A0A096NUK7_PAPAN Loading...

DLG associated protein 4

AlphaFold DB , UniProt , Accession A0A096NUK7, Species PAPAN (Papio anubis, Olive baboon), Gene DLGAP4, Length 989 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.8Very low34.1Very low225 Ų225159.9 Ų159.9100%1.10884%0.838SS**  01500-69.682.488.100109.2
2K34.8Very low33.8Very low208 Ų208158.7 Ų158.790%0.90483%0.832SS**  31.9128.2109-49.2-179.6175.6-179.70114.5
3G37.1Very low33.3Very low64 Ų64153.1 Ų153.166%0.6681%0.814SS**  cis129.8165.90.500000112.6
4L37.8Very low32.9Very low190 Ų190153.4 Ų153.4100%0.99582%0.816SS**  trans74.6149.8-174.8-45.3175000114.2
5G31.8Very low32.3Very low71 Ų71149.7 Ų149.773%0.73281%0.808SS**  cis-177.3163.2-5.400000112.8
6D31.7Very low32.1Very low161 Ų161151 Ų15186%0.86181%0.813SS**  trans-69.2155.9-176.4-71.3-85.4000116
7S29.2Very low31.8Very low118 Ų118150.4 Ų150.483%0.82581%0.809SS**  171.3160.6112.848.30000115.2
8R31.9Very low33.2Very low239 Ų239146.6 Ų146.690%0.90279%0.794SS**  trans-114.6-177158.9-49.9177.5169.2-170.1-3.5107.2
9P45.8Very low33.9Very low102 Ų102145.1 Ų145.166%0.66279%0.792SS**  cis-143.3-168.3-2.244.5-25.7000116.1
10R30.2Very low33.7Very low222 Ų222145.8 Ų145.884%0.83879%0.79SS**  trans81.4132.8144.8-79.9-179.7-174.8161.20.7123
11H27.9Very low33.5Very low159 Ų159147 Ų14774%0.73679%0.79SS**  trans96141.8130.9-106.4-92.9000123.6
12L30.8Very low34.3Very low145 Ų145140.7 Ų140.776%0.75977%0.766SS**  trans66.6161.5163.2-59.1177.6000117.3
13S27.5Very low34.1Very low86 Ų86137.9 Ų137.960%0.60176%0.76SS**  cis174.4157.9-42.9-96.30000107.5
14D27.4Very low33.7Very low158 Ų158144.2 Ų144.285%0.84577%0.77SS**  trans64160.3164.2-65-43.3000116.7
15S23.9Very low33.3Very low98 Ų98140 Ų14069%0.68576%0.763SS**  cis-169158.1-26.2173.70000107.6
16L28.4Very low33.2Very low170 Ų170140.3 Ų140.389%0.8977%0.765SS**  171.3139.3129.8-92.2167.3000113.3
17D27.4Very low33.2Very low141 Ų141139 Ų13975%0.75476%0.763SS**  trans-172.8171178.8-171.652.6000106.6
18P57.7Low33.2Very low81 Ų81138.9 Ų138.953%0.52675%0.754SS.*  cis-103.2-140.7-40.426.7-5.2000109.5
19P45.8Very low33.1Very low118 Ų118138 Ų13877%0.76675%0.75SS**  -124.5154.755.310.215.7000114
20H30.1Very low32.2Very low160 Ų160140.3 Ų140.374%0.74176%0.757SS**  60.2140.373.8-74.1-75.2000115.6
21E30.2Very low33.2Very low170 Ų170133.8 Ų133.879%0.79474%0.744SS**  cis-148.417213-112.6-138.9122.700113.8
22P52.1Low33.2Very low94 Ų94136.1 Ų136.161%0.6175%0.747SS**  trans-111.1167.7-178.941.3-32.3000115
23L32.3Very low33.3Very low148 Ų148136 Ų13678%0.77575%0.746SS**  trans-152.8137.1164.6-83.4-169.8000117.6
24F28.3Very low33.5Very low197 Ų197139.1 Ų139.186%0.86476%0.756SS**  trans66164.5150.7-75.9-60000124.2
25A29.9Very low33.8Very low103 Ų103136.8 Ų136.885%0.85175%0.752SS**  trans-142.5173-164.900000111.8
26G29.3Very low34.6Very low76 Ų76137.7 Ų137.778%0.78476%0.756SS**  trans-148.6149.8175.300000112.6
27T30.4Very low34.7Very low133 Ų133134.5 Ų134.582%0.81674%0.743SS**  trans-132.4-177.9-174.6-41.50000109.6
28D29Very low34.8Very low117 Ų117136.4 Ų136.463%0.62675%0.747SS**  trans73.5148.7174.3-74-0.4000115.7
29R31.5Very low33.3Very low220 Ų220135.6 Ų135.683%0.8375%0.748SS**  cis-156.2160.3-0.9-125.2167.9-147.3-161.94.7113.6
30N26.5Very low32.5Very low151 Ų151139.7 Ų139.781%0.80775%0.754SS**  trans-91.1178.9163.3-113.4-36.5000110
31P50.4Low32.3Very low85 Ų85136.3 Ų136.355%0.55275%0.754SS**  cis-135.8-146.6-16.840.7-20.2000111.7
32Y28.3Very low32.3Very low207 Ų207139.9 Ų139.981%0.81276%0.76SS**  trans123.6145.1153.6-66.8-56.4000114.1
33L32.6Very low31.1Very low142 Ų142143.3 Ų143.374%0.74377%0.768SS**  cis-169.6171.6-40-129.6-171.7000108.1
34L33.1Very low31Very low152 Ų152140.9 Ų140.980%0.79677%0.769SS**  trans75.5108.6163.3-63.4162.8000120
35S31.7Very low31Very low109 Ų109142.4 Ų142.476%0.76277%0.769SS**  trans-80.8153.2142.7-45.90000110
36P41Very low31.2Very low118 Ų118147.1 Ų147.177%0.76677%0.77SS**  -150.7-174.110936.3-18.4000114.9
37T31.7Very low31.9Very low103 Ų103149.3 Ų149.363%0.63277%0.771SS**  cis-176.8134.4-45.4-76.60000108.6
38E28Very low31.8Very low180 Ų180146.3 Ų146.384%0.84177%0.767SS**  trans61.4170.8163.5-73.5170.6152.200119.3
39A27Very low31.9Very low65 Ų65149.7 Ų149.754%0.53778%0.779SS.*  cis-172.8173.7-39.900000110.7
40F28.1Very low31.8Very low204 Ų204146.3 Ų146.390%0.89578%0.777SS**  trans66.7148.1166.7-59.3-70000116.5
41A27.4Very low31.9Very low89 Ų89146 Ų14674%0.73678%0.781SS**  cis-154.2-153.8-11.800000107.1
42R28.8Very low31.1Very low244 Ų244149.8 Ų149.892%0.92180%0.796SS**  cis-155.7-141.18.8-152.8179.8-177155.13.6111.3
43E28.2Very low31.8Very low167 Ų167146.1 Ų146.178%0.7880%0.797SS**  trans-155.6135.3-157.5176.6-170.8-15800112.5
44A30.3Very low31.8Very low96 Ų96142.3 Ų142.379%0.79379%0.793SS**  trans-177153.216000000109.8
45R28.4Very low31.6Very low229 Ų229143.1 Ų143.186%0.86480%0.798SS**  cis173.8143-33-109.2-168.7-158.1169.46.7106.6
46F32.8Very low31.4Very low202 Ų202140.6 Ų140.689%0.88679%0.789SS**  trans-64.5174.2169.8-74.1-79.8000113.6
47P44.2Very low31.1Very low122 Ų122143.4 Ų143.479%0.79280%0.797SS**  cis-122.2-161.528.345.8-30.7000114
48G28.9Very low31.2Very low71 Ų71148 Ų14873%0.73281%0.808SS**  cis178.3-172.34.300000110
49Q30.1Very low31.9Very low187 Ų187144.4 Ų144.487%0.87480%0.8SS**  cis-161.8-154.9-9.5-144.2170.42.700110.4
50N29.6Very low32.1Very low149 Ų149148.5 Ų148.580%0.79781%0.812SS**  trans-102.2158.4-169.9-54.4-25.2000115.7
51T28.4Very low32Very low144 Ų144144.8 Ų144.888%0.88380%0.802SS**  trans-166.7149.8134.118.90000114.6
52L35.5Very low32.2Very low165 Ų165146.9 Ų146.986%0.86480%0.801SS**  trans-127.8162.7161-75171.9000107.9
53P42.1Very low32.2Very low130 Ų130144 Ų14484%0.84480%0.798SS**  -153.2158.3102.237.9-20.2000118.1
54G32.3Very low32.4Very low63 Ų63144 Ų14465%0.64980%0.802SS**  trans75.8177.815800000118
55D28.7Very low33.2Very low168 Ų168145.1 Ų145.190%0.89880%0.801SS**  cis-172167.6-28.2-113.6-62.5000108.8
56G29Very low34.1Very low57 Ų57139.8 Ų139.859%0.58880%0.797SS**  cis-176.4170.3-1.100000114
57L34.7Very low34.4Very low176 Ų176136 Ų13692%0.92179%0.792SS**  trans76.2115.2168.9-53.2-176.5000121.1
58F32.5Very low33.6Very low200 Ų200134.9 Ų134.988%0.87779%0.787SS**  trans-72.9173.9159.6-90.5-73.7000111.7
59P43.5Very low33.6Very low104 Ų104136.7 Ų136.768%0.67579%0.789SS**  cis-160.4171.446.245.4-23.1000122.5
60L30.1Very low33.5Very low151 Ų151133.5 Ų133.579%0.79178%0.782SS**  trans63.8148.7144.9-76.7163000119.6
61N26.8Very low33.8Very low126 Ų126135.9 Ų135.967%0.67479%0.786SS**  cis-152.7169.1-4.1-164.57.3000111.1
62N30.8Very low34.4Very low134 Ų134134.5 Ų134.572%0.71778%0.779SS**  trans-69.6153.3177.6-62.1-23.9000115
63Q29.7Very low34.3Very low184 Ų184136.4 Ų136.486%0.8678%0.775SS**  -173.1167.5124.5-101.3152.2109.700113
64L32.3Very low33.6Very low166 Ų166137.9 Ų137.987%0.86977%0.774SS**  trans-104.9-154.4-176.2-57.4165.8000111.5
65P47.2Very low33.5Very low119 Ų119141.5 Ų141.577%0.77377%0.774SS**  trans-88.7179.4-144.76.420.9000112.3
66P47.9Very low33.5Very low118 Ų118144.7 Ų144.777%0.76678%0.775SS**  cis-139.4-150.133.345.9-24.8000111.8
67P38.3Very low33.3Very low121 Ų121148.1 Ų148.179%0.78678%0.78SS**  cis-129.2-87.1-9.134-11.4000116.6
68S26.7Very low33Very low100 Ų100144.9 Ų144.970%0.69977%0.772SS**  trans-164.1146.8-153.159.60000115.2
69S29.8Very low32.8Very low109 Ų109142.8 Ų142.876%0.76276%0.764SS**  trans67.5153.3165.4-144.60000115.1
70T28.7Very low31.9Very low119 Ų119147.1 Ų147.173%0.7377%0.773SS**  cis-146.5161.910.4-44.30000109.7
71F34.6Very low31.9Very low199 Ų199147.5 Ų147.587%0.87377%0.771SS**  trans-52.1141.2163.3-76.4-84.4000111.3
72P40.7Very low32.5Very low115 Ų115148 Ų14875%0.74778%0.778SS**  -150.5142.990.537.8-19.7000118.2
73R33.6Very low32.8Very low206 Ų206147 Ų14778%0.77778%0.779SS**  trans8.6121.6135.9-175.5-170-158.7158.26119.1
74I28.5Very low32.7Very low160 Ų160147 Ų14782%0.82178%0.779SS**  trans-138.5147.4138.5-34.6177.7000108.5
75H30.2Very low32.5Very low140 Ų140147.6 Ų147.665%0.64878%0.777SS**  trans-88.5159.3166.1-64.6-121.6000109.4
76Y27.2Very low31.6Very low235 Ų235146.1 Ų146.192%0.92277%0.77SS**  trans-138.8153.8138.8-119.5-84.2000111.2
77N25.5Very low31.5Very low129 Ų129145.7 Ų145.769%0.6977%0.767SS**  trans-122.5145.3-175.1-179.121.6000108.6
78S28.7Very low31.1Very low108 Ų108148.9 Ų148.976%0.75577%0.769SS**  trans-156.380.8172.6-169.70000111.3
79H28.6Very low32.3Very low155 Ų155148.9 Ų148.972%0.71877%0.766SS**  trans-59144.1151.3-102.8-114.8000109
80F24.6Very low32.3Very low195 Ų195149.1 Ų149.186%0.85577%0.768SS**  trans-135.1120.1157.8-154-86.9000107.4
81E30Very low32.3Very low159 Ų159151.4 Ų151.474%0.74377%0.77SS**  trans-131.9144.4-176-172.1166.6-154.900107.9P83E81-P83 WeakPolarHBondContact O-CD 3.44Å
82V39Very low32.1Very low136 Ų136145.4 Ų145.482%0.82476%0.757SS**  trans-85.3132.1-167.61790000111.1
83P37.3Very low31.6Very low113 Ų113148.7 Ų148.773%0.73476%0.763SS**  trans-116.8136.5167.536.2-24000112.8E81E81-P83 WeakPolarHBondContact O-CD 3.44Å
84E28.3Very low31.4Very low185 Ų185142.8 Ų142.886%0.86476%0.758SS**  trans-146.7161.6147-136-163.6155.800112.2
85E27.8Very low31.6Very low179 Ų179141.1 Ų141.184%0.83676%0.756SS**  trans67145.1177-66.9-101.867.400117.9
86S28.7Very low31.6Very low88 Ų88142.8 Ų142.862%0.61576%0.761SS**  trans-151.9167-168.976.90000108.3
87P45.3Very low32Very low108 Ų108138.4 Ų138.470%0.70175%0.752SS**  -155.9145.262.137-14000119.1
88F29.9Very low32.4Very low188 Ų188140.3 Ų140.383%0.82576%0.762SS**  trans42.4161.1133.9-67.7-66.1000124.7
89P51.3Low32.9Very low100 Ų100146.8 Ų146.865%0.64977%0.77SS**  cis-141.1162-16.533.7-13.7000118
90S29.9Very low33.6Very low115 Ų115147.4 Ų147.480%0.80478%0.778SS**  trans67144.1146.6710000119.6
91H28.4Very low34.1Very low167 Ų167143.5 Ų143.577%0.77377%0.772SS**  -152.514452.2-169.789.4000115.3
92A31.9Very low34.7Very low73 Ų73140.8 Ų140.860%0.60378%0.777SS**  trans-21.7172161.100000120.9
93Q28.9Very low34.8Very low183 Ų183140.8 Ų140.886%0.85577%0.772SS**  cis-139.5-174.421.8-68-175.1-8.300113.9
94A30.1Very low35.3Very low83 Ų83142 Ų14269%0.68677%0.771SS**  trans-139.9178.2-173.500000114.4
95T31.9Very low36.1Very low125 Ų125140.9 Ų140.977%0.76777%0.771SS**  trans79.9155.9175.282.70000115.7
96K31.2Very low36.9Very low175 Ų175136.7 Ų136.776%0.76175%0.754SS**  cis-157.61536.8-135.3154.4-168171.50112.2
97I34.7Very low37.5Very low143 Ų143139.4 Ų139.473%0.73376%0.757SS**  trans1.8154.8160.268.9-170.9000123.1
98N35.1Very low37.2Very low169 Ų169143.5 Ų143.590%0.90476%0.764SS**  trans-152.9157.6133.5-113-43.7000113.2
99R39.3Very low37.6Very low244 Ų244143.2 Ų143.292%0.92177%0.766SS**  trans-115.4158.3-176.6-104.7-177.3174.6177.4-2.2112.1
100L41.5Very low36.8Very low167 Ų167144.8 Ų144.887%0.87476%0.762SS**  trans-73.9156.4175.7-58.4171.6000113.2
101P36.2Very low36.9Very low114 Ų114148.3 Ų148.374%0.7477%0.766SS**  trans-105.8128.1144.934.4-26000111.1N103P101-N103 PolarHBondContact O-N 3.15Å
102A42.7Very low37.5Very low102 Ų102147 Ų14784%0.84376%0.764SS**  trans-90.189.1178.200000111.1
103N41.5Very low37.6Very low136 Ų136149.3 Ų149.373%0.72777%0.773SS**  trans-157.89.4172.9-127.4-2.2000117.4P101P101-N103 PolarHBondContact O-N 3.15Å
104L46.8Very low37.9Very low137 Ų137147.5 Ų147.572%0.71777%0.768SS**SBendtrans-104.1-5-175-70.1178000115.7
105L44.4Very low37.9Very low162 Ų162150.9 Ų150.985%0.84877%0.769SS**SBendtrans-95-26.2-179.8-148.770.6000113.4Q107L105-Q107 PolarHBondContact O-N 3.08Å; L105-Q107 VanDerWaalsContact O-N 3.14Å
106D45.3Very low37.9Very low92 Ų92154.6 Ų154.649%0.49277%0.769SS.*THydrogen-bonded Turntrans-67.6-12.1178.7-161.960.9000113.5K110D106-K110 WeakPolarHBondContact OD1-CE 3.45Å; D106-K110 IonicContact OD1-NZ 3.62Å; D106-K110 PolarHBondContact OD1-NZ 3.22Å; D106-K110 IonicContact OD2-NZ 2.76Å; D106-K110 PolarHBondContact OD2-NZ 3.17Å
107Q41.1Very low37.9Very low144 Ų144153.8 Ų153.867%0.67377%0.773SS**THydrogen-bonded Turntrans-86.2-13.7-170.1-156.7171.120.300114.4L105L105-Q107 PolarHBondContact O-N 3.08Å; L105-Q107 VanDerWaalsContact O-N 3.14Å
108F38.5Very low38.1Very low194 Ų194150.2 Ų150.285%0.85177%0.771SS**SBendtrans-109.9-14.7-176.6-83.6-78.1000115.4
109E40.1Very low38Very low183 Ų183152.3 Ų152.386%0.85577%0.773SS**SBendtrans-94.8-5.8179.7-157.2164.2-149.800113
110K34Very low38Very low132 Ų132145.2 Ų145.257%0.57476%0.76SS**  trans-115.262.1-172-69.2-179.2-177.5167.50114.8D106D106-K110 WeakPolarHBondContact OD1-CE 3.45Å; D106-K110 IonicContact OD1-NZ 3.62Å; D106-K110 PolarHBondContact OD1-NZ 3.22Å; D106-K110 IonicContact OD2-NZ 2.76Å; D106-K110 PolarHBondContact OD2-NZ 3.17Å
111Q31.6Very low38.1Very low190 Ų190143.5 Ų143.589%0.88876%0.757SS**  trans-156.873.7149.8-117.316048.600114.4
112L41.1Very low38Very low138 Ų138144 Ų14472%0.72375%0.753SS**  trans-72.2151.2150.7-71.5168.6000110.1I114L112-I114 HydrophobicContact CB-CG1 4.09Å; L112-I114 WeakPolarHBondContact O-CD1 3.5Å
113P33.4Very low38Very low123 Ų123147.3 Ų147.380%0.79975%0.751SS**  -98.4125.2127.5-16.832.8000109
114I35.7Very low37.4Very low145 Ų145150.3 Ų150.374%0.74476%0.758SS**  cis70.5124.935.1-50.4174.6000112.2L112L112-I114 HydrophobicContact CB-CG1 4.09Å; L112-I114 WeakPolarHBondContact O-CD1 3.5Å
115H30.6Very low36.9Very low154 Ų154149.9 Ų149.971%0.71376%0.763SS**  cis-169.4159.4-21.8-169.9-150.8000109
116R31.1Very low36.6Very low203 Ų203154.3 Ų154.377%0.76677%0.769SS**  trans70.5143172.6-57.2-162.3170.4169.7-2.1115.7
117D31.4Very low36Very low157 Ų157153.1 Ų153.184%0.8478%0.778SS**  cis-130.6164.417.8-93.9-50.3000115
118G39.8Very low35.3Very low68 Ų68154.7 Ų154.770%0.70179%0.786SS**  trans81.584.715200000118.7
119F32.1Very low35.8Very low214 Ų214150.2 Ų150.294%0.93978%0.784SS**  trans-135.9129.6157.2-109.3-87.8000111.5
120S38.3Very low35.5Very low94 Ų94149.3 Ų149.366%0.65778%0.777SS**  trans-110.1121.1177.2-173.80000110.1L122S120-L122 PolarHBondContact O-N 3.33Å
121T45Very low36.4Very low132 Ų132148.1 Ų148.181%0.8179%0.792SS**  trans-92.381.4176.836.40000111
122L32.8Very low36.8Very low125 Ų125150 Ų15065%0.65479%0.791SS**  trans-87.2110.1164.5-60.6-179.2000108.2S120S120-L122 PolarHBondContact O-N 3.33Å
123Q43.4Very low36.8Very low171 Ų171146.7 Ų146.780%0.79979%0.79SS**  59.7101.580-67.9-168.50.800112.7
124F29.2Very low37.5Very low198 Ų198147.8 Ų147.887%0.86878%0.784SS**  trans-128.9150.5155.3-78.1-80.8000109.5
125P35.2Very low37.9Very low129 Ų129144.1 Ų144.184%0.83877%0.772SS**  trans-94.9180-154.2-6.427.8000114.9
126R39.6Very low39.1Very low255 Ų255140.6 Ų140.696%0.96276%0.763SS**  trans-94.7139175.5-171.8-179-173.3178.62110.7
127G31.1Very low40.7Very low67 Ų67131.9 Ų131.969%0.69174%0.736SS**  trans114.3144.9-178.900000111.7
128E27.7Very low42.5Very low177 Ų177133.2 Ų133.283%0.82773%0.729SS**  cis-140.9173.3-1.4-75-167.712000110.4
129A48.4Very low43.9Very low99 Ų99134.6 Ų134.682%0.81872%0.719SS**  trans-67.7135.8169.600000111.6
130K34.5Very low45.9Very low165 Ų165130.8 Ų130.872%0.71770%0.698SS**  trans-149.3107.7165-126.6151.2-168.4148.20111.9R132K130-R132 PolarHBondContact O-N 3.33Å
131A52.1Low47.5Very low106 Ų106132.9 Ų132.988%0.87670%0.698SS**  trans-63.6120.8171.800000110
132R39.6Very low49.1Very low230 Ų230132.2 Ų132.287%0.86869%0.689SS**  trans-136.2125.2163.2-75.5-175.4172.4127.5-8.2107K130K130-R132 PolarHBondContact O-N 3.33Å
133G41.5Very low51.4Low68 Ų68129.8 Ų129.870%0.70168%0.679SS**  cis172.680.9-1.500000107.6S135G133-S135 PolarHBondContact O-N 3.31Å
134E48Very low52.5Low146 Ų146127.3 Ų127.368%0.68267%0.667SS**  trans-66.599.4-175.9-174.6154.3-130.100109.1
135S45.4Very low54.6Low68 Ų68119.8 Ų119.848%0.47664%0.639SS.*  trans-55.4130-165.3177.90000110.7G133 G137 R138G133-S135 PolarHBondContact O-N 3.31Å; S135-G137 PolarHBondContact O-N 3.45Å; S135-G137 PolarHBondContact OG-N 3.3Å; S135-R138 PolarHBondContact O-N 3.43Å
136P55.8Low56.6Low81 Ų81116.7 Ų116.753%0.52662%0.618SS.*Hα-helixtrans-52.5-20.9170.8-28.536000112.8R138 I139 R140P136-R138 PolarHBondContact O-N 3.25Å; P136-I139 PolarHBondContact O-N 3.08Å; P136-R140 WeakPolarHBondContact O-CB 3.48Å; P136-R140 WeakPolarHBondContact O-CG 3.49Å; P136-R140 PolarHBondContact O-N 3.37Å
137G63.3Low58.2Low19 Ų19109.2 Ų109.220%0.19659%0.593CS.*Hα-helixtrans-52.6-46.8166.800000113.9S135 R140 H141S135-G137 PolarHBondContact O-N 3.45Å; S135-G137 PolarHBondContact OG-N 3.3Å; G137-R140 PolarHBondContact O-N 3.33Å; G137-H141 WeakPolarHBondContact O-CB 3.35Å; G137-H141 PolarHBondContact O-N 3.38Å; G137-H141 PolarHBondContact O-ND1 2.91Å
138R69.5Low59.9Low185 Ų185113.2 Ų113.270%0.69859%0.588SS**Hα-helixtrans-65.1-46.2179-88.8-172.5173.9179.7-1.5112.1S135 P136 H141 L142S135-R138 PolarHBondContact O-N 3.43Å; P136-R138 PolarHBondContact O-N 3.25Å; R138-H141 PolarHBondContact O-N 3.47Å; R138-L142 WeakPolarHBondContact O-CB 3.33Å; R138-L142 PolarHBondContact O-N 2.88Å
139I69.9Low61.8Low97 Ų97110 Ų11050%0.49758%0.576SS.*Hα-helixtrans-64.7-44.7178.6-57.7175.3000109.9P136 H141 L142 V143P136-I139 PolarHBondContact O-N 3.08Å; I139-H141 PolarHBondContact O-N 3.38Å; I139-L142 PolarHBondContact O-N 3.43Å; I139-V143 HydrophobicContact CG2-CG2 4.4Å; I139-V143 WeakPolarHBondContact O-CB 3.19Å; I139-V143 WeakPolarHBondContact O-CG2 3.29Å; I139-V143 PolarHBondContact O-N 3.35Å
140R73.6Confident62.4Low134 Ų134113 Ų11351%0.50657%0.571SS.*Hα-helixtrans-55-47.7171.5-74.9-173.5-78.7-156.34.2111.1P136 G137 L142 V143 H144 D976P136-R140 WeakPolarHBondContact O-CB 3.48Å; P136-R140 WeakPolarHBondContact O-CG 3.49Å; P136-R140 PolarHBondContact O-N 3.37Å; G137-R140 PolarHBondContact O-N 3.33Å; R140-L142 PolarHBondContact O-N 3.41Å; R140-V143 PolarHBondContact O-N 3.13Å; R140-H144 VanDerWaalsContact O-CB 3.31Å; R140-H144 WeakPolarHBondContact O-CB 3.29Å; R140-H144 PolarHBondContact O-N 3.32Å; R140-D976 IonicContact CZ-OD2 2.8Å; R140-D976 VanDerWaalsContact CZ-OD2 3.29Å; R140-D976 IonicContact NH1-OD1 2.68Å; R140-D976 IonicContact NH1-OD2 2.71Å; R140-D976 PolarHBondContact NH1-OD2 3.37Å; R140-D976 IonicContact NH2-OD2 3.92Å; R140-D976 PolarHBondContact NH2-OD2 3.5Å
141H71.1Confident63.4Low138 Ų138113 Ų11364%0.63957%0.571SS**Hα-helixtrans-66.3-35.7178.8-79.766.6000113.7G137 R138 I139 S145G137-H141 WeakPolarHBondContact O-CB 3.35Å; G137-H141 PolarHBondContact O-N 3.38Å; G137-H141 PolarHBondContact O-ND1 2.91Å; R138-H141 PolarHBondContact O-N 3.47Å; I139-H141 PolarHBondContact O-N 3.38Å; H141-S145 VanDerWaalsContact O-CB 3.28Å; H141-S145 WeakPolarHBondContact O-CB 3.42Å; H141-S145 PolarHBondContact O-N 2.95Å; H141-S145 PolarHBondContact O-OG 3.05Å
142L80.3Confident63.2Low119 Ų119113.2 Ų113.262%0.62356%0.561SS**Hα-helixtrans-66.8-52.6175.5-17267.1000110R138 I139 R140 H144 S145 V146R138-L142 WeakPolarHBondContact O-CB 3.33Å; R138-L142 PolarHBondContact O-N 2.88Å; I139-L142 PolarHBondContact O-N 3.43Å; R140-L142 PolarHBondContact O-N 3.41Å; L142-H144 VanDerWaalsContact C-N 3.33Å; L142-H144 PolarHBondContact O-N 2.7Å; L142-S145 PolarHBondContact O-N 3.42Å; L142-V146 WeakPolarHBondContact O-CG2 3.42Å; L142-V146 PolarHBondContact O-N 3.26Å
143V79.4Confident63.3Low73 Ų73108.1 Ų108.144%0.44255%0.546SS..Hα-helixtrans-57.9-43.5176.2173.70000111.3I139 R140 S145 V146 Q147I139-V143 HydrophobicContact CG2-CG2 4.4Å; I139-V143 WeakPolarHBondContact O-CB 3.19Å; I139-V143 WeakPolarHBondContact O-CG2 3.29Å; I139-V143 PolarHBondContact O-N 3.35Å; R140-V143 PolarHBondContact O-N 3.13Å; V143-S145 PolarHBondContact O-N 3.31Å; V143-V146 PolarHBondContact O-N 2.95Å; V143-Q147 HydrophobicContact CG1-CG 4.36Å; V143-Q147 VanDerWaalsContact O-CB 3.29Å; V143-Q147 WeakPolarHBondContact O-CB 3.38Å; V143-Q147 WeakPolarHBondContact O-CG 3.36Å; V143-Q147 PolarHBondContact O-N 2.68Å
144H67.5Low63.2Low119 Ų119107.9 Ų107.955%0.55154%0.537SS*.Hα-helixtrans-69.3-20.6177.7-131-37.6000113.5R140 L142 R148R140-H144 VanDerWaalsContact O-CB 3.31Å; R140-H144 WeakPolarHBondContact O-CB 3.29Å; R140-H144 PolarHBondContact O-N 3.32Å; L142-H144 VanDerWaalsContact C-N 3.33Å; L142-H144 PolarHBondContact O-N 2.7Å; H144-R148 WeakPolarHBondContact O-CB 3.47Å; H144-R148 WeakPolarHBondContact O-CG 3.42Å; H144-R148 PolarHBondContact O-N 3.39Å; H144-R148 PolarHBondContact O-NE 3.27Å; H144-R148 VanDerWaalsContact O-NE 3.07Å
145S73.8Confident62.9Low40 Ų40107.8 Ų107.828%0.2855%0.549SS..Hα-helixtrans-88.8-37.1176-57.90000111.7H141 L142 V143 R148 L149H141-S145 VanDerWaalsContact O-CB 3.28Å; H141-S145 WeakPolarHBondContact O-CB 3.42Å; H141-S145 PolarHBondContact O-N 2.95Å; H141-S145 PolarHBondContact O-OG 3.05Å; L142-S145 PolarHBondContact O-N 3.42Å; V143-S145 PolarHBondContact O-N 3.31Å; S145-R148 PolarHBondContact O-N 2.81Å; S145-R148 PolarHBondContact OG-NH2 2.89Å; S145-L149 WeakPolarHBondContact O-CG 3.44Å; S145-L149 PolarHBondContact O-N 2.85Å
146V76.8Confident62.3Low65 Ų65110.1 Ų110.139%0.39457%0.565SS.*Hα-helixtrans-63.3-49.2168.7172.30000110.3L142 V143 R148 L149 F150L142-V146 WeakPolarHBondContact O-CG2 3.42Å; L142-V146 PolarHBondContact O-N 3.26Å; V143-V146 PolarHBondContact O-N 2.95Å; V146-R148 VanDerWaalsContact C-N 3.3Å; V146-R148 PolarHBondContact O-N 3.1Å; V146-L149 WeakPolarHBondContact O-CB 3.43Å; V146-L149 PolarHBondContact O-N 3.39Å; V146-L149 VanDerWaalsContact O-N 3.11Å; V146-F150 HydrophobicContact CG1-CD2 3.77Å; V146-F150 HydrophobicContact CG1-CE2 3.88Å; V146-F150 WeakPolarHBondContact O-CD2 3.5Å; V146-F150 PolarHBondContact O-N 3Å
147Q73.3Confident61.4Low97 Ų97114.1 Ų114.145%0.45358%0.581SS.*Hα-helixtrans-57.6-41.7173.2-79.1-178.3-29.400111.8V143 F150 F151V143-Q147 HydrophobicContact CG1-CG 4.36Å; V143-Q147 VanDerWaalsContact O-CB 3.29Å; V143-Q147 WeakPolarHBondContact O-CB 3.38Å; V143-Q147 WeakPolarHBondContact O-CG 3.36Å; V143-Q147 PolarHBondContact O-N 2.68Å; Q147-F150 PolarHBondContact O-N 2.81Å; Q147-F151 WeakPolarHBondContact O-CB 3.37Å; Q147-F151 WeakPolarHBondContact O-CD2 3.5Å; Q147-F151 PolarHBondContact O-N 2.73Å
148R65.9Low60Low151 Ų151122.2 Ų122.257%0.5761%0.614SS**Hα-helixtrans-61.9-46.6173.3-80.7-179.6-601555.3111.8H144 S145 V146 F150 F151 T152H144-R148 WeakPolarHBondContact O-CB 3.47Å; H144-R148 WeakPolarHBondContact O-CG 3.42Å; H144-R148 PolarHBondContact O-N 3.39Å; H144-R148 PolarHBondContact O-NE 3.27Å; H144-R148 VanDerWaalsContact O-NE 3.07Å; S145-R148 PolarHBondContact O-N 2.81Å; S145-R148 PolarHBondContact OG-NH2 2.89Å; V146-R148 VanDerWaalsContact C-N 3.3Å; V146-R148 PolarHBondContact O-N 3.1Å; R148-F150 PolarHBondContact O-N 2.88Å; R148-F151 PolarHBondContact O-N 3.45Å; R148-T152 WeakPolarHBondContact O-CB 3.42Å; R148-T152 VanDerWaalsContact O-CG2 3.26Å; R148-T152 WeakPolarHBondContact O-CG2 3.38Å; R148-T152 PolarHBondContact O-N 3.21Å; R148-T152 PolarHBondContact O-OG1 3.46Å
149L67.9Low58.2Low110 Ų110116.5 Ų116.558%0.57661%0.612SS**Hα-helixtrans-56.8-46.2177.3-76.7161.9000112.1S145 V146 T152S145-L149 WeakPolarHBondContact O-CG 3.44Å; S145-L149 PolarHBondContact O-N 2.85Å; V146-L149 WeakPolarHBondContact O-CB 3.43Å; V146-L149 PolarHBondContact O-N 3.39Å; V146-L149 VanDerWaalsContact O-N 3.11Å; L149-T152 PolarHBondContact O-OG1 3.4Å; L149-T152 VanDerWaalsContact O-OG1 3.07Å
150F62.3Low56.4Low162 Ų162118.9 Ų118.971%0.71163%0.632SS**Hα-helixtrans-71.3-43.9178.3-80.7-81.3000113.2V146 Q147 R148 T152 K153V146-F150 HydrophobicContact CG1-CD2 3.77Å; V146-F150 HydrophobicContact CG1-CE2 3.88Å; V146-F150 WeakPolarHBondContact O-CD2 3.5Å; V146-F150 PolarHBondContact O-N 3Å; Q147-F150 PolarHBondContact O-N 2.81Å; R148-F150 PolarHBondContact O-N 2.88Å; F150-T152 VanDerWaalsContact C-N 3.32Å; F150-T152 PolarHBondContact O-N 2.95Å; F150-K153 PolarHBondContact O-N 3.46Å; F150-K153 VanDerWaalsContact O-N 3.16Å
151F53.9Low54.5Low166 Ų166117.7 Ų117.773%0.72865%0.651SS**Hα-helixtrans-71-22.3176.7-86.6-92.7000113.7Q147 R148 K153Q147-F151 WeakPolarHBondContact O-CB 3.37Å; Q147-F151 WeakPolarHBondContact O-CD2 3.5Å; Q147-F151 PolarHBondContact O-N 2.73Å; R148-F151 PolarHBondContact O-N 3.45Å; F151-K153 VanDerWaalsContact C-N 3.26Å; F151-K153 PolarHBondContact O-N 2.71Å
152T47.5Very low52.6Low110 Ų110114.9 Ų114.968%0.67566%0.659SS**THydrogen-bonded Turntrans-78-5.617155.40000114R148 L149 F150R148-T152 WeakPolarHBondContact O-CB 3.42Å; R148-T152 VanDerWaalsContact O-CG2 3.26Å; R148-T152 WeakPolarHBondContact O-CG2 3.38Å; R148-T152 PolarHBondContact O-N 3.21Å; R148-T152 PolarHBondContact O-OG1 3.46Å; L149-T152 PolarHBondContact O-OG1 3.4Å; L149-T152 VanDerWaalsContact O-OG1 3.07Å; F150-T152 VanDerWaalsContact C-N 3.32Å; F150-T152 PolarHBondContact O-N 2.95Å
153K42.7Very low50.3Low123 Ų123119.4 Ų119.454%0.53567%0.674SS.*THydrogen-bonded Turntrans-102.737.9171-162.1160.6174.4172.80112.4F150 F151 R219 S220F150-K153 PolarHBondContact O-N 3.46Å; F150-K153 VanDerWaalsContact O-N 3.16Å; F151-K153 VanDerWaalsContact C-N 3.26Å; F151-K153 PolarHBondContact O-N 2.71Å; K153-R219 PolarHBondContact NZ-O 3.15Å; K153-S220 VanDerWaalsContact NZ-CB 3.26Å; K153-S220 PolarHBondContact NZ-OG 3.36Å
154A39.2Very low47.9Very low63 Ų63122.7 Ų122.752%0.52169%0.694SS.*SBendtrans-114.8137158.600000108.9S156A154-S156 PolarHBondContact O-N 2.83Å
155P42Very low46.1Very low143 Ų143120.6 Ų120.693%0.92970%0.704SS**  trans-76.187.3-174.530.6-35.1000111.8
156S32.4Very low43.9Very low117 Ų117122.2 Ų122.282%0.81873%0.727SS**  trans-103.6115.4168.1-169.20000110.2A154A154-S156 PolarHBondContact O-N 2.83Å
157L37.3Very low41.6Very low165 Ų165127.7 Ų127.786%0.86475%0.754SS**  trans-79.2120.9-179.8179.971.8000111.1
158E33.1Very low39.4Very low190 Ų190126.8 Ų126.889%0.88877%0.771SS**  trans155.1160.6143.2-88-165.8129.600111.8
159G31.6Very low37.7Very low64 Ų64125.1 Ų125.166%0.6678%0.782SS**  trans127.430.9151.400000122.6
160T32.4Very low36Very low148 Ų148129.5 Ų129.591%0.90880%0.797SS**  trans56.4126.5154.755.70000121.2
161A34.7Very low34.5Very low109 Ų109131.7 Ų131.790%0.90181%0.806SS**  trans-85.3163.1169.500000113.7
162G30.9Very low33.2Very low79 Ų79127.7 Ų127.781%0.81481%0.812SS**  trans-176.787.5172.700000116.1
163K30.8Very low32.2Very low214 Ų214126 Ų12693%0.9382%0.817SS**  trans-125.5108.4162.4-170.2176-177.2-179.10108.8
164V29.8Very low31.5Very low142 Ų142129.6 Ų129.686%0.86184%0.837SS**  trans-84.4125.2-179.8173.80000109.8
165G29.6Very low31Very low75 Ų75135.3 Ų135.377%0.77385%0.853SS**  trans-103.2143.8153.400000108.8
166G27.2Very low30.5Very low74 Ų74134.8 Ų134.876%0.76384%0.843SS**  trans-155.6110.7-179.300000112.2
167N28.8Very low30.6Very low179 Ų179132.4 Ų132.496%0.95784%0.837SS**  trans-88.8142.2165.9-88.5-11.3000109.7
168G27.5Very low30.6Very low79 Ų79133.5 Ų133.581%0.81484%0.835SS**  trans-166.9100.8177.100000112.5
169S30.7Very low30.4Very low115 Ų115127.9 Ų127.980%0.80483%0.827SS**  trans-94.8131.8-176.7-55.10000112.7
170K31.5Very low30.7Very low202 Ų202136.5 Ų136.588%0.87884%0.84SS**  trans-179.6109133.3-100.4159.2-175.5177.50115.3
171K31.4Very low30.7Very low208 Ų208141.3 Ų141.390%0.90484%0.842SS**  48.7114.4124.3-162.1178-174.3-179.10120.7
172G26.6Very low30.6Very low83 Ų83140.8 Ų140.886%0.85684%0.837SS**  trans101.4146.3158.800000114.8
173G26.8Very low30.7Very low75 Ų75146.3 Ų146.377%0.77384%0.839SS**  cis161.3155.5-6.600000112.5
174M27.9Very low30.5Very low197 Ų197141.2 Ų141.297%0.9783%0.83SS**  trans76.6165-178.9-13165.2163.800116.9
175E28Very low30.8Very low183 Ų183141.3 Ų141.386%0.85582%0.819SS**  trans-121.5-165-153.6-56.9-164.587.400115.9
176D31.5Very low30.7Very low133 Ų133143.4 Ų143.471%0.71181%0.809SS**  trans80.8129.2167.9-95.6-46.4000118.9K178D176-K178 IonicContact OD1-NZ 2.69Å; D176-K178 PolarHBondContact OD1-NZ 3.07Å; D176-K178 IonicContact OD2-NZ 3.89Å
177G34.6Very low30.7Very low67 Ų67149.7 Ų149.769%0.69181%0.809SS**  cis171.3161.6-12.700000119.3
178K37.8Very low30.7Very low188 Ų188145.1 Ų145.182%0.81780%0.796SS**  trans76.9107.4147.2-56.9-178.9177.8830121.5D176D176-K178 IonicContact OD1-NZ 2.69Å; D176-K178 PolarHBondContact OD1-NZ 3.07Å; D176-K178 IonicContact OD2-NZ 3.89Å
179G28.7Very low30.8Very low71 Ų71150.8 Ų150.873%0.73280%0.799SS**  151.4139.2123.400000117
180R38.4Very low30.6Very low245 Ų245150.4 Ų150.493%0.92580%0.802SS**  cis-160.9170.5-7.9-84-163.1177.8-144.71110.7
181R31Very low30.4Very low250 Ų250144.2 Ų144.294%0.94380%0.796SS**  trans78.5143166.6-160.9174.4-177171.90.9113.7
182A32.4Very low30.5Very low97 Ų97142.2 Ų142.280%0.80279%0.79SS**  cis-120.8-158.5-2.500000112
183K33.2Very low31Very low195 Ų195143.7 Ų143.785%0.84879%0.785SS**  trans-162.2129-178-179.3175.9177.9178.10116.5
184S27.7Very low31.1Very low108 Ų108147.6 Ų147.676%0.75578%0.78SS**  trans-171.2143.6146-170.50000108.9
185K35.7Very low31.2Very low143 Ų143147 Ų14762%0.62277%0.767SS**  cis94.853.92.5-147.2-93.899.2-136.70118.4
186E26.2Very low31.3Very low120 Ų120148.2 Ų148.256%0.56176%0.764SS**  trans-159.7160.2152.7-82.1-5755.500108.5
187R29Very low31.1Very low205 Ų205146.9 Ų146.977%0.77477%0.765SS**  cis-170.4127.3-20.5171154.9163.5176.7-3.8112.9
188A28.7Very low31.1Very low83 Ų83154.8 Ų154.869%0.68677%0.774SS**  trans65.2137.9158.900000121.9
189K29.9Very low30.7Very low199 Ų199150.5 Ų150.587%0.86577%0.768SS**  trans52.2119145-63.5177.5179.6-175.50119.1
190A26.1Very low30.8Very low106 Ų106153.9 Ų153.988%0.87677%0.769SS**  78.1121.156.200000114.3
191G27.3Very low30.6Very low73 Ų73150.1 Ų150.175%0.75377%0.765SS**  trans156.691.7174.500000114.2
192E33Very low30.6Very low166 Ų166143.3 Ų143.378%0.77676%0.756SS**  trans-64.9136.4136.2-110-127.110100106.1K194E192-K194 PolarHBondContact OE1-N 3.31Å
193P36.3Very low30.7Very low114 Ų114141.9 Ų141.974%0.7475%0.75SS**  -147.9130.78934.7-16.3000115.8
194K28.6Very low30.6Very low156 Ų156143.2 Ų143.268%0.67875%0.751SS**  33.3113.8109.4-158.3165.9-168.71570117.5E192E192-K194 PolarHBondContact OE1-N 3.31Å
195R30.1Very low30.9Very low186 Ų186148.1 Ų148.170%0.70275%0.752SS**  169.5139.1114-94.4-179.2-161-82.66.9114.8
196R30.7Very low30.4Very low208 Ų208146.3 Ų146.379%0.78576%0.758SS**  trans68148.6150.1-69.6-174.1-145.9106.1-12.6117
197S28.4Very low30.5Very low104 Ų104145.3 Ų145.373%0.72776%0.764SS**  cis-165.7174.4-18-163.50000110.2
198R32.9Very low30.5Very low233 Ų233142 Ų14288%0.87976%0.762SS**  trans73.698.3165.4-64.6-176.2174.2162.6-1.6117.6
199S31.3Very low30.8Very low99 Ų99144.8 Ų144.869%0.69277%0.765SS**  trans-40.9154.814353.30000114.7
200N30.6Very low30.7Very low142 Ų142141 Ų14176%0.75975%0.754SS**  -167156.6104.4-98.33.3000114.3
201I33.3Very low31.2Very low165 Ų165143.2 Ų143.285%0.84675%0.751SS**  trans80.4124.1155.5-102.1166.3000120
202S32.3Very low31.3Very low108 Ų108147.6 Ų147.676%0.75576%0.757SS**  trans-79.8158.9162.345.60000110.8
203G33Very low31.2Very low66 Ų66142.8 Ų142.868%0.6875%0.752SS**  cis109.491.113.200000111.1
204W31.4Very low31Very low224 Ų224146.6 Ų146.685%0.84876%0.759SS**  trans-169.9139.6-174.3-11628.6000111.2
205W33.2Very low31.1Very low210 Ų210143.9 Ų143.980%0.79577%0.766SS**  trans55.6147.9175.4-4391.4000117.2
206S26.3Very low31.1Very low105 Ų105138.6 Ų138.673%0.73477%0.77SS**  cis67.777-9.1-163.90000119.4
207S27.2Very low31.2Very low99 Ų99133.2 Ų133.269%0.69277%0.77SS**  -168.3170.6113.1-121.50000111.8
208D30.4Very low31.3Very low137 Ų137137.6 Ų137.673%0.73378%0.776SS**  trans-0.7154.5153-53.6-91.9000119.1
209D33.8Very low31.2Very low140 Ų140136.9 Ų136.975%0.74977%0.773SS**  cis-160.8178.639.3-153.9-24000113.5
210N29.4Very low31.2Very low120 Ų120136 Ų13664%0.64277%0.767SS**  trans90.7112.5158.6-85.7-90.2000121.9
211L35.6Very low31.1Very low152 Ų152134.4 Ų134.480%0.79677%0.767SS**  trans8598.7142.1-56.5-178.9000122.6
212D30.2Very low31.1Very low166 Ų166129.7 Ų129.789%0.88876%0.759SS**  83.9151.6116.4-155.615.5000120.8
213G30.1Very low32.2Very low64 Ų64130.6 Ų130.666%0.6676%0.762SS**  trans121.182.916700000118.3
214E32.7Very low32.2Very low194 Ų194132.1 Ų132.191%0.90777%0.769SS**  trans14.3142.6157.6-70-147.9120.700123.5
215A30.4Very low32.5Very low99 Ų99127.2 Ų127.282%0.81877%0.769SS**  175.6140.9105.600000116.2
216G30.3Very low32.4Very low75 Ų75120.2 Ų120.277%0.77376%0.761SS**  trans76.388.3149.500000118.2
217A32.8Very low32.8Very low95 Ų95121.2 Ų121.279%0.78576%0.758SS**  68.9128.766.300000116.8
218F29.9Very low32.8Very low197 Ų197124.3 Ų124.386%0.86476%0.763SS**  -160.6164.4124.7-117.5-79.1000112
219R30.4Very low32.9Very low218 Ų218123 Ų12382%0.82376%0.76SS**  trans-128.8150-168.4-64.1177.8170.8-115.27115.5K153K153-R219 PolarHBondContact NZ-O 3.15Å
220S31.3Very low32.8Very low80 Ų80124.5 Ų124.556%0.55977%0.767SS**  trans108.4132.3138.9-49.40000120.1K153K153-S220 VanDerWaalsContact NZ-CB 3.26Å; K153-S220 PolarHBondContact NZ-OG 3.36Å
221S28.9Very low32.7Very low109 Ų109121.8 Ų121.876%0.76277%0.768SS**  trans64.5128.8130.165.50000122.1
222G34.6Very low32.4Very low65 Ų65126.9 Ų126.967%0.6778%0.776SS**  trans-75.9-149.5148.400000112.2
223P53.8Low32.1Very low127 Ų127128.1 Ų128.183%0.82578%0.777SS**  cis-138.7-172.215.143.9-26.2000116.2
224A33.8Very low32Very low99 Ų99129.7 Ų129.782%0.81878%0.783SS**  trans70.5154.9152.800000119.8
225S36.6Very low31.6Very low121 Ų121129.3 Ų129.385%0.84678%0.782SS**  cis-172.9142.1-19.71720000112.6
226G32.2Very low31.5Very low62 Ų62135.7 Ų135.764%0.63979%0.785SS**  trans106.8142.2132.600000122.5
227L34Very low31.2Very low126 Ų126137.6 Ų137.666%0.6679%0.786SS**  trans70.4147.4154.8-70.8147.4000117.3
228M27.1Very low30.8Very low165 Ų165141.5 Ų141.581%0.81379%0.788SS**  cis-137.1147.110.9-71.6-168.8-171.400109.9
229T33.3Very low31.3Very low109 Ų109136.8 Ų136.867%0.66978%0.778SS**  84.690.350.5-51.70000115.5
230L31.6Very low31.1Very low172 Ų172138.3 Ų138.390%0.90178%0.783SS**  170.5124.2123.1-102159.7000116.8
231G26.1Very low30.8Very low63 Ų63144.7 Ų144.765%0.64980%0.797SS**  82.8105.512200000121.9
232R30.7Very low30.5Very low259 Ų259148.1 Ų148.198%0.97780%0.798SS**  -171.4167.5100.2-97.2172.6-165.8-81.1-2.1111.3
233Q23.6Very low30.3Very low191 Ų191152 Ų15289%0.89380%0.801SS**  trans-111.4147.5-175.4-169.7-160.630.800111
234A27.6Very low29Very low97 Ų97155.6 Ų155.680%0.80281%0.806SS**  trans-144.7173.215900000109.4
235E24.9Very low28.6Very low187 Ų187154.3 Ų154.387%0.87480%0.795SS**  trans-98.3-176.1-159.4-137.4-161.9141.700116.2
236R26.9Very low28.1Very low232 Ų232158.8 Ų158.888%0.87580%0.795SS**  trans-75.2140.7178.3-65.7169.7163.3-173.9-5.1112.5
237S25.1Very low27.9Very low116 Ų116162.3 Ų162.381%0.81180%0.799SS**  trans-160.5142.6135.853.50000111.7
238Q24.9Very low27.7Very low176 Ų176162.4 Ų162.482%0.82281%0.805SS**  trans-99.8-176.7173.8-81.7-82.12000109
239P40Very low27.9Very low99 Ų99162 Ų16264%0.64381%0.805SS**  -119.4171.2-107.533.7-13.4000114
240R26.2Very low27.7Very low250 Ų250162.7 Ų162.794%0.94381%0.814SS**  trans-161.3167.7148-128.1163.7-86.9157.8-10114.3
241Y24.6Very low27.5Very low213 Ų213157.9 Ų157.984%0.83581%0.806SS**  trans-101.1167.7-164.4-102.2-93.7000114.4
242F24Very low27.8Very low182 Ų182162.7 Ų162.780%0.79881%0.812SS**  trans83.1167.4150.9-107.9-87.5000120.4
243M29.9Very low27.8Very low146 Ų146157.9 Ų157.972%0.71980%0.802SS**  trans-135.8131-144.3168.7-174.772.100109.6
244H26.5Very low28.5Very low203 Ų203154.9 Ų154.994%0.9479%0.791SS**  trans-155.6161.4157.5-94.3-61.8000110.3
245A24.2Very low28.7Very low72 Ų72159.9 Ų159.960%0.59580%0.795SS**  trans-119.8161.2-17200000112
246Y26.1Very low28.7Very low215 Ų215154.8 Ų154.884%0.84379%0.785SS**  174.7136.5111.1-90.7-64.4000113.7
247N28.4Very low28.7Very low135 Ų135150 Ų15072%0.72278%0.781SS**  trans3141.5159.9-62.3-39.9000122.6
248T30.2Very low28.9Very low128 Ų128154.1 Ų154.179%0.78579%0.785SS**  -170114.1103.6200000116.6
249I30.8Very low29Very low156 Ų156152.2 Ų152.280%0.878%0.781SS**  trans36.6118.9133.4-46.6170.2000121.1
250S29.2Very low28.4Very low124 Ų124154.5 Ų154.587%0.86779%0.787SS**  163.2151.7110.4-163.10000113.7
251G28.3Very low28.6Very low71 Ų71148 Ų14873%0.73278%0.775SS**  trans126.160.5160.600000121.2
252H32.3Very low28.9Very low165 Ų165143.6 Ų143.676%0.76477%0.771SS**  trans-12.9156.1149.5-94.6-107.4000120.7
253M29.3Very low29.2Very low158 Ų158142.1 Ų142.178%0.77877%0.767SS**  cis-148.1124.226.6-62.9179.469.400117.1
254L39.4Very low29.5Very low128 Ų128141.7 Ų141.767%0.6777%0.766SS**  trans39.7121.8132-60.9177.1000124.8
255K31.1Very low29.6Very low201 Ų201137.6 Ų137.687%0.87476%0.756SS**  178.3171113.3-89.7141.8-156.1163.90110.5
256A26.5Very low30Very low81 Ų81138.6 Ų138.667%0.66976%0.764SS**  cis175.3150.4-35.400000108
257T26.9Very low31.3Very low130 Ų130133.9 Ų133.980%0.79876%0.76SS**  cis-170.8159.6-11.526.40000108.9
258K28.7Very low32.9Very low203 Ų203132.9 Ų132.988%0.88376%0.76SS**  trans71.4150.8171-96178.7176.6176.70116.5
259N26.9Very low34Very low137 Ų137132.2 Ų132.273%0.73376%0.758SS**  cis-145.8-167.71.261.5-9.8000112.9
260N27.3Very low35.4Very low147 Ų147130 Ų13079%0.78675%0.754SS**  trans-157.1164.9-158.3-47.891.8000110.8
261T29.4Very low36.7Very low112 Ų112129.4 Ų129.469%0.68775%0.747SS**  cis-178.4171.4-23-170.90000110.4
262T32.8Very low37.1Very low121 Ų121130.5 Ų130.574%0.74275%0.749SS**  trans63157.5163.757.70000120
263E29.5Very low37.8Very low152 Ų152128.2 Ų128.271%0.7175%0.749SS**  cis-171.9162-15.4-94.5-102.6101.600110.4
264L34.9Very low39Very low137 Ų137126.1 Ų126.172%0.71775%0.747SS**  trans21.9160.7148.5-52.5-178000124.9
265T30Very low38.6Very low117 Ų117124.3 Ų124.372%0.71875%0.751SS**  cis-175.6132.4-22.6-87.10000114.5
266A32.1Very low38.4Very low92 Ų92121.2 Ų121.276%0.7675%0.749SS**  trans62.4-169.3146.400000123.5
267P54Low38.3Very low117 Ų117122.8 Ų122.876%0.7675%0.754SS**  -135.3-142.3-127.140.6-14.1000114
268P60.7Low39.1Very low113 Ų113122.4 Ų122.473%0.73475%0.754SS**  cis-119.9-113.1-26.227.6-2.2000112
269P53.4Low39.1Very low114 Ų114117.4 Ų117.474%0.7474%0.744SS**  cis-117.3-90.7-45.721.62.8000120.9
270P61.7Low39.2Very low110 Ų110118.8 Ų118.871%0.71475%0.751SS**  trans-132.9-144-145.145.6-22.9000114.2
271P55.8Low39.1Very low111 Ų111115.5 Ų115.572%0.72175%0.751SS**  cis-140.9159.5-18.439.4-19.7000119.6
272A35.5Very low39.1Very low94 Ų94117.3 Ų117.378%0.77776%0.762SS**  trans66.4-172.213800000123
273P49.1Very low38.8Very low118 Ų118115 Ų11577%0.76676%0.763SS**  -126.5-146-81.343.5-27.2000112.2
274P54.2Low38.9Very low113 Ų113113.6 Ų113.673%0.73476%0.764SS**  cis-139.4-173.6-16.143.2-24.5000117.3
275A29.4Very low38.5Very low91 Ų91113.2 Ų113.275%0.75276%0.763SS**  trans74.6152.3148.600000121.4
276T26.9Very low38.6Very low135 Ų135113 Ų11383%0.82876%0.762SS**  cis-144.2155.48.5-44.30000113
277C25.3Very low38.3Very low114 Ų114115.9 Ų115.977%0.7776%0.764SS**  trans-77.5-173.5176.6-49.50000113.4
278P44.3Very low37.1Very low122 Ų122120.3 Ų120.379%0.79277%0.767SS**  cis-131.2-156.55.740.5-17.2000113
279S27Very low35.6Very low98 Ų98119.9 Ų119.969%0.68576%0.762SS**  cis-160.4172.310-149.70000115.3
280L29Very low34.5Very low167 Ų167123.1 Ų123.187%0.87477%0.765SS**  trans9.8133.8155.8-76.7160.5000123.1
281G26.4Very low33.2Very low77 Ų77129.3 Ų129.379%0.79477%0.774SS**  trans167.9108.215700000113
282V30.1Very low31.9Very low151 Ų151127.4 Ų127.492%0.91577%0.774SS**  trans-112.4139.5180173.60000110.6
283G25.8Very low31.7Very low73 Ų73128 Ų12875%0.75377%0.773SS**  trans-176.1148.3172.800000111.4
284T30.2Very low30.7Very low121 Ų121133.9 Ų133.974%0.74278%0.78SS**  trans-117175.4-167540000114.1
285D26.8Very low29.7Very low129 Ų129133.1 Ų133.169%0.6978%0.777SS**  trans77.493.2152.9-52.5-44.5000121.9
286T32.9Very low29.9Very low113 Ų113134.6 Ų134.669%0.69378%0.777SS**  37.9120125.962.30000121.7
287N25.9Very low30Very low152 Ų152136.4 Ų136.481%0.81378%0.781SS**  trans-156.8125.7137.8-92.5-72.4000107
288Y28Very low30.8Very low210 Ų210137 Ų13782%0.82478%0.781SS**  57.913470.6-75.1-53.2000113.8
289V29Very low30.1Very low104 Ų104138.8 Ų138.863%0.6378%0.783SS**  cis-163155.615.882.50000114.3
290K31.4Very low30.1Very low183 Ų183139.6 Ų139.680%0.79679%0.789SS**  trans66161.8160.1-78.1160-172.5165.50118
291R34.6Very low30.3Very low240 Ų240140.4 Ų140.491%0.90679%0.787SS**  cis-151.3148.216.5-164.4-172.6-80.7-136.31.6113.4
292G28.9Very low30.5Very low70 Ų70141.6 Ų141.672%0.72279%0.79SS**  trans12096.8158.100000113.7
293S29.8Very low30.8Very low108 Ų108143.1 Ų143.176%0.75579%0.787SS**  79.210457.7-173.60000114.4
294W29.5Very low31.7Very low241 Ų241146.8 Ų146.891%0.91378%0.784SS**  -166.2168.7115.9-105.783.9000107.7
295S32.2Very low31.6Very low96 Ų96147.9 Ų147.967%0.67179%0.79SS**  trans-153.1149.4-164.7-64.70000116.5
296T33.5Very low31.6Very low122 Ų122146.5 Ų146.575%0.74879%0.79SS**  trans56.1132.1148.953.20000121.2
297L29Very low31.3Very low174 Ų174148.4 Ų148.491%0.91179%0.791SS**  trans-132.2144.9130.9-86.4178.2000110
298T41.8Very low31.2Very low125 Ų125148.9 Ų148.977%0.76779%0.786SS**  trans-142.2151.9171.551.40000108.7
299L29.5Very low31.1Very low161 Ų161144.7 Ų144.784%0.84378%0.782SS**  trans-155.4137.8162.6-148.879.9000111.4
300S28.3Very low31.2Very low115 Ų115144.7 Ų144.780%0.80479%0.787SS**  trans-122.7149.7170.2-56.20000108.9
301H32.9Very low31.3Very low183 Ų183140.4 Ų140.485%0.84779%0.786SS**  trans-83.7164.8176.6-84.949.3000112.7
302A31.3Very low31Very low102 Ų102134.6 Ų134.684%0.84378%0.777SS**  trans-123.1170.4169.200000110.4
303H35.5Very low31.3Very low184 Ų184138.2 Ų138.285%0.85278%0.779SS**  trans-89.9170-161.4-151.8-89.9000115.9
304E45.7Very low31.1Very low150 Ų150139.3 Ų139.370%0.70178%0.776SS**  trans-90150.6-174.1172.9-179.1-136.900114.8
305V27.5Very low31.3Very low143 Ų143134.8 Ų134.887%0.86776%0.763SS**  trans-167149.3142133.80000112.1
306C27.2Very low31.1Very low101 Ų101135.7 Ų135.768%0.68277%0.769SS**  trans-83.7151.2-167.1-530000117.5
307Q25.1Very low31Very low153 Ų153137 Ų13772%0.71577%0.771SS**  -179.6146.3101-99.6-171.881.600116.1
308K25Very low31Very low161 Ų161136.3 Ų136.370%0.777%0.767SS**  trans63.8105.6149.5-83.6172-177.9135.20121.2
309T26.2Very low30.2Very low122 Ų122139 Ų13975%0.74877%0.768SS**  76.5143.798.757.60000116.8
310S31.3Very low30.4Very low105 Ų105136.5 Ų136.573%0.73476%0.764SS**  cis-175158.1-8.1-96.80000112.6
311A32.1Very low30.5Very low93 Ų93140.1 Ų140.177%0.76977%0.766SS**  trans62175.9157.200000117
312T28.3Very low30.4Very low118 Ų118135.6 Ų135.672%0.72476%0.755SS**  cis-122.7162.3-9.244.60000109.6
313L35.9Very low30.4Very low145 Ų145134.3 Ų134.376%0.75974%0.739SS**  cis82.378.24.1-141.4176.9000117.7K315L313-K315 WeakPolarHBondContact O-CE 3.24Å
314D25.9Very low30.1Very low131 Ų131130.1 Ų130.170%0.70172%0.719SS**  trans-150.8147.6172.3-139.9-73.6000111.9
315K33.9Very low29.2Very low146 Ų146130 Ų13064%0.63572%0.719SS**  -153.6154.1-59.5-99.9147.3-147.6149.80109.2L313 L317L313-K315 WeakPolarHBondContact O-CE 3.24Å; K315-L317 PolarHBondContact O-N 3.39Å
316S27.5Very low29.5Very low115 Ų115126.4 Ų126.480%0.80471%0.711SS**SBendtrans-83.399.9158.3570000111
317L31.5Very low30.1Very low150 Ų150128 Ų12879%0.78571%0.712SS**SBendtrans50.5127.2146.1-58.1179.2000122.1K315K315-L317 PolarHBondContact O-N 3.39Å
318L28.6Very low30.4Very low159 Ų159124.9 Ų124.983%0.83271%0.712SS**  trans73.297.9145.2-88.761.4000121.4
319K26.2Very low30.7Very low182 Ų182125.4 Ų125.479%0.79171%0.711SS**  trans-24134.7151.4-67157.2-179.1169.30115
320S32.1Very low31Very low108 Ų108126.9 Ų126.976%0.75571%0.709SS**  67.7143.168.5-440000113.4
321K30.6Very low30.8Very low191 Ų191131.5 Ų131.583%0.8371%0.712SS**  -168.4171.354.4-77.4-176-178.4-177.60110.8
322S31.7Very low31.2Very low89 Ų89134.6 Ų134.662%0.62272%0.715SS**  cis178.2142.8-24.3178.80000111.9
323C30.7Very low31.2Very low75 Ų75137.8 Ų137.851%0.50772%0.722SS.*  trans54167.8151.471.30000120.5S366C323-S366 VanDerWaalsContact O-CB 3.23Å; C323-S366 WeakPolarHBondContact O-CB 3.33Å
324H28.5Very low31Very low96 Ų96136.8 Ų136.844%0.44472%0.721SS.*  cis-141.1-177.28.2-83.6-70.3000109.7
325Q28Very low31.2Very low146 Ų146136.8 Ų136.868%0.68273%0.728SS**  cis163.1120.3-46.1178.31791.800110.5M364Q325-M364 WeakPolarHBondContact O-CE 3.45Å
326G32.6Very low31.1Very low68 Ų68133.5 Ų133.570%0.70174%0.736SS**  trans87.7172.717300000115.5
327L39.7Very low31.2Very low135 Ų135132.1 Ų132.171%0.70774%0.74SS**  cis-171.2139.1-6-112.2169.4000109.6Y329L327-Y329 HydrophobicContact CB-CD2 4.47Å; L327-Y329 HydrophobicContact CB-CE2 4.35Å; L327-Y329 HydrophobicContact CD1-CE2 4.08Å; L327-Y329 HydrophobicContact CD2-CD2 4.26Å; L327-Y329 HydrophobicContact CD2-CE2 3.87Å; L327-Y329 HydrophobicContact CG-CE2 4.32Å
328A32.1Very low31.1Very low88 Ų88128.8 Ų128.873%0.72774%0.741SS**  trans-173.1138.814800000109.7
329Y32.4Very low31.2Very low171 Ų171124.3 Ų124.367%0.67173%0.734SS**  cis111156.512.6-81-53.8000115.1L327L327-Y329 HydrophobicContact CB-CD2 4.47Å; L327-Y329 HydrophobicContact CB-CE2 4.35Å; L327-Y329 HydrophobicContact CD1-CE2 4.08Å; L327-Y329 HydrophobicContact CD2-CD2 4.26Å; L327-Y329 HydrophobicContact CD2-CE2 3.87Å; L327-Y329 HydrophobicContact CG-CE2 4.32Å
330H31.3Very low31.5Very low154 Ų154123.9 Ų123.971%0.71374%0.735SS**  trans101.2125.8169.8-62.2-80.8000117.1
331Y27.6Very low31.4Very low201 Ų201129.7 Ų129.779%0.78874%0.74SS**  cis-159.6167.5-20.2-144.3-129000109.2
332L40.5Very low31.3Very low158 Ų158125.6 Ų125.683%0.82774%0.736SS**  trans-99.1144.6165.4-85.7169000109.6
333Q27.9Very low31Very low186 Ų186127.3 Ų127.387%0.86974%0.742SS**  trans-131.3133.2171.3-171.71554.900110.4
334V32.3Very low31Very low123 Ų123129.2 Ų129.275%0.74575%0.752SS**  trans-108.5131.9-178.71790000108.7G336V334-G336 PolarHBondContact O-N 2.94Å
335P30.6Very low31.1Very low131 Ų131131.6 Ų131.685%0.85177%0.767SS**  trans-76.8102.1163.8-7.925.5000109.2
336G31.6Very low31.2Very low77 Ų77132.4 Ų132.479%0.79478%0.775SS**  trans-85.9134.3161.800000109.6V334V334-G336 PolarHBondContact O-N 2.94Å
337G29.6Very low30.9Very low87 Ų87134.4 Ų134.490%0.89778%0.778SS**  trans-144.392.4179.700000111.6
338G29.6Very low31.3Very low79 Ų79133 Ų13381%0.81478%0.777SS**SBendtrans171.894.818000000111.7
339G28.8Very low31.1Very low65 Ų65138.3 Ų138.367%0.6778%0.779SS**  trans81.8138.4-173.100000113.1
340E32.6Very low30.8Very low174 Ų174136.2 Ų136.281%0.81378%0.775SS**  cis69.4123.736.9-63-168.8-136.900112.8
341W31.1Very low30.7Very low230 Ų230134 Ų13487%0.87177%0.773SS**  cis-132.5174.914.7-67.3-49.2000114.9
342S27.6Very low30.7Very low105 Ų105131.6 Ų131.673%0.73477%0.773SS**  trans-59.8173.5155.3-47.20000111.8
343T27.1Very low30.1Very low124 Ų124129 Ų12976%0.76177%0.774SS**  cis-168.7165.427.8-22.40000111
344T30.7Very low30.2Very low115 Ų115124.8 Ų124.871%0.70677%0.772SS**  trans68.7106.9144.6-530000122.1
345L30.1Very low30.1Very low146 Ų146123.2 Ų123.276%0.76477%0.771SS**  trans56.5124.9138-61.5176.2000124.3
346L29.3Very low30.2Very low164 Ų164126 Ų12686%0.85977%0.773SS**  trans81.3153.9134.6-67.1169.5000122.1
347S25.9Very low30.2Very low109 Ų109125.2 Ų125.276%0.76277%0.765SS**  trans-117.7-168.2-176.3-147.60000108.1
348P49.1Very low30.5Very low105 Ų105127.1 Ų127.168%0.68276%0.762SS**  cis-136.3-155.9-641.4-20.6000113.7
349R27.1Very low31.2Very low201 Ų201130.7 Ų130.776%0.75876%0.761SS**  trans73153.7159.9-88-172.9147.4-157.3-22.3117.7
350E26.1Very low31.8Very low126 Ų126133.2 Ų133.259%0.58977%0.765SS**  cis-162.3175.3-19.3-145.5161.4-131.100110.2
351T29.6Very low32.1Very low109 Ų109130.1 Ų130.167%0.66976%0.762SS**  trans65.2117.4160.441.60000122.6
352D26.8Very low32.9Very low149 Ų149129.7 Ų129.780%0.79776%0.76SS**  75.9131.5127.5-57.2-11.8000125.6
353A28.7Very low33.3Very low103 Ų103134.9 Ų134.985%0.85176%0.763SS**  trans65136.1148.800000120.5
354A29.1Very low34.2Very low99 Ų99135.2 Ų135.282%0.81876%0.758SS**  cis-164.3178.3-10.700000111.1
355A31.4Very low34.5Very low89 Ų89139.2 Ų139.274%0.73676%0.76SS**  trans83.9118.9166.700000119.7
356E32.2Very low35.1Very low189 Ų189134.5 Ų134.588%0.88374%0.739SS**SBendtrans60.6129.3153.5-59-49.6123.700122.6
357G31.2Very low35.4Very low61 Ų61130.5 Ų130.563%0.62974%0.738SS**  trans101.364.5167.100000117I359G357-I359 PolarHBondContact O-N 3.44Å
358P37.3Very low36Very low128 Ų128131.1 Ų131.183%0.83174%0.742SS**  trans-75.9111.2-17130.1-35.6000115.1
359I44.2Very low35.1Very low154 Ų154134.7 Ų134.779%0.7974%0.743SS**  trans-76.3132.6157.6-59.1162000108.3G357G357-I359 PolarHBondContact O-N 3.44Å
360P39.8Very low35.6Very low118 Ų118132.9 Ų132.977%0.76675%0.747SS**  -145.2143.6123.334.4-19.2000115
361C39.2Very low36.4Very low109 Ų109133.2 Ų133.274%0.73675%0.746SS**  trans-75.8166.7170.5-52.40000112.7
362R47.8Very low36.9Very low221 Ų221131.7 Ų131.783%0.83474%0.744SS**  trans41.1104.9152.7-78.3179.5160.8163.3-5.6117.9
363R37Very low38Very low214 Ų214133 Ų13381%0.80875%0.748SS**  trans-123.586.8147.2-176.7175.7158.6-174.4-5.8110.9R365R363-R365 HydrophobicContact CG-CB 4.42Å; R363-R365 PolarHBondContact O-N 2.91Å
364M46.3Very low38.6Very low130 Ų130130.5 Ų130.564%0.6473%0.732SS**  trans-67.4118.7158.2-79.2175.864.300108.2Q325Q325-M364 WeakPolarHBondContact O-CE 3.45Å
365R36.6Very low39.2Very low200 Ų200133 Ų13376%0.75573%0.732SS**  trans-157.190.5164-131.8171.6-177.5172.6-0.3111R363 G367R363-R365 HydrophobicContact CG-CB 4.42Å; R363-R365 PolarHBondContact O-N 2.91Å; R365-G367 PolarHBondContact O-N 3.06Å
366S43.3Very low39.7Very low47 Ų47137.1 Ų137.133%0.32974%0.736SS.*  trans-63.3116.6161.235.20000109C323 S368C323-S366 VanDerWaalsContact O-CB 3.23Å; C323-S366 WeakPolarHBondContact O-CB 3.33Å; S366-S368 VanDerWaalsContact C-N 3.25Å; S366-S368 PolarHBondContact O-N 3.3Å
367G35.8Very low40.2Very low80 Ų80135.2 Ų135.283%0.82573%0.732SS**SBendtrans-82.452.7-172.300000114.7R365R365-G367 PolarHBondContact O-N 3.06Å
368S36.9Very low40.7Very low122 Ų122136.7 Ų136.785%0.85373%0.733SS**  trans-15569.4165.4-87.90000110.6S366S366-S368 VanDerWaalsContact C-N 3.25Å; S366-S368 PolarHBondContact O-N 3.3Å
369Y30.9Very low40.8Very low180 Ų180138 Ų13871%0.70673%0.733SS**  trans-99.7107.2157.4175.7-88.2000108.3K371Y369-K371 HydrophobicContact CE2-CB 4Å
370I37.9Very low40.6Very low163 Ų163139.2 Ų139.284%0.83674%0.735SS**  trans-137.493.6135.1-58.4-174.7000105.2
371K41.8Very low40.6Very low133 Ų133138.3 Ų138.358%0.57873%0.732SS**PPolyproline II helixtrans-67.9143.7154.3-175.5-164.2160.5-174.20105.9Y369 M373Y369-K371 HydrophobicContact CE2-CB 4Å; K371-M373 PolarHBondContact O-N 2.92Å
372A41Very low40.4Very low76 Ų76136.7 Ų136.763%0.62873%0.733SS**PPolyproline II helixtrans-53.9136165.800000110.3
373M49.8Very low39.7Very low177 Ų177129.8 Ų129.887%0.87273%0.73SS**PPolyproline II helixtrans-68147.1166.7-64.4-71.6-72.700108.7K371K371-M373 PolarHBondContact O-N 2.92Å
374G40.5Very low39.8Very low51 Ų51125.8 Ų125.853%0.52674%0.736SS.*  trans93.1142.3-170.200000112.4
375D43Very low39.6Very low152 Ų152125.1 Ų125.181%0.81374%0.741SS**  cis-143.2158.4-10.1-142.5-8.5000109.8
376E41.7Very low39.9Very low174 Ų174125.1 Ų125.181%0.81375%0.746SS**  trans-121.4101.8-177.7-68.7-96.612500109.6
377D43.2Very low39.9Very low149 Ų149129 Ų12980%0.79777%0.771SS**  trans-148.5126.7157-96.8-39.3000107.7
378S40.4Very low39.9Very low93 Ų93129.5 Ų129.565%0.6576%0.761SS**  94.1122.755.2-64.40000111.3
379D40.8Very low40.6Very low155 Ų155128.9 Ų128.983%0.82976%0.755SS**  trans44.4123.4161.8-58.2-42.2000121.3
380E39Very low41.5Very low179 Ų179129.8 Ų129.884%0.83676%0.762SS**  -172.7164.7102.6-174.144.961.800110.5
381S39.8Very low42.1Very low100 Ų100127 Ų12770%0.69975%0.753SS**  trans-91.2155.9-168.7-170.20000115.1
382G34.8Very low42.5Very low74 Ų74123.7 Ų123.776%0.76375%0.75SS**  trans95.614713700000119.1
383G33Very low42.9Very low76 Ų76123.6 Ų123.678%0.78475%0.75SS**  trans98.8115.8156.600000117P385G383-P385 WeakPolarHBondContact O-CD 3.1Å
384S39.7Very low43.2Very low131 Ų131125.6 Ų125.692%0.91675%0.748SS**  trans-75.3138.2160.8-73.70000111.5
385P42.1Very low43.8Very low116 Ų116132.3 Ų132.375%0.75376%0.757SS**  trans-128.2118146.133.7-21.6000113.9G383G383-P385 WeakPolarHBondContact O-CD 3.1Å
386K42.7Very low44.2Very low199 Ų199131 Ų13187%0.86575%0.746SS**  trans21.4128.2144.9-61.4167.9-177168.80119.3
387P42.3Very low44.8Very low130 Ų130126.7 Ų126.784%0.84474%0.735SS**  trans-66147.9170.329.4-35.1000113.2
388S37.5Very low45.4Very low90 Ų90128.2 Ų128.263%0.62973%0.731SS**  trans-69.9150.2-169.8-174.50000114.7K390S388-K390 VanDerWaalsContact C-N 3.34Å; S388-K390 PolarHBondContact O-N 3.42Å; S388-K390 VanDerWaalsContact O-N 3.08Å
389P49.9Very low46Very low109 Ų109128.4 Ų128.471%0.70872%0.724SS**G310 helixtrans-63-23.5-161.6-27.536.7000117.7T391 A392P389-T391 PolarHBondContact O-N 3.19Å; P389-A392 PolarHBondContact O-N 3.41Å
390K51.2Low46.7Very low198 Ų198129.6 Ų129.686%0.86172%0.717SS**G310 helixtrans-68.2-17.1-169.8-71.6-177.6176.9176.90114.5S388S388-K390 VanDerWaalsContact C-N 3.34Å; S388-K390 PolarHBondContact O-N 3.42Å; S388-K390 VanDerWaalsContact O-N 3.08Å
391T49.3Very low47.4Very low104 Ų104124.8 Ų124.864%0.63871%0.708SS**G310 helixtrans-86.7-17.2178.2-48.80000113.2P389P389-T391 PolarHBondContact O-N 3.19Å
392A51.6Low47.8Very low64 Ų64124.8 Ų124.853%0.52970%0.704SS.*Hα-helixtrans-72.9-44.5-17500000113.3P389 R394 R395 Q396P389-A392 PolarHBondContact O-N 3.41Å; A392-R394 VanDerWaalsContact C-N 3.34Å; A392-R394 PolarHBondContact O-N 3.46Å; A392-R395 PolarHBondContact O-N 2.77Å; A392-Q396 PolarHBondContact O-N 2.7Å
393A49.5Very low48.5Very low75 Ų75128 Ų12862%0.6270%0.699SS**Hα-helixtrans-60.6-39.4-174.600000113.2R395 Q396 S397A393-R395 VanDerWaalsContact C-N 3.29Å; A393-R395 PolarHBondContact O-N 3.4Å; A393-Q396 PolarHBondContact O-N 2.91Å; A393-S397 PolarHBondContact O-N 3.34Å
394R54.4Low49Very low219 Ų219132.8 Ų132.883%0.82670%0.701SS**Hα-helixtrans-66-29.4-177.8-158.6176.7-169.9-168.83.2113A392A392-R394 VanDerWaalsContact C-N 3.34Å; A392-R394 PolarHBondContact O-N 3.46Å
395R54.7Low48.9Very low192 Ų192132.1 Ų132.173%0.72570%0.696SS**Hα-helixtrans-80.4-28.9178.6-61.7-175.474.5-137.23.7112.9A392 A393A392-R395 PolarHBondContact O-N 2.77Å; A393-R395 VanDerWaalsContact C-N 3.29Å; A393-R395 PolarHBondContact O-N 3.4Å
396Q49.7Very low49Very low124 Ų124134.7 Ų134.758%0.57970%0.703SS**Hα-helixtrans-71.5-38.8175.8-72.6-68.2-17.800112.6A392 A393 Y398 L399 R400A392-Q396 PolarHBondContact O-N 2.7Å; A393-Q396 PolarHBondContact O-N 2.91Å; Q396-Y398 PolarHBondContact O-N 3.17Å; Q396-L399 PolarHBondContact O-N 2.89Å; Q396-R400 PolarHBondContact O-N 3.5Å; Q396-R400 VanDerWaalsContact O-N 3.08Å
397S55.6Low48.9Very low83 Ų83128.8 Ų128.858%0.5870%0.698SS**Hα-helixtrans-57.9-45.1176.6170.10000112.8A393 L399 R400 A401A393-S397 PolarHBondContact O-N 3.34Å; S397-L399 PolarHBondContact O-N 3.3Å; S397-R400 PolarHBondContact O-N 3.06Å; S397-A401 PolarHBondContact O-N 3.18Å; S397-A401 VanDerWaalsContact O-N 3.13Å
398Y55.5Low48.5Very low182 Ų182131.5 Ų131.571%0.71470%0.7SS**Hα-helixtrans-69.1-33.9-176.2-149.1-98.9000113.1Q396 T402Q396-Y398 PolarHBondContact O-N 3.17Å; Y398-T402 PolarHBondContact O-OG1 2.94Å
399L53.7Low48.4Very low96 Ų96136.6 Ų136.650%0.50371%0.714SS.*Hα-helixtrans-74.1-36.2175.1-73.6168.1000112.6Q396 S397 T402 Q403Q396-L399 PolarHBondContact O-N 2.89Å; S397-L399 PolarHBondContact O-N 3.3Å; L399-T402 PolarHBondContact O-OG1 2.81Å; L399-Q403 WeakPolarHBondContact O-CG 3.35Å; L399-Q403 PolarHBondContact O-N 2.9Å
400R55.4Low47.5Very low180 Ų180136 Ų13668%0.67971%0.712SS**Hα-helixtrans-65.7-42.4175-79.5-72.5-173.9157.50.2112.2Q396 S397 T402 Q403Q396-R400 PolarHBondContact O-N 3.5Å; Q396-R400 VanDerWaalsContact O-N 3.08Å; S397-R400 PolarHBondContact O-N 3.06Å; R400-T402 VanDerWaalsContact C-N 3.27Å; R400-T402 PolarHBondContact O-N 2.82Å; R400-Q403 PolarHBondContact O-N 2.85Å
401A53Low46.4Very low78 Ų78133.4 Ų133.465%0.64571%0.708SS**Hα-helixtrans-66.7-24.3-179.100000114.1S397S397-A401 PolarHBondContact O-N 3.18Å; S397-A401 VanDerWaalsContact O-N 3.13Å
402T49.2Very low45.5Very low101 Ų101133.6 Ų133.662%0.6271%0.71SS**Hα-helixtrans-94.4-10.818040.10000114.2Y398 L399 R400Y398-T402 PolarHBondContact O-OG1 2.94Å; L399-T402 PolarHBondContact O-OG1 2.81Å; R400-T402 VanDerWaalsContact C-N 3.27Å; R400-T402 PolarHBondContact O-N 2.82Å
403Q48.4Very low44.4Very low142 Ų142141.8 Ų141.866%0.66473%0.728SS**Hα-helixtrans-96.9-10176.4-70.1-178.5-1.500113.8L399 R400 S405L399-Q403 WeakPolarHBondContact O-CG 3.35Å; L399-Q403 PolarHBondContact O-N 2.9Å; R400-Q403 PolarHBondContact O-N 2.85Å; Q403-S405 PolarHBondContact O-N 3.2Å
404Q44Very low43.4Very low175 Ų175150 Ų15082%0.81874%0.743SS**THydrogen-bonded Turntrans-96.530.1-170.4-150168.66.900114.8
405S38.3Very low42Very low117 Ų117145.5 Ų145.582%0.81875%0.745SS**THydrogen-bonded Turntrans-133.414.1171.3-171.40000113.1Q403Q403-S405 PolarHBondContact O-N 3.2Å
406L43.3Very low40.8Very low171 Ų171144.2 Ų144.290%0.89575%0.751SS**SBendtrans-141.357.7179-153.287.1000110.6
407G41.4Very low39.8Very low75 Ų75146 Ų14677%0.77377%0.765SS**  trans-165.321-169.200000118
408E33.6Very low38.5Very low187 Ų187153.6 Ų153.687%0.87478%0.781SS**  trans-146.853.6179.1-145.9158.8-144.800114.6
409Q33.9Very low37.3Very low196 Ų196153 Ų15392%0.91679%0.789SS**SBendtrans-137.2100.3149.5-98.5-66-0.900106.7
410S31.1Very low36.1Very low97 Ų97155.5 Ų155.568%0.67880%0.803SS**  trans-108.5138.6-157.555.40000113.8
411N29.1Very low34.9Very low144 Ų144151.2 Ų151.277%0.7780%0.801SS**  trans3498.9133.6-168.139.8000117.7
412P30.2Very low34Very low107 Ų107153.7 Ų153.770%0.69581%0.807SS**  trans-69.6164.2168.931.7-35.2000112
413R28.5Very low33Very low237 Ų237155.8 Ų155.889%0.89482%0.815SS**  trans81.781.7174.9-54-76.4-177.4125-2.2117.3
414R28.2Very low32.1Very low248 Ų248155.7 Ų155.794%0.93682%0.816SS**SBend-160.369127.4-136.9-165.6-63.1150.1-3.3117
415S25.6Very low31.6Very low123 Ų123153.3 Ų153.386%0.8681%0.809SS**  trans-172.9125.2145.544.70000110.5
416L28.7Very low31.3Very low165 Ų165155 Ų15586%0.86481%0.808SS**  trans-139.994.2168.4174.575.1000106
417D29.9Very low31Very low163 Ų163151.8 Ų151.887%0.87280%0.797SS**  trans-159.575.2176.7-107.1-42.2000111.8
418R27.7Very low30.2Very low241 Ų241153.8 Ų153.891%0.90980%0.799SS**  179.3131.1125.3-101.8179.4170.9-179.1-4.4111.7
419L30.4Very low29.7Very low170 Ų170154.5 Ų154.589%0.8980%0.799SS**  trans-83.3144.2153.1-61.4166.9000107.4
420D28.2Very low29.3Very low148 Ų148150.6 Ų150.679%0.79179%0.792SS**  170.6147104.1-159.9-1.9000111.9
421S31.1Very low29.4Very low91 Ų91151.9 Ų151.964%0.63680%0.798SS**  trans69.3127.9147-80.70000124.7
422V33.5Very low29Very low129 Ų129149 Ų14978%0.78279%0.79SS**  trans82.286.4139.4-178.10000120
423D28Very low28.8Very low146 Ų146153.7 Ų153.778%0.78179%0.794SS**  72.9161.3108.5-149.714.4000123
424M30.1Very low28.8Very low140 Ų140150.2 Ų150.269%0.6979%0.787SS**  trans82.3105.1163-71.2-77.3-95.100120.8
425L33.3Very low28.8Very low125 Ų125147.7 Ų147.765%0.65479%0.786SS**  trans88.191.3139.4-57.4168.9000121.8
426L31.4Very low28.9Very low153 Ų153148.1 Ų148.180%0.80178%0.779SS**  61.7153.8123.3-61.5171.2000121.4
427P36.9Very low28.9Very low103 Ų103150.2 Ų150.267%0.66978%0.777SS**  cis-141.7-178.3-42.241.3-25000114.9
428S24.7Very low28.8Very low116 Ų116148.4 Ų148.481%0.81177%0.772SS**  trans71.4110.3149-60.30000120.9
429K23.3Very low29.2Very low202 Ų202142.2 Ų142.288%0.87876%0.763SS**  trans-147114.9147.3-139.1169-172.1173.60111.2
430C26.4Very low28.9Very low115 Ų115140 Ų14078%0.77776%0.756SS**  trans26113.9163.2-52.50000120.7
431P32Very low28.9Very low124 Ų124137.7 Ų137.781%0.80575%0.751SS**  trans-78.9157.9134.935.4-31.4000110.5
432S21.4Very low28.7Very low84 Ų84140.3 Ų140.359%0.58776%0.758SS**  cis94.170.43.1-159.70000118.4
433W25.3Very low28.5Very low205 Ų205139 Ų13978%0.77776%0.755SS**  trans60.4162.815264.3-91.5000121.3
434E28.1Very low28.6Very low163 Ų163139.7 Ų139.776%0.76276%0.758SS**  trans63.7132.3180-95.5165-14200119.8
435E29Very low28.7Very low196 Ų196139.4 Ų139.492%0.91676%0.759SS**  trans-154.4115.5173.5-177.2163.6-129.700105.6
436D28.4Very low28.5Very low131 Ų131139.4 Ų139.470%0.70176%0.76SS**  trans-153.1146.6-172.5-152.4-2000111.9
437Y27.1Very low28.4Very low209 Ų209137 Ų13782%0.8276%0.756SS**  trans63.6129.5178.4-71.4-84.1000121.7
438T27.9Very low28Very low126 Ų126136.8 Ų136.877%0.77376%0.757SS**  trans-87.8-168.716654.70000109.6
439P36.1Very low28.2Very low111 Ų111136 Ų13672%0.72175%0.75SS**  cis-149.6-161.816.431.9-2.8000117.7
440V25.4Very low28.4Very low123 Ų123133.7 Ų133.775%0.74575%0.746SS**  trans96.597156-174.30000120.2
441S27Very low28.5Very low99 Ų99133.2 Ų133.269%0.69274%0.744SS**  68.3135.8125.7-58.40000127.1
442D27.2Very low28.5Very low147 Ų147135.3 Ų135.379%0.78674%0.743SS**  95.2112.7129.4-82.5-40.9000124.7
443S29.1Very low28.9Very low101 Ų101138 Ų13871%0.70675%0.749SS**  106.8129.3123.877.40000122.8
444L31.3Very low29Very low161 Ų161138.6 Ų138.684%0.84376%0.758SS**  trans67.4104.5140.4-68.4167.3000123.7
445N31.3Very low28.9Very low134 Ų134134.6 Ų134.672%0.71776%0.76SS**  92.3140.3112.3-152.347.9000123.2
446D29Very low28.8Very low125 Ų125134.8 Ų134.867%0.66876%0.761SS**  trans55.4131.6155-95.9-46.2000125.9
447S29.6Very low28.6Very low102 Ų102133.7 Ų133.771%0.71377%0.769SS**  trans81.6124134.377.80000122.6
448S28.9Very low28.6Very low99 Ų99128.5 Ų128.569%0.69276%0.764SS**  trans61.7112.8132.2-165.90000122.3
449C28.1Very low28.6Very low100 Ų100129.9 Ų129.968%0.67677%0.766SS**  trans73.4135.2134.684.90000122.6
450I27.6Very low28.3Very low152 Ų152131.9 Ų131.978%0.77977%0.769SS**  trans59.897.3153.2-55.5157.8000117.1
451S28.1Very low28.9Very low105 Ų105130.5 Ų130.573%0.73476%0.763SS**  172.1131.8120.3-80.70000116.5
452Q33.1Very low28.8Very low168 Ų168131.5 Ų131.579%0.78576%0.756SS**  59.498.2124.1-159.9161-23.800123.2
453I29.8Very low28.9Very low142 Ų142131.3 Ų131.373%0.72875%0.754SS**  65.2126.1126.9-60.9178.8000120.5
454F27.9Very low28.9Very low217 Ų217135.1 Ų135.195%0.95276%0.758SS**  trans75125.2164.1-95.1-126.9000119.2
455G26.3Very low28.7Very low78 Ų78130.2 Ų130.280%0.80475%0.747SS**  trans174133.4169.800000109.2
456Q26.1Very low28.6Very low201 Ų201131.6 Ų131.694%0.93975%0.749SS**  trans-84.4149.7177.3-76.1-173.9-34.300111.3
457A23.4Very low28.5Very low107 Ų107131.7 Ų131.788%0.88475%0.745SS**  trans-112.2134.315900000109.3
458S27.5Very low28.3Very low101 Ų101134.5 Ų134.571%0.70675%0.747SS**  trans-142.4160.5168.6550000108.4
459L27.6Very low28.2Very low154 Ų154138 Ų13881%0.80675%0.753SS**  trans81.8123.9-165.9-47.5165.8000111
460I30.5Very low28.3Very low153 Ų153137.9 Ų137.979%0.78575%0.748SS**  cis70.312939.1-53.4173.7000111
461P37.3Very low28.4Very low95 Ų95139.8 Ų139.862%0.61775%0.746SS**  cis-129.6-163.7-0.236.5-15.4000115
462Q25.6Very low28.3Very low120 Ų120141.8 Ų141.856%0.56174%0.743SS**  trans42.4120.1143.1-82.6152.5-67.200119.8E770Q462-E770 PolarHBondContact NE2-OE2 2.9Å
463L29.1Very low28.3Very low142 Ų142137.5 Ų137.574%0.74374%0.737SS**  45.5111.455.8-72.8166.2000112.2
464F29.6Very low28.3Very low181 Ų181139.1 Ų139.179%0.79474%0.742SS**  -158.1173.258.2-133.2-92.3000113.3
465G26.9Very low28.6Very low58 Ų58136 Ų13660%0.59873%0.734SS**  trans109.4112.5171.600000113.8
466H28.7Very low28.6Very low164 Ų164137.1 Ų137.176%0.75973%0.73SS**  68.3129.587.9-93.7-123.4000114.2
467E26Very low28.7Very low127 Ų127132.9 Ų132.959%0.59371%0.713SS**  cis-160.1166.16.6-146.2179.114600115
468Q26.8Very low28.8Very low160 Ų160136.3 Ų136.375%0.74871%0.711SS**  trans52.2124.6148.9-90.6177.544.100121.6
469Q26.9Very low28.7Very low174 Ų174142.2 Ų142.281%0.81372%0.719SS**  -159.2143.1106.2-126.3-171.822.400114
470V29.6Very low28.8Very low96 Ų96143.5 Ų143.558%0.58272%0.721SS**  trans64.8105.1164.7-1680000114.4
471R30Very low28.7Very low192 Ų192140.5 Ų140.573%0.72572%0.719SS**  60.8139.679.4-67-172.5-62.4107.4-2113.5
472E26.5Very low28.2Very low147 Ų147140 Ų14069%0.68772%0.724SS**  cis-155.9160.712-134.4157.1115.100111.5
473A31.6Very low28.2Very low79 Ų79139.5 Ų139.565%0.65373%0.732SS**  trans40.2137.8147.400000121.2
474E31.2Very low28Very low176 Ų176141.5 Ų141.582%0.82274%0.737SS**  cis-152.6142.37.9-109.8157.4154.900106.6
475L33.6Very low27.7Very low151 Ų151138.4 Ų138.479%0.79174%0.738SS**  59.3124.154.5-78.9160.1000112.5
476S25.8Very low27.7Very low102 Ų102139.8 Ų139.871%0.71374%0.744SS**  -176.4160.167.1147.50000107.5
477D29.2Very low27.6Very low111 Ų111138.4 Ų138.459%0.59475%0.751SS**  cis-158145.9-20.6-84.5-36.8000105.2
478Q24.7Very low27.7Very low179 Ų179138.5 Ų138.584%0.83677%0.766SS**  63.510461.6-170.9176.49700115.1
479Y26.3Very low27.8Very low225 Ų225140 Ų14088%0.88277%0.773SS**  -152.3161.9122.980.3-93.3000111.5
480E29.1Very low28Very low181 Ų181136.1 Ų136.185%0.84677%0.77SS**  trans-137-168.1-173.7-154.5-167.6154.200109.2
481A28.6Very low27.8Very low91 Ų91139.8 Ų139.875%0.75278%0.781SS**  trans79.7149.1170.700000117.4
482A25.8Very low27.8Very low85 Ų85136.8 Ų136.870%0.70279%0.789SS**  cis-167.8170.6-20.600000110.8
483C26Very low27.8Very low108 Ų108136 Ų13673%0.7380%0.795SS**  trans36.9108.7149.9-62.10000119.3
484E24.8Very low27.7Very low184 Ų184137 Ų13786%0.8680%0.803SS**  92.4146.979.9-86.7-165.7139.200115.3
485S24.7Very low27.7Very low117 Ų117133.2 Ų133.282%0.81880%0.802SS**  trans93.1139150.9-152.50000121.8
486A25.7Very low27.6Very low86 Ų86134.7 Ų134.771%0.71181%0.805SS**  trans6398.9151.700000121.7
487C27.5Very low27.7Very low136 Ų136135.7 Ų135.792%0.91981%0.807SS**  trans8135132.3-52.70000120.3
488S26.9Very low27.8Very low128 Ų128137.9 Ų137.990%0.89582%0.818SS**  trans-132.9135.7147.657.40000111.3
489E29.3Very low28Very low193 Ų193136.9 Ų136.990%0.90282%0.818SS**  trans-119.8124.1179.1178.5-176.2124.100108.1
490A30.2Very low28.3Very low91 Ų91133 Ų13375%0.75281%0.812SS**  trans-168103.1167.600000107.4
491E25.4Very low28.9Very low173 Ų173130.2 Ų130.281%0.80881%0.809SS**  59.7106.689.9-69.9-155.9115.300115
492S30.5Very low29.3Very low129 Ų129132.8 Ų132.890%0.90281%0.81SS**  trans-152.8139.5149-79.30000108.6
493T27.2Very low29.8Very low130 Ų130135 Ų13580%0.79882%0.817SS**  trans-119.5175.9-158.250.90000113.2
494A28.1Very low30.1Very low101 Ų101134.8 Ų134.884%0.83582%0.816SS**  trans76.2143175.700000115.7
495A32.3Very low30.7Very low96 Ų96136.1 Ų136.179%0.79382%0.815SS**  cis-143.4167.2-000000112.2
496E31.7Very low31.1Very low182 Ų182139.4 Ų139.485%0.8582%0.815SS**  trans-58.1157.1167.3-62163.1112.500110.6
497T27.1Very low31.6Very low124 Ų124146.1 Ų146.176%0.76182%0.822SS**  -174.8167.168.1-43.30000110.4
498L31.8Very low32.3Very low157 Ų157145.1 Ų145.182%0.82282%0.817SS**  trans91.485.9163.7-56.3177.9000119.1
499D28.1Very low33Very low158 Ų158149.8 Ų149.885%0.84582%0.815SS**  78.5148.1123.6-146.111000121.1
500L34.1Very low33.2Very low144 Ų144143.8 Ų143.875%0.75479%0.794SS**  trans-95.3160-173-79.2171.3000110.1
501P40.6Very low34.3Very low121 Ų121146.8 Ų146.879%0.78679%0.792SS**  cis-151.8175.149.741.4-19.4000119.8
502L38.2Very low35.5Very low146 Ų146142.3 Ų142.376%0.76478%0.78SS**  trans-53.2142.8174.6-62.5152.4000114.7S504L502-S504 VanDerWaalsContact C-N 3.32Å; L502-S504 PolarHBondContact O-N 3.43Å
503P35.2Very low36.2Very low132 Ų132143.7 Ų143.786%0.85777%0.766SS**  trans-70.181.4162-1732.2000112
504S33.2Very low37.3Very low102 Ų102142.4 Ų142.471%0.71375%0.754SS**  trans-70.2131.2177.7-175.90000112.8L502 F506L502-S504 VanDerWaalsContact C-N 3.32Å; L502-S504 PolarHBondContact O-N 3.43Å; S504-F506 PolarHBondContact O-N 3.36Å
505Y37.5Very low38.5Very low212 Ų212145.4 Ų145.483%0.83174%0.744SS**SBendtrans-71.482171-91.3-89.9000111.7
506F33.5Very low39.6Very low187 Ų187144 Ų14482%0.8273%0.732SS**  trans-156.6101.3155.6-98.6-67.3000112S504S504-F506 PolarHBondContact O-N 3.36Å
507R34.4Very low40.5Very low227 Ų227140.4 Ų140.486%0.85772%0.718SS**  trans-113.267.3170.1-153.7175.7-161.2-141.95112.4R509R507-R509 PolarHBondContact O-N 3.39Å; R507-R509 VanDerWaalsContact O-N 3.16Å
508S42.7Very low41.4Very low115 Ų115142.2 Ų142.280%0.80472%0.718SS**  trans-57.3113.7170.347.60000110.7
509R40.9Very low42.3Very low226 Ų226139 Ų13985%0.85371%0.713SS**  trans-127.167.2-176.1-159.2-174.1-177.4-127.7-0114.1R507R507-R509 PolarHBondContact O-N 3.39Å; R507-R509 VanDerWaalsContact O-N 3.16Å
510S34.6Very low43.2Very low66 Ų66134.3 Ų134.346%0.46270%0.703SS.*  trans-146105.3144.465.90000111.6S512 Y513S510-S512 PolarHBondContact O-N 2.78Å; S510-Y513 PolarHBondContact O-N 2.81Å
511H52.9Low43.2Very low155 Ų155134 Ų13472%0.71871%0.711SS**THydrogen-bonded Turntrans-81.633.5176.8-133.975.7000112.3R515H511-R515 PolarHBondContact O-NH2 3.42Å
512S50.3Low43.1Very low79 Ų79133.5 Ų133.555%0.55271%0.711SS**THydrogen-bonded Turntrans-121.5-35.7178.948.90000111.4S510 R515 A516S510-S512 PolarHBondContact O-N 2.78Å; S512-R515 PolarHBondContact O-N 3.04Å; S512-A516 PolarHBondContact O-N 2.89Å
513Y45.3Very low42.8Very low157 Ų157135.3 Ų135.362%0.61672%0.715SS**Hα-helixtrans-62.4-45.9177.7-171.6-110.3000112.2S510 R515 A516 I517S510-Y513 PolarHBondContact O-N 2.81Å; Y513-R515 PolarHBondContact O-N 3.15Å; Y513-A516 WeakPolarHBondContact O-CB 3.31Å; Y513-A516 PolarHBondContact O-N 2.89Å; Y513-I517 HydrophobicContact CD1-CD1 4.13Å; Y513-I517 HydrophobicContact CE1-CD1 3.76Å; Y513-I517 PolarHBondContact O-N 2.7Å
514L50.2Low42.7Very low103 Ų103137.4 Ų137.454%0.53971%0.713SS.*Hα-helixtrans-60.6-28.8-179.9-69.3171.6000113.9
515R54.4Low42.8Very low165 Ų165141.2 Ų141.262%0.62372%0.72SS**Hα-helixtrans-83.5-18.4176.4-84.9-175.4-70.3-166.1-4.7114.1H511 S512 Y513H511-R515 PolarHBondContact O-NH2 3.42Å; S512-R515 PolarHBondContact O-N 3.04Å; Y513-R515 PolarHBondContact O-N 3.15Å
516A54.5Low42.7Very low67 Ų67138.3 Ų138.355%0.55472%0.719SS**Hα-helixtrans-70.8-37.5171.700000111.2S512 Y513 Q518 A519S512-A516 PolarHBondContact O-N 2.89Å; Y513-A516 WeakPolarHBondContact O-CB 3.31Å; Y513-A516 PolarHBondContact O-N 2.89Å; A516-Q518 VanDerWaalsContact C-N 3.33Å; A516-Q518 PolarHBondContact O-N 3.36Å; A516-A519 PolarHBondContact O-N 2.62Å
517I51.3Low42.5Very low106 Ų106133.6 Ų133.654%0.54471%0.709SS.*Hα-helixtrans-67.6-34.1177.4-59.5172.7000111.2Y513 A519Y513-I517 HydrophobicContact CD1-CD1 4.13Å; Y513-I517 HydrophobicContact CE1-CD1 3.76Å; Y513-I517 PolarHBondContact O-N 2.7Å; I517-A519 PolarHBondContact O-N 2.85Å
518Q46.6Very low42.4Very low162 Ų162128.8 Ų128.876%0.75771%0.705SS**THydrogen-bonded Turntrans-77.93.6-179.8-70.5-178.2-46.200115.2A516A516-Q518 VanDerWaalsContact C-N 3.33Å; A516-Q518 PolarHBondContact O-N 3.36Å
519A49.2Very low41.6Very low88 Ų88127.9 Ų127.973%0.72770%0.698SS**THydrogen-bonded Turntrans-123.311.8-174.800000114.2A516 I517A516-A519 PolarHBondContact O-N 2.62Å; I517-A519 PolarHBondContact O-N 2.85Å
520G48Very low41.1Very low61 Ų61124.4 Ų124.463%0.62970%0.696SS**SBendtrans-161.448.3-168.100000116.5
521C33.2Very low40.7Very low136 Ų136129.7 Ų129.792%0.91971%0.713SS**  trans-161.9103.5151.9-101.20000109
522S38.2Very low39.5Very low112 Ų112126.8 Ų126.878%0.78371%0.71SS**  trans-109.9142.1169.153.80000109.4
523Q33.5Very low38.4Very low184 Ų184130.5 Ų130.586%0.8672%0.723SS**  trans85155.6164.6-155.6159.8-14.300117
524E32.1Very low37.4Very low175 Ų175127.7 Ų127.782%0.81873%0.727SS**  trans54.1101.4-170.358-159.3-127.400115.9
525E35.6Very low37.4Very low183 Ų183128.8 Ų128.886%0.85574%0.74SS**  85.1154.653.5-65.2-72.5118.300113.3
526D35.8Very low37.2Very low150 Ų150126.2 Ų126.280%0.80274%0.744SS**  trans66.3148.9-173.1-78.9-43000119
527S30Very low36.5Very low89 Ų89129 Ų12962%0.62276%0.757SS**  -173.1176-58.951.50000109.2
528V31.2Very low35.5Very low126 Ų126129 Ų12976%0.76477%0.766SS**  trans77.4105.4162.2-174.20000120
529S27Very low34.6Very low95 Ų95128.5 Ų128.566%0.66477%0.774SS**  trans63.1126.1136.9-61.30000125.1
530L30Very low33.5Very low153 Ų153127.8 Ų127.880%0.80178%0.775SS**  32.7136.3114.5-48.1169.7000117.8
531Q26.2Very low32.4Very low178 Ų178130 Ų13083%0.83278%0.781SS**  -177.8163.764.5-172.1157.1-39.200112.8
532S26.8Very low32.2Very low93 Ų93130.9 Ų130.965%0.6578%0.776SS**  trans-60.2155.9174.8-178.60000115.5
533L28Very low31.6Very low157 Ų157131.1 Ų131.182%0.82278%0.778SS**  177.5165.5120.9-92.8165.6000114.8
534S24.2Very low31.3Very low99 Ų99128.7 Ų128.769%0.69277%0.771SS**  trans-142.9178.8-177.3-44.30000109.7
535P49Very low31Very low125 Ų125125.2 Ų125.281%0.81277%0.766SS**  cis-123.4-107.9-39.727.3-2.5000113.3
536P51.9Low30.8Very low111 Ų111127.7 Ų127.772%0.72177%0.767SS**  trans-133.2165.6-145.241.8-20.2000119.3
537P40.2Very low30.4Very low127 Ų127126.9 Ų126.983%0.82577%0.768SS**  trans-135.8176.4149.138.2-24.5000114.6
538S28.5Very low30.6Very low106 Ų106130.3 Ų130.374%0.74178%0.779SS**  trans-139.3167.6-177.2-63.10000114
539T27.7Very low31.3Very low150 Ų150129.8 Ų129.892%0.9278%0.778SS**  trans75.6157162.8750000119.6
540G26.4Very low31.4Very low73 Ų73130.9 Ų130.975%0.75379%0.785SS**  trans164.226.3167.700000126.1
541S25.1Very low31.5Very low108 Ų108128.8 Ų128.876%0.75578%0.784SS**  trans54.7119151.7-153.10000124.9
542L28.4Very low31.7Very low154 Ų154125.7 Ų125.781%0.80678%0.782SS**  35.9136.7130-54.6172.9000124.7
543S26Very low31.8Very low118 Ų118126.5 Ų126.583%0.82579%0.786SS**  -159.3164.8128.4-162.90000112.6
544N26.4Very low32.1Very low133 Ų133127.3 Ų127.371%0.71179%0.79SS**  trans-130.5155.4-164.9-61-38.2000113.9
545S27.7Very low32.5Very low102 Ų102129.2 Ų129.271%0.71380%0.797SS**  158.4121.8119-74.80000118
546R30.2Very low31.6Very low234 Ų234127.4 Ų127.488%0.88379%0.793SS**  trans63.3158.4142.8-53.9-179.5-177.5-124.8-3.6117.9
547T28.2Very low30.6Very low134 Ų134133 Ų13382%0.82280%0.801SS**  cis-146.4163.517.6-37.70000112.3
548L34.6Very low30.5Very low161 Ų161136.8 Ų136.884%0.84381%0.805SS**  trans-95.3179.1177.8-55.1169.1000112.2
549P44Very low30.8Very low114 Ų114141.4 Ų141.474%0.7481%0.812SS**  -150.8159.281.239.9-21.9000118
550S30.6Very low31.4Very low118 Ų118140.3 Ų140.383%0.82581%0.805SS**  trans52.5143.6147.5-69.30000122
551S32Very low32.5Very low110 Ų110142.1 Ų142.177%0.76980%0.804SS**  cis-165.1-172.9-7.657.30000107.3
552S29.2Very low33.5Very low112 Ų112142.3 Ų142.378%0.78380%0.802SS**  cis-154.8-170.68.7-157.80000110.5
553C29.9Very low34.2Very low111 Ų111140.9 Ų140.975%0.7580%0.802SS**  trans-141.4163.9-177.360.40000114
554L33.6Very low35.1Very low173 Ų173141.4 Ų141.491%0.90680%0.8SS**  trans-171.6165.4139.5-101.5179.3000110.8
555V33.5Very low36Very low139 Ų139140 Ų14084%0.84280%0.798SS**  trans-121142.1-162.6175.60000112.7
556A29.6Very low36.7Very low87 Ų87141 Ų14172%0.71980%0.802SS**  trans-157.1111.9166.300000116.6
557Y30.7Very low37.2Very low228 Ų228141 Ų14189%0.89480%0.802SS**  trans53.4139.9139.4-70.7-86.4000124.8
558K38.7Very low37.7Very low208 Ų208140.6 Ų140.690%0.90480%0.8SS**  trans-55.9136.9163.2-65.5170.867.9172.90111.2
559K33.9Very low37.9Very low203 Ų203139.2 Ų139.288%0.88380%0.798SS**  trans-148.6135.8166.4-157.4124.5179.7177.50110.5
560T41Very low37.6Very low126 Ų126139 Ų13977%0.77380%0.799SS**PPolyproline II helixtrans-69149.2171.535.10000110.9
561P48.9Very low38.4Very low112 Ų112140.8 Ų140.873%0.72779%0.792SS**PPolyproline II helixtrans-65.6143.1174.328.3-34.2000110.6
562P45.7Very low39.1Very low111 Ų111141 Ų14172%0.72179%0.791SS**PPolyproline II helixtrans-71.3147.6179.729.8-34.8000111.6
563P43.2Very low39.3Very low124 Ų124145.7 Ų145.781%0.80580%0.797SS**PPolyproline II helixtrans-67135.8178.627.9-34.6000111.7
564V44.9Very low39.7Very low130 Ų130147.4 Ų147.479%0.78880%0.797SS**PPolyproline II helixtrans-78.3126.1178.5-179.20000109.8
565P45.9Very low39.7Very low103 Ų103144.5 Ų144.567%0.66979%0.792SS**PPolyproline II helixtrans-73.2143.1179.928.9-34.6000112.1R567P565-R567 PolarHBondContact O-N 2.9Å
566P42.1Very low39.7Very low122 Ų122143.4 Ų143.479%0.79279%0.785SS**PPolyproline II helixtrans-69.3122.5-178.627.9-34.4000111.6T568P566-T568 PolarHBondContact O-N 3.46Å
567R42.3Very low40.2Very low234 Ų234145.3 Ų145.388%0.88379%0.788SS**  trans-79.8105.9176.2-83.9-172162.6105.7-2.5111.7P565P565-R567 PolarHBondContact O-N 2.9Å
568T38.6Very low40.5Very low127 Ų127139.7 Ų139.778%0.77978%0.777SS**  trans-74.3133.1165.652.30000111.2P566P566-T568 PolarHBondContact O-N 3.46Å
569T38.2Very low40.4Very low131 Ų131138.1 Ų138.180%0.80477%0.773SS**  trans-110.565.8-175.448.30000112.8
570S37.2Very low40.4Very low109 Ų109134.3 Ų134.376%0.76277%0.772SS**PPolyproline II helixtrans-71.2134.3168.447.90000111
571K47.9Very low40.4Very low157 Ų157133.8 Ų133.868%0.68377%0.774SS**PPolyproline II helixtrans-87.1128.1-179.5-62.6176.8-178.2177.40110.2
572P46.2Very low40.5Very low113 Ų113135.4 Ų135.473%0.73478%0.781SS**PPolyproline II helixtrans-73.4127.9168.429.9-32.1000110
573F32.6Very low40.6Very low211 Ų211139.6 Ų139.693%0.92579%0.792SS**PPolyproline II helixtrans-79.8132.4164.7-77.6-96000109.2
574I38.2Very low40.3Very low147 Ų147139 Ų13975%0.75479%0.79SS**  trans-120.3110168.5-59.6178.9000107.5V576I574-V576 HydrophobicContact CG2-CG2 4.07Å
575S35.3Very low40Very low112 Ų112137.5 Ų137.578%0.78379%0.791SS**  trans-88.6120.4170.349.90000109.8
576V32.5Very low39.3Very low117 Ų117140.9 Ų140.971%0.70980%0.798SS**  trans-108.9112.1172-177.10000109.2I574 V578I574-V576 HydrophobicContact CG2-CG2 4.07Å; V576-V578 HydrophobicContact CG1-CG2 4.15Å
577T41Very low39Very low126 Ų126142.4 Ų142.477%0.77380%0.8SS**  trans-12694173.149.70000109.7
578V35.6Very low38.6Very low110 Ų110138.3 Ų138.367%0.66780%0.801SS**  trans-148.4105.2163.7-97.10000106.2V576V576-V578 HydrophobicContact CG1-CG2 4.15Å
579Q36.6Very low38.1Very low175 Ų175142.4 Ų142.482%0.81880%0.804SS**  64.28295.9-71-173.5-66.300112.8
580S35.3Very low38Very low123 Ų123143.3 Ų143.386%0.8680%0.803SS**  trans-78.9111.6160.754.10000109.8
581S40.9Very low37.6Very low116 Ų116144.3 Ų144.381%0.81180%0.799SS**  trans-130.8143.1166.5-71.20000109.6
582T49.3Very low36.9Very low145 Ų145141.1 Ų141.189%0.8980%0.797SS**  trans-89.9141.5-176.749.30000111.9
583E48.4Very low36.2Very low200 Ų200143.2 Ų143.294%0.93580%0.797SS**  trans-132.1154.6158.9-168.7158.578.500109.7
584S37.6Very low36.2Very low111 Ų111138.4 Ų138.478%0.77678%0.781SS**  trans-142.4142.1-167.3176.10000109.7
585A37.5Very low36.1Very low98 Ų98139.1 Ų139.181%0.8178%0.781SS**  trans-134.2145170.500000109.8
586Q32Very low35.9Very low174 Ų174142.9 Ų142.981%0.81378%0.783SS**  trans-107.3157.3-176.8-63.1168.9-46.100109.9
587D35.7Very low36Very low155 Ų155142.2 Ų142.283%0.82978%0.784SS**  170.7125.5121.1-91-19.6000113.2
588T34.5Very low35.5Very low148 Ų148144.5 Ų144.591%0.90879%0.785SS**  trans-178.2147.1136.7-71.10000107.5
589Y28.1Very low35.3Very low213 Ų213145 Ų14584%0.83579%0.788SS**  trans-113.5-178.1-160.3-149.4-103000113.6
590L36.6Very low35Very low150 Ų150142.2 Ų142.279%0.78578%0.783SS**  trans78141.4174.5-59.7171.6000116.2
591D28.9Very low35.1Very low129 Ų129141.1 Ų141.169%0.6978%0.776SS**  cis-162.5154.5-10.4178.855.2000111.4
592S31.2Very low34.6Very low90 Ų90144.5 Ų144.563%0.62978%0.779SS**  trans57.3152.5164.3-70.10000119.6
593Q33.2Very low33.8Very low158 Ų158142.8 Ų142.874%0.73877%0.773SS**  cis-155.6142.4-6-125.4-163.9-4800111
594D31.5Very low33Very low110 Ų110136.5 Ų136.559%0.58876%0.762SS**  trans32.8143.1137.6-56.9-23.6000123.2
595H35.4Very low32.9Very low161 Ų161139 Ų13975%0.74577%0.765SS**  cis-171.6177.93.4-116.918.5000112
596K32.5Very low32.8Very low192 Ų192139.5 Ų139.584%0.83576%0.763SS**  trans88107167.6-59.2-172.7-179.7-177.60116.9
597S33.2Very low32.8Very low103 Ų103139.1 Ų139.172%0.7277%0.767SS**  95.7133.953.267.50000112.4
598E31.3Very low32.6Very low173 Ų173137.1 Ų137.181%0.80877%0.765SS**  cis-170.4178.1-3.9-154-175.3118.600109.6
599V32.5Very low32.6Very low120 Ų120134.7 Ų134.773%0.72775%0.754SS**  trans70.9138.8156.9147.50000117.4
600T29.3Very low32.8Very low117 Ų117131.1 Ų131.172%0.71875%0.749SS**  cis-158.5161.5-0.6-103.40000113
601S37Very low32.5Very low100 Ų100128.8 Ų128.870%0.69975%0.745SS**  trans-25176170.6-39.80000122
602Q30.3Very low32.9Very low188 Ų188130.5 Ų130.588%0.87975%0.754SS**  cis-151.2175.427.3-72.4-170.2-13.400116.2
603S32.5Very low32.8Very low109 Ų109133.1 Ų133.176%0.76276%0.761SS**  trans-41.4162.9165.9-167.20000117.3
604G32.1Very low32.8Very low68 Ų68130 Ų13070%0.70176%0.757SS**  cis-168.1-147.510.100000111.1
605L36.1Very low32.7Very low163 Ų163129.8 Ų129.885%0.85376%0.763SS**  cis-152.1-1433-68.6175000110
606S33.9Very low32.5Very low108 Ų108128.1 Ų128.176%0.75577%0.765SS**  trans-158.5161.8-176.3-600000115.6
607N32.1Very low32.5Very low167 Ų167130.2 Ų130.289%0.89377%0.767SS**  167.5165.4129.1-83.3-6.3000117
608S32.2Very low33.2Very low113 Ų113131 Ų13179%0.7977%0.77SS**  trans-89-168-171.3-40.60000114.6
609S34.2Very low34.1Very low96 Ų96128.8 Ų128.867%0.67177%0.771SS**  cis-166.5171.610.9-143.10000113.4
610D32.4Very low34.3Very low138 Ų138128.8 Ų128.874%0.73878%0.776SS**  trans64.9158.9146.7-85-86.2000122.5
611S29.7Very low34.4Very low102 Ų102130.4 Ų130.471%0.71379%0.785SS**  cis-152-163.1-3.9-140.80000113.9
612L37.3Very low34.4Very low164 Ų164131.4 Ų131.486%0.85979%0.787SS**  trans-108.7163.4-164.3-61.2167000117.3
613D29.9Very low34.7Very low146 Ų146134.3 Ų134.378%0.78179%0.79SS**  151.4-162.6116.2-159.549.6000116
614S32.3Very low34.5Very low93 Ų93133 Ų13365%0.6579%0.794SS**  -141.8170.5-129.6-60.50000118.6
615S29.9Very low34.3Very low105 Ų105133.3 Ų133.373%0.73480%0.797SS**  trans101.5102.3141.6-153.50000123.2
616T30.7Very low34.1Very low125 Ų125133 Ų13377%0.76780%0.801SS**  46.5134121.1-10.60000126.2
617R33.7Very low33.9Very low237 Ų237132 Ų13289%0.89480%0.8SS**  trans91.9128.7148.1-97.2-174.6-179.4-161-1121.3
618P48.4Very low34.5Very low119 Ų119130.3 Ų130.377%0.77380%0.798SS**  trans-126.1166.8170.342.3-31.1000116
619P49.8Very low34.4Very low127 Ų127129.2 Ų129.283%0.82580%0.796SS**  trans-117.7-172.2167.340.4-28.8000114.6
620S35.4Very low34.9Very low120 Ų120129.8 Ų129.884%0.83980%0.797SS**  trans-139.4162.1178.3-41.10000111.7
621V33.3Very low34.5Very low151 Ų151132.4 Ų132.492%0.91581%0.805SS**  trans-167.5176.7157124.30000115
622T36.5Very low34.6Very low120 Ų120131.7 Ų131.774%0.73681%0.805SS**  trans-120.6174-140.5-24.20000118
623R35.6Very low35Very low249 Ų249129.9 Ų129.994%0.9480%0.803SS**  trans78.5154.2167.7-62.7175.6166.7171.3-5.1116.5
624G28.8Very low34.8Very low83 Ų83131.8 Ų131.886%0.85681%0.808SS**  cis167.5166.5-300000109.2
625G28.3Very low35.8Very low73 Ų73131.8 Ų131.875%0.75381%0.805SS**  cis177.2-158.6100000111.5
626V31.2Very low36.8Very low156 Ų156132.1 Ų132.195%0.94581%0.805SS**  trans86.1153168.3-1700000119.3
627A30.6Very low37.6Very low87 Ų87131 Ų13172%0.71980%0.799SS**  trans-142166.9-179.200000111.8
628P43.8Very low37.7Very low133 Ų133128.4 Ų128.486%0.86480%0.795SS**  -154.1-16184.841.9-20.2000116.4
629A31.5Very low36.9Very low89 Ų89131.3 Ų131.374%0.73680%0.798SS**  trans-101.9-166.3178.700000112.5
630P43.3Very low36.1Very low108 Ų108129.7 Ų129.770%0.70180%0.795SS**  cis-149.1-171.726.645.1-22.5000119.9
631E25.7Very low35.7Very low193 Ų193128.9 Ų128.990%0.90279%0.789SS**  trans71.6168149.4-88.9178.7113.900125.8
632A31.1Very low35.6Very low87 Ų87128.6 Ų128.672%0.71978%0.782SS**  trans-145165.6-169.900000112.4
633P45.7Very low35.3Very low126 Ų126131.3 Ų131.382%0.81878%0.783SS**  -162.8149.5116.138.8-17.7000121.1
634E25.7Very low35Very low187 Ų187124 Ų12487%0.87477%0.771SS**  trans65-174136.5-120.6-153.7162.400124.7
635P53.1Low35.1Very low93 Ų93127.5 Ų127.560%0.60476%0.764SS**  -130.1-135.4-12448.2-26.9000115.4
636P50.9Low35.2Very low112 Ų112132.4 Ų132.473%0.72777%0.768SS**  cis-129.8-33.8-27.232.4-18.8000127.8
637P48Very low35.1Very low100 Ų100128 Ų12865%0.64976%0.755SS**  -127.6126.7-122.434.8-17000123.8
638K35.4Very low34.8Very low184 Ų184130 Ų13080%0.876%0.758SS**  75.2155.8127.9-61.5-178.4179.1176.70126.2
639H31Very low34.1Very low180 Ų180131 Ų13183%0.83376%0.755SS**  trans87155.5162-57.6-83.6000120.2
640A33.9Very low33.9Very low92 Ų92133.4 Ų133.476%0.7676%0.761SS**  177.9151.6-51.700000111.6
641S25.7Very low32.9Very low103 Ų103133.1 Ų133.172%0.7276%0.761SS**  trans146.6118.5145.8-173.10000118
642L31.6Very low32.9Very low145 Ų145127.9 Ų127.976%0.75975%0.746SS**  trans48.8155.1133.2-49.1-179.7000122.5
643K31.1Very low32.5Very low178 Ų178132.2 Ų132.277%0.77475%0.751SS**  cis-168165.8-0-126.1174.7-177.8-172.90113.7
644S28.9Very low31.4Very low96 Ų96131.1 Ų131.167%0.67175%0.747SS**  trans65.8150.8156-870000120
645E30Very low31.4Very low155 Ų155130.7 Ų130.772%0.72475%0.745SS**  cis-157-174.7-7.2-142.5160.5114.100114.2
646Q30.8Very low30.9Very low176 Ų176130.9 Ų130.982%0.82275%0.746SS**  trans-63.2171.6177.5-64.8114.4-112.300115.5
647G29.3Very low29.6Very low65 Ų65134.3 Ų134.367%0.6775%0.752SS**  cis151164.9-7.100000114.1
648T24.8Very low28.7Very low128 Ų128134.3 Ų134.379%0.78576%0.761SS**  trans61.898.9155-51.40000119.3
649L27.8Very low28.3Very low153 Ų153129.9 Ų129.980%0.80176%0.758SS**  78.1157.890.8-70.1176000118.1
650T28.6Very low29Very low141 Ų141126.2 Ų126.287%0.86575%0.751SS**  trans76.3154.4168.671.20000118.4
651S22Very low29Very low101 Ų101130.4 Ų130.471%0.70675%0.751SS**  cis-171.5160.1-26.8-178.50000112.1
652S25.4Very low29.4Very low84 Ų84135.6 Ų135.659%0.58776%0.755SS**  trans56.6147.1142.948.40000125.1
653E23.4Very low29.6Very low177 Ų177137.8 Ų137.883%0.82776%0.759SS**  trans58156.8156-89.8100.4104.800121.3
654S22.4Very low29.8Very low104 Ų104137.3 Ų137.373%0.72776%0.764SS**  cis-163.7165-15.747.20000114.4
655H24.5Very low29.9Very low178 Ų178138 Ų13882%0.82477%0.769SS**  trans-19.6171.7153.5-96-141.7000121
656P43.1Very low29.9Very low96 Ų96136.4 Ų136.462%0.62378%0.775SS**  cis-150.2-174.7-26.741.3-21000117.6
657E24.7Very low30.1Very low184 Ų184135.4 Ų135.486%0.8677%0.773SS**  trans57.9123.8135.5-174.8169.4-178.700124.3
658A28.2Very low30.1Very low101 Ų101135.8 Ų135.884%0.83578%0.777SS**  -170.7147.3122.300000112.5
659A27.6Very low30.6Very low90 Ų90136.3 Ų136.374%0.74477%0.774SS**  trans-132.5175.717600000111.4
660P45Very low30.6Very low104 Ų104137 Ų13768%0.67577%0.773SS**  -159139.2105.335.6-14.8000119.8
661K34Very low30.6Very low179 Ų179136.1 Ų136.178%0.77876%0.759SS**  trans70.2139.5130.8-62.8170-171164.70118.5
662R33.7Very low30.9Very low213 Ų213139.6 Ų139.680%0.80476%0.757SS**  cis-149.1147.316.4-66.8-174.9168.881.3-4.2114.4
663K36.3Very low31.1Very low190 Ų190141.6 Ų141.683%0.82677%0.765SS**  trans49.1114.8145.8-64.4-175.7176.1-169.70121.1
664L36.4Very low31.2Very low169 Ų169143.3 Ų143.389%0.88576%0.764SS**  -170.316891.2-94.1177.1000112
665S29.2Very low31.3Very low110 Ų110148.3 Ų148.377%0.76977%0.767SS**  trans-78.9165.6-178.447.60000114.1
666S30.4Very low31.3Very low122 Ų122147.1 Ų147.185%0.85377%0.767SS**  cis-166155.1-19.3-179.10000106.3
667I35.3Very low30.4Very low154 Ų154145.6 Ų145.679%0.7977%0.768SS**  trans-147.6157.9-171.9-151.9166000113I669I667-I669 HydrophobicContact CD1-CD1 4.33Å
668G29.7Very low30.4Very low73 Ų73143 Ų14375%0.75377%0.771SS**  trans-150.1109.8171.500000112.1
669I35.2Very low30.2Very low140 Ų140146.1 Ų146.172%0.71877%0.768SS**  trans-149.9118.4176.8-55.6176000109.4I667I667-I669 HydrophobicContact CD1-CD1 4.33Å
670Q27.4Very low30.1Very low167 Ų167148.4 Ų148.478%0.7877%0.767SS**  trans-167.7142.9153.1-123.4140.321.700108.9
671E29.2Very low29.1Very low123 Ų123147.3 Ų147.358%0.57576%0.762SS**  cis94.9128.920.1-152.5-145.7174.500115.7
672R27.1Very low28.7Very low174 Ų174147 Ų14766%0.65776%0.763SS**  trans88.8109.2162.8-59.5-159.4-17576.413.3123.4
673T29.6Very low28.4Very low125 Ų125143.6 Ų143.677%0.76776%0.761SS**  42137.7112.3-60000124.5
674R26.3Very low28Very low214 Ų214141.7 Ų141.781%0.80876%0.759SS**  trans101.2104.1146.5-66.7-177.1178-168.71.7121.5
675R23.5Very low27.4Very low208 Ų208136.6 Ų136.679%0.78575%0.748SS**  49.4139.5112-138.3-158.8-69.5141.7-8.4122.4
676N26Very low28.1Very low153 Ų153137.2 Ų137.282%0.81875%0.749SS**  trans76.5144.5173.1-57.120.2000114.7
677G24Very low28.1Very low64 Ų64141.2 Ų141.266%0.6675%0.752SS**  cis156.1152.6-8.800000112.8
678S23.9Very low28Very low131 Ų131137.6 Ų137.692%0.91674%0.744SS**  trans72.7155.8179.578.60000117
679H24.4Very low28.2Very low165 Ų165141.4 Ų141.476%0.76475%0.746SS**  cis-174.4148.4-25.4178.2-126000111.1
680L25.7Very low27.7Very low139 Ų139141.1 Ų141.173%0.72875%0.746SS**  trans77.5151.7161.6-92.4173.9000124.8
681S24.8Very low27.9Very low80 Ų80139.4 Ų139.456%0.55975%0.747SS**  trans78.7118.5151.3-73.90000124.3
682E25.1Very low27.9Very low173 Ų173142.7 Ų142.781%0.80876%0.764SS**  51.4149.5129.8-64.8145.4123.700120.3
683D26.6Very low27.9Very low141 Ų141138.6 Ų138.675%0.75477%0.768SS**  cis-160.4-167.237.7-168.621.1000114
684N28.6Very low28.3Very low150 Ų150138.9 Ų138.980%0.80277%0.771SS**  trans-66171.9-169.8-76.5-81.8000119.9
685G22.9Very low28.4Very low63 Ų63134.2 Ų134.265%0.64977%0.772SS**  trans-119.9171.7163.400000112.8
686P44.6Very low28.8Very low122 Ų122128.8 Ų128.879%0.79277%0.766SS**  -162.3164.4108.540.5-20.9000119.2
687K31Very low28.9Very low207 Ų207130 Ų13090%0.977%0.766SS**  trans58.5-177.4147.7-74.3-178.4179.1-176.50120.7
688A33.3Very low29.1Very low77 Ų77130.6 Ų130.664%0.63676%0.761SS**  -173.4-178.8-54.200000111.8
689I32.2Very low29.7Very low154 Ų154129.4 Ų129.479%0.7975%0.752SS**  trans82.1143.5160.9-55.3175.6000118.5
690D25.8Very low30.1Very low134 Ų134127.3 Ų127.372%0.71775%0.751SS**  cis-169.5158.2-40.9-93.1-41.1000114.2
691V32.3Very low30.9Very low131 Ų131126.3 Ų126.379%0.79475%0.753SS**  trans28.5124.4150.1-174.50000124.2
692M29Very low31.4Very low191 Ų191127.8 Ų127.894%0.94176%0.763SS**  -177.1169123.4-116.4-176.7178.100115.1
693A25.6Very low31.9Very low89 Ų89128 Ų12874%0.73676%0.764SS**  trans-137.4169.1-177.900000112.8
694P38.5Very low32.4Very low130 Ų130126.6 Ų126.684%0.84477%0.765SS**  -149.4173.596.739.8-22.3000116
695S29.4Very low32.7Very low117 Ų117127.4 Ų127.482%0.81877%0.766SS**  trans-86.2175.5172.657.40000112.5
696S31.1Very low33.5Very low93 Ų93129.8 Ų129.865%0.6577%0.772SS**  cis-133.5-157.55.851.40000109.9
697E28.7Very low33.4Very low178 Ų178129.9 Ų129.983%0.83278%0.776SS**  cis-168.5-171.66.2-137.2163.296.600107.2
698S28.5Very low34.1Very low78 Ų78129.8 Ų129.855%0.54577%0.77SS.*  cis-155.4-164.3-2.968.90000109.5V700S698-V700 VanDerWaalsContact C-N 3.32Å; S698-V700 PolarHBondContact O-N 3.43Å
699S36Very low34.6Very low106 Ų106135.5 Ų135.574%0.74178%0.775SS**SBendtrans54.130.4154.6-48.80000118.7
700V31.5Very low34.8Very low121 Ų121134.1 Ų134.173%0.73377%0.769SS**  16.4156126.9-71.10000120.9S698S698-V700 VanDerWaalsContact C-N 3.32Å; S698-V700 PolarHBondContact O-N 3.43Å
701P43.8Very low35.3Very low117 Ų117134 Ų13476%0.7677%0.773SS**  cis-143.8173.3-31.638.2-21.4000115
702S35.7Very low35.3Very low111 Ų111134.3 Ų134.378%0.77677%0.771SS**  -173.7157.8-53.3-100.80000108.9
703H35.5Very low35.4Very low178 Ų178130 Ų13082%0.82476%0.759SS**  trans-99.2171.2-170-51.3-103.6000114.3
704S36.5Very low35.5Very low111 Ų111132.2 Ų132.278%0.77676%0.759SS**  trans79.5134.4142.4-62.50000122.7
705M34.6Very low35.2Very low168 Ų168131.6 Ų131.683%0.82875%0.753SS**  trans50.1121.7133-62.2-82.7-79.200122.5
706S39.6Very low35.1Very low112 Ų112133.9 Ų133.978%0.78375%0.75SS**  trans83.1149.4141.3-65.90000123.2
707S41.8Very low34.9Very low125 Ų125136 Ų13687%0.87476%0.755SS**  trans89.7-178.5160.3-144.70000119.8
708R46.9Very low35Very low205 Ų205131 Ų13177%0.77474%0.744SS**  trans-132.4159.1-155.7-59.8174.1151.8-163.8-5.5115.8
709R43Very low35.1Very low197 Ų197134.6 Ų134.674%0.74376%0.757SS**  trans81.8120.3151.7-70-165.3175.9145.4-8.1122.1
710D37.1Very low34.8Very low124 Ų124136.3 Ų136.366%0.66376%0.758SS**  55.4144.6120.5-37.5-30.6000123.6
711T36.9Very low34.7Very low131 Ų131135.5 Ų135.580%0.80476%0.758SS**  trans75.4148.8165.268.40000118.1
712D31.7Very low33.8Very low139 Ų139134.9 Ų134.974%0.74376%0.756SS**  cis-156.2-162.4-6.6-136.1-80.4000115.1
713S30.4Very low33.2Very low99 Ų99134.6 Ų134.669%0.69275%0.753SS**  trans-79.8-176.7-178.2-40.80000114.2
714D28.3Very low32.8Very low137 Ų137137 Ų13773%0.73376%0.761SS**  cis-165.1168.311.8-155.1-13.2000112.5
715T31.1Very low32.3Very low116 Ų116135.7 Ų135.771%0.71275%0.752SS**  trans60.5169.2162.960.30000121.1
716Q27.9Very low31.8Very low165 Ų165132.5 Ų132.577%0.77175%0.746SS**  cis169.6146.1-38.9-176.51512200108.2
717D27.4Very low31.1Very low138 Ų138133.4 Ų133.474%0.73874%0.738SS**  cis-159.2-172.22.7-140.4-45.3000112.6
718A31.5Very low30.4Very low74 Ų74137.1 Ų137.161%0.61273%0.733SS**  trans89.8112.9143.100000125
719N29.8Very low29.3Very low152 Ų152132.6 Ų132.681%0.81373%0.733SS**  trans58.7148.1140.4-60.37.4000121.4
720D28.7Very low28.4Very low142 Ų142130.6 Ų130.676%0.75974%0.736SS**  cis-155.6175.46.6-142.1-51.5000112.8
721S31.3Very low28.9Very low105 Ų105130.3 Ų130.373%0.73474%0.741SS**  trans92.8110.116177.70000122.9
722S24.6Very low28.1Very low104 Ų104131.1 Ų131.173%0.72774%0.74SS**  trans47.897.8139.3-173.60000122.6
723C23.3Very low27.7Very low105 Ų105129 Ų12971%0.70974%0.735SS**SBend170.4130115.9-970000111.9S725C723-S725 PolarHBondContact N-OG 2.85Å
724K25.4Very low27.8Very low227 Ų227130.5 Ų130.599%0.98774%0.74SS**SBendtrans54.664.3-174.6-61.7-175.2178.3-178.30112.5
725S27.1Very low28.5Very low85 Ų85128.8 Ų128.859%0.59474%0.737SS**  trans-120.5144.1-161.6-49.70000113.7C723C723-S725 PolarHBondContact N-OG 2.85Å
726S24Very low28.4Very low101 Ų101131.9 Ų131.971%0.70674%0.743SS**  trans59.2140.2150.8-70.90000120.4
727E25.2Very low29.6Very low131 Ų131128.9 Ų128.961%0.61274%0.737SS**  cis-169.5176.6-10.4-134168.499.700112.3
728R27.1Very low29.6Very low203 Ų203129.3 Ų129.377%0.76674%0.74SS**  trans71.2114.1147.2-79.9174.7-158.1-106.9-13.7123.1
729S24.3Very low29.6Very low110 Ų110130.3 Ų130.377%0.76974%0.742SS**  70.8157.1118.178.40000123.6
730L22.6Very low29.6Very low155 Ų155131 Ų13181%0.81275%0.745SS**  trans-47.4167.3150.8-62.2168.3000112.6
731P48.3Very low29.5Very low117 Ų117129 Ų12976%0.7674%0.741SS**  cis-135.7-149.6-34.437.3-17.3000111.2
732D19.8Very low29.8Very low148 Ų148130.9 Ų130.979%0.79174%0.742SS**  trans94.2166.9149.1-134.1-13.4000120.5
733C23.5Very low30Very low95 Ų95132.5 Ų132.564%0.64274%0.742SS**  trans-102.7141.2-138.2-670000118.9
734T33.7Very low30.5Very low130 Ų130131.8 Ų131.880%0.79874%0.744SS**  trans64.2179.6144.465.90000118.3
735P41.3Very low30.9Very low101 Ų101124.3 Ų124.366%0.65673%0.731SS**  cis-131146-16.926.7-5.3000116.9
736H29.4Very low31.8Very low181 Ų181126.4 Ų126.484%0.83874%0.743SS**  trans55-161.9144.8-58.1-59.5000119.4
737P53.7Low31.9Very low102 Ų102133.2 Ų133.266%0.66275%0.753SS**  -133.3178.5-94.943.3-26.9000116.1
738N27.1Very low32.1Very low148 Ų148136.3 Ų136.379%0.79177%0.767SS**  trans162.9128.3138.6-81-20.1000108.4
739S31Very low32.2Very low95 Ų95130.9 Ų130.966%0.66477%0.766SS**  cis102.7110.325.575.60000114.2
740I30.4Very low33Very low167 Ų167130.4 Ų130.486%0.85676%0.76SS**  trans-161.4108.5158.4-94.6140.9000103.5
741S26Very low33.2Very low99 Ų99131.7 Ų131.769%0.69276%0.759SS**  78.1127.173.3-170.60000110.8
742I38.3Very low32.2Very low145 Ų145132.9 Ų132.974%0.74476%0.758SS**  cis-153.1167.92.5-130.4169.2000106.7
743D29.6Very low32.6Very low138 Ų138130 Ų13074%0.73876%0.755SS**  cis-154-176.327.2-146.8-11.8000115.2
744A33.3Very low32.8Very low89 Ų89133.3 Ų133.374%0.73676%0.761SS**  trans-66175.4167.900000115.3
745G33.7Very low32.7Very low71 Ų71133.1 Ų133.173%0.73275%0.753SS**  cis162.5-163.70.800000109.5
746P46.5Very low32.2Very low128 Ų128138 Ų13883%0.83177%0.765SS**  cis-124.9174.1-12.541-27.2000113.6
747R26.2Very low32.2Very low245 Ų245140.2 Ų140.293%0.92577%0.765SS**  trans-114.6148.6154.3-81.6-171.5177.7-131.64.1109.6
748Q28.8Very low31.1Very low195 Ų195142.8 Ų142.891%0.91177%0.774SS**  trans-100.3150.9156.7-69.5-168.2-1.700110.3
749A28.8Very low31.2Very low90 Ų90143.4 Ų143.474%0.74478%0.776SS**  trans-97.8-166.1170.300000108.3
750P40.6Very low31.2Very low99 Ų99144.1 Ų144.164%0.64378%0.781SS**  cis-145.2-167.61.744.8-25.7000115.8
751K26.3Very low31.1Very low182 Ų182146.1 Ų146.179%0.79178%0.779SS**  trans71.9152.2155.1-68.9174.4-176.9178.80117
752I28Very low31.5Very low143 Ų143144 Ų14473%0.73377%0.773SS**  cis-158.4154.4-14-117.9167.2000110.2
753A27.7Very low31.2Very low88 Ų88144.3 Ų144.373%0.72778%0.776SS**  trans65.1166.4167.600000115.9
754Q27.6Very low31.3Very low164 Ų164144.9 Ų144.977%0.76678%0.779SS**  cis-133.8151.613.2-86.7-174.3-23.500114.6
755I32.1Very low31.4Very low125 Ų125145.6 Ų145.664%0.64178%0.779SS**  trans41.7109139.1-51164000117.7
756K30.4Very low31.4Very low205 Ų205148.9 Ų148.989%0.89178%0.779SS**  trans-124.2133.9137.9-81.3-166173.2-173.20109.5
757R30.4Very low31.4Very low226 Ų226149 Ų14985%0.85378%0.78SS**  trans-82.3131.7166-66.8-178.317991.2-3.1107.9
758N30.1Very low32.1Very low156 Ų156140.7 Ų140.783%0.83476%0.764SS**  trans-137.4120.4155.5-86.8-19.4000105.5
759L30Very low32.5Very low162 Ų162139.7 Ų139.785%0.84876%0.764SS**  trans-127127.5163.6-131.278000106.8
760S29.8Very low33Very low109 Ų109140 Ų14076%0.76275%0.75SS**  trans-75.7142.7173.9-175.70000109.8
761Y28.7Very low32.8Very low209 Ų209140 Ų14082%0.8276%0.758SS**  trans-125.2135148.1-95.9-101.7000106.2
762G33.8Very low33.6Very low54 Ų54135.8 Ų135.856%0.55775%0.752SS**  cis105.9104.710.100000109.5
763D32.2Very low34.1Very low152 Ų152133.6 Ų133.681%0.81375%0.749SS**  trans-53.8139.9-179.6178.331.4000112.7
764N32.9Very low34.6Very low150 Ų150137.2 Ų137.280%0.80276%0.756SS**  trans-169.5138.9153.7-105.1-73.7000110.6
765S34.3Very low35.4Very low104 Ų104134.5 Ų134.573%0.72775%0.752SS**  trans-83.9140.5-177.255.20000114.3
766D33.3Very low36Very low140 Ų140134.4 Ų134.475%0.74976%0.759SS**  trans-158.1116.6138.4-157.8-8.8000111.1A768D766-A768 PolarHBondContact O-N 3.25Å
767P46.7Very low36.6Very low131 Ų131130.3 Ų130.385%0.85175%0.754SS**  trans-88.372-178.635.6-35.1000112.4
768A42.3Very low36.9Very low70 Ų70126.4 Ų126.458%0.57975%0.75SS**  trans-140.8151177.700000114.3D766D766-A768 PolarHBondContact O-N 3.25Å
769L36.9Very low37.5Very low174 Ų174124.5 Ų124.591%0.91175%0.746SS**  trans75.9104.4175.2-48.8-176.2000116.9
770E38.5Very low38.4Very low96 Ų96127.1 Ų127.145%0.44975%0.745SS.*  trans-60.3152.4160.3-88.3-144114.600112.5Q462Q462-E770 PolarHBondContact NE2-OE2 2.9Å
771A36.8Very low38.9Very low99 Ų99130 Ų13082%0.81875%0.751SS**  trans-136.824.816400000113.8S773A771-S773 PolarHBondContact O-N 3Å
772S42.8Very low38.9Very low95 Ų95128.8 Ų128.866%0.66475%0.753SS**  trans-75.863.5174.5-65.70000112.4
773S39.9Very low39.2Very low96 Ų96133.2 Ų133.267%0.67177%0.769SS**  trans-159.155.8177.7-83.30000115.5A771A771-S773 PolarHBondContact O-N 3Å
774L37.9Very low39.1Very low165 Ų165131.3 Ų131.386%0.86477%0.768SS**  trans-139.8142.7153.9-76.7-179.1000110.5
775P44.4Very low38.9Very low106 Ų106129.7 Ų129.769%0.68877%0.768SS**PPolyproline II helixtrans-70.8151.8169.931.7-34.5000110.6
776P44.2Very low38.7Very low123 Ų123130.1 Ų130.180%0.79977%0.771SS**PPolyproline II helixtrans-62.3134.1172.127.1-33.9000110.2
777P42.1Very low38.7Very low120 Ų120129.1 Ų129.178%0.77978%0.775SS**PPolyproline II helixtrans-71.5147179.229.1-34.5000111.8
778D37.1Very low38.8Very low143 Ų143128.8 Ų128.877%0.76577%0.773SS**PPolyproline II helixtrans-59.6135.3175-87.4-57.4000111.5W780D778-W780 PolarHBondContact O-N 3.48Å
779P43.2Very low38.4Very low116 Ų116130.2 Ų130.275%0.75379%0.785SS**THydrogen-bonded Turntrans-79.238.7-16733.8-39.3000114.6
780W48.4Very low38.2Very low218 Ų218130.9 Ų130.983%0.82678%0.783SS**THydrogen-bonded Turntrans-1259-170-71.8100.8000115.2D778D778-W780 PolarHBondContact O-N 3.48Å
781L40.3Very low38.4Very low168 Ų168131.7 Ų131.788%0.8880%0.797SS**  trans-13664.2-177.4-71.4177.8000114.5
782E28.6Very low38.5Very low184 Ų184131.6 Ų131.686%0.8680%0.796SS**  trans-140122143.8-79.6-148.1159.700111.3
783T39.6Very low38.3Very low147 Ų147135.1 Ų135.190%0.90280%0.802SS**  trans-156.579.5162.4-58.50000109.8
784S30.9Very low38.4Very low112 Ų112136.4 Ų136.478%0.78381%0.808SS**  trans-166.1129167.647.60000108.7
785S29.8Very low38.5Very low117 Ų117131.4 Ų131.482%0.81880%0.796SS**  cis-165.8151.29.357.60000112.9
786S28.2Very low38.6Very low113 Ų113130.7 Ų130.779%0.7980%0.799SS**SBendtrans-161.747.615455.70000116.4
787S34.3Very low39Very low118 Ų118130.3 Ų130.383%0.82580%0.798SS**  trans74.9175.5149.690.50000117.4
788P49.3Very low40.4Very low124 Ų124134.2 Ų134.281%0.80580%0.798SS**  -139.8142.4-114.135.9-13.3000118.7
789A32.5Very low42.6Very low100 Ų100134.5 Ų134.583%0.82679%0.788SS**  trans-157.4117.2158.500000113.6
790E32.9Very low44.7Very low189 Ų189131.4 Ų131.488%0.88377%0.765SS**  trans57142.6165.8-77.6-80.681.700120.7
791P43Very low46.7Very low113 Ų113121 Ų12173%0.73473%0.725SS**  trans-109.6117.3-17138-28.8000115.2
792A38.5Very low49.2Very low97 Ų97119.9 Ų119.980%0.80271%0.711SS**  trans-119.952.6-178.500000115.1
793Q38.5Very low52.4Low169 Ų169116 Ų11679%0.7969%0.688SS**  trans67154.1173.7-55-66.2-42.200116.7G795Q793-G795 VanDerWaalsContact C-N 3.31Å; Q793-G795 PolarHBondContact O-N 3.05Å
794P42.1Very low55Low123 Ų123109 Ų10980%0.79965%0.645SS**SBendtrans-66.594.8155.4-9.526.4000107.6A796P794-A796 PolarHBondContact O-N 3.42Å; P794-A796 VanDerWaalsContact O-N 3.16Å
795G40.2Very low58.1Low60 Ų60105.4 Ų105.462%0.61962%0.617SS**  trans-56.3119.3-170.300000112.3Q793 C797Q793-G795 VanDerWaalsContact C-N 3.31Å; Q793-G795 PolarHBondContact O-N 3.05Å; G795-C797 PolarHBondContact O-N 2.92Å
796A47.7Very low61.2Low90 Ų90107.7 Ų107.774%0.74461%0.612SS**  trans-51.8124.6175.200000109.7P794 R798P794-A796 PolarHBondContact O-N 3.42Å; P794-A796 VanDerWaalsContact O-N 3.16Å; A796-R798 PolarHBondContact O-N 3.45Å
797C52.6Low64.4Low116 Ų116105 Ų10578%0.78459%0.589SS**  trans-47.9104.5-165.9-55.40000111.5G795 R799G795-C797 PolarHBondContact O-N 2.92Å; C797-R799 PolarHBondContact O-N 3.14Å
798R71.4Confident67.3Low202 Ų20299.7 Ų99.776%0.76255%0.551SS**  trans-68.6118.7-179-56.6-172.192.2-107.75.3106.8A796 D800A796-R798 PolarHBondContact O-N 3.45Å; R798-D800 PolarHBondContact O-N 2.69Å
799R82.4Confident69.6Low149 Ų14998.5 Ų98.556%0.56254%0.535SS*.  trans-74.478.8174.6-72.1-174.3-92.6167.9-6.2108.6C797 W803 F804 A875C797-R799 PolarHBondContact O-N 3.14Å; R799-W803 HydrophobicContact CB-CD2 4.28Å; R799-W803 HydrophobicContact CB-CE3 3.89Å; R799-W803 HydrophobicContact CB-CZ3 4.36Å; R799-W803 HydrophobicContact CG-CD2 3.76Å; R799-W803 HydrophobicContact CG-CE3 3.66Å; R799-W803 HydrophobicContact CG-CG 4.35Å; R799-W803 HydrophobicContact CG-CH2 4.24Å; R799-W803 HydrophobicContact CG-CZ2 4.33Å; R799-W803 HydrophobicContact CG-CZ3 3.91Å; R799-F804 HydrophobicContact CB-CE2 3.95Å; R799-F804 HydrophobicContact CB-CZ 4.29Å; R799-F804 WeakPolarHBondContact O-CE2 3.41Å; R799-A875 VanDerWaalsContact O-CB 3.22Å; R799-A875 WeakPolarHBondContact O-CB 3.29Å
800D86.8Confident72.6Confident50 Ų5096.4 Ų96.427%0.26752%0.517SS..  trans-95.6178.3178.264.79.7000111.3R798 Y802 W803 F804R798-D800 PolarHBondContact O-N 2.69Å; D800-Y802 PolarHBondContact O-N 2.87Å; D800-Y802 WeakPolarHBondContact OD1-CB 3.22Å; D800-Y802 PolarHBondContact OD1-N 3.11Å; D800-Y802 VanDerWaalsContact OD1-N 3.11Å; D800-W803 PolarHBondContact O-N 3.28Å; D800-W803 VanDerWaalsContact O-N 3.12Å; D800-W803 PolarHBondContact OD1-N 2.72Å; D800-F804 VanDerWaalsContact O-CD2 3.24Å; D800-F804 WeakPolarHBondContact O-CD2 3.48Å; D800-F804 PolarHBondContact O-N 3.43Å
801G91.4Very high75.6Confident0 Ų088.4 Ų88.40%048%0.48CS..Hα-helixtrans-55.6-30.5176.800000113.8L805 N864G801-L805 VanDerWaalsContact O-CB 3.26Å; G801-L805 WeakPolarHBondContact O-CB 3.36Å; G801-L805 WeakPolarHBondContact O-CD1 3.4Å; G801-L805 WeakPolarHBondContact O-CG 3.29Å; G801-L805 PolarHBondContact O-N 3.06Å; G801-N864 PolarHBondContact N-OD1 3.4Å
802Y93.6Very high78.1Confident145 Ų14584.5 Ų84.557%0.56945%0.454SS*.Hα-helixtrans-70.5-41176.2-69-62.9000112.1D800 L805 K806 L865D800-Y802 PolarHBondContact O-N 2.87Å; D800-Y802 WeakPolarHBondContact OD1-CB 3.22Å; D800-Y802 PolarHBondContact OD1-N 3.11Å; D800-Y802 VanDerWaalsContact OD1-N 3.11Å; Y802-L805 PolarHBondContact O-N 3.48Å; Y802-K806 WeakPolarHBondContact O-CG 3.49Å; Y802-K806 PolarHBondContact O-N 3.2Å; Y802-L865 HydrophobicContact CD1-CD1 3.62Å; Y802-L865 HydrophobicContact CD1-CD2 4.44Å; Y802-L865 HydrophobicContact CD2-CD1 4.13Å; Y802-L865 HydrophobicContact CD2-CD2 3.41Å; Y802-L865 VanDerWaalsContact CD2-CD2 3.41Å; Y802-L865 HydrophobicContact CD2-CG 4.41Å; Y802-L865 HydrophobicContact CE1-CD1 3.51Å; Y802-L865 HydrophobicContact CE1-CD2 4.49Å; Y802-L865 HydrophobicContact CE2-CD1 4.04Å; Y802-L865 HydrophobicContact CE2-CD2 3.48Å; Y802-L865 VanDerWaalsContact CE2-CD2 3.48Å; Y802-L865 HydrophobicContact CE2-CG 4.31Å; Y802-L865 HydrophobicContact CG-CD1 3.92Å; Y802-L865 HydrophobicContact CG-CD2 3.92Å
803W94.3Very high80.9Confident101 Ų10185.2 Ų85.238%0.38344%0.441SS..Hα-helixtrans-61.8-46.7173.8-174.482.7000111.3R799 D800 K806 L807R799-W803 HydrophobicContact CB-CD2 4.28Å; R799-W803 HydrophobicContact CB-CE3 3.89Å; R799-W803 HydrophobicContact CB-CZ3 4.36Å; R799-W803 HydrophobicContact CG-CD2 3.76Å; R799-W803 HydrophobicContact CG-CE3 3.66Å; R799-W803 HydrophobicContact CG-CG 4.35Å; R799-W803 HydrophobicContact CG-CH2 4.24Å; R799-W803 HydrophobicContact CG-CZ2 4.33Å; R799-W803 HydrophobicContact CG-CZ3 3.91Å; D800-W803 PolarHBondContact O-N 3.28Å; D800-W803 VanDerWaalsContact O-N 3.12Å; D800-W803 PolarHBondContact OD1-N 2.72Å; W803-K806 PolarHBondContact O-N 2.84Å; W803-L807 HydrophobicContact CE3-CD2 4.48Å; W803-L807 HydrophobicContact CH2-CD2 3.58Å; W803-L807 HydrophobicContact CZ2-CD2 4.19Å; W803-L807 HydrophobicContact CZ3-CD2 3.75Å; W803-L807 WeakPolarHBondContact O-CB 3.34Å; W803-L807 PolarHBondContact O-N 3.14Å
804F95.3Very high83.7Confident2 Ų281.5 Ų81.51%0.00942%0.419CS..Hα-helixtrans-67.3-36178.1-77.2-69.8000113.2R799 D800 L807 L808 F857 C861 L878 A879 W882R799-F804 HydrophobicContact CB-CE2 3.95Å; R799-F804 HydrophobicContact CB-CZ 4.29Å; R799-F804 WeakPolarHBondContact O-CE2 3.41Å; D800-F804 VanDerWaalsContact O-CD2 3.24Å; D800-F804 WeakPolarHBondContact O-CD2 3.48Å; D800-F804 PolarHBondContact O-N 3.43Å; F804-L807 PolarHBondContact O-N 3.04Å; F804-L808 VanDerWaalsContact O-CB 3.26Å; F804-L808 WeakPolarHBondContact O-CB 3.4Å; F804-L808 PolarHBondContact O-N 3.21Å; F804-F857 HydrophobicContact CB-CE1 3.86Å; F804-F857 HydrophobicContact CB-CZ 3.78Å; F804-F857 HydrophobicContact CD1-CE1 4.09Å; F804-F857 AromaticContact CD1-CZ 3.58Å; F804-F857 HydrophobicContact CD1-CZ 3.58Å; F804-F857 HydrophobicContact CE1-CZ 4.32Å; F804-F857 HydrophobicContact CG-CE1 4.32Å; F804-F857 AromaticContact CG-CZ 3.82Å; F804-F857 HydrophobicContact CG-CZ 3.82Å; F804-C861 VanDerWaalsContact CB-SG 3.58Å; F804-L878 HydrophobicContact CB-CD1 4.46Å; F804-L878 HydrophobicContact CD2-CB 3.63Å; F804-L878 HydrophobicContact CD2-CD1 3.6Å; F804-L878 HydrophobicContact CD2-CG 4.3Å; F804-L878 HydrophobicContact CE2-CB 3.56Å; F804-L878 HydrophobicContact CE2-CD1 4.2Å; F804-L878 HydrophobicContact CG-CB 4.2Å; F804-L878 HydrophobicContact CG-CD1 4.3Å; F804-L878 HydrophobicContact CZ-CB 4.05Å; F804-A879 HydrophobicContact CZ-CB 3.92Å; F804-W882 HydrophobicContact CD1-CB 4.09Å; F804-W882 HydrophobicContact CD1-CD2 4.5Å; F804-W882 HydrophobicContact CD1-CG 4.17Å; F804-W882 HydrophobicContact CE1-CB 3.73Å; F804-W882 AromaticContact CE1-CG 3.95Å; F804-W882 HydrophobicContact CE1-CG 3.95Å
805L95Very high86.2Confident35 Ų3575.6 Ų75.618%0.18338%0.381CS..Hα-helixtrans-64.3-43173.8-78.2166000112.2G801 Y802 L807 L808 Q809 R858 C861 E862 L865G801-L805 VanDerWaalsContact O-CB 3.26Å; G801-L805 WeakPolarHBondContact O-CB 3.36Å; G801-L805 WeakPolarHBondContact O-CD1 3.4Å; G801-L805 WeakPolarHBondContact O-CG 3.29Å; G801-L805 PolarHBondContact O-N 3.06Å; Y802-L805 PolarHBondContact O-N 3.48Å; L805-L807 VanDerWaalsContact C-N 3.34Å; L805-L808 PolarHBondContact O-N 3.49Å; L805-Q809 WeakPolarHBondContact O-CB 3.33Å; L805-Q809 PolarHBondContact O-N 3.19Å; L805-R858 HydrophobicContact CD2-CB 4.4Å; L805-R858 HydrophobicContact CD2-CG 3.66Å; L805-C861 HydrophobicContact CD1-CB 4.16Å; L805-C861 HydrophobicContact CD2-CB 3.93Å; L805-C861 HydrophobicContact CG-CB 3.65Å; L805-E862 HydrophobicContact CD1-CG 4.35Å; L805-L865 HydrophobicContact CD1-CD1 3.9Å
806K95.5Very high88.9Confident165 Ų16578 Ų7872%0.71738%0.376SS*.Hα-helixtrans-64.5-39.2175.9-74.1-177.5177.6-175.10112.1Y802 W803 Q809 A810Y802-K806 WeakPolarHBondContact O-CG 3.49Å; Y802-K806 PolarHBondContact O-N 3.2Å; W803-K806 PolarHBondContact O-N 2.84Å; K806-Q809 PolarHBondContact O-N 2.84Å; K806-A810 PolarHBondContact O-N 2.95Å
807L95.3Very high91.2Very high57 Ų5775.6 Ų75.630%0.29836%0.36SS..Hα-helixtrans-69.1-41.4177.3-171.662.5000111.8W803 F804 L805 Q809 E811 W882W803-L807 HydrophobicContact CE3-CD2 4.48Å; W803-L807 HydrophobicContact CH2-CD2 3.58Å; W803-L807 HydrophobicContact CZ2-CD2 4.19Å; W803-L807 HydrophobicContact CZ3-CD2 3.75Å; W803-L807 WeakPolarHBondContact O-CB 3.34Å; W803-L807 PolarHBondContact O-N 3.14Å; F804-L807 PolarHBondContact O-N 3.04Å; L805-L807 VanDerWaalsContact C-N 3.34Å; L807-Q809 VanDerWaalsContact C-N 3.35Å; L807-E811 WeakPolarHBondContact O-CB 3.11Å; L807-E811 PolarHBondContact O-N 2.98Å; L807-E811 VanDerWaalsContact O-N 3.11Å; L807-W882 HydrophobicContact CD1-CZ2 4.32Å; L807-W882 HydrophobicContact CD2-CD2 4.17Å; L807-W882 VanDerWaalsContact CD2-CE2 3.44Å; L807-W882 HydrophobicContact CD2-CH2 4.1Å; L807-W882 HydrophobicContact CD2-CZ2 3.42Å; L807-W882 VanDerWaalsContact CD2-CZ2 3.42Å; L807-W882 HydrophobicContact CG-CH2 3.74Å; L807-W882 HydrophobicContact CG-CZ2 3.47Å; L807-W882 VanDerWaalsContact CG-CZ2 3.47Å; L807-W882 HydrophobicContact CG-CZ3 4.49Å
808L96.2Very high93.3Very high7 Ų772.3 Ų72.34%0.03733%0.332CS..Hα-helixtrans-60.4-42.6172.6-17767.8000111.8F804 L805 E811 T812 F854 F857 R858 W882 L885F804-L808 VanDerWaalsContact O-CB 3.26Å; F804-L808 WeakPolarHBondContact O-CB 3.4Å; F804-L808 PolarHBondContact O-N 3.21Å; L805-L808 PolarHBondContact O-N 3.49Å; L808-E811 PolarHBondContact O-N 3.23Å; L808-T812 WeakPolarHBondContact O-CB 3.46Å; L808-T812 PolarHBondContact O-N 2.91Å; L808-T812 PolarHBondContact O-OG1 2.95Å; L808-F854 HydrophobicContact CD1-CB 3.8Å; L808-F854 HydrophobicContact CD1-CD1 4.16Å; L808-F854 HydrophobicContact CD1-CD2 3.43Å; L808-F854 VanDerWaalsContact CD1-CD2 3.43Å; L808-F854 HydrophobicContact CD1-CE2 3.92Å; L808-F854 HydrophobicContact CD1-CG 3.54Å; L808-F854 HydrophobicContact CD1-CZ 4.44Å; L808-F854 HydrophobicContact CD2-CB 4.49Å; L808-F854 HydrophobicContact CG-CB 4.47Å; L808-F854 HydrophobicContact CG-CD2 4.23Å; L808-F857 HydrophobicContact CB-CD1 4.31Å; L808-F857 HydrophobicContact CD1-CD1 3.96Å; L808-F857 HydrophobicContact CD2-CD1 4.01Å; L808-F857 HydrophobicContact CG-CD1 4.32Å; L808-R858 HydrophobicContact CD2-CB 3.89Å; L808-R858 HydrophobicContact CD2-CG 4.41Å; L808-W882 HydrophobicContact CB-CZ3 4.36Å; L808-W882 HydrophobicContact CD1-CZ3 4.12Å; L808-L885 HydrophobicContact CD1-CD2 3.82Å
809Q95.9Very high94.5Very high98 Ų9862.9 Ų62.946%0.45830%0.297SS..Hα-helixtrans-61.2-51.9179.7-177.461.533.800111.4L805 K806 L807 E811 T812 E813L805-Q809 WeakPolarHBondContact O-CB 3.33Å; L805-Q809 PolarHBondContact O-N 3.19Å; K806-Q809 PolarHBondContact O-N 2.84Å; L807-Q809 VanDerWaalsContact C-N 3.35Å; Q809-E811 VanDerWaalsContact C-N 3.25Å; Q809-E811 PolarHBondContact O-N 2.92Å; Q809-T812 WeakPolarHBondContact O-CB 3.48Å; Q809-T812 PolarHBondContact O-N 3.48Å; Q809-E813 WeakPolarHBondContact CG-OE1 3.41Å; Q809-E813 PolarHBondContact NE2-OE1 3.49Å; Q809-E813 WeakPolarHBondContact O-CG 3.49Å; Q809-E813 PolarHBondContact O-N 3.29Å
810A96.1Very high95.1Very high56 Ų5659.4 Ų59.446%0.46329%0.294SS..Hα-helixtrans-60.3-35.4177.700000112.6K806 R814K806-A810 PolarHBondContact O-N 2.95Å; A810-R814 WeakPolarHBondContact O-CB 3.48Å; A810-R814 PolarHBondContact O-N 2.99Å
811E95.6Very high95.4Very high22 Ų2260.5 Ų60.510%0.10330%0.298CS..Hα-helixtrans-71.7-33.6175.3-170.363.2-108.100112.5L807 L808 Q809 R814 L815 F854 W882 Q886 I889L807-E811 WeakPolarHBondContact O-CB 3.11Å; L807-E811 PolarHBondContact O-N 2.98Å; L807-E811 VanDerWaalsContact O-N 3.11Å; L808-E811 PolarHBondContact O-N 3.23Å; Q809-E811 VanDerWaalsContact C-N 3.25Å; Q809-E811 PolarHBondContact O-N 2.92Å; E811-R814 IonicContact OE1-CZ 3.53Å; E811-R814 IonicContact OE1-NE 3.71Å; E811-R814 PolarHBondContact OE1-NE 3.23Å; E811-R814 IonicContact OE1-NH2 3.53Å; E811-R814 PolarHBondContact OE1-NH2 3.18Å; E811-R814 IonicContact OE2-NE 2.66Å; E811-L815 HydrophobicContact CG-CD1 4.37Å; E811-L815 PolarHBondContact O-N 3.15Å; E811-L815 VanDerWaalsContact O-N 3.1Å; E811-F854 HydrophobicContact CB-CE2 4.37Å; E811-F854 HydrophobicContact CG-CE2 4.11Å; E811-F854 HydrophobicContact CG-CZ 3.9Å; E811-W882 HydrophobicContact CB-CH2 4.02Å; E811-W882 HydrophobicContact CG-CH2 4.07Å; E811-Q886 PolarHBondContact OE2-NE2 3.45Å; E811-Q886 VanDerWaalsContact OE2-NE2 3.09Å; E811-I889 HydrophobicContact CG-CD1 3.48Å; E811-I889 VanDerWaalsContact CG-CD1 3.48Å; E811-I889 HydrophobicContact CG-CG1 4.23Å; E811-I889 HydrophobicContact CG-CG2 4.48Å; E811-I889 WeakPolarHBondContact OE1-CG2 3.29Å
812T96.4Very high95.5Very high30 Ų3060.5 Ų60.518%0.18430%0.298CS..Hα-helixtrans-64.6-52.8174.3-50.60000110.1L808 Q809 R814 L815 E816 M850 F854L808-T812 WeakPolarHBondContact O-CB 3.46Å; L808-T812 PolarHBondContact O-N 2.91Å; L808-T812 PolarHBondContact O-OG1 2.95Å; Q809-T812 WeakPolarHBondContact O-CB 3.48Å; Q809-T812 PolarHBondContact O-N 3.48Å; T812-R814 PolarHBondContact O-N 2.81Å; T812-L815 PolarHBondContact O-N 3.12Å; T812-E816 VanDerWaalsContact O-CB 3.3Å; T812-E816 WeakPolarHBondContact O-CB 3.35Å; T812-E816 PolarHBondContact O-N 2.91Å; T812-M850 HydrophobicContact CG2-CG 4.49Å; T812-M850 HydrophobicContact CG2-SD 3.91Å; T812-F854 HydrophobicContact CG2-CD2 4.43Å; T812-F854 VanDerWaalsContact OG1-CD2 3.29Å; T812-F854 WeakPolarHBondContact OG1-CD2 3.44Å
813E96.8Very high95.5Very high112 Ų11255.4 Ų55.452%0.52328%0.28SS..Hα-helixtrans-58.1-36.5179.2-69.7165.7-168.600111.9Q809 G817Q809-E813 WeakPolarHBondContact CG-OE1 3.41Å; Q809-E813 PolarHBondContact NE2-OE1 3.49Å; Q809-E813 WeakPolarHBondContact O-CG 3.49Å; Q809-E813 PolarHBondContact O-N 3.29Å; E813-G817 PolarHBondContact O-N 3.18Å
814R96.4Very high95.4Very high91 Ų9155.4 Ų55.434%0.34328%0.283SS..Hα-helixtrans-66.6-47.1176.8-164.6-176.677.482.42.1112.5A810 E811 T812 W818 I889A810-R814 WeakPolarHBondContact O-CB 3.48Å; A810-R814 PolarHBondContact O-N 2.99Å; E811-R814 IonicContact OE1-CZ 3.53Å; E811-R814 IonicContact OE1-NE 3.71Å; E811-R814 PolarHBondContact OE1-NE 3.23Å; E811-R814 IonicContact OE1-NH2 3.53Å; E811-R814 PolarHBondContact OE1-NH2 3.18Å; E811-R814 IonicContact OE2-NE 2.66Å; T812-R814 PolarHBondContact O-N 2.81Å; R814-W818 PolarHBondContact O-N 3.01Å; R814-W818 VanDerWaalsContact O-N 3.15Å; R814-I889 VanDerWaalsContact NH2-CG2 3.28Å
815L96Very high95.1Very high0 Ų055.5 Ų55.50%028%0.284CS..Hα-helixtrans-71.4-38177.9-86156.8000112.6E811 T812 W818 C819 A846 M850 F854 I889 I892 F896E811-L815 HydrophobicContact CG-CD1 4.37Å; E811-L815 PolarHBondContact O-N 3.15Å; E811-L815 VanDerWaalsContact O-N 3.1Å; T812-L815 PolarHBondContact O-N 3.12Å; L815-W818 HydrophobicContact CD2-CE3 4.08Å; L815-W818 HydrophobicContact CD2-CZ3 4.5Å; L815-W818 PolarHBondContact O-N 3.44Å; L815-C819 PolarHBondContact O-N 2.88Å; L815-C819 PolarHBondContact O-SG 3.39Å; L815-A846 HydrophobicContact CD2-CB 4.09Å; L815-M850 HydrophobicContact CB-CE 4.32Å; L815-M850 HydrophobicContact CB-SD 3.69Å; L815-F854 HydrophobicContact CD1-CE1 4.43Å; L815-F854 HydrophobicContact CD1-CE2 4.06Å; L815-F854 HydrophobicContact CD1-CZ 3.53Å; L815-I889 HydrophobicContact CD1-CG1 4.12Å; L815-I889 HydrophobicContact CD1-CG2 4.37Å; L815-I892 HydrophobicContact CD2-CG2 3.68Å; L815-F896 HydrophobicContact CD2-CE2 4.28Å
816E96.8Very high94.8Very high109 Ų10955.5 Ų55.551%0.50929%0.285SS..Hα-helixtrans-67.3-40.9175.1-174.4163.6-130.100111.5T812 W818 C819 C820 M850T812-E816 VanDerWaalsContact O-CB 3.3Å; T812-E816 WeakPolarHBondContact O-CB 3.35Å; T812-E816 PolarHBondContact O-N 2.91Å; E816-W818 VanDerWaalsContact C-N 3.33Å; E816-W818 PolarHBondContact O-N 2.94Å; E816-C819 WeakPolarHBondContact O-CB 3.15Å; E816-C819 PolarHBondContact O-N 3.2Å; E816-C820 WeakPolarHBondContact O-CB 3.5Å; E816-C820 PolarHBondContact O-N 3.16Å; E816-C820 PolarHBondContact O-SG 3.42Å; E816-C820 VanDerWaalsContact O-SG 3.4Å; E816-M850 HydrophobicContact CB-CE 4.34Å; E816-M850 HydrophobicContact CB-SD 4.29Å
817G96.3Very high94.4Very high40 Ų4055.6 Ų55.641%0.41229%0.285SS..Hα-helixtrans-58.1-42.7171.300000112.7E813 Q821E813-G817 PolarHBondContact O-N 3.18Å; G817-Q821 VanDerWaalsContact O-CB 3.26Å; G817-Q821 WeakPolarHBondContact O-CB 3.29Å; G817-Q821 PolarHBondContact O-N 2.82Å
818W95.7Very high94Very high48 Ų4858.8 Ų58.818%0.18230%0.299CS..Hα-helixtrans-63.3-43.6172.6-76.9-11.3000113.1R814 L815 E816 Q821 M822 F896R814-W818 PolarHBondContact O-N 3.01Å; R814-W818 VanDerWaalsContact O-N 3.15Å; L815-W818 HydrophobicContact CD2-CE3 4.08Å; L815-W818 HydrophobicContact CD2-CZ3 4.5Å; L815-W818 PolarHBondContact O-N 3.44Å; E816-W818 VanDerWaalsContact C-N 3.33Å; E816-W818 PolarHBondContact O-N 2.94Å; W818-Q821 PolarHBondContact O-N 3.42Å; W818-M822 PolarHBondContact O-N 3.21Å; W818-F896 HydrophobicContact CB-CD1 3.98Å; W818-F896 HydrophobicContact CB-CD2 4.23Å; W818-F896 HydrophobicContact CB-CE1 3.85Å; W818-F896 HydrophobicContact CB-CE2 4.1Å; W818-F896 HydrophobicContact CB-CG 4.18Å; W818-F896 HydrophobicContact CB-CZ 3.91Å; W818-F896 HydrophobicContact CD2-CB 4.33Å; W818-F896 HydrophobicContact CD2-CD2 4.16Å; W818-F896 HydrophobicContact CD2-CG 4.2Å; W818-F896 HydrophobicContact CE3-CB 4.14Å; W818-F896 AromaticContact CE3-CD2 3.46Å; W818-F896 HydrophobicContact CE3-CD2 3.46Å; W818-F896 VanDerWaalsContact CE3-CD2 3.46Å; W818-F896 HydrophobicContact CE3-CE2 4.03Å; W818-F896 AromaticContact CE3-CG 3.92Å; W818-F896 HydrophobicContact CE3-CG 3.92Å; W818-F896 HydrophobicContact CG-CG 4.4Å; W818-F896 HydrophobicContact CZ3-CB 4.32Å; W818-F896 AromaticContact CZ3-CD2 4Å; W818-F896 HydrophobicContact CZ3-CD2 4Å; W818-F896 HydrophobicContact CZ3-CG 4.48Å
819C95.9Very high93.3Very high4 Ų461.4 Ų61.43%0.02731%0.313CS..Hα-helixtrans-57.9-54.9174.1-70.60000111.5L815 E816 Q821 M822 D823 V843 A846L815-C819 PolarHBondContact O-N 2.88Å; L815-C819 PolarHBondContact O-SG 3.39Å; E816-C819 WeakPolarHBondContact O-CB 3.15Å; E816-C819 PolarHBondContact O-N 3.2Å; C819-Q821 VanDerWaalsContact C-N 3.26Å; C819-Q821 PolarHBondContact O-N 2.91Å; C819-M822 PolarHBondContact O-N 2.86Å; C819-D823 WeakPolarHBondContact O-CB 3.23Å; C819-D823 PolarHBondContact O-N 3.47Å; C819-V843 HydrophobicContact CB-CG1 4.06Å; C819-A846 VanDerWaalsContact SG-CB 3.54Å
820C95.3Very high92.7Very high75 Ų7565 Ų6551%0.50734%0.335SS..Hα-helixtrans-58.3-37.1179.3-72.50000112.4E816 K824E816-C820 WeakPolarHBondContact O-CB 3.5Å; E816-C820 PolarHBondContact O-N 3.16Å; E816-C820 PolarHBondContact O-SG 3.42Å; E816-C820 VanDerWaalsContact O-SG 3.4Å; C820-K824 WeakPolarHBondContact O-CB 3.26Å; C820-K824 PolarHBondContact O-N 3Å
821Q94.4Very high92.3Very high73 Ų7363.7 Ų63.734%0.34132%0.32SS..Hα-helixtrans-68.8-43.6178.3-17159.344.100112.3G817 W818 C819 E825G817-Q821 VanDerWaalsContact O-CB 3.26Å; G817-Q821 WeakPolarHBondContact O-CB 3.29Å; G817-Q821 PolarHBondContact O-N 2.82Å; W818-Q821 PolarHBondContact O-N 3.42Å; C819-Q821 VanDerWaalsContact C-N 3.26Å; C819-Q821 PolarHBondContact O-N 2.91Å; Q821-E825 WeakPolarHBondContact CG-OE1 3.26Å; Q821-E825 PolarHBondContact NE2-OE1 3.12Å; Q821-E825 WeakPolarHBondContact O-CB 3.46Å; Q821-E825 VanDerWaalsContact O-CG 3.29Å; Q821-E825 WeakPolarHBondContact O-CG 3.45Å; Q821-E825 PolarHBondContact O-N 3.06Å
822M93.5Very high91.8Very high0 Ų066 Ų660%034%0.339CS..Hα-helixtrans-71.6-36.8176.3-66.8-61.5100.500112.8W818 C819 E825 T826 V839 V843 F896 L899 Y900 W907W818-M822 PolarHBondContact O-N 3.21Å; C819-M822 PolarHBondContact O-N 2.86Å; M822-E825 WeakPolarHBondContact CE-OE2 3.46Å; M822-E825 PolarHBondContact O-N 3.41Å; M822-T826 WeakPolarHBondContact O-CB 3.4Å; M822-T826 PolarHBondContact O-N 2.9Å; M822-T826 PolarHBondContact O-OG1 3.08Å; M822-V839 HydrophobicContact CB-CG1 3.83Å; M822-V843 HydrophobicContact CB-CG2 3.86Å; M822-F896 HydrophobicContact CB-CE1 4.32Å; M822-F896 HydrophobicContact CG-CD1 3.62Å; M822-F896 HydrophobicContact CG-CE1 3.56Å; M822-L899 HydrophobicContact CG-CD1 4.24Å; M822-L899 HydrophobicContact SD-CB 3.76Å; M822-L899 HydrophobicContact SD-CD1 4.12Å; M822-Y900 HydrophobicContact CE-CD1 3.9Å; M822-Y900 HydrophobicContact CE-CE1 3.39Å; M822-W907 HydrophobicContact SD-CH2 4.38Å
823D92.7Very high91.4Very high38 Ų3872.7 Ų72.720%0.20337%0.368CS..Hα-helixtrans-65.2-39173.9-86.7-6.5000111.8C819 T826 K827C819-D823 WeakPolarHBondContact O-CB 3.23Å; C819-D823 PolarHBondContact O-N 3.47Å; D823-T826 PolarHBondContact O-N 2.94Å; D823-K827 VanDerWaalsContact O-CD 3.23Å; D823-K827 WeakPolarHBondContact O-CD 2.82Å; D823-K827 WeakPolarHBondContact O-CE 3.23Å; D823-K827 VanDerWaalsContact O-CG 3.24Å; D823-K827 WeakPolarHBondContact O-CG 3.24Å; D823-K827 PolarHBondContact O-N 3.12Å
824K92.4Very high91.1Very high102 Ų10272 Ų7244%0.44337%0.365SS..Hα-helixtrans-63.8-48.4172.9178176.1177.9177.70110.6C820 T826 K827 E828C820-K824 WeakPolarHBondContact O-CB 3.26Å; C820-K824 PolarHBondContact O-N 3Å; K824-T826 PolarHBondContact O-N 3.33Å; K824-K827 PolarHBondContact O-N 3.26Å; K824-E828 WeakPolarHBondContact CE-OE1 3.34Å; K824-E828 VanDerWaalsContact CE-OE2 3.24Å; K824-E828 WeakPolarHBondContact CE-OE2 3.4Å; K824-E828 HydrophobicContact CG-CG 4.3Å; K824-E828 IonicContact NZ-OE1 3.58Å; K824-E828 WeakPolarHBondContact O-CG 3.46Å; K824-E828 PolarHBondContact O-N 3.09Å
825E88.9Confident90.8Very high4 Ų467.7 Ų67.72%0.01935%0.349CS..Hα-helixtrans-61.4-33.3178.4-78.4166.8-153.800112.8Q821 M822 K827 E828 N829 K903 W907Q821-E825 WeakPolarHBondContact CG-OE1 3.26Å; Q821-E825 PolarHBondContact NE2-OE1 3.12Å; Q821-E825 WeakPolarHBondContact O-CB 3.46Å; Q821-E825 VanDerWaalsContact O-CG 3.29Å; Q821-E825 WeakPolarHBondContact O-CG 3.45Å; Q821-E825 PolarHBondContact O-N 3.06Å; M822-E825 WeakPolarHBondContact CE-OE2 3.46Å; M822-E825 PolarHBondContact O-N 3.41Å; E825-K827 VanDerWaalsContact C-N 3.35Å; E825-E828 PolarHBondContact O-N 2.69Å; E825-N829 VanDerWaalsContact O-CB 3.29Å; E825-N829 WeakPolarHBondContact O-CB 3.49Å; E825-N829 PolarHBondContact O-N 2.82Å; E825-N829 PolarHBondContact O-ND2 3.1Å; E825-K903 VanDerWaalsContact CD-CE 3.49Å; E825-K903 VanDerWaalsContact CD-NZ 3.31Å; E825-K903 VanDerWaalsContact OE1-CE 3.31Å; E825-K903 WeakPolarHBondContact OE1-CE 3.26Å; E825-K903 IonicContact OE1-NZ 2.62Å; E825-K903 PolarHBondContact OE1-NZ 2.87Å; E825-K903 WeakPolarHBondContact OE2-CD 3.47Å; E825-K903 WeakPolarHBondContact OE2-CE 3.42Å; E825-K903 IonicContact OE2-NZ 3.44Å; E825-W907 HydrophobicContact CB-CH2 4.19Å; E825-W907 HydrophobicContact CB-CZ2 3.73Å; E825-W907 HydrophobicContact CG-CZ2 4.12Å; E825-W907 VanDerWaalsContact OE2-CH2 3.23Å; E825-W907 WeakPolarHBondContact OE2-CH2 3.19Å; E825-W907 WeakPolarHBondContact OE2-CZ2 3.19Å
826T88.5Confident90.5Very high35 Ų3570.5 Ų70.522%0.21536%0.363CS..Hα-helixtrans-68.2-29.9172.6-630000113.4M822 D823 K824 L831 L836 V839M822-T826 WeakPolarHBondContact O-CB 3.4Å; M822-T826 PolarHBondContact O-N 2.9Å; M822-T826 PolarHBondContact O-OG1 3.08Å; D823-T826 PolarHBondContact O-N 2.94Å; K824-T826 PolarHBondContact O-N 3.33Å; T826-L831 HydrophobicContact CG2-CD1 4.35Å; T826-L831 WeakPolarHBondContact OG1-CD1 3.26Å; T826-L836 HydrophobicContact CG2-CD1 3.4Å; T826-V839 WeakPolarHBondContact OG1-CG1 3.35Å
827K87.7Confident90.4Very high166 Ų16667.1 Ų67.172%0.72236%0.357SS*.Hα-helixtrans-83.1-30.4176.3-67.2157.1-167.1164.60112.1D823 K824 E825D823-K827 VanDerWaalsContact O-CD 3.23Å; D823-K827 WeakPolarHBondContact O-CD 2.82Å; D823-K827 WeakPolarHBondContact O-CE 3.23Å; D823-K827 VanDerWaalsContact O-CG 3.24Å; D823-K827 WeakPolarHBondContact O-CG 3.24Å; D823-K827 PolarHBondContact O-N 3.12Å; K824-K827 PolarHBondContact O-N 3.26Å; E825-K827 VanDerWaalsContact C-N 3.35Å
828E86.3Confident90.3Very high124 Ų12468 Ų6858%0.57935%0.35SS*.Hα-helixtrans-90.6-22.2-177.9-68.7179.8158.800113.7K824 E825K824-E828 WeakPolarHBondContact CE-OE1 3.34Å; K824-E828 VanDerWaalsContact CE-OE2 3.24Å; K824-E828 WeakPolarHBondContact CE-OE2 3.4Å; K824-E828 HydrophobicContact CG-CG 4.3Å; K824-E828 IonicContact NZ-OE1 3.58Å; K824-E828 WeakPolarHBondContact O-CG 3.46Å; K824-E828 PolarHBondContact O-N 3.09Å; E825-E828 PolarHBondContact O-N 2.69Å
829N82.3Confident90.2Very high62 Ų6265.7 Ų65.733%0.33234%0.341SS..SBendtrans-118.6139.1-179.1-58.7-95.9000111.5E825 L831 W907E825-N829 VanDerWaalsContact O-CB 3.29Å; E825-N829 WeakPolarHBondContact O-CB 3.49Å; E825-N829 PolarHBondContact O-N 2.82Å; E825-N829 PolarHBondContact O-ND2 3.1Å; N829-L831 VanDerWaalsContact C-N 3.3Å; N829-L831 HydrophobicContact CB-CD2 3.8Å; N829-L831 HydrophobicContact CB-CG 4.39Å; N829-L831 PolarHBondContact O-N 2.93Å; N829-W907 VanDerWaalsContact CG-NE1 3.32Å; N829-W907 PolarHBondContact OD1-NE1 3.49Å
830N83.9Confident90.1Very high174 Ų17470.1 Ų70.193%0.9336%0.364SS*.  trans-77.881.6170.6-72.6-90.1000109.6
831L86.3Confident90.2Very high29 Ų2970.2 Ų70.215%0.15237%0.365CS..  trans-68.5150180-57.1-175.4000112T826 N829 V835 L836 V839 W907T826-L831 HydrophobicContact CG2-CD1 4.35Å; T826-L831 WeakPolarHBondContact OG1-CD1 3.26Å; N829-L831 VanDerWaalsContact C-N 3.3Å; N829-L831 HydrophobicContact CB-CD2 3.8Å; N829-L831 HydrophobicContact CB-CG 4.39Å; N829-L831 PolarHBondContact O-N 2.93Å; L831-V835 HydrophobicContact CB-CG1 4.48Å; L831-V835 HydrophobicContact CD1-CG1 4.36Å; L831-V835 HydrophobicContact CD2-CG1 4.35Å; L831-L836 HydrophobicContact CB-CB 4.38Å; L831-V839 HydrophobicContact CD1-CG2 4.11Å; L831-W907 HydrophobicContact CD2-CB 3.81Å; L831-W907 HydrophobicContact CD2-CD2 3.32Å; L831-W907 HydrophobicContact CD2-CE3 3.75Å; L831-W907 HydrophobicContact CD2-CG 3.36Å; L831-W907 HydrophobicContact CD2-CZ2 4.38Å; L831-W907 HydrophobicContact CD2-CZ3 4.4Å
832S85.8Confident90.3Very high70 Ų7066.8 Ų66.849%0.4935%0.35SS..  trans-68.6148.7167.7-175.70000110.6E834 V835 L836S832-E834 VanDerWaalsContact C-N 3.27Å; S832-E834 PolarHBondContact O-N 2.88Å; S832-V835 WeakPolarHBondContact O-CA 3.41Å; S832-V835 PolarHBondContact O-N 3.36Å; S832-L836 WeakPolarHBondContact O-CB 3.44Å; S832-L836 PolarHBondContact O-N 2.87Å
833E88.8Confident90.4Very high170 Ų17067 Ų6779%0.79435%0.351SS*.Hα-helixtrans-52.1-40-178.1-172.3-179.8177.500113.4G837E833-G837 PolarHBondContact O-N 2.76Å
834E88.8Confident90.6Very high99 Ų9966.7 Ų66.746%0.46336%0.357SS..Hα-helixtrans-67.5-40.6176-171.1-176.2142.500112.1S832 G837 K838 L909S832-E834 VanDerWaalsContact C-N 3.27Å; S832-E834 PolarHBondContact O-N 2.88Å; E834-G837 PolarHBondContact O-N 3.25Å; E834-K838 WeakPolarHBondContact O-CG 3.43Å; E834-K838 PolarHBondContact O-N 3.22Å; E834-K838 WeakPolarHBondContact OE1-CE 3.36Å; E834-K838 IonicContact OE1-NZ 2.72Å; E834-L909 WeakPolarHBondContact OE1-CD1 3.41Å; E834-L909 VanDerWaalsContact OE2-CD2 3.24Å; E834-L909 WeakPolarHBondContact OE2-CD2 3.37Å
835V90Very high90.8Very high0 Ų063 Ų630%034%0.344CS..Hα-helixtrans-69-42.6179.3179.60000110.1L831 S832 G837 K838 V839 W907 L909L831-V835 HydrophobicContact CB-CG1 4.48Å; L831-V835 HydrophobicContact CD1-CG1 4.36Å; L831-V835 HydrophobicContact CD2-CG1 4.35Å; S832-V835 WeakPolarHBondContact O-CA 3.41Å; S832-V835 PolarHBondContact O-N 3.36Å; V835-G837 VanDerWaalsContact C-N 3.34Å; V835-G837 PolarHBondContact O-N 3.43Å; V835-K838 PolarHBondContact O-N 2.96Å; V835-V839 WeakPolarHBondContact O-CG2 3.37Å; V835-V839 PolarHBondContact O-N 2.86Å; V835-W907 HydrophobicContact CG1-CE3 3.71Å; V835-W907 HydrophobicContact CG1-CZ3 4.21Å; V835-L909 HydrophobicContact CG2-CB 4.27Å
836L91.5Very high91.2Very high59 Ų5962.9 Ų62.931%0.30934%0.343SS..Hα-helixtrans-57.9-45.4171176.862000111.3T826 L831 S832 K838 V839 L840T826-L836 HydrophobicContact CG2-CD1 3.4Å; L831-L836 HydrophobicContact CB-CB 4.38Å; S832-L836 WeakPolarHBondContact O-CB 3.44Å; S832-L836 PolarHBondContact O-N 2.87Å; L836-K838 VanDerWaalsContact C-N 3.33Å; L836-K838 PolarHBondContact O-N 3.23Å; L836-V839 PolarHBondContact O-N 3.1Å; L836-L840 HydrophobicContact CD1-CD1 3.95Å; L836-L840 HydrophobicContact CD1-CG 4.09Å; L836-L840 HydrophobicContact CG-CD1 3.95Å; L836-L840 HydrophobicContact CG-CG 4.47Å; L836-L840 WeakPolarHBondContact O-CB 3.38Å; L836-L840 WeakPolarHBondContact O-CG 3.48Å; L836-L840 PolarHBondContact O-N 3.2Å
837G93.4Very high91.6Very high37 Ų3765.7 Ų65.738%0.38135%0.354SS..Hα-helixtrans-60.2-39.7175.200000113E833 E834 V835 S841E833-G837 PolarHBondContact O-N 2.76Å; E834-G837 PolarHBondContact O-N 3.25Å; V835-G837 VanDerWaalsContact C-N 3.34Å; V835-G837 PolarHBondContact O-N 3.43Å; G837-S841 WeakPolarHBondContact O-CB 3.39Å; G837-S841 PolarHBondContact O-N 3.37Å
838K93.6Very high92Very high59 Ų5962.1 Ų62.126%0.25734%0.342SS..Hα-helixtrans-65.9-43.2173-71.2179.6-178-170.80112.2E834 V835 L836 S841 A842 E898 L899 L902E834-K838 WeakPolarHBondContact O-CG 3.43Å; E834-K838 PolarHBondContact O-N 3.22Å; E834-K838 WeakPolarHBondContact OE1-CE 3.36Å; E834-K838 IonicContact OE1-NZ 2.72Å; V835-K838 PolarHBondContact O-N 2.96Å; L836-K838 VanDerWaalsContact C-N 3.33Å; L836-K838 PolarHBondContact O-N 3.23Å; K838-S841 PolarHBondContact O-N 2.94Å; K838-A842 WeakPolarHBondContact O-CB 3.37Å; K838-A842 PolarHBondContact O-N 3.38Å; K838-E898 WeakPolarHBondContact CE-OE1 3.4Å; K838-E898 IonicContact NZ-OE1 2.68Å; K838-E898 PolarHBondContact NZ-OE1 3.31Å; K838-L899 HydrophobicContact CB-CD2 3.84Å; K838-L902 HydrophobicContact CD-CD1 3.98Å
839V94.5Very high92.5Very high0 Ų057 Ų570%032%0.319CS..Hα-helixtrans-59.6-55.2175.6172.40000110.6M822 T826 L831 V835 L836 S841 A842 V843 L899M822-V839 HydrophobicContact CB-CG1 3.83Å; T826-V839 WeakPolarHBondContact OG1-CG1 3.35Å; L831-V839 HydrophobicContact CD1-CG2 4.11Å; V835-V839 WeakPolarHBondContact O-CG2 3.37Å; V835-V839 PolarHBondContact O-N 2.86Å; L836-V839 PolarHBondContact O-N 3.1Å; V839-S841 PolarHBondContact O-N 3.18Å; V839-A842 PolarHBondContact O-N 3.05Å; V839-A842 VanDerWaalsContact O-N 3.1Å; V839-V843 HydrophobicContact CG1-CG2 3.97Å; V839-V843 WeakPolarHBondContact O-CB 3.47Å; V839-V843 WeakPolarHBondContact O-CG2 3.33Å; V839-V843 PolarHBondContact O-N 3.15Å; V839-L899 HydrophobicContact CB-CD1 4.44Å; V839-L899 HydrophobicContact CB-CD2 4.48Å; V839-L899 HydrophobicContact CG2-CD1 4.08Å; V839-L899 HydrophobicContact CG2-CD2 3.62Å; V839-L899 HydrophobicContact CG2-CG 4.43Å
840L94.6Very high93.2Very high97 Ų9755 Ų5551%0.50831%0.308SS..Hα-helixtrans-60.3-33.6-179.9-66.7172.8000112.1L836 G844L836-L840 HydrophobicContact CD1-CD1 3.95Å; L836-L840 HydrophobicContact CD1-CG 4.09Å; L836-L840 HydrophobicContact CG-CD1 3.95Å; L836-L840 HydrophobicContact CG-CG 4.47Å; L836-L840 WeakPolarHBondContact O-CB 3.38Å; L836-L840 WeakPolarHBondContact O-CG 3.48Å; L836-L840 PolarHBondContact O-N 3.2Å; L840-G844 WeakPolarHBondContact O-CA 3.38Å; L840-G844 PolarHBondContact O-N 2.9Å
841S96.1Very high93.8Very high76 Ų7650.2 Ų50.253%0.53129%0.288SS..Hα-helixtrans-70.6-40.2174.7-170.30000113G837 K838 V839 S845G837-S841 WeakPolarHBondContact O-CB 3.39Å; G837-S841 PolarHBondContact O-N 3.37Å; K838-S841 PolarHBondContact O-N 2.94Å; V839-S841 PolarHBondContact O-N 3.18Å; S841-S845 VanDerWaalsContact O-CB 3.26Å; S841-S845 WeakPolarHBondContact O-CB 3.23Å; S841-S845 PolarHBondContact O-N 2.82Å; S841-S845 VanDerWaalsContact O-N 3.08Å; S841-S845 PolarHBondContact O-OG 2.89Å; S841-S845 VanDerWaalsContact O-OG 3.13Å
842A96.6Very high94.2Very high2 Ų253.8 Ų53.82%0.01730%0.304CS..Hα-helixtrans-67.7-56.917600000111.1K838 V839 G844 S845 A846 K895 L899K838-A842 WeakPolarHBondContact O-CB 3.37Å; K838-A842 PolarHBondContact O-N 3.38Å; V839-A842 PolarHBondContact O-N 3.05Å; V839-A842 VanDerWaalsContact O-N 3.1Å; A842-G844 PolarHBondContact O-N 3.37Å; A842-S845 PolarHBondContact O-N 3.18Å; A842-S845 VanDerWaalsContact O-N 3.09Å; A842-S845 PolarHBondContact O-OG 3.28Å; A842-A846 PolarHBondContact O-N 2.97Å; A842-K895 HydrophobicContact CB-CB 3.85Å; A842-K895 HydrophobicContact CB-CD 4.33Å; A842-L899 HydrophobicContact CB-CD1 3.52Å
843V96.7Very high94.7Very high3 Ų354.5 Ų54.52%0.01830%0.298CS..Hα-helixtrans-57.2-49.1179.1174.60000110.8C819 M822 V839 S845 A846 Q847 F896C819-V843 HydrophobicContact CB-CG1 4.06Å; M822-V843 HydrophobicContact CB-CG2 3.86Å; V839-V843 HydrophobicContact CG1-CG2 3.97Å; V839-V843 WeakPolarHBondContact O-CB 3.47Å; V839-V843 WeakPolarHBondContact O-CG2 3.33Å; V839-V843 PolarHBondContact O-N 3.15Å; V843-S845 VanDerWaalsContact C-N 3.29Å; V843-S845 PolarHBondContact O-N 3.25Å; V843-A846 PolarHBondContact O-N 3.4Å; V843-A846 VanDerWaalsContact O-N 3.13Å; V843-Q847 HydrophobicContact CG1-CG 4.3Å; V843-Q847 WeakPolarHBondContact O-CB 3.43Å; V843-Q847 WeakPolarHBondContact O-CG 3.16Å; V843-Q847 PolarHBondContact O-N 2.87Å; V843-F896 HydrophobicContact CG2-CE1 4.2Å; V843-F896 HydrophobicContact CG2-CZ 4.4Å
844G96.5Very high95Very high32 Ų3246.7 Ų46.733%0.3326%0.261SS..Hα-helixtrans-60.4-37176.700000112.9L840 A842 L848L840-G844 WeakPolarHBondContact O-CA 3.38Å; L840-G844 PolarHBondContact O-N 2.9Å; A842-G844 PolarHBondContact O-N 3.37Å; G844-L848 VanDerWaalsContact O-CB 3.24Å; G844-L848 WeakPolarHBondContact O-CB 3.48Å; G844-L848 PolarHBondContact O-N 3.17Å
845S96.5Very high95.4Very high26 Ų2647.4 Ų47.418%0.18227%0.265CS..Hα-helixtrans-71.2-33.2175.272.20000113.6S841 A842 V843 L849 I892 K895S841-S845 VanDerWaalsContact O-CB 3.26Å; S841-S845 WeakPolarHBondContact O-CB 3.23Å; S841-S845 PolarHBondContact O-N 2.82Å; S841-S845 VanDerWaalsContact O-N 3.08Å; S841-S845 PolarHBondContact O-OG 2.89Å; S841-S845 VanDerWaalsContact O-OG 3.13Å; A842-S845 PolarHBondContact O-N 3.18Å; A842-S845 VanDerWaalsContact O-N 3.09Å; A842-S845 PolarHBondContact O-OG 3.28Å; V843-S845 VanDerWaalsContact C-N 3.29Å; V843-S845 PolarHBondContact O-N 3.25Å; S845-L849 WeakPolarHBondContact O-CB 3.46Å; S845-L849 PolarHBondContact O-N 3.43Å; S845-I892 WeakPolarHBondContact O-CD1 3.44Å; S845-K895 PolarHBondContact OG-NZ 2.97Å
846A97.2Very high95.6Very high0 Ų052.1 Ų52.10%029%0.287CS..Hα-helixtrans-70.8-46.8175.100000111.6L815 C819 A842 V843 L848 L849 M850 I892 F896L815-A846 HydrophobicContact CD2-CB 4.09Å; C819-A846 VanDerWaalsContact SG-CB 3.54Å; A842-A846 PolarHBondContact O-N 2.97Å; V843-A846 PolarHBondContact O-N 3.4Å; V843-A846 VanDerWaalsContact O-N 3.13Å; A846-L848 VanDerWaalsContact C-N 3.29Å; A846-L848 PolarHBondContact O-N 3.31Å; A846-L849 PolarHBondContact O-N 3.12Å; A846-L849 VanDerWaalsContact O-N 3.13Å; A846-M850 WeakPolarHBondContact O-CG 3.32Å; A846-M850 PolarHBondContact O-N 2.86Å; A846-I892 HydrophobicContact CB-CG2 3.92Å; A846-F896 HydrophobicContact CB-CE2 3.93Å; A846-F896 HydrophobicContact CB-CZ 4.12Å
847Q96.6Very high95.8Very high94 Ų9449.3 Ų49.344%0.43927%0.272SS..Hα-helixtrans-59.6-38.5172.9-70.7172.9-7.100111.7V843 S851V843-Q847 HydrophobicContact CG1-CG 4.3Å; V843-Q847 WeakPolarHBondContact O-CB 3.43Å; V843-Q847 WeakPolarHBondContact O-CG 3.16Å; V843-Q847 PolarHBondContact O-N 2.87Å; Q847-S851 VanDerWaalsContact O-CB 3.28Å; Q847-S851 WeakPolarHBondContact O-CB 3.24Å; Q847-S851 PolarHBondContact O-N 3.18Å; Q847-S851 PolarHBondContact O-OG 2.91Å
848L97Very high95.9Very high91 Ų9152.4 Ų52.448%0.47627%0.272SS..Hα-helixtrans-66.7-39.2174.1-164.670.3000112.1G844 A846 S851 Q852G844-L848 VanDerWaalsContact O-CB 3.24Å; G844-L848 WeakPolarHBondContact O-CB 3.48Å; G844-L848 PolarHBondContact O-N 3.17Å; A846-L848 VanDerWaalsContact C-N 3.29Å; A846-L848 PolarHBondContact O-N 3.31Å; L848-S851 WeakPolarHBondContact CA-OG 3.42Å; L848-S851 PolarHBondContact O-OG 3.35Å; L848-Q852 HydrophobicContact CD1-CG 4.21Å; L848-Q852 HydrophobicContact CG-CG 4.49Å; L848-Q852 VanDerWaalsContact O-CB 3.31Å; L848-Q852 WeakPolarHBondContact O-CB 3.47Å; L848-Q852 WeakPolarHBondContact O-CG 3.45Å; L848-Q852 PolarHBondContact O-N 3.39Å
849L96.8Very high96Very high16 Ų1650.7 Ų50.78%0.08427%0.271CS..Iπ-helixtrans-65.7-43.7176.6-16772000111.6S845 A846 K853 F854 L885 S888 I889 I892S845-L849 WeakPolarHBondContact O-CB 3.46Å; S845-L849 PolarHBondContact O-N 3.43Å; A846-L849 PolarHBondContact O-N 3.12Å; A846-L849 VanDerWaalsContact O-N 3.13Å; L849-K853 HydrophobicContact CD1-CB 3.65Å; L849-K853 HydrophobicContact CD1-CG 3.7Å; L849-K853 HydrophobicContact CG-CB 4.24Å; L849-K853 WeakPolarHBondContact O-CA 3.4Å; L849-K853 WeakPolarHBondContact O-CB 3.42Å; L849-K853 PolarHBondContact O-N 3.5Å; L849-F854 HydrophobicContact CD2-CD1 4.42Å; L849-F854 HydrophobicContact CD2-CE1 3.64Å; L849-F854 HydrophobicContact CD2-CZ 4.38Å; L849-F854 HydrophobicContact CG-CD1 4.04Å; L849-F854 HydrophobicContact CG-CE1 3.75Å; L849-F854 WeakPolarHBondContact O-CD1 3.37Å; L849-F854 PolarHBondContact O-N 3.43Å; L849-L885 HydrophobicContact CD1-CD1 4.37Å; L849-S888 VanDerWaalsContact CD1-OG 3.3Å; L849-S888 WeakPolarHBondContact CD1-OG 3.38Å; L849-I889 HydrophobicContact CD2-CG1 3.92Å; L849-I892 HydrophobicContact CB-CD1 3.95Å; L849-I892 HydrophobicContact CD2-CD1 3.84Å; L849-I892 HydrophobicContact CG-CD1 4.43Å
850M96.6Very high96Very high22 Ų2253 Ų5311%0.10828%0.283CS..Iπ-helixtrans-68.6-45.6178.1-66.3-175.6-67.100112T812 L815 E816 A846 Q852 F854T812-M850 HydrophobicContact CG2-CG 4.49Å; T812-M850 HydrophobicContact CG2-SD 3.91Å; L815-M850 HydrophobicContact CB-CE 4.32Å; L815-M850 HydrophobicContact CB-SD 3.69Å; E816-M850 HydrophobicContact CB-CE 4.34Å; E816-M850 HydrophobicContact CB-SD 4.29Å; A846-M850 WeakPolarHBondContact O-CG 3.32Å; A846-M850 PolarHBondContact O-N 2.86Å; M850-Q852 PolarHBondContact O-N 3.17Å; M850-F854 HydrophobicContact CB-CD2 4.46Å; M850-F854 HydrophobicContact CB-CG 4.49Å; M850-F854 HydrophobicContact CG-CD2 3.94Å; M850-F854 HydrophobicContact CG-CE2 4.05Å; M850-F854 HydrophobicContact CG-CG 4.3Å; M850-F854 WeakPolarHBondContact O-CB 3.47Å
851S95.9Very high95.9Very high72 Ų7248.4 Ų48.450%0.50326%0.259SS..Iπ-helixtrans-69-29.3179.457.20000114.1Q847 L848 Q855Q847-S851 VanDerWaalsContact O-CB 3.28Å; Q847-S851 WeakPolarHBondContact O-CB 3.24Å; Q847-S851 PolarHBondContact O-N 3.18Å; Q847-S851 PolarHBondContact O-OG 2.91Å; L848-S851 WeakPolarHBondContact CA-OG 3.42Å; L848-S851 PolarHBondContact O-OG 3.35Å; S851-Q855 WeakPolarHBondContact O-CG 3.48Å
852Q95.4Very high95.8Very high105 Ų10548.1 Ų48.149%0.49125%0.249SC..Iπ-helixtrans-104.6-62-179.3-59.5-169.9-3.700113.5L848 M850 Q856L848-Q852 HydrophobicContact CD1-CG 4.21Å; L848-Q852 HydrophobicContact CG-CG 4.49Å; L848-Q852 VanDerWaalsContact O-CB 3.31Å; L848-Q852 WeakPolarHBondContact O-CB 3.47Å; L848-Q852 WeakPolarHBondContact O-CG 3.45Å; L848-Q852 PolarHBondContact O-N 3.39Å; M850-Q852 PolarHBondContact O-N 3.17Å; Q852-Q856 WeakPolarHBondContact O-CB 3.3Å; Q852-Q856 VanDerWaalsContact O-CG 3.27Å; Q852-Q856 WeakPolarHBondContact O-CG 3.22Å; Q852-Q856 PolarHBondContact O-N 3.04Å
853K95.2Very high95.6Very high85 Ų8552.2 Ų52.237%0.3727%0.268SS..Iπ-helixtrans-78.9-35.1-169.4-70.7-68173.6-164.90113.1L849 Q856 F857 F881 L885L849-K853 HydrophobicContact CD1-CB 3.65Å; L849-K853 HydrophobicContact CD1-CG 3.7Å; L849-K853 HydrophobicContact CG-CB 4.24Å; L849-K853 WeakPolarHBondContact O-CA 3.4Å; L849-K853 WeakPolarHBondContact O-CB 3.42Å; L849-K853 PolarHBondContact O-N 3.5Å; K853-Q856 PolarHBondContact O-N 3.3Å; K853-F857 WeakPolarHBondContact O-CB 3.49Å; K853-F857 PolarHBondContact O-N 3.35Å; K853-F881 HydrophobicContact CD-CZ 4.29Å; K853-L885 HydrophobicContact CB-CD1 3.59Å
854F96.4Very high95.3Very high5 Ų552.8 Ų52.82%0.02227%0.271CS..Iπ-helixtrans-71.4-40.8176.6-70.929.7000109.8L808 E811 T812 L815 L849 M850 Q856 F857 R858 L885 I889L808-F854 HydrophobicContact CD1-CB 3.8Å; L808-F854 HydrophobicContact CD1-CD1 4.16Å; L808-F854 HydrophobicContact CD1-CD2 3.43Å; L808-F854 VanDerWaalsContact CD1-CD2 3.43Å; L808-F854 HydrophobicContact CD1-CE2 3.92Å; L808-F854 HydrophobicContact CD1-CG 3.54Å; L808-F854 HydrophobicContact CD1-CZ 4.44Å; L808-F854 HydrophobicContact CD2-CB 4.49Å; L808-F854 HydrophobicContact CG-CB 4.47Å; L808-F854 HydrophobicContact CG-CD2 4.23Å; E811-F854 HydrophobicContact CB-CE2 4.37Å; E811-F854 HydrophobicContact CG-CE2 4.11Å; E811-F854 HydrophobicContact CG-CZ 3.9Å; T812-F854 HydrophobicContact CG2-CD2 4.43Å; T812-F854 VanDerWaalsContact OG1-CD2 3.29Å; T812-F854 WeakPolarHBondContact OG1-CD2 3.44Å; L815-F854 HydrophobicContact CD1-CE1 4.43Å; L815-F854 HydrophobicContact CD1-CE2 4.06Å; L815-F854 HydrophobicContact CD1-CZ 3.53Å; L849-F854 HydrophobicContact CD2-CD1 4.42Å; L849-F854 HydrophobicContact CD2-CE1 3.64Å; L849-F854 HydrophobicContact CD2-CZ 4.38Å; L849-F854 HydrophobicContact CG-CD1 4.04Å; L849-F854 HydrophobicContact CG-CE1 3.75Å; L849-F854 WeakPolarHBondContact O-CD1 3.37Å; L849-F854 PolarHBondContact O-N 3.43Å; M850-F854 HydrophobicContact CB-CD2 4.46Å; M850-F854 HydrophobicContact CB-CG 4.49Å; M850-F854 HydrophobicContact CG-CD2 3.94Å; M850-F854 HydrophobicContact CG-CE2 4.05Å; M850-F854 HydrophobicContact CG-CG 4.3Å; M850-F854 WeakPolarHBondContact O-CB 3.47Å; F854-Q856 PolarHBondContact O-N 3.26Å; F854-F857 PolarHBondContact O-N 2.95Å; F854-R858 VanDerWaalsContact O-CB 3.28Å; F854-R858 WeakPolarHBondContact O-CB 3.43Å; F854-R858 PolarHBondContact O-N 3.22Å; F854-L885 HydrophobicContact CD1-CD1 3.79Å; F854-L885 HydrophobicContact CD1-CD2 3.93Å; F854-L885 HydrophobicContact CD1-CG 4.15Å; F854-L885 HydrophobicContact CE1-CD1 3.79Å; F854-L885 HydrophobicContact CE1-CD2 3.91Å; F854-L885 HydrophobicContact CE1-CG 3.84Å; F854-I889 HydrophobicContact CE1-CD1 4.15Å; F854-I889 HydrophobicContact CE1-CG1 4.1Å; F854-I889 HydrophobicContact CZ-CD1 3.9Å; F854-I889 HydrophobicContact CZ-CG1 3.96Å
855Q95.8Very high95Very high114 Ų11452.9 Ų52.953%0.53326%0.264SS..Hα-helixtrans-62.5-41172.6-64-60-1900112.9S851 F857 R858 G859S851-Q855 WeakPolarHBondContact O-CG 3.48Å; Q855-F857 VanDerWaalsContact C-N 3.35Å; Q855-F857 PolarHBondContact O-N 2.68Å; Q855-R858 PolarHBondContact O-N 3.35Å; Q855-G859 PolarHBondContact O-N 3.42Å
856Q95.2Very high94.6Very high99 Ų9955.9 Ų55.946%0.46328%0.278SS..Hα-helixtrans-58.4-45171.3-79.2177.2-6.600111.8Q852 K853 F854 L860 F881Q852-Q856 WeakPolarHBondContact O-CB 3.3Å; Q852-Q856 VanDerWaalsContact O-CG 3.27Å; Q852-Q856 WeakPolarHBondContact O-CG 3.22Å; Q852-Q856 PolarHBondContact O-N 3.04Å; K853-Q856 PolarHBondContact O-N 3.3Å; F854-Q856 PolarHBondContact O-N 3.26Å; Q856-L860 WeakPolarHBondContact O-CG 3.48Å; Q856-L860 PolarHBondContact O-N 3.13Å; Q856-L860 VanDerWaalsContact O-N 3.11Å; Q856-F881 HydrophobicContact CB-CZ 4.1Å
857F96.4Very high94Very high0 Ų060.3 Ų60.30%031%0.306CS..Hα-helixtrans-69.6-38.4179.1-169.5-121.3000113.1F804 L808 K853 F854 Q855 L860 C861 L878 F881 W882 L885F804-F857 HydrophobicContact CB-CE1 3.86Å; F804-F857 HydrophobicContact CB-CZ 3.78Å; F804-F857 HydrophobicContact CD1-CE1 4.09Å; F804-F857 AromaticContact CD1-CZ 3.58Å; F804-F857 HydrophobicContact CD1-CZ 3.58Å; F804-F857 HydrophobicContact CE1-CZ 4.32Å; F804-F857 HydrophobicContact CG-CE1 4.32Å; F804-F857 AromaticContact CG-CZ 3.82Å; F804-F857 HydrophobicContact CG-CZ 3.82Å; L808-F857 HydrophobicContact CB-CD1 4.31Å; L808-F857 HydrophobicContact CD1-CD1 3.96Å; L808-F857 HydrophobicContact CD2-CD1 4.01Å; L808-F857 HydrophobicContact CG-CD1 4.32Å; K853-F857 WeakPolarHBondContact O-CB 3.49Å; K853-F857 PolarHBondContact O-N 3.35Å; F854-F857 PolarHBondContact O-N 2.95Å; Q855-F857 VanDerWaalsContact C-N 3.35Å; Q855-F857 PolarHBondContact O-N 2.68Å; F857-L860 PolarHBondContact O-N 3.35Å; F857-C861 PolarHBondContact O-N 3.07Å; F857-C861 PolarHBondContact O-SG 2.8Å; F857-L878 HydrophobicContact CE2-CB 4.17Å; F857-L878 HydrophobicContact CE2-CD2 3.99Å; F857-L878 WeakPolarHBondContact CE2-O 3.47Å; F857-L878 HydrophobicContact CZ-CB 4.37Å; F857-F881 HydrophobicContact CB-CD1 3.94Å; F857-F881 HydrophobicContact CB-CE1 3.75Å; F857-F881 HydrophobicContact CD2-CB 3.96Å; F857-F881 AromaticContact CD2-CD1 3.32Å; F857-F881 HydrophobicContact CD2-CD1 3.32Å; F857-F881 HydrophobicContact CD2-CE1 4.04Å; F857-F881 AromaticContact CD2-CG 3.84Å; F857-F881 HydrophobicContact CD2-CG 3.84Å; F857-F881 HydrophobicContact CE2-CB 4Å; F857-F881 HydrophobicContact CE2-CD1 4.12Å; F857-F881 HydrophobicContact CE2-CG 4.39Å; F857-F881 AromaticContact CG-CD1 3.91Å; F857-F881 HydrophobicContact CG-CD1 3.91Å; F857-F881 HydrophobicContact CG-CE1 4.25Å; F857-W882 HydrophobicContact CD1-CE3 4.06Å; F857-W882 HydrophobicContact CD1-CZ3 4.5Å; F857-W882 HydrophobicContact CE1-CD2 4.43Å; F857-W882 AromaticContact CE1-CE3 3.52Å; F857-W882 HydrophobicContact CE1-CE3 3.52Å; F857-W882 HydrophobicContact CE1-CZ3 4.2Å; F857-W882 HydrophobicContact CE2-CB 4.32Å; F857-W882 HydrophobicContact CZ-CB 3.88Å; F857-W882 HydrophobicContact CZ-CE3 4.08Å; F857-L885 HydrophobicContact CB-CD2 4.19Å; F857-L885 HydrophobicContact CD1-CD2 4.09Å; F857-L885 HydrophobicContact CG-CD2 4.22Å
858R95.2Very high93.5Very high103 Ų10363 Ų6339%0.38932%0.324SS..Hα-helixtrans-57-50.2175.5-166179.5-173.4-66.6-13110.6L805 L808 F854 Q855 L860 C861 E862L805-R858 HydrophobicContact CD2-CB 4.4Å; L805-R858 HydrophobicContact CD2-CG 3.66Å; L808-R858 HydrophobicContact CD2-CB 3.89Å; L808-R858 HydrophobicContact CD2-CG 4.41Å; F854-R858 VanDerWaalsContact O-CB 3.28Å; F854-R858 WeakPolarHBondContact O-CB 3.43Å; F854-R858 PolarHBondContact O-N 3.22Å; Q855-R858 PolarHBondContact O-N 3.35Å; R858-L860 PolarHBondContact O-N 2.83Å; R858-C861 WeakPolarHBondContact O-CB 3.31Å; R858-C861 PolarHBondContact O-N 2.84Å; R858-C861 VanDerWaalsContact O-N 3.16Å; R858-E862 IonicContact CZ-OE1 3.18Å; R858-E862 IonicContact NH1-OE1 2.78Å; R858-E862 PolarHBondContact NH1-OE1 3.48Å; R858-E862 IonicContact NH1-OE2 3.13Å; R858-E862 PolarHBondContact NH1-OE2 3.46Å; R858-E862 IonicContact NH2-OE1 3.29Å; R858-E862 WeakPolarHBondContact O-CG 3.26Å; R858-E862 PolarHBondContact O-N 3.14Å
859G94.4Very high92.9Very high22 Ų2260 Ų6023%0.22731%0.312CS..Hα-helixtrans-62.9-37.1175.500000113.7Q855 E862 Q863Q855-G859 PolarHBondContact O-N 3.42Å; G859-E862 PolarHBondContact O-N 2.89Å; G859-Q863 WeakPolarHBondContact O-CB 3.47Å; G859-Q863 WeakPolarHBondContact O-CG 3.26Å; G859-Q863 PolarHBondContact O-N 3.2Å
860L94.2Very high91.9Very high49 Ų4966.3 Ų66.326%0.25735%0.346SS..Hα-helixtrans-65.7-38172.9-72.9170.3000112.3Q856 F857 R858 Q863 N864 P873 L878 F881Q856-L860 WeakPolarHBondContact O-CG 3.48Å; Q856-L860 PolarHBondContact O-N 3.13Å; Q856-L860 VanDerWaalsContact O-N 3.11Å; F857-L860 PolarHBondContact O-N 3.35Å; R858-L860 PolarHBondContact O-N 2.83Å; L860-Q863 PolarHBondContact O-N 3.41Å; L860-N864 PolarHBondContact O-N 2.92Å; L860-P873 HydrophobicContact CD2-CG 3.88Å; L860-L878 HydrophobicContact CB-CD2 3.85Å; L860-F881 HydrophobicContact CD1-CD2 3.58Å; L860-F881 HydrophobicContact CD1-CE2 3.77Å; L860-F881 HydrophobicContact CD1-CG 4.07Å; L860-F881 HydrophobicContact CD1-CZ 4.4Å
861C93.9Very high91.2Very high0 Ų070.4 Ų70.40%037%0.374CS..Hα-helixtrans-67.2-42.6175.6-64.50000111.5F804 L805 F857 R858 Q863 N864 L865F804-C861 VanDerWaalsContact CB-SG 3.58Å; L805-C861 HydrophobicContact CD1-CB 4.16Å; L805-C861 HydrophobicContact CD2-CB 3.93Å; L805-C861 HydrophobicContact CG-CB 3.65Å; F857-C861 PolarHBondContact O-N 3.07Å; F857-C861 PolarHBondContact O-SG 2.8Å; R858-C861 WeakPolarHBondContact O-CB 3.31Å; R858-C861 PolarHBondContact O-N 2.84Å; R858-C861 VanDerWaalsContact O-N 3.16Å; C861-Q863 VanDerWaalsContact C-N 3.34Å; C861-Q863 PolarHBondContact O-N 2.88Å; C861-N864 WeakPolarHBondContact O-CB 3.39Å; C861-N864 PolarHBondContact O-N 3.11Å; C861-N864 VanDerWaalsContact O-N 3.14Å; C861-L865 WeakPolarHBondContact O-CG 3.2Å; C861-L865 PolarHBondContact O-N 3.47Å
862E93.1Very high90.8Very high70 Ų7072.9 Ų72.933%0.32737%0.373SS..Hα-helixtrans-63.4-40.1174.6-69.9171.5142.500111.2L805 R858 G859 N864 L865 N866L805-E862 HydrophobicContact CD1-CG 4.35Å; R858-E862 IonicContact CZ-OE1 3.18Å; R858-E862 IonicContact NH1-OE1 2.78Å; R858-E862 PolarHBondContact NH1-OE1 3.48Å; R858-E862 IonicContact NH1-OE2 3.13Å; R858-E862 PolarHBondContact NH1-OE2 3.46Å; R858-E862 IonicContact NH2-OE1 3.29Å; R858-E862 WeakPolarHBondContact O-CG 3.26Å; R858-E862 PolarHBondContact O-N 3.14Å; G859-E862 PolarHBondContact O-N 2.89Å; E862-N864 VanDerWaalsContact C-N 3.33Å; E862-N864 PolarHBondContact O-N 2.87Å; E862-L865 PolarHBondContact O-N 3.02Å; E862-L865 VanDerWaalsContact O-N 3.15Å; E862-N866 VanDerWaalsContact O-CG 3.23Å; E862-N866 PolarHBondContact O-N 3.3Å; E862-N866 PolarHBondContact O-ND2 3.09Å
863Q92.3Very high90.5Very high89 Ų8968.6 Ų68.642%0.41635%0.354SS..Hα-helixtrans-65.4-30.5171.6-71.8166.418.400113.4G859 L860 C861 L865 A869 P873G859-Q863 WeakPolarHBondContact O-CB 3.47Å; G859-Q863 WeakPolarHBondContact O-CG 3.26Å; G859-Q863 PolarHBondContact O-N 3.2Å; L860-Q863 PolarHBondContact O-N 3.41Å; C861-Q863 VanDerWaalsContact C-N 3.34Å; C861-Q863 PolarHBondContact O-N 2.88Å; Q863-L865 VanDerWaalsContact C-N 3.34Å; Q863-A869 HydrophobicContact CB-CB 4.45Å; Q863-A869 VanDerWaalsContact O-CB 3.31Å; Q863-A869 WeakPolarHBondContact O-CB 3.48Å; Q863-P873 HydrophobicContact CB-CG 3.88Å
864N91.8Very high90.3Very high14 Ų1468.3 Ų68.38%0.07536%0.359CS..Hα-helixtrans-69.4-32.4171.5171.5-103.6000112G801 L860 C861 E862 R872 P873 L878G801-N864 PolarHBondContact N-OD1 3.4Å; L860-N864 PolarHBondContact O-N 2.92Å; C861-N864 WeakPolarHBondContact O-CB 3.39Å; C861-N864 PolarHBondContact O-N 3.11Å; C861-N864 VanDerWaalsContact O-N 3.14Å; E862-N864 VanDerWaalsContact C-N 3.33Å; E862-N864 PolarHBondContact O-N 2.87Å; N864-R872 PolarHBondContact O-NE 2.95Å; N864-R872 PolarHBondContact O-NH2 2.76Å; N864-P873 HydrophobicContact CB-CB 4.48Å; N864-P873 PolarHBondContact ND2-O 2.68Å; N864-L878 HydrophobicContact CB-CD1 3.65Å; N864-L878 HydrophobicContact CB-CD2 4.49Å; N864-L878 HydrophobicContact CB-CG 4.24Å
865L90.1Very high90Very high35 Ų3570 Ų7018%0.18337%0.374CS..Hα-helixtrans-76.2-42.8178.4-66.1174.9000111.8Y802 L805 C861 E862 Q863 R872Y802-L865 HydrophobicContact CD1-CD1 3.62Å; Y802-L865 HydrophobicContact CD1-CD2 4.44Å; Y802-L865 HydrophobicContact CD2-CD1 4.13Å; Y802-L865 HydrophobicContact CD2-CD2 3.41Å; Y802-L865 VanDerWaalsContact CD2-CD2 3.41Å; Y802-L865 HydrophobicContact CD2-CG 4.41Å; Y802-L865 HydrophobicContact CE1-CD1 3.51Å; Y802-L865 HydrophobicContact CE1-CD2 4.49Å; Y802-L865 HydrophobicContact CE2-CD1 4.04Å; Y802-L865 HydrophobicContact CE2-CD2 3.48Å; Y802-L865 VanDerWaalsContact CE2-CD2 3.48Å; Y802-L865 HydrophobicContact CE2-CG 4.31Å; Y802-L865 HydrophobicContact CG-CD1 3.92Å; Y802-L865 HydrophobicContact CG-CD2 3.92Å; L805-L865 HydrophobicContact CD1-CD1 3.9Å; C861-L865 WeakPolarHBondContact O-CG 3.2Å; C861-L865 PolarHBondContact O-N 3.47Å; E862-L865 PolarHBondContact O-N 3.02Å; E862-L865 VanDerWaalsContact O-N 3.15Å; Q863-L865 VanDerWaalsContact C-N 3.34Å; L865-R872 PolarHBondContact O-NH2 3.13Å
866N88.2Confident89.9Confident89 Ų8972.1 Ų72.148%0.47638%0.384SS..  trans-59.9122.1177.7-67.8-18.4000111.2E862 D868 A869 R872E862-N866 VanDerWaalsContact O-CG 3.23Å; E862-N866 PolarHBondContact O-N 3.3Å; E862-N866 PolarHBondContact O-ND2 3.09Å; N866-D868 VanDerWaalsContact C-N 3.34Å; N866-A869 HydrophobicContact CB-CB 4.28Å; N866-R872 PolarHBondContact O-NE 3.13Å
867P84.2Confident89.8Confident92 Ų9271.7 Ų71.760%0.59739%0.385SS*.THydrogen-bonded Turntrans-71.4-30.9-178.727.1-31000112.5A869P867-A869 VanDerWaalsContact C-N 3.33Å; P867-A869 PolarHBondContact O-N 3.4Å
868D86.3Confident89.7Confident152 Ų15271.8 Ų71.881%0.81339%0.385SS*.THydrogen-bonded Turntrans-85.81.3-175.2-45.5-74.7000114.2N866N866-D868 VanDerWaalsContact C-N 3.34Å
869A84.8Confident89.7Confident26 Ų2667.9 Ų67.922%0.21538%0.375CS..  trans-66.4133.3178.400000111.3Q863 N866 P867 R872Q863-A869 HydrophobicContact CB-CB 4.45Å; Q863-A869 VanDerWaalsContact O-CB 3.31Å; Q863-A869 WeakPolarHBondContact O-CB 3.48Å; N866-A869 HydrophobicContact CB-CB 4.28Å; P867-A869 VanDerWaalsContact C-N 3.33Å; P867-A869 PolarHBondContact O-N 3.4Å; A869-R872 HydrophobicContact CB-CB 4.28Å; A869-R872 HydrophobicContact CB-CG 4.39Å; A869-R872 WeakPolarHBondContact O-CB 3.48Å; A869-R872 PolarHBondContact O-N 2.83Å
870N74.9Confident89.7Confident150 Ų15068.6 Ų68.680%0.80238%0.382SS*.THydrogen-bonded Turntrans-141115.2178.4-170.59.3000111.8
871P81.3Confident89.8Confident108 Ų10868.7 Ų68.770%0.70138%0.381SS*.THydrogen-bonded Turncis-69.8135.8-6.530.2-34.7000111.6P873P871-P873 WeakPolarHBondContact O-CD 3.33Å
872R87.2Confident89.9Confident124 Ų12469.7 Ų69.747%0.46839%0.385SS..PPolyproline II helixtrans-75.3122.8172.4-172.2171.9177.9-178.95.4109.7N864 L865 N866 A869 T874N864-R872 PolarHBondContact O-NE 2.95Å; N864-R872 PolarHBondContact O-NH2 2.76Å; L865-R872 PolarHBondContact O-NH2 3.13Å; N866-R872 PolarHBondContact O-NE 3.13Å; A869-R872 HydrophobicContact CB-CB 4.28Å; A869-R872 HydrophobicContact CB-CG 4.39Å; A869-R872 WeakPolarHBondContact O-CB 3.48Å; A869-R872 PolarHBondContact O-N 2.83Å; R872-T874 PolarHBondContact O-N 2.98Å
873P90.2Very high90Very high15 Ų1571.1 Ų71.110%0.09740%0.395CS..PPolyproline II helixtrans-60.1134.2172.1-22.333.8000110.6L860 Q863 N864 P871 L878L860-P873 HydrophobicContact CD2-CG 3.88Å; Q863-P873 HydrophobicContact CB-CG 3.88Å; N864-P873 HydrophobicContact CB-CB 4.48Å; N864-P873 PolarHBondContact ND2-O 2.68Å; P871-P873 WeakPolarHBondContact O-CD 3.33Å; P873-L878 HydrophobicContact CB-CD2 4.4Å
874T90.6Very high90.2Very high79 Ų7972.8 Ų72.849%0.48541%0.406SS..PPolyproline II helixtrans-80.4156.5176.9-39.40000110.3R872 Q876 D877 L878R872-T874 PolarHBondContact O-N 2.98Å; T874-Q876 PolarHBondContact O-N 3.09Å; T874-Q876 VanDerWaalsContact O-N 3.09Å; T874-D877 WeakPolarHBondContact CA-OD2 3.38Å; T874-D877 WeakPolarHBondContact CB-OD2 3.48Å; T874-D877 PolarHBondContact N-OD2 2.88Å; T874-D877 WeakPolarHBondContact O-CB 3.42Å; T874-D877 PolarHBondContact O-N 3.46Å; T874-D877 PolarHBondContact OG1-OD2 2.96Å; T874-L878 PolarHBondContact O-N 3.16Å
875A90.7Very high90.4Very high41 Ų4172.2 Ų72.234%0.33940%0.403SS..Hα-helixtrans-51.2-30.8168.100000113.6R799 A879R799-A875 VanDerWaalsContact O-CB 3.22Å; R799-A875 WeakPolarHBondContact O-CB 3.29Å; A875-A879 PolarHBondContact O-N 3.18Å; A875-A879 VanDerWaalsContact O-N 3.1Å
876Q92.8Very high90.7Very high157 Ų15773.9 Ų73.973%0.73441%0.41SS*.Hα-helixtrans-77.2-32.5175.3-176.2169.6-25.700113.1T874 A879 G880T874-Q876 PolarHBondContact O-N 3.09Å; T874-Q876 VanDerWaalsContact O-N 3.09Å; Q876-A879 PolarHBondContact O-N 3.33Å; Q876-G880 PolarHBondContact O-N 3.08Å
877D93.7Very high91.1Very high91 Ų9175.4 Ų75.449%0.48742%0.417SS..Hα-helixtrans-70.3-38.2174.9-53.6-44.9000110.3T874 G880 F881T874-D877 WeakPolarHBondContact CA-OD2 3.38Å; T874-D877 WeakPolarHBondContact CB-OD2 3.48Å; T874-D877 PolarHBondContact N-OD2 2.88Å; T874-D877 WeakPolarHBondContact O-CB 3.42Å; T874-D877 PolarHBondContact O-N 3.46Å; T874-D877 PolarHBondContact OG1-OD2 2.96Å; D877-G880 PolarHBondContact O-N 3.06Å; D877-F881 PolarHBondContact O-N 3.41Å
878L94.3Very high91.7Very high1 Ų172.6 Ų72.61%0.00540%0.399CS..Hα-helixtrans-61.3-43.7169.3-64.7-172.6000112F804 F857 L860 N864 P873 T874 F881 W882F804-L878 HydrophobicContact CB-CD1 4.46Å; F804-L878 HydrophobicContact CD2-CB 3.63Å; F804-L878 HydrophobicContact CD2-CD1 3.6Å; F804-L878 HydrophobicContact CD2-CG 4.3Å; F804-L878 HydrophobicContact CE2-CB 3.56Å; F804-L878 HydrophobicContact CE2-CD1 4.2Å; F804-L878 HydrophobicContact CG-CB 4.2Å; F804-L878 HydrophobicContact CG-CD1 4.3Å; F804-L878 HydrophobicContact CZ-CB 4.05Å; F857-L878 HydrophobicContact CE2-CB 4.17Å; F857-L878 HydrophobicContact CE2-CD2 3.99Å; F857-L878 WeakPolarHBondContact CE2-O 3.47Å; F857-L878 HydrophobicContact CZ-CB 4.37Å; L860-L878 HydrophobicContact CB-CD2 3.85Å; N864-L878 HydrophobicContact CB-CD1 3.65Å; N864-L878 HydrophobicContact CB-CD2 4.49Å; N864-L878 HydrophobicContact CB-CG 4.24Å; P873-L878 HydrophobicContact CB-CD2 4.4Å; T874-L878 PolarHBondContact O-N 3.16Å; L878-F881 PolarHBondContact O-N 3.41Å; L878-W882 VanDerWaalsContact O-CB 3.28Å; L878-W882 WeakPolarHBondContact O-CB 3.46Å; L878-W882 PolarHBondContact O-N 3.11Å
879A94.6Very high92.1Very high22 Ų2265.4 Ų65.418%0.18236%0.361CS..Hα-helixtrans-60-46.6175.800000111.7F804 A875 Q876 F881 W882 D883F804-A879 HydrophobicContact CZ-CB 3.92Å; A875-A879 PolarHBondContact O-N 3.18Å; A875-A879 VanDerWaalsContact O-N 3.1Å; Q876-A879 PolarHBondContact O-N 3.33Å; A879-F881 PolarHBondContact O-N 3.33Å; A879-W882 PolarHBondContact O-N 2.88Å; A879-D883 VanDerWaalsContact O-CG 3.31Å; A879-D883 PolarHBondContact O-N 2.84Å
880G95.2Very high92.7Very high36 Ų3669.6 Ų69.637%0.37138%0.376SS..Hα-helixtrans-63.7-37.8177.800000113.6Q876 D877 L884Q876-G880 PolarHBondContact O-N 3.08Å; D877-G880 PolarHBondContact O-N 3.06Å; G880-L884 PolarHBondContact O-N 2.86Å
881F95.3Very high93.8Very high51 Ų5167.4 Ų67.422%0.22436%0.364CS..Hα-helixtrans-69.2-39.7173.1-162.9-72.7000111.4K853 Q856 F857 L860 D877 L878 A879 L884 L885K853-F881 HydrophobicContact CD-CZ 4.29Å; Q856-F881 HydrophobicContact CB-CZ 4.1Å; F857-F881 HydrophobicContact CB-CD1 3.94Å; F857-F881 HydrophobicContact CB-CE1 3.75Å; F857-F881 HydrophobicContact CD2-CB 3.96Å; F857-F881 AromaticContact CD2-CD1 3.32Å; F857-F881 HydrophobicContact CD2-CD1 3.32Å; F857-F881 HydrophobicContact CD2-CE1 4.04Å; F857-F881 AromaticContact CD2-CG 3.84Å; F857-F881 HydrophobicContact CD2-CG 3.84Å; F857-F881 HydrophobicContact CE2-CB 4Å; F857-F881 HydrophobicContact CE2-CD1 4.12Å; F857-F881 HydrophobicContact CE2-CG 4.39Å; F857-F881 AromaticContact CG-CD1 3.91Å; F857-F881 HydrophobicContact CG-CD1 3.91Å; F857-F881 HydrophobicContact CG-CE1 4.25Å; L860-F881 HydrophobicContact CD1-CD2 3.58Å; L860-F881 HydrophobicContact CD1-CE2 3.77Å; L860-F881 HydrophobicContact CD1-CG 4.07Å; L860-F881 HydrophobicContact CD1-CZ 4.4Å; D877-F881 PolarHBondContact O-N 3.41Å; L878-F881 PolarHBondContact O-N 3.41Å; A879-F881 PolarHBondContact O-N 3.33Å; F881-L884 PolarHBondContact O-N 3.05Å; F881-L885 HydrophobicContact CE1-CD1 4.46Å; F881-L885 WeakPolarHBondContact O-CB 3.43Å; F881-L885 PolarHBondContact O-N 2.91Å
882W96.2Very high94.5Very high22 Ų2262.6 Ų62.68%0.08333%0.333CS..Hα-helixtrans-63-40.2176.9178.9-99.4000112.6F804 L807 L808 E811 F857 L878 A879 L884 L885 Q886 I889F804-W882 HydrophobicContact CD1-CB 4.09Å; F804-W882 HydrophobicContact CD1-CD2 4.5Å; F804-W882 HydrophobicContact CD1-CG 4.17Å; F804-W882 HydrophobicContact CE1-CB 3.73Å; F804-W882 AromaticContact CE1-CG 3.95Å; F804-W882 HydrophobicContact CE1-CG 3.95Å; L807-W882 HydrophobicContact CD1-CZ2 4.32Å; L807-W882 HydrophobicContact CD2-CD2 4.17Å; L807-W882 VanDerWaalsContact CD2-CE2 3.44Å; L807-W882 HydrophobicContact CD2-CH2 4.1Å; L807-W882 HydrophobicContact CD2-CZ2 3.42Å; L807-W882 VanDerWaalsContact CD2-CZ2 3.42Å; L807-W882 HydrophobicContact CG-CH2 3.74Å; L807-W882 HydrophobicContact CG-CZ2 3.47Å; L807-W882 VanDerWaalsContact CG-CZ2 3.47Å; L807-W882 HydrophobicContact CG-CZ3 4.49Å; L808-W882 HydrophobicContact CB-CZ3 4.36Å; L808-W882 HydrophobicContact CD1-CZ3 4.12Å; E811-W882 HydrophobicContact CB-CH2 4.02Å; E811-W882 HydrophobicContact CG-CH2 4.07Å; F857-W882 HydrophobicContact CD1-CE3 4.06Å; F857-W882 HydrophobicContact CD1-CZ3 4.5Å; F857-W882 HydrophobicContact CE1-CD2 4.43Å; F857-W882 AromaticContact CE1-CE3 3.52Å; F857-W882 HydrophobicContact CE1-CE3 3.52Å; F857-W882 HydrophobicContact CE1-CZ3 4.2Å; F857-W882 HydrophobicContact CE2-CB 4.32Å; F857-W882 HydrophobicContact CZ-CB 3.88Å; F857-W882 HydrophobicContact CZ-CE3 4.08Å; L878-W882 VanDerWaalsContact O-CB 3.28Å; L878-W882 WeakPolarHBondContact O-CB 3.46Å; L878-W882 PolarHBondContact O-N 3.11Å; A879-W882 PolarHBondContact O-N 2.88Å; W882-L884 VanDerWaalsContact C-N 3.34Å; W882-L884 PolarHBondContact O-N 3.29Å; W882-L885 HydrophobicContact CE3-CD2 3.9Å; W882-L885 HydrophobicContact CZ3-CD2 3.88Å; W882-L885 CarbonylContact O-C 3.34Å; W882-L885 WeakPolarHBondContact O-CA 3.37Å; W882-L885 WeakPolarHBondContact O-CB 3.37Å; W882-L885 PolarHBondContact O-N 2.67Å; W882-L885 VanDerWaalsContact O-N 3.09Å; W882-Q886 HydrophobicContact CD2-CG 4.39Å; W882-Q886 HydrophobicContact CZ2-CG 3.86Å; W882-Q886 PolarHBondContact O-N 2.86Å; W882-I889 HydrophobicContact CH2-CD1 4.49Å
883D96.2Very high94.9Very high100 Ų10057 Ų5754%0.53531%0.313SS..Hα-helixtrans-63.9-40.2176.2-68.1-18.3000111.2A879 L885 Q886 L887A879-D883 VanDerWaalsContact O-CG 3.31Å; A879-D883 PolarHBondContact O-N 2.84Å; D883-L885 VanDerWaalsContact C-N 3.32Å; D883-Q886 PolarHBondContact O-N 3.19Å; D883-L887 WeakPolarHBondContact O-CG 3.38Å; D883-L887 PolarHBondContact O-N 3.43Å; D883-L887 VanDerWaalsContact O-N 3.14Å
884L95.3Very high95.2Very high123 Ų12361.4 Ų61.464%0.64433%0.333SS*.Hα-helixtrans-64.6-35.9170.6-98.567000112.4G880 F881 W882 S888G880-L884 PolarHBondContact O-N 2.86Å; F881-L884 PolarHBondContact O-N 3.05Å; W882-L884 VanDerWaalsContact C-N 3.34Å; W882-L884 PolarHBondContact O-N 3.29Å; L884-S888 PolarHBondContact O-N 2.99Å
885L96.3Very high95.4Very high3 Ų361.2 Ų61.22%0.01633%0.326CS..Hα-helixtrans-67.5-45.2177.5-160.962.5000110.6L808 L849 K853 F854 F857 F881 W882 D883 L887 S888 I889L808-L885 HydrophobicContact CD1-CD2 3.82Å; L849-L885 HydrophobicContact CD1-CD1 4.37Å; K853-L885 HydrophobicContact CB-CD1 3.59Å; F854-L885 HydrophobicContact CD1-CD1 3.79Å; F854-L885 HydrophobicContact CD1-CD2 3.93Å; F854-L885 HydrophobicContact CD1-CG 4.15Å; F854-L885 HydrophobicContact CE1-CD1 3.79Å; F854-L885 HydrophobicContact CE1-CD2 3.91Å; F854-L885 HydrophobicContact CE1-CG 3.84Å; F857-L885 HydrophobicContact CB-CD2 4.19Å; F857-L885 HydrophobicContact CD1-CD2 4.09Å; F857-L885 HydrophobicContact CG-CD2 4.22Å; F881-L885 HydrophobicContact CE1-CD1 4.46Å; F881-L885 WeakPolarHBondContact O-CB 3.43Å; F881-L885 PolarHBondContact O-N 2.91Å; W882-L885 HydrophobicContact CE3-CD2 3.9Å; W882-L885 HydrophobicContact CZ3-CD2 3.88Å; W882-L885 CarbonylContact O-C 3.34Å; W882-L885 WeakPolarHBondContact O-CA 3.37Å; W882-L885 WeakPolarHBondContact O-CB 3.37Å; W882-L885 PolarHBondContact O-N 2.67Å; W882-L885 VanDerWaalsContact O-N 3.09Å; D883-L885 VanDerWaalsContact C-N 3.32Å; L885-L887 VanDerWaalsContact C-N 3.33Å; L885-L887 PolarHBondContact O-N 2.91Å; L885-S888 CarbonylContact O-C 3.54Å; L885-S888 WeakPolarHBondContact O-CA 3.31Å; L885-S888 PolarHBondContact O-N 2.81Å; L885-S888 PolarHBondContact O-OG 3.25Å; L885-I889 HydrophobicContact CG-CD1 4.02Å; L885-I889 WeakPolarHBondContact O-CD1 3.3Å; L885-I889 VanDerWaalsContact O-CG1 3.26Å; L885-I889 WeakPolarHBondContact O-CG1 3.47Å; L885-I889 PolarHBondContact O-N 3.18Å
886Q96.8Very high95.7Very high70 Ų7059.3 Ų59.333%0.32731%0.31SS..Hα-helixtrans-58.6-40175.3-82.4-72.4-53.600112.6E811 W882 D883 S888 I889 E890E811-Q886 PolarHBondContact OE2-NE2 3.45Å; E811-Q886 VanDerWaalsContact OE2-NE2 3.09Å; W882-Q886 HydrophobicContact CD2-CG 4.39Å; W882-Q886 HydrophobicContact CZ2-CG 3.86Å; W882-Q886 PolarHBondContact O-N 2.86Å; D883-Q886 PolarHBondContact O-N 3.19Å; Q886-S888 VanDerWaalsContact C-N 3.31Å; Q886-S888 PolarHBondContact O-N 2.76Å; Q886-I889 WeakPolarHBondContact O-CB 3.33Å; Q886-I889 PolarHBondContact O-N 3.4Å; Q886-E890 WeakPolarHBondContact O-CB 3.28Å; Q886-E890 PolarHBondContact O-N 2.94Å
887L96.4Very high95.8Very high121 Ų12155.6 Ų55.663%0.63430%0.295SS*.Hα-helixtrans-58.8-42.6171.8-70.5172000112.1D883 L885 E890 D891D883-L887 WeakPolarHBondContact O-CG 3.38Å; D883-L887 PolarHBondContact O-N 3.43Å; D883-L887 VanDerWaalsContact O-N 3.14Å; L885-L887 VanDerWaalsContact C-N 3.33Å; L885-L887 PolarHBondContact O-N 2.91Å; L887-E890 PolarHBondContact O-N 3.34Å; L887-D891 PolarHBondContact O-N 3.41Å
888S96.4Very high95.8Very high32 Ų3255.8 Ų55.822%0.22429%0.293CS..Hα-helixtrans-74.2-23.2177.263.80000114.4L849 L884 L885 Q886 I892L849-S888 VanDerWaalsContact CD1-OG 3.3Å; L849-S888 WeakPolarHBondContact CD1-OG 3.38Å; L884-S888 PolarHBondContact O-N 2.99Å; L885-S888 CarbonylContact O-C 3.54Å; L885-S888 WeakPolarHBondContact O-CA 3.31Å; L885-S888 PolarHBondContact O-N 2.81Å; L885-S888 PolarHBondContact O-OG 3.25Å; Q886-S888 VanDerWaalsContact C-N 3.31Å; Q886-S888 PolarHBondContact O-N 2.76Å; S888-I892 VanDerWaalsContact O-CG1 3.31Å; S888-I892 WeakPolarHBondContact O-CG1 3.36Å
889I96.1Very high95.8Very high2 Ų255.9 Ų55.91%0.0129%0.293CS..Hα-helixtrans-72.5-41.7171.5-69.8157.6000109.7E811 R814 L815 L849 F854 W882 L885 Q886 I892 S893E811-I889 HydrophobicContact CG-CD1 3.48Å; E811-I889 VanDerWaalsContact CG-CD1 3.48Å; E811-I889 HydrophobicContact CG-CG1 4.23Å; E811-I889 HydrophobicContact CG-CG2 4.48Å; E811-I889 WeakPolarHBondContact OE1-CG2 3.29Å; R814-I889 VanDerWaalsContact NH2-CG2 3.28Å; L815-I889 HydrophobicContact CD1-CG1 4.12Å; L815-I889 HydrophobicContact CD1-CG2 4.37Å; L849-I889 HydrophobicContact CD2-CG1 3.92Å; F854-I889 HydrophobicContact CE1-CD1 4.15Å; F854-I889 HydrophobicContact CE1-CG1 4.1Å; F854-I889 HydrophobicContact CZ-CD1 3.9Å; F854-I889 HydrophobicContact CZ-CG1 3.96Å; W882-I889 HydrophobicContact CH2-CD1 4.49Å; L885-I889 HydrophobicContact CG-CD1 4.02Å; L885-I889 WeakPolarHBondContact O-CD1 3.3Å; L885-I889 VanDerWaalsContact O-CG1 3.26Å; L885-I889 WeakPolarHBondContact O-CG1 3.47Å; L885-I889 PolarHBondContact O-N 3.18Å; Q886-I889 WeakPolarHBondContact O-CB 3.33Å; Q886-I889 PolarHBondContact O-N 3.4Å; I889-I892 CarbonylContact O-C 3.57Å; I889-I892 PolarHBondContact O-N 2.82Å; I889-I892 VanDerWaalsContact O-N 3.12Å; I889-S893 PolarHBondContact O-N 3.3Å
890E96.9Very high95.7Very high114 Ų11458 Ų5853%0.53330%0.297SS..Hα-helixtrans-70.9-37178.2-170.273157.100112.3Q886 L887 I892 S893 M894Q886-E890 WeakPolarHBondContact O-CB 3.28Å; Q886-E890 PolarHBondContact O-N 2.94Å; L887-E890 PolarHBondContact O-N 3.34Å; E890-I892 PolarHBondContact O-N 3.37Å; E890-I892 VanDerWaalsContact O-N 3.08Å; E890-S893 WeakPolarHBondContact CA-OG 3.22Å; E890-S893 PolarHBondContact O-N 3.28Å; E890-S893 PolarHBondContact O-OG 2.7Å; E890-S893 PolarHBondContact OE2-OG 2.78Å; E890-M894 WeakPolarHBondContact O-CG 3.46Å; E890-M894 PolarHBondContact O-N 3.04Å; E890-M894 VanDerWaalsContact O-N 3.14Å
891D96.6Very high95.5Very high103 Ų10362.4 Ų62.455%0.55131%0.308SS*.Hα-helixtrans-59.4-18.4168.9-98.1-3.4000113.2L887 M894 K895L887-D891 PolarHBondContact O-N 3.41Å; D891-M894 WeakPolarHBondContact OD1-CE 3.24Å; D891-K895 VanDerWaalsContact O-CE 3.26Å; D891-K895 WeakPolarHBondContact O-CE 3.37Å
892I96.7Very high95.2Very high8 Ų860.6 Ų60.64%0.04130%0.3CS..Hα-helixtrans-100.8-34.7177.4-68.5178.7000111.5L815 S845 A846 L849 S888 I889 E890 M894 K895 F896L815-I892 HydrophobicContact CD2-CG2 3.68Å; S845-I892 WeakPolarHBondContact O-CD1 3.44Å; A846-I892 HydrophobicContact CB-CG2 3.92Å; L849-I892 HydrophobicContact CB-CD1 3.95Å; L849-I892 HydrophobicContact CD2-CD1 3.84Å; L849-I892 HydrophobicContact CG-CD1 4.43Å; S888-I892 VanDerWaalsContact O-CG1 3.31Å; S888-I892 WeakPolarHBondContact O-CG1 3.36Å; I889-I892 CarbonylContact O-C 3.57Å; I889-I892 PolarHBondContact O-N 2.82Å; I889-I892 VanDerWaalsContact O-N 3.12Å; E890-I892 PolarHBondContact O-N 3.37Å; E890-I892 VanDerWaalsContact O-N 3.08Å; I892-M894 VanDerWaalsContact C-N 3.32Å; I892-M894 PolarHBondContact O-N 3.02Å; I892-K895 WeakPolarHBondContact O-CB 3.28Å; I892-K895 PolarHBondContact O-N 2.95Å; I892-F896 HydrophobicContact CG2-CD2 3.76Å; I892-F896 HydrophobicContact CG2-CE2 3.53Å; I892-F896 WeakPolarHBondContact O-CD2 3.48Å; I892-F896 PolarHBondContact O-N 3.37Å; I892-F896 VanDerWaalsContact O-N 3.14Å
893S96.3Very high94.8Very high7 Ų763.4 Ų63.45%0.04931%0.313CS..Hα-helixtrans-56.4-46.4172.270.80000111I889 E890 K895 F896 D897I889-S893 PolarHBondContact O-N 3.3Å; E890-S893 WeakPolarHBondContact CA-OG 3.22Å; E890-S893 PolarHBondContact O-N 3.28Å; E890-S893 PolarHBondContact O-OG 2.7Å; E890-S893 PolarHBondContact OE2-OG 2.78Å; S893-K895 PolarHBondContact O-N 3.32Å; S893-K895 VanDerWaalsContact O-N 3.12Å; S893-F896 PolarHBondContact O-N 2.88Å; S893-D897 PolarHBondContact O-N 3.07Å
894M96.3Very high94.4Very high107 Ų10762.3 Ų62.353%0.52732%0.318SS..Hα-helixtrans-56.1-31.4175.6-71.4-170.1-7200113.7E890 D891 I892 E898E890-M894 WeakPolarHBondContact O-CG 3.46Å; E890-M894 PolarHBondContact O-N 3.04Å; E890-M894 VanDerWaalsContact O-N 3.14Å; D891-M894 WeakPolarHBondContact OD1-CE 3.24Å; I892-M894 VanDerWaalsContact C-N 3.32Å; I892-M894 PolarHBondContact O-N 3.02Å; M894-E898 PolarHBondContact O-N 2.86Å; M894-E898 VanDerWaalsContact O-N 3.11Å
895K95.5Very high94Very high75 Ų7560.3 Ų60.333%0.32631%0.308SS..Hα-helixtrans-75.5-43.4176.4-56.9177.3-164.7173.40111.5A842 S845 D891 I892 S893 D897 E898 L899A842-K895 HydrophobicContact CB-CB 3.85Å; A842-K895 HydrophobicContact CB-CD 4.33Å; S845-K895 PolarHBondContact OG-NZ 2.97Å; D891-K895 VanDerWaalsContact O-CE 3.26Å; D891-K895 WeakPolarHBondContact O-CE 3.37Å; I892-K895 WeakPolarHBondContact O-CB 3.28Å; I892-K895 PolarHBondContact O-N 2.95Å; S893-K895 PolarHBondContact O-N 3.32Å; S893-K895 VanDerWaalsContact O-N 3.12Å; K895-D897 VanDerWaalsContact C-N 3.28Å; K895-D897 PolarHBondContact O-N 3.2Å; K895-E898 PolarHBondContact O-N 3.31Å; K895-L899 WeakPolarHBondContact O-CG 3.34Å; K895-L899 PolarHBondContact O-N 3.45Å
896F95.7Very high93.4Very high0 Ų064.6 Ų64.60%034%0.338CS..Hα-helixtrans-64.4-35.2174.8-76.2-71.5000111.2L815 W818 M822 V843 A846 I892 S893 L899 Y900L815-F896 HydrophobicContact CD2-CE2 4.28Å; W818-F896 HydrophobicContact CB-CD1 3.98Å; W818-F896 HydrophobicContact CB-CD2 4.23Å; W818-F896 HydrophobicContact CB-CE1 3.85Å; W818-F896 HydrophobicContact CB-CE2 4.1Å; W818-F896 HydrophobicContact CB-CG 4.18Å; W818-F896 HydrophobicContact CB-CZ 3.91Å; W818-F896 HydrophobicContact CD2-CB 4.33Å; W818-F896 HydrophobicContact CD2-CD2 4.16Å; W818-F896 HydrophobicContact CD2-CG 4.2Å; W818-F896 HydrophobicContact CE3-CB 4.14Å; W818-F896 AromaticContact CE3-CD2 3.46Å; W818-F896 HydrophobicContact CE3-CD2 3.46Å; W818-F896 VanDerWaalsContact CE3-CD2 3.46Å; W818-F896 HydrophobicContact CE3-CE2 4.03Å; W818-F896 AromaticContact CE3-CG 3.92Å; W818-F896 HydrophobicContact CE3-CG 3.92Å; W818-F896 HydrophobicContact CG-CG 4.4Å; W818-F896 HydrophobicContact CZ3-CB 4.32Å; W818-F896 AromaticContact CZ3-CD2 4Å; W818-F896 HydrophobicContact CZ3-CD2 4Å; W818-F896 HydrophobicContact CZ3-CG 4.48Å; M822-F896 HydrophobicContact CB-CE1 4.32Å; M822-F896 HydrophobicContact CG-CD1 3.62Å; M822-F896 HydrophobicContact CG-CE1 3.56Å; V843-F896 HydrophobicContact CG2-CE1 4.2Å; V843-F896 HydrophobicContact CG2-CZ 4.4Å; A846-F896 HydrophobicContact CB-CE2 3.93Å; A846-F896 HydrophobicContact CB-CZ 4.12Å; I892-F896 HydrophobicContact CG2-CD2 3.76Å; I892-F896 HydrophobicContact CG2-CE2 3.53Å; I892-F896 WeakPolarHBondContact O-CD2 3.48Å; I892-F896 PolarHBondContact O-N 3.37Å; I892-F896 VanDerWaalsContact O-N 3.14Å; S893-F896 PolarHBondContact O-N 2.88Å; F896-L899 HydrophobicContact CD1-CD1 4.39Å; F896-L899 CarbonylContact O-C 3.54Å; F896-L899 WeakPolarHBondContact O-CB 3.46Å; F896-L899 PolarHBondContact O-N 3.4Å; F896-Y900 HydrophobicContact CB-CD2 4.43Å; F896-Y900 HydrophobicContact CB-CE2 4.28Å; F896-Y900 WeakPolarHBondContact O-CD2 3.44Å; F896-Y900 PolarHBondContact O-N 2.84Å
897D95.4Very high92.9Very high79 Ų7962.6 Ų62.642%0.42233%0.328SS..Hα-helixtrans-65.8-39.7172.7-74.8-18.9000112.6S893 K895 L899 Y900 H901S893-D897 PolarHBondContact O-N 3.07Å; K895-D897 VanDerWaalsContact C-N 3.28Å; K895-D897 PolarHBondContact O-N 3.2Å; D897-L899 VanDerWaalsContact C-N 3.28Å; D897-L899 PolarHBondContact O-N 3.1Å; D897-Y900 PolarHBondContact O-N 3.18Å; D897-H901 WeakPolarHBondContact O-CB 3.31Å; D897-H901 PolarHBondContact O-CD2 3.01Å; D897-H901 PolarHBondContact O-N 2.99Å
898E94.3Very high91.6Very high96 Ų9663.7 Ų63.745%0.44933%0.329SS..Hα-helixtrans-59.2-41.6170.5-168.9-174155.200111K838 M894 K895 H901 L902K838-E898 WeakPolarHBondContact CE-OE1 3.4Å; K838-E898 IonicContact NZ-OE1 2.68Å; K838-E898 PolarHBondContact NZ-OE1 3.31Å; M894-E898 PolarHBondContact O-N 2.86Å; M894-E898 VanDerWaalsContact O-N 3.11Å; K895-E898 PolarHBondContact O-N 3.31Å; E898-H901 PolarHBondContact O-N 2.83Å; E898-L902 HydrophobicContact CG-CD1 4.38Å; E898-L902 WeakPolarHBondContact O-CG 3.24Å; E898-L902 PolarHBondContact O-N 3.33Å
899L92.8Very high90.3Very high2 Ų264.6 Ų64.61%0.0133%0.332CS..Hα-helixtrans-68.7-41.7177.8-66.9172.8000112.8M822 K838 V839 A842 K895 F896 D897 H901 L902 K903M822-L899 HydrophobicContact CG-CD1 4.24Å; M822-L899 HydrophobicContact SD-CB 3.76Å; M822-L899 HydrophobicContact SD-CD1 4.12Å; K838-L899 HydrophobicContact CB-CD2 3.84Å; V839-L899 HydrophobicContact CB-CD1 4.44Å; V839-L899 HydrophobicContact CB-CD2 4.48Å; V839-L899 HydrophobicContact CG2-CD1 4.08Å; V839-L899 HydrophobicContact CG2-CD2 3.62Å; V839-L899 HydrophobicContact CG2-CG 4.43Å; A842-L899 HydrophobicContact CB-CD1 3.52Å; K895-L899 WeakPolarHBondContact O-CG 3.34Å; K895-L899 PolarHBondContact O-N 3.45Å; F896-L899 HydrophobicContact CD1-CD1 4.39Å; F896-L899 CarbonylContact O-C 3.54Å; F896-L899 WeakPolarHBondContact O-CB 3.46Å; F896-L899 PolarHBondContact O-N 3.4Å; D897-L899 VanDerWaalsContact C-N 3.28Å; D897-L899 PolarHBondContact O-N 3.1Å; L899-H901 VanDerWaalsContact C-N 3.29Å; L899-H901 PolarHBondContact O-N 3.13Å; L899-L902 HydrophobicContact CD2-CD1 4.31Å; L899-L902 PolarHBondContact O-N 2.95Å; L899-L902 VanDerWaalsContact O-N 3.15Å; L899-K903 WeakPolarHBondContact O-CB 3.45Å; L899-K903 PolarHBondContact O-N 3.39Å
900Y93Very high88.3Confident68 Ų6868.5 Ų68.527%0.26736%0.355SS..Hα-helixtrans-64.3-33.9173.3-75.9-56.4000111.8M822 F896 D897 K903 A904M822-Y900 HydrophobicContact CE-CD1 3.9Å; M822-Y900 HydrophobicContact CE-CE1 3.39Å; F896-Y900 HydrophobicContact CB-CD2 4.43Å; F896-Y900 HydrophobicContact CB-CE2 4.28Å; F896-Y900 WeakPolarHBondContact O-CD2 3.44Å; F896-Y900 PolarHBondContact O-N 2.84Å; D897-Y900 PolarHBondContact O-N 3.18Å; Y900-K903 HydrophobicContact CD1-CD 4.35Å; Y900-A904 WeakPolarHBondContact O-CB 3.14Å; Y900-A904 PolarHBondContact O-N 2.89Å
901H90.9Very high85.7Confident128 Ų12870 Ų7059%0.59336%0.363SS*.Hα-helixtrans-68.6-38.6169.9-77.6-49.4000112.8D897 E898 L899 A904 N905D897-H901 WeakPolarHBondContact O-CB 3.31Å; D897-H901 PolarHBondContact O-CD2 3.01Å; D897-H901 PolarHBondContact O-N 2.99Å; E898-H901 PolarHBondContact O-N 2.83Å; L899-H901 VanDerWaalsContact C-N 3.29Å; L899-H901 PolarHBondContact O-N 3.13Å; H901-A904 PolarHBondContact O-N 3.12Å; H901-N905 PolarHBondContact O-N 3.19Å; H901-N905 PolarHBondContact O-ND2 3.43Å
902L89Confident82.9Confident12 Ų1270 Ų706%0.06337%0.366CS..Hα-helixtrans-65.5-41.1173.2-73.7165.9000111.7K838 E898 L899 N905 S906 W907 L909K838-L902 HydrophobicContact CD-CD1 3.98Å; E898-L902 HydrophobicContact CG-CD1 4.38Å; E898-L902 WeakPolarHBondContact O-CG 3.24Å; E898-L902 PolarHBondContact O-N 3.33Å; L899-L902 HydrophobicContact CD2-CD1 4.31Å; L899-L902 PolarHBondContact O-N 2.95Å; L899-L902 VanDerWaalsContact O-N 3.15Å; L902-N905 CarbonylContact O-C 3.57Å; L902-N905 WeakPolarHBondContact O-CA 3.26Å; L902-N905 PolarHBondContact O-N 3.04Å; L902-N905 VanDerWaalsContact O-N 3.15Å; L902-S906 PolarHBondContact O-N 2.7Å; L902-W907 HydrophobicContact CB-CE3 4.34Å; L902-W907 WeakPolarHBondContact O-CA 3.28Å; L902-W907 PolarHBondContact O-N 3.16Å; L902-L909 HydrophobicContact CD2-CD1 4.25Å
903K87.2Confident80.3Confident81 Ų8174.8 Ų74.835%0.35240%0.398SS..Hα-helixtrans-57.5-47.1171.3-175.3-167.4-171175.40112E825 L899 Y900 N905 S906 W907E825-K903 VanDerWaalsContact CD-CE 3.49Å; E825-K903 VanDerWaalsContact CD-NZ 3.31Å; E825-K903 VanDerWaalsContact OE1-CE 3.31Å; E825-K903 WeakPolarHBondContact OE1-CE 3.26Å; E825-K903 IonicContact OE1-NZ 2.62Å; E825-K903 PolarHBondContact OE1-NZ 2.87Å; E825-K903 WeakPolarHBondContact OE2-CD 3.47Å; E825-K903 WeakPolarHBondContact OE2-CE 3.42Å; E825-K903 IonicContact OE2-NZ 3.44Å; L899-K903 WeakPolarHBondContact O-CB 3.45Å; L899-K903 PolarHBondContact O-N 3.39Å; Y900-K903 HydrophobicContact CD1-CD 4.35Å; K903-N905 PolarHBondContact O-N 2.84Å; K903-S906 WeakPolarHBondContact O-CA 3.45Å; K903-S906 PolarHBondContact O-N 3.07Å; K903-W907 HydrophobicContact CB-CD2 4.37Å; K903-W907 HydrophobicContact CB-CE3 4.27Å; K903-W907 HydrophobicContact CB-CH2 3.63Å; K903-W907 HydrophobicContact CB-CZ2 3.7Å; K903-W907 HydrophobicContact CB-CZ3 3.92Å; K903-W907 HydrophobicContact CD-CZ2 4.25Å; K903-W907 HydrophobicContact CG-CH2 4.01Å; K903-W907 HydrophobicContact CG-CZ2 3.57Å
904A88.7Confident77.8Confident78 Ų7880.9 Ų80.965%0.64543%0.426SS*.Hα-helixtrans-62.7-29177.400000112.5Y900 H901 S906Y900-A904 WeakPolarHBondContact O-CB 3.14Å; Y900-A904 PolarHBondContact O-N 2.89Å; H901-A904 PolarHBondContact O-N 3.12Å; A904-S906 PolarHBondContact O-N 3.11Å
905N87.7Confident75.1Confident81 Ų8183.9 Ų83.943%0.43344%0.436SS..THydrogen-bonded Turntrans-8524.4169.7-66.5-56000113.1H901 L902 K903 W907 Q908 V910H901-N905 PolarHBondContact O-N 3.19Å; H901-N905 PolarHBondContact O-ND2 3.43Å; L902-N905 CarbonylContact O-C 3.57Å; L902-N905 WeakPolarHBondContact O-CA 3.26Å; L902-N905 PolarHBondContact O-N 3.04Å; L902-N905 VanDerWaalsContact O-N 3.15Å; K903-N905 PolarHBondContact O-N 2.84Å; N905-W907 VanDerWaalsContact C-N 3.29Å; N905-W907 PolarHBondContact O-N 3.49Å; N905-Q908 WeakPolarHBondContact O-CB 3.41Å; N905-Q908 PolarHBondContact O-N 2.88Å; N905-V910 HydrophobicContact CB-CG2 4.18Å
906S83.7Confident72.3Confident93 Ų9390.4 Ų90.465%0.6546%0.458SS*.THydrogen-bonded Turntrans55.837.9179-56.20000114L902 K903 A904 Q908L902-S906 PolarHBondContact O-N 2.7Å; K903-S906 WeakPolarHBondContact O-CA 3.45Å; K903-S906 PolarHBondContact O-N 3.07Å; A904-S906 PolarHBondContact O-N 3.11Å; S906-Q908 PolarHBondContact O-N 2.86Å
907W84.3Confident69.6Low28 Ų2899.4 Ų99.411%0.10650%0.497CS..THydrogen-bonded Turntrans599.6-174.6-54.7114.4000115.5M822 E825 N829 L831 V835 L902 K903 N905 L909M822-W907 HydrophobicContact SD-CH2 4.38Å; E825-W907 HydrophobicContact CB-CH2 4.19Å; E825-W907 HydrophobicContact CB-CZ2 3.73Å; E825-W907 HydrophobicContact CG-CZ2 4.12Å; E825-W907 VanDerWaalsContact OE2-CH2 3.23Å; E825-W907 WeakPolarHBondContact OE2-CH2 3.19Å; E825-W907 WeakPolarHBondContact OE2-CZ2 3.19Å; N829-W907 VanDerWaalsContact CG-NE1 3.32Å; N829-W907 PolarHBondContact OD1-NE1 3.49Å; L831-W907 HydrophobicContact CD2-CB 3.81Å; L831-W907 HydrophobicContact CD2-CD2 3.32Å; L831-W907 HydrophobicContact CD2-CE3 3.75Å; L831-W907 HydrophobicContact CD2-CG 3.36Å; L831-W907 HydrophobicContact CD2-CZ2 4.38Å; L831-W907 HydrophobicContact CD2-CZ3 4.4Å; V835-W907 HydrophobicContact CG1-CE3 3.71Å; V835-W907 HydrophobicContact CG1-CZ3 4.21Å; L902-W907 HydrophobicContact CB-CE3 4.34Å; L902-W907 WeakPolarHBondContact O-CA 3.28Å; L902-W907 PolarHBondContact O-N 3.16Å; K903-W907 HydrophobicContact CB-CD2 4.37Å; K903-W907 HydrophobicContact CB-CE3 4.27Å; K903-W907 HydrophobicContact CB-CH2 3.63Å; K903-W907 HydrophobicContact CB-CZ2 3.7Å; K903-W907 HydrophobicContact CB-CZ3 3.92Å; K903-W907 HydrophobicContact CD-CZ2 4.25Å; K903-W907 HydrophobicContact CG-CH2 4.01Å; K903-W907 HydrophobicContact CG-CZ2 3.57Å; N905-W907 VanDerWaalsContact C-N 3.29Å; N905-W907 PolarHBondContact O-N 3.49Å; W907-L909 PolarHBondContact O-N 3.49Å
908Q70.8Confident66.8Low143 Ų143104 Ų10467%0.66852%0.516SS*.  trans-72115.8169.5-58-171.710.500107.1N905 S906 V910N905-Q908 WeakPolarHBondContact O-CB 3.41Å; N905-Q908 PolarHBondContact O-N 2.88Å; S906-Q908 PolarHBondContact O-N 2.86Å; Q908-V910 PolarHBondContact O-N 2.83Å
909L68.4Low64.2Low51 Ų51108 Ų10827%0.26754%0.535SS..  trans-55.4109.9161.7-176.778.5000106.7E834 V835 L902 W907 E911E834-L909 WeakPolarHBondContact OE1-CD1 3.41Å; E834-L909 VanDerWaalsContact OE2-CD2 3.24Å; E834-L909 WeakPolarHBondContact OE2-CD2 3.37Å; V835-L909 HydrophobicContact CG2-CB 4.27Å; L902-L909 HydrophobicContact CD2-CD1 4.25Å; W907-L909 PolarHBondContact O-N 3.49Å; L909-E911 PolarHBondContact O-N 3.49Å
910V53.5Low61.7Low84 Ų84116.6 Ų116.651%0.50957%0.572SS.*  trans-68.193.1166.8178.40000105.7N905 Q908 T912N905-V910 HydrophobicContact CB-CG2 4.18Å; Q908-V910 PolarHBondContact O-N 2.83Å; V910-T912 VanDerWaalsContact C-N 3.25Å; V910-T912 PolarHBondContact O-N 2.75Å
911E42.4Very low59.1Low147 Ų147122.6 Ų122.669%0.68760%0.6SS**  trans-51.3100.7156-85.6-162.1131.100106.1L909 P913L909-E911 PolarHBondContact O-N 3.49Å; E911-P913 WeakPolarHBondContact O-CD 3.5Å
912T37.5Very low56.8Low102 Ų102121.6 Ų121.663%0.62660%0.604SS**  trans-54.9125.9158.545.20000105.5V910 E914V910-T912 VanDerWaalsContact C-N 3.25Å; V910-T912 PolarHBondContact O-N 2.75Å; T912-E914 PolarHBondContact O-N 2.85Å
913P42.5Very low54.6Low108 Ų108126.5 Ų126.570%0.70164%0.637SS**  trans-73.731.2-170.128.3-35.2000113.6E911 K915 R916E911-P913 WeakPolarHBondContact O-CD 3.5Å; P913-K915 PolarHBondContact O-N 3.23Å; P913-R916 PolarHBondContact O-N 3.42Å
914E43.5Very low52.5Low136 Ų136128.1 Ų128.164%0.63666%0.656SS**THydrogen-bonded Turntrans-57110.6162.9-73.6-151.6174.600110.1T912T912-E914 PolarHBondContact O-N 2.85Å
915K40.9Very low50.3Low170 Ų170130.3 Ų130.374%0.73966%0.663SS**THydrogen-bonded Turntrans80.520.7174.1-43.4129.2-175.1133.20116.5P913 K917P913-K915 PolarHBondContact O-N 3.23Å; K915-K917 PolarHBondContact O-N 2.9Å
916R37.1Very low48.2Very low211 Ų211132.5 Ų132.580%0.79668%0.68SS**SBendtrans-66.993.6132.2-81.5-161.6-174.7-176.15.6106.7P913 E918P913-R916 PolarHBondContact O-N 3.42Å; R916-E918 PolarHBondContact O-N 3.24Å
917K38.1Very low46.5Very low189 Ų189134 Ų13482%0.82269%0.687SS**  trans-48.3126.9174.9-71.1174-179.3167.50108.1K915 E919K915-K917 PolarHBondContact O-N 2.9Å; K917-E919 PolarHBondContact O-N 2.85Å
918E36.9Very low44.6Very low176 Ų176142.5 Ų142.582%0.82273%0.725SS**  trans-6490158.8-172.1-176-165.400107R916 K920R916-E918 PolarHBondContact O-N 3.24Å; E918-K920 PolarHBondContact O-N 3.09Å
919E40.3Very low42.9Very low179 Ų179145.3 Ų145.384%0.83674%0.735SS**  trans-63.2106167.1-174177.7-17700106.2K917 K921K917-E919 PolarHBondContact O-N 2.85Å; E919-K921 PolarHBondContact O-N 2.93Å
920K39.2Very low41.8Very low184 Ų184149.1 Ų149.180%0.876%0.762SS**  trans-68.575.2-161.3-168.5168.4-175.3163.30111.9E918 P922E918-K920 PolarHBondContact O-N 3.09Å; K920-P922 WeakPolarHBondContact O-CD 3.38Å
921K38.4Very low40.9Very low193 Ų193149.4 Ų149.484%0.83977%0.774SS**PPolyproline II helixtrans-60.4116.5-179.3-158.7170.5-171.6173.60107.7E919E919-K921 PolarHBondContact O-N 2.93Å
922P42.8Very low40.9Very low107 Ų107152.1 Ų152.170%0.69578%0.783SS**PPolyproline II helixtrans-64.1147.1-175.425.8-33.8000110.3K920K920-P922 WeakPolarHBondContact O-CD 3.38Å
923P43.4Very low40.8Very low115 Ų115153 Ų15375%0.74779%0.794SS**PPolyproline II helixtrans-62.2148.3-179.926.6-34.9000111.1
924P43Very low40.8Very low116 Ų116157.3 Ų157.375%0.75380%0.801SS**PPolyproline II helixtrans-64.4140.6-179.827.3-34.5000111
925P41.3Very low40.7Very low123 Ų123157.1 Ų157.180%0.79981%0.812SS**PPolyproline II helixtrans-69.4135.3177.728.6-34.1000111.2
926V43.7Very low40.6Very low128 Ų128153.5 Ų153.578%0.77681%0.814SS**PPolyproline II helixtrans-58.1132175.1-179.40000110.1K928V926-K928 PolarHBondContact O-N 2.99Å; V926-K928 VanDerWaalsContact O-N 3.15Å
927P48.8Very low40.7Very low124 Ų124150.6 Ų150.681%0.80582%0.819SS**  trans-66114.3-176.125.5-34.6000111.8
928K43.8Very low40.8Very low206 Ų206146.4 Ų146.490%0.89681%0.814SS**PPolyproline II helixtrans-81.4138.2171-70.3-171.5176-175.90110.7V926V926-K928 PolarHBondContact O-N 2.99Å; V926-K928 VanDerWaalsContact O-N 3.15Å
929K36Very low41Very low203 Ų203149.1 Ų149.188%0.88382%0.816SS**PPolyproline II helixtrans-66.5153.4-178.4-62.3179.8-179.8-1800112.1
930P44.7Very low41.3Very low130 Ų130147.9 Ų147.984%0.84482%0.815SS**PPolyproline II helixtrans-93.7131.7-170.434.7-34.9000115.9
931A34.8Very low41.9Very low90 Ų90148.3 Ų148.374%0.74482%0.817SS**  trans-163.2130.3152.800000106.9
932K41.2Very low42.5Very low205 Ų205142.8 Ų142.889%0.89181%0.807SS**  47.2122.180.7-67-178.2179.2177.60112.2
933S36.7Very low42.9Very low121 Ų121141.4 Ų141.485%0.84680%0.801SS**  cis-153.2178.713.752.50000114.8
934K41.4Very low43.4Very low198 Ų198141.8 Ų141.886%0.86180%0.796SS**  trans-60.2170.5172.9-68.7-178.5-179-179.60113
935P41.8Very low44.2Very low132 Ų132139.3 Ų139.386%0.85779%0.786SS**  cis-129.7-161.914.542.1-23.8000115.6
936A39.7Very low45.3Very low94 Ų94136.6 Ų136.678%0.77777%0.769SS**  trans-116.4153.4-165.400000115.1
937V38.1Very low46.5Very low149 Ų149133.7 Ų133.790%0.90375%0.75SS**  trans-142.4149.5156.2-176.60000108.1
938S40.8Very low48Very low102 Ų102134.8 Ų134.871%0.71374%0.742SS**  trans-91.8151.1-174.952.50000114.3
939R41Very low49.7Very low233 Ų233131.6 Ų131.688%0.87973%0.73SS**  trans-159.452.8160.2-152.4169.7-179.5145.80.2115.6K941R939-K941 PolarHBondContact O-N 2.76Å
940D46.3Very low51.8Low152 Ų152128.8 Ų128.881%0.81371%0.714SS**  trans-69.487.9173.5-67.7-75.6000112.9
941K52.7Low53.5Low193 Ų193128.7 Ų128.784%0.83970%0.702SS**  trans-155.25.1170.4-136.483174-172.40116.1R939R939-K941 PolarHBondContact O-N 2.76Å
942A49.8Very low55.8Low77 Ų77128.6 Ų128.664%0.63669%0.687SS**SBendtrans-106-21.5-170.100000115.6
943S53.2Low57.9Low79 Ų79121.4 Ų121.455%0.55267%0.665SS**Hα-helixtrans-67-51.7-173.645.40000113.5A945 S946 D947S943-A945 VanDerWaalsContact C-N 3.3Å; S943-A945 PolarHBondContact O-N 3.47Å; S943-S946 WeakPolarHBondContact O-CA 3.47Å; S943-S946 WeakPolarHBondContact O-CB 3.02Å; S943-S946 PolarHBondContact O-N 2.95Å; S943-S946 PolarHBondContact O-OG 3.46Å; S943-D947 PolarHBondContact O-N 3.19Å
944D53.1Low60.2Low122 Ų122122.8 Ų122.865%0.65265%0.652SS**Hα-helixtrans-58.3-38-174.3-175.448.4000113.1S946 D947 K948D944-S946 VanDerWaalsContact C-N 3.33Å; D944-S946 PolarHBondContact O-N 3.11Å; D944-D947 PolarHBondContact O-N 3Å; D944-K948 WeakPolarHBondContact O-CB 3.42Å; D944-K948 PolarHBondContact O-N 2.88Å
945A60.6Low62.5Low64 Ų64121 Ų12153%0.52964%0.644SS.*Hα-helixtrans-60.9-41.8173.900000112.2S943 Q949S943-A945 VanDerWaalsContact C-N 3.3Å; S943-A945 PolarHBondContact O-N 3.47Å; A945-Q949 WeakPolarHBondContact O-CB 3.27Å; A945-Q949 PolarHBondContact O-N 3.46Å
946S62.5Low64.7Low66 Ų66121.9 Ų121.946%0.46263%0.63SS.*Hα-helixtrans-70-41.1179.575.80000112.7S943 D944 Q949 R950S943-S946 WeakPolarHBondContact O-CA 3.47Å; S943-S946 WeakPolarHBondContact O-CB 3.02Å; S943-S946 PolarHBondContact O-N 2.95Å; S943-S946 PolarHBondContact O-OG 3.46Å; D944-S946 VanDerWaalsContact C-N 3.33Å; D944-S946 PolarHBondContact O-N 3.11Å; S946-Q949 PolarHBondContact O-N 2.94Å; S946-R950 VanDerWaalsContact O-CB 3.29Å; S946-R950 WeakPolarHBondContact O-CB 3.48Å; S946-R950 PolarHBondContact O-N 3.5Å
947D70.3Confident67Low67 Ų67123.5 Ų123.536%0.35863%0.625SS.*Hα-helixtrans-72.7-32.6176.7-90.9-48.5000112.1S943 D944 R950 Q951S943-D947 PolarHBondContact O-N 3.19Å; D944-D947 PolarHBondContact O-N 3Å; D947-R950 PolarHBondContact O-N 3.07Å; D947-R950 IonicContact OD1-NH1 3.74Å; D947-Q951 WeakPolarHBondContact O-CB 3.47Å; D947-Q951 VanDerWaalsContact O-CG 3.29Å; D947-Q951 WeakPolarHBondContact O-CG 3.37Å; D947-Q951 PolarHBondContact O-N 2.9Å
948K78.8Confident69.1Low147 Ų147121.9 Ų121.964%0.63961%0.611SS**Hα-helixtrans-62.5-45.4170.4-170171.9-175.3174.90111.5D944 R950 Q951 E952D944-K948 WeakPolarHBondContact O-CB 3.42Å; D944-K948 PolarHBondContact O-N 2.88Å; K948-R950 VanDerWaalsContact C-N 3.33Å; K948-R950 PolarHBondContact O-N 3.16Å; K948-Q951 PolarHBondContact O-N 3.44Å; K948-E952 WeakPolarHBondContact O-CB 3.48Å; K948-E952 PolarHBondContact O-N 3.06Å
949Q79.9Confident71.2Confident140 Ų140119.8 Ų119.865%0.65460%0.6SS**Hα-helixtrans-61.9-39.2173.1-173.9178.1-0.100111.8A945 S946 E952 A953A945-Q949 WeakPolarHBondContact O-CB 3.27Å; A945-Q949 PolarHBondContact O-N 3.46Å; S946-Q949 PolarHBondContact O-N 2.94Å; Q949-E952 PolarHBondContact O-N 3.18Å; Q949-A953 WeakPolarHBondContact O-CB 3.28Å; Q949-A953 PolarHBondContact O-N 3.14Å
950R79.9Confident73.1Confident143 Ų143111.3 Ų111.354%0.5458%0.58SS.*Hα-helixtrans-68.4-38.4177.7-165.3-179.1-170.5-160.66.8113S946 D947 K948 R954S946-R950 VanDerWaalsContact O-CB 3.29Å; S946-R950 WeakPolarHBondContact O-CB 3.48Å; S946-R950 PolarHBondContact O-N 3.5Å; D947-R950 PolarHBondContact O-N 3.07Å; D947-R950 IonicContact OD1-NH1 3.74Å; K948-R950 VanDerWaalsContact C-N 3.33Å; K948-R950 PolarHBondContact O-N 3.16Å; R950-R954 WeakPolarHBondContact O-CG 3.4Å; R950-R954 PolarHBondContact O-N 2.88Å; R950-R954 VanDerWaalsContact O-N 3.1Å
951Q81.8Confident74.9Confident128 Ų128111.8 Ų111.860%0.59857%0.574SS**Hα-helixtrans-68.8-40.4172.4-72.818033.700111.4D947 K948 R954 K955D947-Q951 WeakPolarHBondContact O-CB 3.47Å; D947-Q951 VanDerWaalsContact O-CG 3.29Å; D947-Q951 WeakPolarHBondContact O-CG 3.37Å; D947-Q951 PolarHBondContact O-N 2.9Å; K948-Q951 PolarHBondContact O-N 3.44Å; Q951-R954 WeakPolarHBondContact O-CB 3.39Å; Q951-R954 PolarHBondContact O-N 3.49Å; Q951-K955 PolarHBondContact O-N 3.18Å
952E83.4Confident76.1Confident89 Ų89111.8 Ų111.842%0.41657%0.569SS.*Hα-helixtrans-66.6-40.2176.7-159.7-167.2-162.300111.7K948 Q949 R954 K955 R956K948-E952 WeakPolarHBondContact O-CB 3.48Å; K948-E952 PolarHBondContact O-N 3.06Å; Q949-E952 PolarHBondContact O-N 3.18Å; E952-R954 PolarHBondContact O-N 2.66Å; E952-K955 WeakPolarHBondContact O-CB 3.45Å; E952-K955 PolarHBondContact O-N 3.26Å; E952-R956 VanDerWaalsContact CD-CZ 3.44Å; E952-R956 PolarHBondContact O-N 3.45Å; E952-R956 IonicContact OE1-CZ 3.4Å; E952-R956 IonicContact OE1-NH1 3.4Å; E952-R956 PolarHBondContact OE1-NH1 3.24Å; E952-R956 IonicContact OE1-NH2 2.77Å; E952-R956 PolarHBondContact OE1-NH2 2.8Å; E952-R956 IonicContact OE2-CZ 3.49Å; E952-R956 IonicContact OE2-NH1 2.7Å; E952-R956 PolarHBondContact OE2-NH1 2.78Å; E952-R956 IonicContact OE2-NH2 3.42Å; E952-R956 PolarHBondContact OE2-NH2 3.47Å
953A83.9Confident77.1Confident54 Ų54110.7 Ų110.745%0.44656%0.56SS.*Hα-helixtrans-59.8-44171.600000112.1Q949 K955 R956 L957Q949-A953 WeakPolarHBondContact O-CB 3.28Å; Q949-A953 PolarHBondContact O-N 3.14Å; A953-K955 VanDerWaalsContact C-N 3.34Å; A953-K955 PolarHBondContact O-N 3.41Å; A953-R956 PolarHBondContact O-N 2.78Å; A953-L957 WeakPolarHBondContact O-CB 3.37Å; A953-L957 PolarHBondContact O-N 3.2Å
954R85.4Confident77.8Confident149 Ų149109.6 Ų109.656%0.56256%0.556SS**Hα-helixtrans-60.9-39.9172.7-75.1170.1170.2-178.5-4.3112.2R950 Q951 E952 L957 L958R950-R954 WeakPolarHBondContact O-CG 3.4Å; R950-R954 PolarHBondContact O-N 2.88Å; R950-R954 VanDerWaalsContact O-N 3.1Å; Q951-R954 WeakPolarHBondContact O-CB 3.39Å; Q951-R954 PolarHBondContact O-N 3.49Å; E952-R954 PolarHBondContact O-N 2.66Å; R954-L957 PolarHBondContact O-N 3.49Å; R954-L958 WeakPolarHBondContact O-CG 3.34Å; R954-L958 PolarHBondContact O-N 2.91Å
955K89.5Confident78.4Confident160 Ų160106.7 Ų106.770%0.69655%0.545SS*.Hα-helixtrans-66.9-42.5175.9-169.4179.1179.5-177.10112Q951 E952 A953 L958 A959Q951-K955 PolarHBondContact O-N 3.18Å; E952-K955 WeakPolarHBondContact O-CB 3.45Å; E952-K955 PolarHBondContact O-N 3.26Å; A953-K955 VanDerWaalsContact C-N 3.34Å; A953-K955 PolarHBondContact O-N 3.41Å; K955-L958 PolarHBondContact O-N 2.71Å; K955-A959 WeakPolarHBondContact O-CB 3.39Å; K955-A959 PolarHBondContact O-N 3.43Å
956R87.9Confident78.7Confident152 Ų152108.3 Ų108.357%0.57455%0.548SS*.Hα-helixtrans-61-44.1173.1-75-169.5177.990.714.1111.5E952 A953 L958 A959 A960E952-R956 VanDerWaalsContact CD-CZ 3.44Å; E952-R956 PolarHBondContact O-N 3.45Å; E952-R956 IonicContact OE1-CZ 3.4Å; E952-R956 IonicContact OE1-NH1 3.4Å; E952-R956 PolarHBondContact OE1-NH1 3.24Å; E952-R956 IonicContact OE1-NH2 2.77Å; E952-R956 PolarHBondContact OE1-NH2 2.8Å; E952-R956 IonicContact OE2-CZ 3.49Å; E952-R956 IonicContact OE2-NH1 2.7Å; E952-R956 PolarHBondContact OE2-NH1 2.78Å; E952-R956 IonicContact OE2-NH2 3.42Å; E952-R956 PolarHBondContact OE2-NH2 3.47Å; A953-R956 PolarHBondContact O-N 2.78Å; R956-L958 PolarHBondContact O-N 2.77Å; R956-A959 PolarHBondContact O-N 3.46Å; R956-A960 WeakPolarHBondContact O-CB 3.46Å; R956-A960 PolarHBondContact O-N 2.76Å
957L88Confident78.6Confident127 Ų127114.7 Ų114.767%0.66556%0.562SS**Hα-helixtrans-62.1-42.8177.6-176.862.7000112.3A953 R954 A960 K961A953-L957 WeakPolarHBondContact O-CB 3.37Å; A953-L957 PolarHBondContact O-N 3.2Å; R954-L957 PolarHBondContact O-N 3.49Å; L957-A960 PolarHBondContact O-N 2.82Å; L957-K961 WeakPolarHBondContact O-CB 3.31Å; L957-K961 PolarHBondContact O-N 3.47Å
958L83.3Confident78Confident115 Ų115118.7 Ų118.760%0.60258%0.579SS**Hα-helixtrans-66.5-36.1175.5-73.6167.6000112.7R954 K955 R956 R962R954-L958 WeakPolarHBondContact O-CG 3.34Å; R954-L958 PolarHBondContact O-N 2.91Å; K955-L958 PolarHBondContact O-N 2.71Å; R956-L958 PolarHBondContact O-N 2.77Å; L958-R962 PolarHBondContact O-N 2.96Å
959A83.5Confident76.8Confident58 Ų58116.9 Ų116.948%0.47958%0.576SS.*Hα-helixtrans-67.4-45.5173.600000111.8K955 R956 K961 R962 A963K955-A959 WeakPolarHBondContact O-CB 3.39Å; K955-A959 PolarHBondContact O-N 3.43Å; R956-A959 PolarHBondContact O-N 3.46Å; A959-K961 PolarHBondContact O-N 2.83Å; A959-R962 PolarHBondContact O-N 3.15Å; A959-A963 PolarHBondContact O-N 2.91Å
960A82.6Confident75.5Confident56 Ų56113.6 Ų113.646%0.46357%0.568SS.*Hα-helixtrans-61-41.5175.600000112R956 L957 R962 A963 A964R956-A960 WeakPolarHBondContact O-CB 3.46Å; R956-A960 PolarHBondContact O-N 2.76Å; L957-A960 PolarHBondContact O-N 2.82Å; A960-R962 VanDerWaalsContact C-N 3.33Å; A960-R962 PolarHBondContact O-N 3.44Å; A960-A963 PolarHBondContact O-N 3.39Å; A960-A964 WeakPolarHBondContact O-CB 3.45Å; A960-A964 PolarHBondContact O-N 3.49Å
961K83.4Confident74.1Confident161 Ų161110.3 Ų110.370%0.757%0.572SS**Hα-helixtrans-62.7-36.3175.9-170.5168.9-178.1173.50112.5L957 A959 S965L957-K961 WeakPolarHBondContact O-CB 3.31Å; L957-K961 PolarHBondContact O-N 3.47Å; A959-K961 PolarHBondContact O-N 2.83Å; K961-S965 WeakPolarHBondContact O-CB 3.18Å; K961-S965 PolarHBondContact O-N 3.47Å; K961-S965 VanDerWaalsContact O-N 3.15Å
962R78Confident72.6Confident194 Ų194109.7 Ų109.773%0.73258%0.577SS**Hα-helixtrans-66.8-46.5169.8-79-169.5175.2124.2-3.5112.2L958 A959 A960 A964 S965 V966L958-R962 PolarHBondContact O-N 2.96Å; A959-R962 PolarHBondContact O-N 3.15Å; A960-R962 VanDerWaalsContact C-N 3.33Å; A960-R962 PolarHBondContact O-N 3.44Å; R962-A964 VanDerWaalsContact C-N 3.32Å; R962-A964 PolarHBondContact O-N 3.19Å; R962-S965 PolarHBondContact O-N 3.25Å; R962-V966 WeakPolarHBondContact O-CG2 3.42Å; R962-V966 PolarHBondContact O-N 3.18Å
963A70.9Confident71.1Confident53 Ų53113.2 Ų113.244%0.43859%0.594SS.*Hα-helixtrans-61.5-38.5-179.800000112.7A959 A960 R967A959-A963 PolarHBondContact O-N 2.91Å; A960-A963 PolarHBondContact O-N 3.39Å; A963-R967 WeakPolarHBondContact O-CG 3.38Å; A963-R967 PolarHBondContact O-N 3.45Å
964A67.3Low69.5Low56 Ų56115.4 Ų115.446%0.46361%0.606SS.*Hα-helixtrans-65.8-43.4173.200000112.2A960 R962 V966 R967 Q968A960-A964 WeakPolarHBondContact O-CB 3.45Å; A960-A964 PolarHBondContact O-N 3.49Å; R962-A964 VanDerWaalsContact C-N 3.32Å; R962-A964 PolarHBondContact O-N 3.19Å; A964-V966 VanDerWaalsContact C-N 3.34Å; A964-V966 PolarHBondContact O-N 2.88Å; A964-R967 PolarHBondContact O-N 2.98Å; A964-R967 VanDerWaalsContact O-N 3.17Å; A964-Q968 PolarHBondContact O-N 3.23Å; A964-Q968 VanDerWaalsContact O-N 3.12Å
965S66.3Low67.9Low62 Ų62112 Ų11243%0.43461%0.61SS.*Hα-helixtrans-62.5-38.6176.7-175.50000112.6K961 R962 R967 Q968 N969K961-S965 WeakPolarHBondContact O-CB 3.18Å; K961-S965 PolarHBondContact O-N 3.47Å; K961-S965 VanDerWaalsContact O-N 3.15Å; R962-S965 PolarHBondContact O-N 3.25Å; S965-R967 VanDerWaalsContact C-N 3.33Å; S965-R967 PolarHBondContact O-N 3.16Å; S965-Q968 PolarHBondContact O-N 2.92Å; S965-N969 PolarHBondContact O-N 3Å; S965-N969 VanDerWaalsContact O-N 3.13Å; S965-N969 PolarHBondContact O-OD1 3.27Å
966V65.7Low66.1Low98 Ų98110.2 Ų110.259%0.59461%0.608SS**Hα-helixtrans-62.7-41.1174.3171.50000111R962 A964 Q968 N969 S970R962-V966 WeakPolarHBondContact O-CG2 3.42Å; R962-V966 PolarHBondContact O-N 3.18Å; A964-V966 VanDerWaalsContact C-N 3.34Å; A964-V966 PolarHBondContact O-N 2.88Å; V966-Q968 VanDerWaalsContact C-N 3.33Å; V966-Q968 PolarHBondContact O-N 3.24Å; V966-N969 PolarHBondContact O-N 3.27Å; V966-S970 PolarHBondContact O-N 3.27Å; V966-S970 PolarHBondContact O-OG 3.16Å
967R61.8Low64Low200 Ų200107.7 Ų107.776%0.75561%0.613SS**Hα-helixtrans-67.3-27.8178.3-72.5-178.8-179.8-143.2-1.3114.1A963 A964 S965 S970A963-R967 WeakPolarHBondContact O-CG 3.38Å; A963-R967 PolarHBondContact O-N 3.45Å; A964-R967 PolarHBondContact O-N 2.98Å; A964-R967 VanDerWaalsContact O-N 3.17Å; S965-R967 VanDerWaalsContact C-N 3.33Å; S965-R967 PolarHBondContact O-N 3.16Å; R967-S970 WeakPolarHBondContact CA-OG 3.47Å; R967-S970 PolarHBondContact O-OG 2.98Å; R967-S970 VanDerWaalsContact O-OG 3.12Å
968Q56.4Low62.3Low151 Ų151108.6 Ų108.671%0.70662%0.617SS**Hα-helixtrans-75.1-43.3171.1-72.4-164.8-71.900111.8A964 S965 V966 S970 A971A964-Q968 PolarHBondContact O-N 3.23Å; A964-Q968 VanDerWaalsContact O-N 3.12Å; S965-Q968 PolarHBondContact O-N 2.92Å; V966-Q968 VanDerWaalsContact C-N 3.33Å; V966-Q968 PolarHBondContact O-N 3.24Å; Q968-S970 VanDerWaalsContact C-N 3.33Å; Q968-S970 PolarHBondContact O-N 3.43Å; Q968-A971 WeakPolarHBondContact O-CB 3.12Å; Q968-A971 PolarHBondContact O-N 3.49Å
969N53.1Low60.8Low108 Ų108112.5 Ų112.558%0.57863%0.632SS**Hα-helixtrans-64.8-35.1-180-72.726.5000112.8S965 V966 A971 T972S965-N969 PolarHBondContact O-N 3Å; S965-N969 VanDerWaalsContact O-N 3.13Å; S965-N969 PolarHBondContact O-OD1 3.27Å; V966-N969 PolarHBondContact O-N 3.27Å; N969-A971 PolarHBondContact O-N 3.47Å; N969-T972 PolarHBondContact O-N 3.05Å; N969-T972 PolarHBondContact O-OG1 3.19Å
970S52.6Low59.1Low71 Ų71116.8 Ų116.850%0.49765%0.646SS.*THydrogen-bonded Turntrans-67.9-14.917754.80000114.3V966 R967 Q968 T972V966-S970 PolarHBondContact O-N 3.27Å; V966-S970 PolarHBondContact O-OG 3.16Å; R967-S970 WeakPolarHBondContact CA-OG 3.47Å; R967-S970 PolarHBondContact O-OG 2.98Å; R967-S970 VanDerWaalsContact O-OG 3.12Å; Q968-S970 VanDerWaalsContact C-N 3.33Å; Q968-S970 PolarHBondContact O-N 3.43Å; S970-T972 VanDerWaalsContact C-N 3.33Å
971A50.8Low57Low75 Ų75123.7 Ų123.762%0.6266%0.661SS**THydrogen-bonded Turntrans-83.4-6.5178.700000113.7Q968 N969Q968-A971 WeakPolarHBondContact O-CB 3.12Å; Q968-A971 PolarHBondContact O-N 3.49Å; N969-A971 PolarHBondContact O-N 3.47Å
972T52Low55.2Low115 Ų115121.7 Ų121.771%0.70666%0.662SS**SBendtrans-111.2-1.2-176.548.60000114.7N969 S970N969-T972 PolarHBondContact O-N 3.05Å; N969-T972 PolarHBondContact O-OG1 3.19Å; S970-T972 VanDerWaalsContact C-N 3.33Å
973E51.4Low53.7Low162 Ų162117 Ų11776%0.75766%0.657SS**SBendtrans-96.1-28.4-174.2-166.3167.5-179.300113.2A975E973-A975 VanDerWaalsContact C-N 3.26Å; E973-A975 PolarHBondContact O-N 3.42Å; E973-A975 VanDerWaalsContact O-N 3.16Å
974S50Low52.3Low101 Ų101123.3 Ų123.371%0.70668%0.677SS**THydrogen-bonded Turntrans-84.321.8-173.865.20000115.4
975A52.1Low51Low78 Ų78125.1 Ų125.165%0.64569%0.692SS**THydrogen-bonded Turntrans-115.5-13.7-173.700000114.6E973 S977E973-A975 VanDerWaalsContact C-N 3.26Å; E973-A975 PolarHBondContact O-N 3.42Å; E973-A975 VanDerWaalsContact O-N 3.16Å; A975-S977 PolarHBondContact O-N 3.02Å
976D50.4Low49.8Very low122 Ų122129.8 Ų129.865%0.65271%0.707SS**SBendtrans-87.625.9-174.4-114.9-22.1000112.7R140R140-D976 IonicContact CZ-OD2 2.8Å; R140-D976 VanDerWaalsContact CZ-OD2 3.29Å; R140-D976 IonicContact NH1-OD1 2.68Å; R140-D976 IonicContact NH1-OD2 2.71Å; R140-D976 PolarHBondContact NH1-OD2 3.37Å; R140-D976 IonicContact NH2-OD2 3.92Å; R140-D976 PolarHBondContact NH2-OD2 3.5Å
977S45.7Very low48.9Very low98 Ų98132 Ų13269%0.68572%0.721SS**  trans-137.377.5-174.964.50000113.4A975A975-S977 PolarHBondContact O-N 3.02Å
978I51.8Low48.3Very low146 Ų146132.4 Ų132.475%0.74972%0.723SS**  trans-130.9111165.7-58.8178.5000107.6I980I978-I980 PolarHBondContact O-N 3.37Å
979E51.2Low47.4Very low198 Ų198137.4 Ų137.493%0.92575%0.753SS**  trans-79118174.8-64.1-175.8147.400109.6Y981E979-Y981 PolarHBondContact O-N 3.26Å
980I47.7Very low47.1Very low148 Ų148138.9 Ų138.976%0.75976%0.761SS**  trans-91.8102178.1-58.7179.3000108.8I978I978-I980 PolarHBondContact O-N 3.37Å
981Y38.7Very low46.8Very low201 Ų201142.4 Ų142.479%0.78878%0.775SS**  trans-70.8124.7170.3-176.8-93.3000110.2E979 P983E979-Y981 PolarHBondContact O-N 3.26Å; Y981-P983 HydrophobicContact CD1-CG 4.34Å; Y981-P983 HydrophobicContact CE1-CG 4.34Å
982V44.6Very low46.6Very low119 Ų119146.2 Ų146.272%0.72178%0.784SS**  trans-103.4115.3176.4179.80000108.7
983P47.5Very low46.3Very low95 Ų95148 Ų14862%0.61779%0.789SS**  trans-67.1132.6174.2-19.833.1000111.5Y981 A985Y981-P983 HydrophobicContact CD1-CG 4.34Å; Y981-P983 HydrophobicContact CE1-CG 4.34Å; P983-A985 PolarHBondContact O-N 2.71Å
984E41.7Very low45.9Very low185 Ų185147.1 Ų147.186%0.86479%0.791SS**  trans-71.5108.7176-173.8176.3-173.500110.4Q986E984-Q986 PolarHBondContact O-N 3.14Å
985A40.2Very low45.7Very low94 Ų94150.2 Ų150.278%0.77780%0.796SS**  trans-78100.4178.700000110.5P983 T987P983-A985 PolarHBondContact O-N 2.71Å; A985-T987 PolarHBondContact O-N 3.34Å; A985-T987 VanDerWaalsContact O-N 3.16Å
986Q39.7Very low45.2Very low161 Ų161155.4 Ų155.475%0.75281%0.807SS**  trans-61.8113176.6-67.1178.4-32.800111.3E984 R988E984-Q986 PolarHBondContact O-N 3.14Å; Q986-R988 PolarHBondContact O-N 2.68Å
987T46.8Very low44.8Very low144 Ų144157.9 Ų157.988%0.88382%0.819SS**  trans-70.1111159.538.90000108.8A985A985-T987 PolarHBondContact O-N 3.34Å; A985-T987 VanDerWaalsContact O-N 3.16Å
988R49.6Very low44.7Very low209 Ų209162.9 Ų162.979%0.78983%0.83SS**  trans-125.2126.5171.7-93.3-169.1166.9-141.1-3109.9Q986Q986-R988 PolarHBondContact O-N 2.68Å
989L37.3Very low44.1Very low255 Ų255164.5 Ų164.5100%1.33584%0.837SS**  trans690175.9-57.7167.6000113.2

Retrieved 989 of 989 residues in 748.8 ms (Link to these results)