trans-160.4124.8147.7-92.2-132.1-74.100113.1
1015K28.3Very low27.6Very low197 Ų197143.7 Ų143.786%0.85776%0.756SS**  trans39.298.9151.3-64.9-179.8178.8174.10121.1
1016V27.6Very low27.6Very low135 Ų135143.9 Ų143.982%0.81875%0.754SS**  trans-49.3147.5143.6-176.70000109.3
1017P28.6Very low27.7Very low105 Ų105144.2 Ų144.268%0.68276%0.755SS**  -153.2159.355.644.7-23.9000122.6
1018T27.3Very low27.8Very low128 Ų128145.1 Ų145.179%0.78576%0.759SS**  trans56.7119146.250.70000121.3
1019N27.4Very low27.9Very low135 Ų135146 Ų14672%0.72276%0.763SS**  trans-70.3141.6167.1-70.6-16.3000113.1
1020Q28Very low28Very low159 Ų159147.8 Ų147.874%0.74377%0.773SS**  44.6132116-49.8159-8.400118.7
1021T27.7Very low28Very low118 Ų118147.2 Ų147.272%0.72478%0.775SS**  cis-155.4125.8-3.81.60000109.6
1022N26.6Very low28Very low149 Ų149150.5 Ų150.580%0.79778%0.779SS**  trans-79.9122.2174-78.3-21.8000110.9Y1024N1022-Y1024 PolarHBondContact O-N 2.69Å; N1022-Y1024 VanDerWaalsContact O-N 3.15Å
1023Y24.7Very low28Very low228 Ų228150.3 Ų150.389%0.89478%0.778SS**  trans-73.798.7167.1-77.3-89.2000109.9
1024Y27.2Very low28Very low205 Ų205154 Ų15480%0.80478%0.779SS**  trans-81129.6171.2-113-95.2000110.6N1022N1022-Y1024 PolarHBondContact O-N 2.69Å; N1022-Y1024 VanDerWaalsContact O-N 3.15Å
1025L27.7Very low28.3Very low138 Ų138153.6 Ų153.672%0.72378%0.78SS**  trans-69.2134.9167.5-87.371.7000109.7I1027L1025-I1027 PolarHBondContact O-N 3.2Å
1026P28.6Very low28.3Very low114 Ų114148.8 Ų148.874%0.7477%0.771SS**  trans-7091.5169.4-18.532.7000111.3H1028P1026-H1028 VanDerWaalsContact C-N 3.35Å; P1026-H1028 PolarHBondContact O-N 3.03Å
1027I26.8Very low28.4Very low140 Ų140148.3 Ų148.372%0.71876%0.764SS**  trans-75.789.2169.7-55.5177.5000108.2L1025 Q1029L1025-I1027 PolarHBondContact O-N 3.2Å; I1027-Q1029 VanDerWaalsContact C-N 3.31Å; I1027-Q1029 HydrophobicContact CG2-CG 4.35Å; I1027-Q1029 PolarHBondContact O-N 3.19Å
1028H31.5Very low28.5Very low168 Ų168151.4 Ų151.478%0.77877%0.767SS**  trans-73.583.7173.8-107-74.3000111P1026 L1030P1026-H1028 VanDerWaalsContact C-N 3.35Å; P1026-H1028 PolarHBondContact O-N 3.03Å; H1028-L1030 PolarHBondContact O-N 2.93Å
1029Q28.1Very low28.5Very low175 Ų175151.8 Ų151.882%0.81876%0.764SS**  trans-62.6111.5160.5-69.8-174.6-6.200108.7I1027I1027-Q1029 VanDerWaalsContact C-N 3.31Å; I1027-Q1029 HydrophobicContact CG2-CG 4.35Å; I1027-Q1029 PolarHBondContact O-N 3.19Å
1030L30.3Very low28.6Very low152 Ų152153.1 Ų153.180%0.79677%0.771SS**  trans-109.197.5176.7-137.3169.4000109.1H1028 K1032H1028-L1030 PolarHBondContact O-N 2.93Å; L1030-K1032 PolarHBondContact O-N 2.96Å
1031N31Very low28.4Very low155 Ų155152.1 Ų152.183%0.82978%0.776SS**  trans-72.3110.9-170.1-141.9-7.3000110.2N1033N1031-N1033 PolarHBondContact O-N 3.46Å; N1031-N1033 VanDerWaalsContact O-N 3.09Å
1032K28Very low28.5Very low152 Ų152150.8 Ų150.866%0.66177%0.772SS**  trans-66.1106.9177.2-70.9-175.9-178.5-178.80109D278 L1030D278-K1032 IonicContact OD1-NZ 2.73Å; D278-K1032 PolarHBondContact OD1-NZ 3.42Å; D278-K1032 IonicContact OD2-NZ 3.49Å; D278-K1032 PolarHBondContact OD2-NZ 2.9Å; L1030-K1032 PolarHBondContact O-N 2.96Å
1033N29.7Very low28.3Very low156 Ų156151.4 Ų151.483%0.83477%0.774SS**  trans-119116.5171.6-151.7-4000110N1031N1031-N1033 PolarHBondContact O-N 3.46Å; N1031-N1033 VanDerWaalsContact O-N 3.09Å
1034I28.1Very low28.5Very low151 Ų151148 Ų14877%0.77477%0.766SS**  trans-93120.2-169.9-61166.1000108.8
1035N32.2Very low28.3Very low165 Ų165148.8 Ų148.888%0.88277%0.769SS**  trans-158.1146.2151.9-104-43.2000111.8
1036S26.4Very low28.3Very low96 Ų96150 Ų15067%0.67178%0.776SS**  trans-107.3140.2-173.254.70000111.9
1037N31.2Very low28.1Very low126 Ų126150 Ų15067%0.67478%0.778SS**  175.6133.5118.8-97.7-72.8000113.2
1038K30.2Very low28Very low169 Ų169149.2 Ų149.274%0.73579%0.785SS**  trans41.6123.5138.4-63.6172.8-175.3171.80120.9
1039N26.7Very low27.9Very low137 Ų137149.9 Ų149.973%0.73379%0.788SS**  trans63.398.5135.9-53.36.7000118.3
1040N30.1Very low27.8Very low162 Ų162151 Ų15187%0.86679%0.794SS**  -178.4163.597.9-90-23.4000112.8
1041T24.6Very low27.6Very low139 Ų139149.5 Ų149.585%0.85379%0.79SS**  trans-86.9123.6178.449.20000112.4
1042S28.3Very low27.4Very low89 Ų89150.7 Ų150.762%0.62279%0.791SS**  trans-155141.9142.5-165.30000110.8H1044S1042-H1044 PolarHBondContact OG-CD2 3.15Å; S1042-H1044 PolarHBondContact OG-NE2 3.42Å
1043L22.7Very low27.1Very low163 Ų163148.5 Ų148.585%0.85380%0.795SS**  trans-100.9109.3168.4-84.5167.5000108.2
1044H29.7Very low27Very low156 Ų156147 Ų14772%0.72279%0.794SS**  trans-119.1107.7163.3-75.2-81.6000109.3S1042S1042-H1044 PolarHBondContact OG-CD2 3.15Å; S1042-H1044 PolarHBondContact OG-NE2 3.42Å
1045Y22Very low26.9Very low221 Ų221145.7 Ų145.787%0.86779%0.793SS**  trans-66.5131150-85.6-100.5000107.3
1046L28.7Very low26.5Very low165 Ų165147.6 Ų147.686%0.86479%0.794SS**  trans-112.1136162.4-85.2168.1000108.3
1047S25Very low26.6Very low114 Ų114148.5 Ų148.580%0.79780%0.795SS**  trans-75.5166.9-174.8-61.10000112.3E1049S1047-E1049 PolarHBondContact O-N 3.47Å
1048S24.2Very low26.3Very low122 Ų122149.3 Ų149.385%0.85380%0.799SS**  trans-59.9119.3174.1510000113
1049E29.8Very low26.4Very low182 Ų182150.1 Ų150.185%0.8580%0.803SS**  trans-114.8151.1162.2-80-167.1132.900111.4S1047S1047-E1049 PolarHBondContact O-N 3.47Å
1050Q25.6Very low26.4Very low200 Ų200149.9 Ų149.994%0.93581%0.806SS**  trans-86.6107.1-174.7-61172.7-3.200110.9
1051V26.4Very low26.5Very low119 Ų119147.4 Ų147.472%0.72180%0.802SS**  trans-131.5101.9175-172.20000112.7
1052Q25.4Very low26.7Very low180 Ų180150.5 Ų150.584%0.84180%0.803SS**  trans43.1112.3149.4-68.1172.7-19.100120
1053S22.4Very low26.8Very low107 Ų107153 Ų15375%0.74882%0.815SS**PPolyproline II helixtrans-57.9134.1159.551.70000112.4T1055S1053-T1055 PolarHBondContact O-N 3.06Å
1054P27.8Very low26.9Very low125 Ų125149.7 Ų149.781%0.81281%0.805SS**PPolyproline II helixtrans-69.8126.4178.127.9-33.9000112.1
1055T26.4Very low26.5Very low122 Ų122152.6 Ų152.675%0.74881%0.812SS**PPolyproline II helixtrans-64.9131-174.1-48.50000113.4S1053 V1057S1053-T1055 PolarHBondContact O-N 3.06Å; T1055-V1057 HydrophobicContact CG2-CG2 4.39Å; T1055-V1057 PolarHBondContact O-N 3.35Å
1056F22.6Very low26.7Very low205 Ų205152.6 Ų152.690%0.89981%0.812SS**  trans-64.6103.5166.2-89.2-92.9000111
1057V29.6Very low26.4Very low115 Ų115149.7 Ų149.770%0.69781%0.805SS**  trans-102.589.6169-177.30000109.5T1055 K1059T1055-V1057 HydrophobicContact CG2-CG2 4.39Å; T1055-V1057 PolarHBondContact O-N 3.35Å; V1057-K1059 HydrophobicContact CG1-CG 4.42Å; V1057-K1059 PolarHBondContact O-N 3.22Å
1058N24.4Very low26.6Very low144 Ų144149.9 Ų149.977%0.7780%0.804SS**  trans-72.8105.1175.3-175.44.6000110.2
1059K32.6Very low26.5Very low186 Ų186150.4 Ų150.481%0.80980%0.802SS**  trans-119.2110.6169.6-85.7-168.9174.1-177.90111.9V1057V1057-K1059 HydrophobicContact CG1-CG 4.42Å; V1057-K1059 PolarHBondContact O-N 3.22Å
1060T27.3Very low26.4Very low131 Ų131146.2 Ų146.280%0.80479%0.792SS**  trans-80.1119.8178.5510000112.1
1061S31.9Very low26.5Very low110 Ų110144.3 Ų144.377%0.76978%0.783SS**  trans-147.6109.1157.745.80000109.7
1062K28.1Very low26.6Very low204 Ų204143.8 Ų143.889%0.88778%0.776SS**  trans-77.8132.2173.8-61.7172.1-179.3173.90109.4
1063T30.3Very low26.8Very low142 Ų142145.8 Ų145.887%0.87178%0.776SS**  trans-150.1141.2152.511.80000108.5
1064S24.2Very low27.1Very low93 Ų93146.3 Ų146.365%0.6578%0.78SS**  trans-123.3159.3-175.2-57.30000110.1
1065Y22.3Very low27.3Very low218 Ų218143.5 Ų143.586%0.85577%0.773SS**  trans67.3135.7-178.2-42.8-81.6000112.2
1066Y25.6Very low27.5Very low220 Ų220147.1 Ų147.186%0.86378%0.782SS**  cis-142.1167.435.2-109.7-98.7000112.7
1067S23.6Very low27.9Very low105 Ų105142.5 Ų142.573%0.73478%0.775SS**  trans-113.4125.1162.6-178.20000109.7
1068P28Very low28Very low117 Ų117144.4 Ų144.476%0.7678%0.78SS**  trans-105.7127171.134.5-26.1000111.9
1069V23.5Very low28.1Very low134 Ų134144.9 Ų144.981%0.81278%0.777SS**  trans-79.5156.1161.8172.80000109.1
1070S26.6Very low28Very low93 Ų93145.8 Ų145.865%0.6578%0.781SS**  trans115.4127.7152.578.90000118.9
1071Q26.9Very low27.9Very low161 Ų161144.9 Ų144.975%0.75278%0.775SS**  trans53.8126.4139.6-55.9169.310.600119.2
1072N29.3Very low27.8Very low107 Ų107147.8 Ų147.857%0.57278%0.78SS**  -167.8141.961.9-93.2-82.8000114.3
1073R30.1Very low27.9Very low223 Ų223144.6 Ų144.684%0.84277%0.773SS**  trans63.4145.2137.1-62.6171.8-164.3-127.5-2.3120.2
1074S28.8Very low27.6Very low118 Ų118147.2 Ų147.283%0.82577%0.768SS**  cis-169.2148.3-9.745.60000112.7
1075G30.8Very low27.7Very low65 Ų65154.1 Ų154.167%0.6778%0.78SS**  trans132.983.9172.100000111.8
1076Q31.7Very low27.9Very low198 Ų198150.6 Ų150.693%0.92578%0.776SS**  55.8125.188.5-61.9-177.6-1.800113.3
1077S30.9Very low28.2Very low108 Ų108146.9 Ų146.976%0.75578%0.777SS**  cis-167.6172.6-5.170.50000109
1078I30.6Very low28.3Very low156 Ų156148.8 Ų148.880%0.878%0.778SS**  cis-150.6152.84.8-150.5162.4000113.7
1079Q26.7Very low28.3Very low154 Ų154153.4 Ų153.472%0.7278%0.781SS**  trans-13.5131.4161.6-145.769.3600123.1
1080K30.9Very low28.8Very low205 Ų205152.9 Ų152.989%0.89178%0.781SS**  -166.8130.2115.1-106.3177.2-177.5-178.20111.6
1081V25.6Very low28.8Very low111 Ų111151.6 Ų151.667%0.67378%0.782SS**  trans-147.5130.5-176.81740000109.5
1082I30.2Very low29.1Very low172 Ų172152.5 Ų152.588%0.88279%0.792SS**  trans-157.6134.4164-52.5-179.4000106.5
1083D28.9Very low29Very low136 Ų136156.5 Ų156.573%0.72780%0.804SS**  cis-155.8-166.2-36.4-148.7-90000109
1084Y23.9Very low29Very low197 Ų197156.8 Ų156.877%0.77381%0.805SS**  trans-116.7157.8-174-94.5-94.1000114.7
1085R27.6Very low29Very low238 Ų238159.2 Ų159.290%0.89880%0.803SS**  trans-146.2107.1144.3-112.3-176.4-173.2-176.13.9112.3
1086N25.2Very low28.8Very low145 Ų145163.4 Ų163.478%0.77581%0.81SS**  trans-99.5148159.3-88.4-22.6000108.9
1087T31.8Very low28.8Very low142 Ų142164 Ų16487%0.87181%0.81SS**  trans-132.8138.6174.2-17.10000110.1
1088L26.5Very low28.5Very low145 Ų145162.3 Ų162.376%0.75981%0.81SS**  trans-120.3126.6-167.5-78.9164.1000112.4
1089Y27.9Very low28.6Very low213 Ų213163.2 Ų163.284%0.83582%0.815SS**  trans61.2-177.3155-79.4-83.7000115.7
1090P34.2Very low28.5Very low124 Ų124163.9 Ų163.981%0.80582%0.818SS**  cis-121.7160.6-0.340.6-25.5000116.6
1091G26.4Very low28.6Very low66 Ų66158.5 Ų158.568%0.6881%0.812SS**  trans-86.8-161.7-176.100000116.7
1092L32.5Very low28.7Very low180 Ų180158 Ų15894%0.94281%0.809SS**  trans-166158.8156.8-107.2167.4000111.6
1093K28.9Very low28.5Very low190 Ų190155.4 Ų155.483%0.82681%0.806SS**  trans-116.7133.9173.7-66.8178.9178.7178.80110.3
1094R30.1Very low28.4Very low230 Ų230153 Ų15387%0.86880%0.8SS**  trans168.7120.2145.2-94.5156.6-175.6-152.70.1108.5
1095Q27.4Very low28.6Very low169 Ų169149.8 Ų149.879%0.7980%0.801SS**  68.2112.783.6-80.6-170.3-31.600115.2
1096N28Very low28.7Very low153 Ų153144.2 Ų144.282%0.81879%0.793SS**  trans28.7110.5144.9-57.59.5000118.8
1097K31.1Very low28.8Very low210 Ų210143.4 Ų143.491%0.91379%0.789SS**  -155.2133.9116.3-106.6161.8-174.9-178.80109.4
1098G24.7Very low28.5Very low73 Ų73144.7 Ų144.775%0.75379%0.789SS**  trans-74.7141.4173.200000110.4
1099L31.3Very low28.5Very low174 Ų174146.7 Ų146.791%0.91179%0.788SS**  trans-115.1107.7160.6-100.3166.4000108A1101L1099-A1101 PolarHBondContact O-N 2.91Å
1100H24.8Very low28.4Very low169 Ų169145.9 Ų145.978%0.78279%0.792SS**  trans-67.7120.3171.6-91.8-103.1000109.6T1102H1100-T1102 HydrophobicContact CB-CG2 3.74Å
1101A34.6Very low28Very low92 Ų92145.5 Ų145.576%0.7679%0.787SS**  trans-150.450.8163.700000107.9L1099L1099-A1101 PolarHBondContact O-N 2.91Å
1102T26.1Very low28.1Very low100 Ų100148 Ų14861%0.61379%0.792SS**  47.2119.589.763.50000114H1100H1100-T1102 HydrophobicContact CB-CG2 3.74Å
1103S26.7Very low27.9Very low117 Ų117145.3 Ų145.382%0.81878%0.783SS**  trans68.2141.4163.4-65.20000116.5
1104S26.8Very low28Very low87 Ų87143.6 Ų143.661%0.60878%0.783SS**  cis-170160.4-9.5440000109.7
1105T27.3Very low28.1Very low129 Ų129137.8 Ų137.879%0.79178%0.777SS**  trans63.2164.3158.650.90000115.5
1106V31.2Very low28.6Very low121 Ų121134.6 Ų134.673%0.73377%0.772SS**  cis-129.4146.35.7-144.40000111
1107N27.1Very low29Very low127 Ų127133.7 Ų133.768%0.67977%0.766SS**  trans-51.9152.6149.5-60.9-45.6000108.5Y1109N1107-Y1109 PolarHBondContact O-N 3.33Å
1108L25.4Very low29.2Very low170 Ų170132.4 Ų132.489%0.8976%0.764SS**SBend40.32469.5-95.8173.1000116
1109Y26.7Very low29.6Very low187 Ų187139.8 Ų139.873%0.73377%0.768SS**  trans-149.2110.7152.7-93.4-66.3000111.1N1107 T1111N1107-Y1109 PolarHBondContact O-N 3.33Å; Y1109-T1111 PolarHBondContact O-N 3.41Å
1110Q25.4Very low29.7Very low195 Ų195142.7 Ų142.791%0.91177%0.767SS**  trans-90.879.2172.7-172.7172.22.900108.9P1112Q1110-P1112 WeakPolarHBondContact O-CD 3.4Å
1111T26.1Very low30Very low116 Ų116139.8 Ų139.871%0.71277%0.766SS**  trans-88.5115.5176.738.10000111.1Y1109Y1109-T1111 PolarHBondContact O-N 3.41Å
1112P27Very low29.9Very low119 Ų119138.7 Ų138.777%0.77376%0.763SS**  trans-110106.4-173.335.9-24.1000113.6Q1110Q1110-P1112 WeakPolarHBondContact O-CD 3.4Å
1113T28.7Very low30.3Very low124 Ų124140.3 Ų140.376%0.76177%0.769SS**  trans-151.2139.1166.236.30000107.3
1114D31.8Very low30.7Very low154 Ų154142.6 Ų142.682%0.82477%0.766SS**  cis-136.2170.913.3-97.9-53000114.9
1115S31.2Very low31.1Very low107 Ų107144 Ų14475%0.74878%0.776SS**  trans-81.1177179.9-113.10000113.2
1116P38.9Very low31.3Very low103 Ų103142.4 Ų142.467%0.66978%0.776SS**  cis-143.5154.32740.5-20.9000119.4
1117N35.9Very low31.5Very low133 Ų133146 Ų14671%0.71178%0.781SS**SBend-175.9158.1111.1-94.1-43000112.3
1118H36.3Very low31.8Very low184 Ų184145.9 Ų145.985%0.85278%0.779SS**  trans50.965-179.9-64.8-77.8000115.7
1119R33.3Very low32.2Very low227 Ų227143.5 Ų143.586%0.85777%0.767SS**  64.4117.469.4-81.8-170168.9-171.8-1.1117.7
1120R32.1Very low32.5Very low236 Ų236141.5 Ų141.589%0.89176%0.764SS**  trans75.7146.3158.4-69.5-175.4174.2-172.3-2.5118.9
1121S30.8Very low32.7Very low108 Ų108138.2 Ų138.276%0.75575%0.748SS**  cis-176.8140-28.7470000111.3
1122G32.6Very low32.9Very low68 Ų68136.5 Ų136.570%0.70175%0.746SS**  trans103152.3171.400000114.1
1123N35.6Very low33.1Very low135 Ų135139 Ų13972%0.72275%0.745SS**  cis-158.5147.52.7-119.613.3000112.5
1124H34.1Very low33.4Very low165 Ų165144.9 Ų144.976%0.76477%0.77SS**  trans64.1147.8168.1-47-55.9000118.2
1125S36.6Very low33.5Very low116 Ų116144.4 Ų144.481%0.81177%0.767SS**  cis-158.3144.2-20.846.40000109.6
1126A31.1Very low33.6Very low96 Ų96146.4 Ų146.479%0.79377%0.768SS**  trans-106.2167.1-175.500000113.4
1127K33.8Very low33.3Very low195 Ų195148.8 Ų148.885%0.84877%0.774SS**  trans150.9151.2145.3-88-173.7179.3-173.40111.6
1128I34.1Very low33.2Very low125 Ų125149.7 Ų149.764%0.64178%0.778SS**  cis-159.8145.7-27.6-129.5176.9000108.2
1129I33.6Very low33Very low121 Ų121147.6 Ų147.662%0.62177%0.773SS**  trans24.2134.2130.6-54.1171.2000116.7
1130E34.1Very low33Very low145 Ų145142.3 Ų142.368%0.67877%0.767SS**  -171.2136.778.2-155.595.7-111.700113.3
1131Q29.6Very low33Very low125 Ų125135.6 Ų135.658%0.58476%0.759SS**  trans30.2173.7133.2-50.5-178.751.300121.7
1132A29.4Very low33.2Very low80 Ų80137.7 Ų137.766%0.66176%0.759SS**  cis-149.2135.313.200000112.2
1133K32Very low33.3Very low173 Ų173143.5 Ų143.575%0.75276%0.764SS**  65.2102.8102.3-61.3174.1176.3154.10116.6
1134L35.2Very low33Very low246 Ų246144.3 Ų144.3100%1.28877%0.767SS**  -1440105.6-118.2169.7000109.3

Retrieved 1,134 of 1,134 residues in 805.8 ms (Link to these results)