A0A087WRN1_MOUSE Loading...

BCL2-associated transcription factor 1

AlphaFold DB , UniProt , Accession A0A087WRN1, Species MOUSE (Mus musculus, Mouse), Gene Bclaf1, Length 583 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
1N33.8Very low40.3Very low216 Ų216169.2 Ų169.2100%1.15587%0.865SS**  0139.90-61.6-1.1000109
2S40.8Very low39.9Very low120 Ų120164.2 Ų164.284%0.83986%0.857SS**  trans-83.2159.4-158.4-38.30000114.9
3P45.4Very low40.5Very low120 Ų120161.6 Ų161.678%0.77986%0.856SS**  trans-127.6104.4143.733.4-20.1000112.9
4I41.8Very low39.9Very low154 Ų154156.8 Ų156.879%0.7985%0.851SS**  42.1123.7125.6-60.5166.7000118.7
5H39.1Very low39.8Very low184 Ų184159.9 Ų159.985%0.85285%0.853SS**  trans-66.2151.3167.3-67.8-94.8000113.2
6H42.4Very low39.3Very low183 Ų183158.9 Ų158.985%0.84786%0.855SS**  trans-139.1143155.7-119.3-86.2000111.9
7I41.9Very low39.1Very low148 Ų148158.6 Ų158.676%0.75985%0.851SS**  trans-105.3130.2-176.7-59166.9000109.4
8P43.9Very low38.7Very low121 Ų121156.9 Ų156.979%0.78685%0.847SS**PPolyproline II helixtrans-83.5130.5165.832.1-30.3000110.9
9S33.3Very low39Very low121 Ų121155.1 Ų155.185%0.84684%0.844SS**PPolyproline II helixtrans-95.8165.2-177.9-166.80000113.3
10R42.5Very low38.6Very low239 Ų239156.8 Ų156.890%0.90285%0.846SS**PPolyproline II helixtrans-68.8142.4-178-63.7169.9168.8-1200.2112.5
11R38.5Very low38.2Very low255 Ų255157.3 Ų157.396%0.96285%0.849SS**  trans-146151.9150.9-101-173.7-178.8-148-1.5111.5
12S35.6Very low38.3Very low109 Ų109151.2 Ų151.276%0.76283%0.829SS**  trans-104.8155.3-178.8430000112
13P47.2Very low38.8Very low131 Ų131151.1 Ų151.185%0.85183%0.825SS**  trans-85.1153.8174.434.8-34.4000112.2
14A32Very low38Very low94 Ų94155.5 Ų155.578%0.77783%0.826SS**  trans-143.8133.1173.900000112.5
15K39Very low37.4Very low204 Ų204154.5 Ų154.589%0.88782%0.818SS**  trans25.6116.8156.1-58.6-176.4-179.9-177.20119.3
16T32.1Very low37.2Very low144 Ų144153.1 Ų153.188%0.88381%0.812SS**  trans-89.1140.3164.6-49.30000111.3
17I35.8Very low36.7Very low154 Ų154148.3 Ų148.379%0.7980%0.799SS**  trans-134.5147.3167.6-65.7-178.5000108.8
18T31.8Very low36.3Very low128 Ų128151.8 Ų151.879%0.78580%0.802SS**PPolyproline II helixtrans-76.3147.6-177.544.10000114
19P44.1Very low35.7Very low121 Ų121149.7 Ų149.779%0.78680%0.802SS**PPolyproline II helixtrans-86.6139.6171.134.1-32.5000112.7
20Q32Very low35.8Very low189 Ų189155.7 Ų155.788%0.88381%0.807SS**PPolyproline II helixtrans-101.1149.6152.8-74.6-173.8-72.600109.1
21N30Very low35.1Very low168 Ų168149.8 Ų149.890%0.89880%0.802SS**  trans-150.1141.8155.6-95.9-47.6000110.4
22A35.2Very low35.1Very low89 Ų89142.1 Ų142.174%0.73679%0.787SS**  trans-124.4-162.1168.700000106.5
23P50.6Low34.8Very low117 Ų117146.4 Ų146.476%0.7679%0.793SS**  cis-142.2-153.514.944.3-22.7000114.9
24R29.9Very low34.1Very low213 Ų213149.9 Ų149.980%0.80479%0.79SS**  trans78.7137.2167.6-92.9-177.4117.5134.6-1.4116.2
25E29.1Very low35Very low133 Ų133151.4 Ų151.462%0.62179%0.792SS**  cis-147.4160.918.6-109.2179.7178.700116.5
26E34Very low34.6Very low155 Ų155151 Ų15172%0.72479%0.793SS**  trans39.9111.5143.8-69.3-147.317200126.2
27S32.7Very low34.5Very low82 Ų82147.6 Ų147.657%0.57379%0.787SS**  131.7150.6100.172.80000120.3
28R33.9Very low34.3Very low221 Ų221146.7 Ų146.783%0.83478%0.784SS**  trans65.8108.5154.5-67.3164-174.5100.5-3.3121.4
29G30.9Very low34.4Very low76 Ų76147.9 Ų147.978%0.78478%0.78SS**  116.6122.5101.600000120.5
30R34.4Very low33.9Very low248 Ų248150 Ų15094%0.93678%0.78SS**  trans18.7135.5151-72.1-179.5165.2-154.6-2.5119.1
31S29.4Very low34Very low114 Ų114147.6 Ų147.680%0.79778%0.778SS**  -171.2165.959-164.80000112.8
32S37.3Very low34.4Very low95 Ų95143.7 Ų143.766%0.66477%0.77SS**  trans-95.3151.4169.7-179.40000111.7
33F29.6Very low34.6Very low199 Ų199148.4 Ų148.487%0.87377%0.773SS**  trans-156137.8148-109.9-75.9000110.6
34Y33Very low33.7Very low204 Ų204149.9 Ų149.980%0.878%0.78SS**  trans-126.2160.6165.9-114.3-82.6000107.2
35P49.4Very low33.8Very low125 Ų125142.6 Ų142.681%0.81277%0.771SS**  -138.8175.8118.337.6-25.9000114.7
36E30.8Very low34.6Very low196 Ų196146.6 Ų146.692%0.91679%0.787SS**  trans-105.5164.6-171.5175.1176.2-131.200111.5
37G30.7Very low34.7Very low73 Ų73148.9 Ų148.975%0.75380%0.795SS**  trans172.369.4178.400000118.7
38D31.5Very low34.8Very low135 Ų135152.6 Ų152.672%0.72281%0.807SS**  trans45.8115.2148.9-80.8-22.2000125.8
39Q33.6Very low35.2Very low152 Ų152150.7 Ų150.771%0.7181%0.805SS**  73.5128.5116.5-71.3-178.466.700125.5
40E33.8Very low35.5Very low166 Ų166157.1 Ų157.178%0.77681%0.806SS**  trans51125.4149-53-155.4143.300120.9
41T34.1Very low35.4Very low138 Ų138155.4 Ų155.485%0.84781%0.805SS**  -155164.156.935.20000113.8
42A37.6Very low35.7Very low87 Ų87156.4 Ų156.472%0.71981%0.807SS**  trans-81.8148.3-164.400000117.1
43K40.7Very low35.6Very low188 Ų188158.7 Ų158.782%0.81781%0.812SS**  176.1135.8113.8-91.3149.7-168.1169.30114.4
44T31.7Very low36Very low147 Ų147156.9 Ų156.990%0.90281%0.806SS**  trans58.9150.7157.853.20000119.2
45G31.9Very low36.3Very low60 Ų60155.6 Ų155.662%0.61981%0.807SS**  cis161.182.6-3.200000111.7
46K45.7Very low35.4Very low218 Ų218154.1 Ų154.195%0.94880%0.8SS**  trans-62.6141-173.4-56.3169.9-175.61740112.6
47F36.4Very low35.6Very low203 Ų203155.3 Ų155.389%0.8980%0.796SS**  trans-135.5134.6159.852.1-95.1000113.4
48L35.3Very low35.9Very low159 Ų159158.4 Ų158.483%0.83280%0.8SS**  trans-145.6106.1176.6172.267.4000108.9
49K42.4Very low36Very low182 Ų182161 Ų16179%0.79181%0.805SS**  trans-159.3120.4166.3-105.5160.6177.1179.30106.3
50R37.1Very low36.2Very low210 Ų210161.3 Ų161.379%0.79281%0.811SS**  67.710860-67.2-161.5-75.9155.8-9.8112.4
51F31.3Very low36.3Very low212 Ų212161.9 Ų161.993%0.9382%0.818SS**  trans-75.1159167.5-68.2-96.2000111.6
52T35.4Very low36Very low135 Ų135162.1 Ų162.183%0.82881%0.814SS**  trans-148.5159.1161.147.50000108.6
53D36.3Very low35.9Very low144 Ų144169.8 Ų169.877%0.7783%0.825SS**  trans-89.9-153.3-168.4-84.5-70.9000114.4
54E36.8Very low35.3Very low160 Ų160164.1 Ų164.175%0.74882%0.82SS**  trans89.282.8167.4-76.867.6-116.400119.9
55E40.2Very low35.3Very low177 Ų177164 Ų16483%0.82781%0.814SS**  54.5152.9122-61.6-162.9151.500124.3
56S30.8Very low35.3Very low94 Ų94167.9 Ų167.966%0.65782%0.819SS**  trans80.4106.5151.378.90000120.9
57R35.2Very low34.5Very low222 Ų222166.6 Ų166.684%0.83881%0.808SS**  -168150.4125.5-112.1151.5-78.9-171.5-6.8112.4
58V36.3Very low34.2Very low137 Ų137162.6 Ų162.683%0.8380%0.795SS**  trans-131.2141.4-178.2-1640000108.4
59F33Very low34.2Very low189 Ų189164.9 Ų164.983%0.82980%0.799SS**  trans-141.2142.6171.3-89.7-76.7000112.8
60L37.6Very low33.5Very low160 Ų160165.2 Ų165.284%0.83880%0.803SS**  trans-85.4160.6169.5-68.3103.7000111.1
61L36.3Very low33.3Very low178 Ų178159.5 Ų159.593%0.93280%0.801SS**  trans-150.1136.6142.6-112166.3000110.3
62D28.3Very low33.5Very low142 Ų142155.1 Ų155.176%0.75979%0.794SS**  trans-127.9126.6179167.537.9000109.9
63R35Very low33.3Very low249 Ų249157.6 Ų157.694%0.9479%0.793SS**  trans-172.7155.3156.4-124.7172.1171.7162.6-2.8110.2
64G28.9Very low32.9Very low69 Ų69157.7 Ų157.771%0.71179%0.789SS**  trans-162.9-165.3176.900000115.1
65N30.6Very low32.6Very low145 Ų145158.7 Ų158.778%0.77579%0.791SS**  trans69.8134.5175.9-164.317.4000117
66I31.8Very low32Very low141 Ų141153.8 Ų153.872%0.72379%0.788SS**  trans158.8101.4130.1-80.2163.7000112
67R29.6Very low31.8Very low190 Ų190154.4 Ų154.472%0.71779%0.792SS**  62.5134127.2-64.4179.560-150.5-11.3124.6
68D30.3Very low31.5Very low119 Ų119150.8 Ų150.864%0.63678%0.784SS**  trans51.4125.3132.2-40-18.2000122.5
69K34.9Very low31.2Very low207 Ų207153.3 Ų153.390%0.978%0.784SS**  -166.9155.8124.1-97.5-79177.6175.50110.4
70E28.5Very low31Very low190 Ų190147.6 Ų147.689%0.88878%0.778SS**  trans-104.5175-165.8-59.4169.5107.700114
71A32.2Very low30.7Very low89 Ų89150.8 Ų150.874%0.73678%0.779SS**  trans-138.813617000000112.5
72P34.7Very low30.3Very low121 Ų121144.6 Ų144.679%0.78675%0.753SS**  trans-87.3132.8157.933.8-28.5000109.6
73K31.3Very low30.4Very low187 Ų187141.4 Ų141.481%0.81374%0.737SS**  81.3105.857.5-80.7-164176.41800115.5
74E28.5Very low30.1Very low145 Ų145132 Ų13268%0.67872%0.717SS**  -169.3160.5123.6-90.4-33.670.400106.8
75K30.8Very low30.4Very low182 Ų182134.7 Ų134.779%0.79172%0.715SS**  cis111.214914.2-90.2-133.6-156.6177.70114.2
76G26.8Very low30.4Very low74 Ų74137.7 Ų137.776%0.76372%0.716SS**  trans80.5144.1177.500000113.4
77S28.2Very low30.3Very low107 Ų107136.3 Ų136.375%0.74871%0.71SS**  cis-155.1151.5-12.148.40000111.8
78E27.5Very low30.2Very low145 Ų145135.2 Ų135.268%0.67872%0.719SS**  trans46.4121144.5-62.6-166.5114.900122.6
79K30.9Very low30.1Very low191 Ų191136.6 Ų136.683%0.8372%0.721SS**  80.4140.2104-70.7175.8175.2160.30114.3
80G29Very low30.1Very low68 Ų68134.4 Ų134.470%0.70171%0.714SS**  cis-150.4165.8-11.600000107.3
81R29.8Very low30.3Very low228 Ų228132.4 Ų132.486%0.8671%0.714SS**  cis56.7123.143.9-68.4-154.4-170.6-164.67.4113.5
82A29.3Very low30.1Very low47 Ų47135.2 Ų135.239%0.38872%0.716SS.*  cis-159.9156.3-3.200000112.5G424A82-G424 WeakPolarHBondContact CB-O 3.4Å
83D30.2Very low29.8Very low76 Ų76136 Ų13641%0.40671%0.714SS.*  trans31.2168131.6-58.6-126.9000120.7K423 G424 S425 R426D83-K423 WeakPolarHBondContact OD1-CA 3.49Å; D83-K423 PolarHBondContact OD1-N 3.01Å; D83-G424 VanDerWaalsContact CB-C 3.41Å; D83-G424 PolarHBondContact OD1-N 2.96Å; D83-S425 VanDerWaalsContact C-CA 3.49Å; D83-S425 WeakPolarHBondContact O-CA 3.19Å; D83-R426 PolarHBondContact O-N 3.34Å
84G28Very low29.8Very low52 Ų52134 Ų13454%0.53670%0.702SS.*  cis147.2-152.27.900000109.8S425G84-S425 VanDerWaalsContact C-CB 3.4Å; G84-S425 PolarHBondContact N-OG 3.43Å; G84-S425 WeakPolarHBondContact O-CB 3.41Å; G84-S425 PolarHBondContact O-OG 2.73Å
85D35.9Very low29.9Very low125 Ų125135.1 Ų135.167%0.66871%0.705SS**  trans41.8161.9154.7-137.8-0.4000123.4
86W29.6Very low30.2Very low207 Ų207131.2 Ų131.278%0.78470%0.701SS**  trans74.1148.8-170.4-48109.3000115
87D29.7Very low30.5Very low113 Ų113132.2 Ų132.260%0.60469%0.689SS**  cis174.8152.5-31.7-143.1-43.6000102.6
88D28.4Very low31.1Very low167 Ų167134.9 Ų134.989%0.89369%0.687SS**  trans-177.2124.6144-106.9-21.5000110.4
89Q27.1Very low31.3Very low148 Ų148135.6 Ų135.669%0.69269%0.69SS**  trans-102.3130.9-178.7-171.689.426.200110.1
90E36.8Very low31.4Very low161 Ų161131.3 Ų131.375%0.75268%0.684SS**  trans39.1101154.8-66.1171.7-143.600120.9
91V30.6Very low31.4Very low147 Ų147131.8 Ų131.889%0.89168%0.681SS**  trans-162.4145.4143.9164.60000106.9
92L29.7Very low31.9Very low149 Ų149130.7 Ų130.778%0.7868%0.683SS**  cis-172.7153.7-28.8-174.776.8000106.3
93D27.8Very low32Very low138 Ų138137.7 Ų137.774%0.73871%0.708SS**  trans75.5127.1153.4-117.2-2.7000123.5
94Y30.6Very low32.2Very low143 Ų143143.1 Ų143.156%0.56173%0.728SS**  trans45.8131.6141.6-121.9-146.3000121.7
95F31.5Very low32.1Very low169 Ų169150.7 Ų150.774%0.74175%0.746SS**  cis-139.1164.132.9-93.7-98.1000110.8
96S37.7Very low32Very low100 Ų100152.9 Ų152.970%0.69975%0.752SS**  cis-140.7134.311.3-70.60000112.9
97D32.8Very low32.2Very low96 Ų96150.8 Ų150.851%0.51376%0.756SS.*  trans37.7128.6132.9-126.827.7000123.5
98K40.2Very low32.5Very low163 Ų163151 Ų15171%0.70977%0.766SS**  trans72.4150.9154.9-66.2-174.9177.787.60119.7
99E31.4Very low32.9Very low160 Ų160152 Ų15275%0.74877%0.766SS**  cis176.9140.4-14.4-177.7175178.900106.5
100S32.3Very low33.1Very low100 Ų100148.5 Ų148.570%0.69977%0.77SS**  cis-157.7167-1256.80000112.3
101A30.7Very low32.8Very low78 Ų78147.7 Ų147.765%0.64577%0.77SS**  trans59.2114.9142.300000123.3
102K40Very low33.4Very low206 Ų206148.5 Ų148.590%0.89677%0.77SS**  trans71105137.8-59.2168.9-176.3171.50119.9
103Q30.1Very low33.9Very low194 Ų194146.8 Ų146.891%0.90777%0.766SS**  trans-135.5153132.5-167.4161.5-54.400109.4
104K36.1Very low35.3Very low189 Ų189149.1 Ų149.182%0.82277%0.772SS**PPolyproline II helixtrans-86.3143.5-179.8-69.4-146176.9-169.30111.7
105F24.5Very low36.4Very low211 Ų211145.3 Ų145.393%0.92576%0.759SS**PPolyproline II helixtrans-64.2133.6157.4-79.3-97.7000109.2
106H34.7Very low38.1Very low171 Ų171141.8 Ų141.879%0.79275%0.752SS**PPolyproline II helixtrans-89.8144.9151.6-92-104.4000107.7S108H106-S108 PolarHBondContact O-N 2.78Å
107D33.4Very low39.6Very low163 Ų163142.3 Ų142.387%0.87274%0.743SS**  trans-62.1115.1159.8-67.1-63.6000107.9E109D107-E109 PolarHBondContact O-N 2.87Å
108S35.3Very low41.6Very low117 Ų117143.7 Ų143.782%0.81875%0.751SS**  trans-85.6104.6173.2-171.60000107.4H106 G110H106-S108 PolarHBondContact O-N 2.78Å; S108-G110 PolarHBondContact O-N 3.1Å
109E36.5Very low43.1Very low189 Ų189141.4 Ų141.488%0.88374%0.738SS**  trans-59.1135.6172.5-63.3-159.7141.100109.7D107D107-E109 PolarHBondContact O-N 2.87Å
110G33.1Very low45.5Very low75 Ų75139.2 Ų139.277%0.77372%0.723SS**  trans-91.5113.3-172.900000111.6S108S108-G110 PolarHBondContact O-N 3.1Å
111D29.4Very low47.7Very low143 Ų143139.9 Ų139.977%0.76572%0.715SS**  trans46.999.6148.2-156.827.3000116T113D111-T113 VanDerWaalsContact C-N 3.27Å; D111-T113 PolarHBondContact O-N 3.08Å
112D43Very low50.1Low165 Ų165141.9 Ų141.988%0.88271%0.71SS**  trans-61.277.8178.1-91.4-58.1000112.6E114D112-E114 PolarHBondContact O-N 3.2Å
113T40.8Very low51.9Low113 Ų113138.4 Ų138.469%0.69369%0.691SS**  trans-69.4112.2163.961.90000108.3D111 E115D111-T113 VanDerWaalsContact C-N 3.27Å; D111-T113 PolarHBondContact O-N 3.08Å; T113-E115 PolarHBondContact O-N 2.73Å
114E57.7Low53.9Low187 Ų187137 Ų13787%0.87468%0.682SS**  trans-45.585.1-171-60.3176.6177.500114.9D112 T116D112-E114 PolarHBondContact O-N 3.2Å; E114-T116 PolarHBondContact O-N 2.96Å; E114-T116 VanDerWaalsContact O-N 3.16Å
115E53.5Low55.6Low62 Ų62130.8 Ų130.829%0.2966%0.662SS.*  trans-63.7115.9169.4-78.6-162.1177.100108.1T113 Y119 R120 R123T113-E115 PolarHBondContact O-N 2.73Å; E115-Y119 HydrophobicContact CB-CD1 4.27Å; E115-Y119 VanDerWaalsContact CD-CD1 3.46Å; E115-Y119 HydrophobicContact CG-CD1 3.83Å; E115-Y119 HydrophobicContact CG-CE1 4.25Å; E115-Y119 WeakPolarHBondContact OE1-CE1 3.41Å; E115-Y119 WeakPolarHBondContact OE2-CD1 3.46Å; E115-R120 HydrophobicContact CB-CG 3.94Å; E115-R120 PolarHBondContact O-NH1 3.18Å; E115-R123 IonicContact OE1-CZ 3.41Å; E115-R123 IonicContact OE1-NE 3.56Å; E115-R123 PolarHBondContact OE1-NE 3.44Å; E115-R123 IonicContact OE1-NH2 2.63Å; E115-R123 PolarHBondContact OE1-NH2 2.8Å; E115-R123 IonicContact OE2-NE 3.89Å
116T66.5Low58Low96 Ų96123.4 Ų123.459%0.58964%0.635SS**  trans-62.9152.2177.951.60000111.7E114 D118 Y119 R120E114-T116 PolarHBondContact O-N 2.96Å; E114-T116 VanDerWaalsContact O-N 3.16Å; T116-D118 PolarHBondContact O-N 2.69Å; T116-D118 VanDerWaalsContact O-N 3.08Å; T116-Y119 WeakPolarHBondContact O-CA 3.34Å; T116-Y119 WeakPolarHBondContact O-CB 3.28Å; T116-Y119 PolarHBondContact O-N 2.77Å; T116-R120 PolarHBondContact O-N 2.94Å
117E69.3Low59.8Low111 Ų111121.3 Ų121.352%0.51963%0.629SS.*Hα-helixtrans-53-34.9-176.7-127.857.1-112.900113.7R120 Q121E117-R120 VanDerWaalsContact CD-NH2 3.28Å; E117-R120 IonicContact OE1-CZ 3.97Å; E117-R120 IonicContact OE1-NE 3.7Å; E117-R120 PolarHBondContact OE1-NE 2.98Å; E117-R120 IonicContact OE1-NH2 3.85Å; E117-R120 PolarHBondContact OE1-NH2 3.16Å; E117-R120 VanDerWaalsContact OE1-NH2 3.09Å; E117-R120 IonicContact OE2-CZ 2.89Å; E117-R120 IonicContact OE2-NE 3.35Å; E117-R120 IonicContact OE2-NH2 3.35Å; E117-R120 PolarHBondContact OE2-NH2 2.81Å; E117-Q121 WeakPolarHBondContact O-CB 3.44Å; E117-Q121 VanDerWaalsContact O-CG 3.23Å; E117-Q121 WeakPolarHBondContact O-CG 3.24Å; E117-Q121 PolarHBondContact O-N 3.24Å; E117-Q121 PolarHBondContact O-NE2 2.65Å
118D74.1Confident61.2Low124 Ų124117.1 Ų117.166%0.66362%0.617SS**Hα-helixtrans-69.6-36.1176.3-65.2-20.3000112.3T116 Q121 F122T116-D118 PolarHBondContact O-N 2.69Å; T116-D118 VanDerWaalsContact O-N 3.08Å; D118-Q121 PolarHBondContact O-N 3.17Å; D118-F122 VanDerWaalsContact O-CB 3.32Å; D118-F122 WeakPolarHBondContact O-CB 3.39Å; D118-F122 PolarHBondContact O-N 3.34Å
119Y72.9Confident62.2Low116 Ų116118.7 Ų118.746%0.45562%0.616SS.*Hα-helixtrans-72.4-41176.3-166.1-97.3000111E115 T116 Q121 F122 R123E115-Y119 HydrophobicContact CB-CD1 4.27Å; E115-Y119 VanDerWaalsContact CD-CD1 3.46Å; E115-Y119 HydrophobicContact CG-CD1 3.83Å; E115-Y119 HydrophobicContact CG-CE1 4.25Å; E115-Y119 WeakPolarHBondContact OE1-CE1 3.41Å; E115-Y119 WeakPolarHBondContact OE2-CD1 3.46Å; T116-Y119 WeakPolarHBondContact O-CA 3.34Å; T116-Y119 WeakPolarHBondContact O-CB 3.28Å; T116-Y119 PolarHBondContact O-N 2.77Å; Y119-Q121 VanDerWaalsContact C-N 3.32Å; Y119-Q121 PolarHBondContact O-N 3.03Å; Y119-F122 PolarHBondContact O-N 3.49Å; Y119-R123 HydrophobicContact CD1-CG 4Å; Y119-R123 HydrophobicContact CE1-CG 3.81Å; Y119-R123 WeakPolarHBondContact O-CB 3.44Å; Y119-R123 WeakPolarHBondContact O-CG 3.29Å; Y119-R123 PolarHBondContact O-N 3.01Å
120R82.4Confident62.8Low113 Ų113115.6 Ų115.643%0.42660%0.601SS.*Hα-helixtrans-57.4-44.3169.9-70.3-161.9-88.2-106.72.6111.7E115 T116 E117 R123 K124E115-R120 HydrophobicContact CB-CG 3.94Å; E115-R120 PolarHBondContact O-NH1 3.18Å; T116-R120 PolarHBondContact O-N 2.94Å; E117-R120 VanDerWaalsContact CD-NH2 3.28Å; E117-R120 IonicContact OE1-CZ 3.97Å; E117-R120 IonicContact OE1-NE 3.7Å; E117-R120 PolarHBondContact OE1-NE 2.98Å; E117-R120 IonicContact OE1-NH2 3.85Å; E117-R120 PolarHBondContact OE1-NH2 3.16Å; E117-R120 VanDerWaalsContact OE1-NH2 3.09Å; E117-R120 IonicContact OE2-CZ 2.89Å; E117-R120 IonicContact OE2-NE 3.35Å; E117-R120 IonicContact OE2-NH2 3.35Å; E117-R120 PolarHBondContact OE2-NH2 2.81Å; R120-R123 PolarHBondContact O-N 3.18Å; R120-K124 PolarHBondContact O-N 3.06Å
121Q76.8Confident63.6Low115 Ų115115.4 Ų115.454%0.53760%0.599SS.*Hα-helixtrans-66.1-42.2176-77.2172.378.900112.8E117 D118 Y119 K124 S125E117-Q121 WeakPolarHBondContact O-CB 3.44Å; E117-Q121 VanDerWaalsContact O-CG 3.23Å; E117-Q121 WeakPolarHBondContact O-CG 3.24Å; E117-Q121 PolarHBondContact O-N 3.24Å; E117-Q121 PolarHBondContact O-NE2 2.65Å; D118-Q121 PolarHBondContact O-N 3.17Å; Y119-Q121 VanDerWaalsContact C-N 3.32Å; Y119-Q121 PolarHBondContact O-N 3.03Å; Q121-K124 WeakPolarHBondContact O-CB 3.39Å; Q121-K124 PolarHBondContact O-N 3.32Å; Q121-S125 PolarHBondContact O-N 3.42Å; Q121-S125 PolarHBondContact O-OG 3.03Å
122F81.2Confident64.6Low120 Ų120117 Ų11753%0.52660%0.599SS.*Hα-helixtrans-62.4-41.6175.4177.8-103.7000112.1D118 Y119 K124 S125 V126D118-F122 VanDerWaalsContact O-CB 3.32Å; D118-F122 WeakPolarHBondContact O-CB 3.39Å; D118-F122 PolarHBondContact O-N 3.34Å; Y119-F122 PolarHBondContact O-N 3.49Å; F122-K124 VanDerWaalsContact C-N 3.32Å; F122-K124 PolarHBondContact O-N 3.25Å; F122-S125 PolarHBondContact O-N 2.87Å; F122-S125 PolarHBondContact O-OG 3.49Å; F122-S125 VanDerWaalsContact O-OG 3.07Å; F122-V126 HydrophobicContact CD1-CG2 4.34Å; F122-V126 HydrophobicContact CD2-CG2 4.24Å; F122-V126 HydrophobicContact CE1-CG2 3.95Å; F122-V126 HydrophobicContact CE2-CG2 3.84Å; F122-V126 HydrophobicContact CG-CG2 4.47Å; F122-V126 HydrophobicContact CZ-CG2 3.68Å; F122-V126 WeakPolarHBondContact O-CB 3.42Å; F122-V126 VanDerWaalsContact O-CG2 3.27Å; F122-V126 WeakPolarHBondContact O-CG2 3.27Å; F122-V126 PolarHBondContact O-N 3.16Å
123R78.6Confident64.4Low132 Ų132114.9 Ų114.950%0.49860%0.597SS.*Hα-helixtrans-62.4-40.5173.7-67.2-105.4-94.3162.7-9111E115 Y119 R120 L127E115-R123 IonicContact OE1-CZ 3.41Å; E115-R123 IonicContact OE1-NE 3.56Å; E115-R123 PolarHBondContact OE1-NE 3.44Å; E115-R123 IonicContact OE1-NH2 2.63Å; E115-R123 PolarHBondContact OE1-NH2 2.8Å; E115-R123 IonicContact OE2-NE 3.89Å; Y119-R123 HydrophobicContact CD1-CG 4Å; Y119-R123 HydrophobicContact CE1-CG 3.81Å; Y119-R123 WeakPolarHBondContact O-CB 3.44Å; Y119-R123 WeakPolarHBondContact O-CG 3.29Å; Y119-R123 PolarHBondContact O-N 3.01Å; R120-R123 PolarHBondContact O-N 3.18Å; R123-L127 WeakPolarHBondContact O-CB 3.16Å; R123-L127 VanDerWaalsContact O-CG 3.3Å; R123-L127 WeakPolarHBondContact O-CG 3.13Å; R123-L127 PolarHBondContact O-N 3.2Å; R123-L127 VanDerWaalsContact O-N 3.11Å
124K72.8Confident64.1Low164 Ų164118.6 Ų118.671%0.71360%0.604SS**Hα-helixtrans-62.8-43.8173.8-111176177.6172.70113.4R120 Q121 F122 L127 A128R120-K124 PolarHBondContact O-N 3.06Å; Q121-K124 WeakPolarHBondContact O-CB 3.39Å; Q121-K124 PolarHBondContact O-N 3.32Å; F122-K124 VanDerWaalsContact C-N 3.32Å; F122-K124 PolarHBondContact O-N 3.25Å; K124-L127 PolarHBondContact O-N 2.98Å; K124-A128 PolarHBondContact O-N 2.93Å
125S70Confident63Low59 Ų59114.3 Ų114.341%0.41360%0.601SS.*Hα-helixtrans-71.7-38.9179.360.70000112.5Q121 F122 L127 A128 D129Q121-S125 PolarHBondContact O-N 3.42Å; Q121-S125 PolarHBondContact O-OG 3.03Å; F122-S125 PolarHBondContact O-N 2.87Å; F122-S125 PolarHBondContact O-OG 3.49Å; F122-S125 VanDerWaalsContact O-OG 3.07Å; S125-L127 PolarHBondContact O-N 3.29Å; S125-A128 PolarHBondContact O-N 3.08Å; S125-D129 PolarHBondContact O-N 3.25Å
126V75.4Confident62Low57 Ų57118 Ų11835%0.34563%0.627SS.*Hα-helixtrans-63.7-27.4173.7169.40000112.7F122 Q130F122-V126 HydrophobicContact CD1-CG2 4.34Å; F122-V126 HydrophobicContact CD2-CG2 4.24Å; F122-V126 HydrophobicContact CE1-CG2 3.95Å; F122-V126 HydrophobicContact CE2-CG2 3.84Å; F122-V126 HydrophobicContact CG-CG2 4.47Å; F122-V126 HydrophobicContact CZ-CG2 3.68Å; F122-V126 WeakPolarHBondContact O-CB 3.42Å; F122-V126 VanDerWaalsContact O-CG2 3.27Å; F122-V126 WeakPolarHBondContact O-CG2 3.27Å; F122-V126 PolarHBondContact O-N 3.16Å; V126-Q130 WeakPolarHBondContact O-CG 3.4Å; V126-Q130 PolarHBondContact O-N 3.06Å; V126-Q130 PolarHBondContact O-NE2 2.94Å
127L73.4Confident60.3Low127 Ų127118.5 Ų118.567%0.66564%0.635SS**Hα-helixtrans-80.7-28.8170.8-73.4169000113.1R123 K124 S125R123-L127 WeakPolarHBondContact O-CB 3.16Å; R123-L127 VanDerWaalsContact O-CG 3.3Å; R123-L127 WeakPolarHBondContact O-CG 3.13Å; R123-L127 PolarHBondContact O-N 3.2Å; R123-L127 VanDerWaalsContact O-N 3.11Å; K124-L127 PolarHBondContact O-N 2.98Å; S125-L127 PolarHBondContact O-N 3.29Å
128A62.8Low58.6Low75 Ų75118.9 Ų118.962%0.6265%0.65SS**Hα-helixtrans-73.7-42175.300000112.5K124 S125 Q130K124-A128 PolarHBondContact O-N 2.93Å; S125-A128 PolarHBondContact O-N 3.08Å; A128-Q130 VanDerWaalsContact C-N 3.3Å; A128-Q130 PolarHBondContact O-N 2.9Å
129D55.1Low56.5Low150 Ų150119.9 Ų119.980%0.80265%0.651SS**Hα-helixtrans-67.1-31.2176.2-83.9-1.3000112.1S125 G131S125-D129 PolarHBondContact O-N 3.25Å; D129-G131 VanDerWaalsContact C-N 3.26Å; D129-G131 PolarHBondContact O-N 3.47Å
130Q50Low54.6Low124 Ų124123.8 Ų123.858%0.57966%0.664SS**SBendtrans-80.274169.2-73.9-178.492.200110.5V126 A128 K132V126-Q130 WeakPolarHBondContact O-CG 3.4Å; V126-Q130 PolarHBondContact O-N 3.06Å; V126-Q130 PolarHBondContact O-NE2 2.94Å; A128-Q130 VanDerWaalsContact C-N 3.3Å; A128-Q130 PolarHBondContact O-N 2.9Å; Q130-K132 VanDerWaalsContact C-N 3.31Å; Q130-K132 WeakPolarHBondContact O-CB 3.43Å; Q130-K132 PolarHBondContact O-N 3.2Å
131G49.9Very low52.3Low71 Ų71124.5 Ų124.573%0.73268%0.677SS**  trans-50.882-176.600000115.4D129D129-G131 VanDerWaalsContact C-N 3.26Å; D129-G131 PolarHBondContact O-N 3.47Å
132K50.4Low50.3Low176 Ų176125.3 Ų125.377%0.76569%0.69SS**  trans-141.460.7-177.3-131.278.2172.8-170.90108.9Q130 F134Q130-K132 VanDerWaalsContact C-N 3.31Å; Q130-K132 WeakPolarHBondContact O-CB 3.43Å; Q130-K132 PolarHBondContact O-N 3.2Å; K132-F134 PolarHBondContact O-N 2.86Å
133S38.7Very low48.1Very low120 Ų120128.9 Ų128.984%0.83971%0.708SS**  trans-66.294.6-179.155.20000111.6A135S133-A135 PolarHBondContact O-N 3.34Å
134F34.5Very low46.2Very low192 Ų192131.1 Ų131.184%0.84272%0.724SS**  trans-68.7110.1159.5-82-78.9000108.4K132 T136K132-F134 PolarHBondContact O-N 2.86Å; F134-T136 PolarHBondContact O-N 2.89Å; F134-T136 VanDerWaalsContact O-N 3.09Å
135A34.4Very low44.5Very low96 Ų96132.5 Ų132.579%0.79373%0.733SS**  trans-78.992.1-174.400000111.4S133 S137S133-A135 PolarHBondContact O-N 3.34Å; A135-S137 PolarHBondContact O-N 2.83Å
136T32.2Very low42.5Very low139 Ų139132.8 Ų132.885%0.85375%0.746SS**  trans-74.581.316544.60000110.3F134 S138F134-T136 PolarHBondContact O-N 2.89Å; F134-T136 VanDerWaalsContact O-N 3.09Å; T136-S138 PolarHBondContact O-N 3.13Å
137S31.4Very low41.2Very low107 Ų107136.3 Ų136.375%0.74877%0.77SS**  trans-15.1105.1167.2173.60000116A135A135-S137 PolarHBondContact O-N 2.83Å
138S34.4Very low39.5Very low120 Ų120139.3 Ų139.384%0.83978%0.778SS**  trans-84.7123.5162.7174.80000110.1T136T136-S138 PolarHBondContact O-N 3.13Å
139H29.5Very low38.1Very low145 Ų145144.6 Ų144.667%0.67178%0.783SS**  trans-155.585.5170.7-168.9-86000115
140R33.4Very low37.1Very low197 Ų197145.3 Ų145.374%0.74378%0.779SS**  trans67.9154.2143.9-65.6-166.7161.8-178.2-6118.2
141N33.2Very low36.4Very low128 Ų128144.9 Ų144.968%0.68479%0.789SS**  cis-160.91490.3-117.69.6000109.8
142T34Very low35.7Very low132 Ų132151 Ų15181%0.8180%0.796SS**  trans-157.8114.4152.339.20000110.2
143E36.4Very low35Very low196 Ų196149.5 Ų149.592%0.91680%0.801SS**  trans-175173.3151-106.8159.1-143.600110.7
144E38.7Very low34.8Very low179 Ų179148 Ų14884%0.83679%0.791SS**  trans-66.5168.6-143.7-59.1-175.3118.200122.7
145E35.5Very low34.8Very low192 Ų192146.3 Ų146.390%0.89779%0.789SS**  trans44.7139.8152.4-64.8-142.3126.300124.2
146G29.8Very low34.7Very low66 Ų66150.9 Ų150.968%0.6879%0.791SS**  trans142.475.1157.300000117.4K148G146-K148 PolarHBondContact O-N 3.21Å
147P46.4Very low34.7Very low131 Ų131147.5 Ų147.585%0.85179%0.785SS**  trans-83.994-170.632.6-35.6000114.4
148K39.7Very low34.6Very low190 Ų190148.7 Ų148.783%0.82678%0.782SS**  trans-138.1117.8174.2-68.6-177.7-177.61680115.3G146G146-K148 PolarHBondContact O-N 3.21Å
149Y33.5Very low34.8Very low186 Ų186152.7 Ų152.773%0.72978%0.779SS**  trans88.495.6149.3-82.6-131.7000122.3
150K33.4Very low34.8Very low164 Ų164153.2 Ų153.271%0.71378%0.782SS**  57.698.3122.4-58.8170.7-168.9175.20121
151S35.3Very low34.6Very low115 Ų115149.4 Ų149.480%0.80479%0.785SS**  175.2119.6123.9-169.40000109.2
152K35.8Very low34.3Very low201 Ų201151 Ų15187%0.87479%0.794SS**  75.865.656.5-89.5-154.8174-170.40117.4
153V35.8Very low34.2Very low144 Ų144147.7 Ų147.787%0.87379%0.786SS**  trans-146143.9137.7-1730000107
154S33.3Very low33.8Very low89 Ų89146.5 Ų146.562%0.62278%0.778SS**  cis167.198.5-38.8169.10000107.3
155L34.3Very low33.6Very low155 Ų155149.1 Ų149.181%0.81278%0.78SS**  trans61.9162.8162.3-75.489.1000118.7
156K33.7Very low33.5Very low192 Ų192145.7 Ų145.784%0.83577%0.765SS**  cis-174.2151.2-31.3-177.4171.6-178.4-177.60108.1
157G31.4Very low33.7Very low69 Ų69149.2 Ų149.271%0.71176%0.763SS**  trans118.3107-179.100000110.3
158N28.7Very low33.2Very low131 Ų131151.4 Ų151.470%0.70176%0.759SS**  cis80.599.516.8-160.548.9000116.4
159R38.9Very low32.7Very low204 Ų204149.7 Ų149.777%0.7776%0.759SS**  trans71.9153.1154.4-86.3-172.2171.8157.9-0.5122.2
160E29.6Very low32.4Very low157 Ų157151 Ų15173%0.73476%0.764SS**  trans73.9164.9141.771.3-138.1127.700122.8
161S29.7Very low32.4Very low116 Ų116152 Ų15281%0.81177%0.769SS**  trans65.7132.3-162.8610000116.7
162D26Very low32Very low162 Ų162153.3 Ų153.387%0.86677%0.766SS**  cis96.5153.617.8-163.429.9000115.4
163G32.3Very low32Very low63 Ų63153 Ų15365%0.64977%0.765SS**  trans86.895.6-170.200000112.2
164F27.5Very low31.6Very low170 Ų170153.8 Ų153.875%0.74676%0.759SS**  cis62.9104.639.8-152.3-98.2000113.3E166F164-E166 HydrophobicContact CD1-CG 4.13Å; F164-E166 HydrophobicContact CE1-CG 3.6Å; F164-E166 HydrophobicContact CZ-CG 4.37Å
165R35.7Very low31.5Very low234 Ų234156.1 Ų156.188%0.88377%0.769SS**  trans-15586.6166.8-147.2-179.2-168.2-80.42.6112.6
166E33.3Very low31.2Very low121 Ų121153 Ų15357%0.56577%0.766SS**  10.8139.7120.2-62.1-176161.700117.1F164F164-E166 HydrophobicContact CD1-CG 4.13Å; F164-E166 HydrophobicContact CE1-CG 3.6Å; F164-E166 HydrophobicContact CZ-CG 4.37Å
167E34.1Very low31.1Very low139 Ų139154 Ų15465%0.6577%0.766SS**  cis-177.4-174.58.6-127.7-163.4172.700111.3
168K35.8Very low31.1Very low177 Ų177157 Ų15777%0.7776%0.764SS**  trans11499.1146.1-52-153.8176.4-172.50118.6
169N29.2Very low31.2Very low154 Ų154156.9 Ų156.982%0.82477%0.768SS**  trans-74.8154.2179-55.2-82.2000115.4
170Y26.8Very low31Very low213 Ų213155.9 Ų155.984%0.83577%0.772SS**  trans-171.7145.4144.865.3-99000109.7
171K32.8Very low31.1Very low187 Ų187159.8 Ų159.881%0.81378%0.78SS**  cis-135.2128-17.7-57.8-173.8-178.6176.90106.7
172L27.9Very low31.6Very low142 Ų142160.1 Ų160.174%0.74378%0.78SS**  46.2105.296.5-174.665000116.9E174L172-E174 HydrophobicContact CD1-CB 4.45Å
173K35Very low31.6Very low194 Ų194157.4 Ų157.484%0.84377%0.773SS**  trans-179.9106.5131.2-96.1175.7-176.6-171.90105.7
174E27.2Very low31.5Very low161 Ų161160.8 Ų160.875%0.75278%0.781SS**  57.7115.364.9-160.4168.7-134.900110.3L172L172-E174 HydrophobicContact CD1-CB 4.45Å
175T31.7Very low31.6Very low137 Ų137156.9 Ų156.984%0.8478%0.781SS**  -127.5154.852.852.30000116.2
176A29Very low31.5Very low90 Ų90155.5 Ų155.574%0.74478%0.781SS**  trans-106.5168.3168.900000112
177Y29.8Very low31.4Very low214 Ų214156.6 Ų156.684%0.83979%0.791SS**  trans-166.1121.9143.1-127.3-126.7000113.1
178I32Very low31.4Very low130 Ų130158.3 Ų158.367%0.66780%0.796SS**  trans53.3139.2136.8-62.2-165.5000120.6
179V31.3Very low31.1Very low129 Ų129157.6 Ų157.678%0.78280%0.795SS**  cis-162.8155.8-16.8137.80000106.2
180E33.7Very low31.3Very low183 Ų183156.3 Ų156.386%0.85578%0.782SS**  trans-88.5158.8175.5-67.9-166.2124.400116
181R31.6Very low31.5Very low239 Ų239153.5 Ų153.590%0.90278%0.777SS**  trans94133.9149.7-152.7171.3-171.31624.2118.9
182P40.1Very low31.5Very low124 Ų124152.6 Ų152.681%0.80578%0.775SS**  trans-100.5164.7-174.939.1-37.1000115.3
183S26Very low31.8Very low105 Ų105151.3 Ų151.373%0.73477%0.77SS**  trans-148.9121.717861.50000116.4
184T31.2Very low32Very low133 Ų133151.1 Ų151.182%0.81677%0.769SS**  trans54.6117.1134.8610000124
185A29Very low32.1Very low89 Ų89147 Ų14774%0.73677%0.77SS**  87.6114.6117.100000124.2
186K34.5Very low32.5Very low205 Ų205146.3 Ų146.389%0.89177%0.77SS**  trans63.7118.9133-64.2-172.7178.2-174.30121.5
187D30.4Very low32.5Very low144 Ų144148.7 Ų148.777%0.7777%0.771SS**  trans-147.7-172.7134.8-148.636.4000111.6
188K34.3Very low33Very low175 Ų175148.3 Ų148.376%0.76177%0.768SS**  -133.9147.4-121.5-88.2175.2-168.91570116.1
189H30.5Very low33.5Very low162 Ų162148.4 Ų148.475%0.7577%0.768SS**  77.7138.1128-161.9-109.9000122.9
190K32.9Very low33.6Very low127 Ų127146.8 Ų146.855%0.55276%0.759SS**  trans59126.3170.5-82-175.4158.4-78.80117.9
191E30.7Very low33.9Very low153 Ų153144.4 Ų144.472%0.71576%0.756SS**  68.3119.966.3-68.9-168.3126.600114.7
192E33.4Very low34.2Very low168 Ų168141 Ų14179%0.78575%0.748SS**  -168161.9107.4-105.1167.2-160.100113.2
193D34.4Very low34.3Very low116 Ų116142.7 Ų142.762%0.6274%0.743SS**  trans35.4128.1168-76.82.4000122.7
194K38.2Very low34.4Very low189 Ų189144 Ų14482%0.82274%0.737SS**  61.8134.557.1-55.7-172.7-143.592.50112.8
195G30.3Very low34.6Very low75 Ų75143.3 Ų143.377%0.77373%0.732SS**  cis151.5121.3-7.800000111.8
196S39.3Very low34.6Very low123 Ų123147.9 Ų147.986%0.8674%0.739SS**  trans-175.6158.2171.947.30000112
197D29.4Very low34.2Very low140 Ų140143.3 Ų143.375%0.74973%0.732SS**  cis-165.6162.1-36.3-162.40.6000108.9
198R39.8Very low35Very low206 Ų206141.5 Ų141.578%0.77773%0.729SS**  trans70.1147.2164.1-55.5165.883-179.55116.9
199I42.7Very low34.7Very low132 Ų132141.4 Ų141.468%0.67773%0.731SS**  cis-151.9162.6-10.8-117.7166.3000111.2
200T33.9Very low34.9Very low95 Ų95141.7 Ų141.758%0.58373%0.732SS**  trans-44.3155.2178.5620000116.5
201V38.7Very low34.7Very low132 Ų132140.6 Ų140.680%0.874%0.736SS**  -141.611772.5-163.70000110
202K39.1Very low35Very low169 Ų169141.9 Ų141.974%0.73574%0.739SS**  43.4138.695.6-60178.9179.5176.90114
203K41.4Very low35.2Very low159 Ų159138.3 Ų138.369%0.69173%0.733SS**  cis-155.9168.27.4-131.4163.4151.2-114.90105.2
204E29Very low35.1Very low131 Ų131140.2 Ų140.261%0.61274%0.738SS**  cis-157.5130.821.5-150.3125.7172.800106.6
205V35.1Very low35.1Very low119 Ų119138 Ų13872%0.72173%0.729SS**  54121.8104.7-178.40000114.2
206Q29.5Very low35.3Very low185 Ų185140.5 Ų140.586%0.86472%0.724SS**  cis-154.1171.56.9-140.8163-2400113.7
207S25.7Very low35.1Very low109 Ų109142.5 Ų142.576%0.76272%0.717SS**  trans-76.1-178.5171.1-119.30000113.3
208P47.3Very low35.5Very low106 Ų106143.6 Ų143.669%0.68872%0.718SS**  cis-121.6-1593.134.3-11.1000111.9
209E26.6Very low35.4Very low173 Ų173141.7 Ų141.781%0.80872%0.722SS**  cis-156.9-178.721.6-159162.3159.600114.2
210Q35Very low35.2Very low168 Ų168144.5 Ų144.579%0.78573%0.73SS**  trans-78.7179-170.7-37.5-17421.100113.7
211V29.7Very low35.2Very low105 Ų105146.7 Ų146.764%0.63674%0.738SS**  cis-155178.91.991.50000112.3
212K36.4Very low34.9Very low179 Ų179151.7 Ų151.778%0.77874%0.744SS**  trans-47.3175.1168.9-47.2151.3-170.9171.80113.9
213S36.8Very low34.7Very low94 Ų94148.5 Ų148.566%0.65774%0.743SS**  cis-172.516623.3-130000112.1
214E32.6Very low34.6Very low155 Ų155146.7 Ų146.772%0.72475%0.748SS**  trans67.7158.1148.1-71.3-158.2128.300119.2
215K38Very low35.2Very low142 Ų142146.5 Ų146.562%0.61776%0.758SS**  cis-156.2154.82.2-131.7-175.6-179.682.50112.6
216L35.3Very low35.4Very low128 Ų128149.1 Ų149.167%0.6777%0.767SS**  trans61.3126.1151.8-56.9-167.8000124
217K36.1Very low35.6Very low165 Ų165149.3 Ų149.372%0.71777%0.767SS**  63.9107.9125.1-64.9-175.1177.4-163.90122.4
218E37.6Very low36.6Very low164 Ų164152.7 Ų152.777%0.76677%0.768SS**  49.797.796.9-169-176.8-132.900118.1
219L36.5Very low35.8Very low165 Ų165152.7 Ų152.786%0.86477%0.771SS**  -160.9-176.5117.8-133.372.1000111.6
220F37.8Very low36.1Very low191 Ų191151.8 Ų151.884%0.83877%0.771SS**  trans-80.5-179.6-171.4-113-118.1000115
221D35.5Very low35.9Very low142 Ų142151 Ų15176%0.75977%0.771SS**  trans80.5113.1168-61.2-15.4000119.1
222Y31.8Very low36.2Very low237 Ų237150.5 Ų150.593%0.92978%0.779SS**  trans-152.1126.8143.4-120.5-77.1000112.6
223S34.5Very low36.3Very low101 Ų101151.9 Ų151.971%0.70678%0.779SS**PPolyproline II helixtrans-73.7155.8175.8-610000112.7
224P40.3Very low36.4Very low122 Ų122153.2 Ų153.279%0.79278%0.775SS**PPolyproline II helixtrans-64.9149.1177.826.8-35000112.9
225P40.5Very low37Very low127 Ų127154.5 Ų154.583%0.82578%0.778SS**PPolyproline II helixtrans-84.8141.9-16432.2-36.4000114.8
226L39.7Very low37.4Very low174 Ų174153.1 Ų153.191%0.91179%0.786SS**PPolyproline II helixtrans-74.3127.3161.2-71.8167.2000110.2
227H34.5Very low37.4Very low188 Ų188154.8 Ų154.887%0.8779%0.794SS**  trans-106.5134.6162.6-153.5-75.3000110.7
228K45.1Very low37.3Very low181 Ų181154.5 Ų154.579%0.78779%0.793SS**  trans-99.9157.1-179.7-56.3173.5-176.9176.10110.4
229S30.5Very low37.4Very low106 Ų106158.6 Ų158.674%0.74180%0.802SS**  trans-164.6121140.556.50000112.6
230L34.6Very low37.4Very low154 Ų154157.1 Ų157.181%0.80679%0.79SS**  trans62.698.3147.7-63.1166.9000119
231D30Very low37.3Very low150 Ų150157.8 Ų157.880%0.80280%0.796SS**  8.9138.1112.2-47-82.3000116.6
232A36.2Very low37.5Very low96 Ų96155.1 Ų155.179%0.79379%0.788SS**  cis-160.2179.226.100000112.8
233R38.9Very low38.2Very low208 Ų208149.4 Ų149.479%0.78578%0.781SS**  trans93.7126158.9-164.4173.2176.5136.218.2117.8
234E38.4Very low38.8Very low121 Ų121151.8 Ų151.857%0.56578%0.784SS**  trans7176.6156.4-76.2156.7-178.800121.5
235K44.1Very low38.8Very low183 Ų183157.2 Ų157.280%0.79679%0.789SS**  63.8111.2117-66.7168.9-173.9168.90120
236S46.9Very low39.1Very low113 Ų113158.2 Ų158.279%0.7979%0.786SS**  61.774.2121.3-175.40000119.2
237I36.8Very low39.5Very low162 Ų162158.6 Ų158.683%0.83178%0.78SS**  trans-163.7139.8156.4-96.9141.1000104.8
238F32.3Very low39.9Very low160 Ų160158.3 Ų158.370%0.70278%0.782SS**  cis-139.61466.6-151.8-129.5000110.1E240F238-E240 WeakPolarHBondContact CD1-O 3.48Å; F238-E240 HydrophobicContact CE1-CB 4.2Å; F238-E240 WeakPolarHBondContact CE1-O 3.38Å; F238-E240 HydrophobicContact CZ-CB 4.43Å
239R40Very low40Very low250 Ų250156.7 Ų156.794%0.94378%0.78SS**  trans-135.954.2174.1-123.3-63.3-168.5-140.8-0.5110.9
240E37.3Very low40.5Very low134 Ų134156.4 Ų156.463%0.62678%0.784SS**  trans-150.7118.1172.7-120.1176.1147.300111.8F238F238-E240 WeakPolarHBondContact CD1-O 3.48Å; F238-E240 HydrophobicContact CE1-CB 4.2Å; F238-E240 WeakPolarHBondContact CE1-O 3.38Å; F238-E240 HydrophobicContact CZ-CB 4.43Å
241E34.5Very low40.9Very low205 Ų205154.1 Ų154.196%0.95878%0.781SS**  trans-121.4103.7140-174.9173.9-178.100106
242S40.1Very low42.2Very low85 Ų85154.9 Ų154.959%0.59479%0.785SS**  trans-144.3120.6177.8-173.10000107.7L244S242-L244 PolarHBondContact O-N 2.91Å
243P47Very low42.5Very low118 Ų118154.2 Ų154.277%0.76677%0.774SS**  trans-74.8117.9-163.126.1-33.7000113.4
244L47Very low43.1Very low150 Ų150154.1 Ų154.179%0.78578%0.782SS**  trans5684.4147-56.1178000117.5S242S242-L244 PolarHBondContact O-N 2.91Å
245R41.3Very low43.6Very low236 Ų236158.7 Ų158.789%0.89179%0.794SS**  trans-107.597.2141.4-73.9-173.6-65.9-179.8-2.2109.3K247R245-K247 PolarHBondContact O-N 3.48Å
246I46.5Very low43.9Very low148 Ų148155.5 Ų155.576%0.75979%0.793SS**  trans-60.9110.1-178.4-59.8172.1000109.4
247K47.7Very low44.1Very low182 Ų182157.2 Ų157.279%0.79179%0.788SS**  trans-116.4111.4160.3-72.3-172.1175.4-175.20107.3R245 I249R245-K247 PolarHBondContact O-N 3.48Å; K247-I249 PolarHBondContact O-N 3.42Å
248M43.5Very low45.2Very low183 Ų183155.1 Ų155.190%0.90178%0.782SS**  trans-66.7114.1172.4-72.6171.258.500109
249I46.1Very low46.5Very low147 Ų147155 Ų15575%0.75478%0.781SS**  trans-116.4123.1163.1-58.7178.7000105.2K247 S251K247-I249 PolarHBondContact O-N 3.42Å; I249-S251 PolarHBondContact O-N 2.9Å
250A41.1Very low47.5Very low99 Ų99150.1 Ų150.182%0.81877%0.773SS**  trans-70.6117.7-178.100000109.9D252A250-D252 PolarHBondContact O-N 2.9Å; A250-D252 VanDerWaalsContact O-N 3.15Å
251S43.1Very low48.3Very low106 Ų106153.2 Ų153.274%0.74179%0.785SS**  trans-71.1103.4167.6-54.60000108.9I249 S253I249-S251 PolarHBondContact O-N 2.9Å; S251-S253 PolarHBondContact O-N 3.43Å; S251-S253 PolarHBondContact O-OG 2.91Å
252D56.4Low49.4Very low167 Ų167151.2 Ų151.289%0.89378%0.778SS**  trans-59.4123.6169.3-170.79.8000109A250A250-D252 PolarHBondContact O-N 2.9Å; A250-D252 VanDerWaalsContact O-N 3.15Å
253S42.7Very low50.2Low81 Ų81151 Ų15157%0.56678%0.78SS**  trans-150.8125.5-173.847.30000108.2S251 R255S251-S253 PolarHBondContact O-N 3.43Å; S251-S253 PolarHBondContact O-OG 2.91Å; S253-R255 PolarHBondContact O-N 3.18Å
254H52.8Low50.7Low206 Ų206151.2 Ų151.295%0.95478%0.782SS**  trans-49.6104-172.4-90.5-51.8000112.6
255R47.4Very low51.3Low217 Ų217150.3 Ų150.382%0.81978%0.782SS**  trans-100138.7162.1-81-177.5163.4-174.4-4.8109.3S253 E257S253-R255 PolarHBondContact O-N 3.18Å; R255-E257 PolarHBondContact O-N 3.41Å
256P50.9Low52Low117 Ų117144.3 Ų144.376%0.7677%0.774SS**  trans-66.2122.8167.227.7-32.5000109.8V258P256-V258 PolarHBondContact O-N 2.78Å
257E52.4Low52.5Low148 Ų148146.2 Ų146.269%0.69279%0.785SS**  trans-72.585.5-179.1-66.9-170.2152.100112.4R255 K259R255-E257 PolarHBondContact O-N 3.41Å; E257-K259 PolarHBondContact O-N 2.87Å; E257-K259 WeakPolarHBondContact OE2-CE 3.16Å; E257-K259 IonicContact OE2-NZ 2.86Å; E257-K259 PolarHBondContact OE2-NZ 2.93Å
258V59.5Low52.4Low118 Ų118144.4 Ų144.472%0.71578%0.784SS**  trans-74.995169.2-174.90000109.4P256 L260P256-V258 PolarHBondContact O-N 2.78Å; V258-L260 VanDerWaalsContact C-N 3.33Å; V258-L260 HydrophobicContact CG1-CG 4.46Å; V258-L260 PolarHBondContact O-N 3.31Å
259K58.4Low52.2Low157 Ų157142.8 Ų142.868%0.68378%0.779SS**  trans-74.678-176.6-74.8171.4178157.40112.4E257 K261E257-K259 PolarHBondContact O-N 2.87Å; E257-K259 WeakPolarHBondContact OE2-CE 3.16Å; E257-K259 IonicContact OE2-NZ 2.86Å; E257-K259 PolarHBondContact OE2-NZ 2.93Å; K259-K261 PolarHBondContact O-N 2.67Å
260L62.8Low52.6Low148 Ų148139.9 Ų139.978%0.77577%0.772SS**  trans-64.391.6172.6-79.3168000111.6V258 M262V258-L260 VanDerWaalsContact C-N 3.33Å; V258-L260 HydrophobicContact CG1-CG 4.46Å; V258-L260 PolarHBondContact O-N 3.31Å; L260-M262 VanDerWaalsContact C-N 3.32Å; L260-M262 PolarHBondContact O-N 2.9Å
261K53Low53.1Low199 Ų199142.2 Ų142.287%0.86577%0.77SS**  trans-73.979.4169.9-77.9-81.6-171.6171.20110.6K259 A263K259-K261 PolarHBondContact O-N 2.67Å; K261-A263 PolarHBondContact O-N 3.34Å
262M57Low53.4Low164 Ų164147.5 Ų147.581%0.80877%0.774SS**  trans-71.3109.7165.4-69-58.2-64.100109.4L260L260-M262 VanDerWaalsContact C-N 3.32Å; L260-M262 PolarHBondContact O-N 2.9Å
263A57.9Low53.3Low79 Ų79146.2 Ų146.265%0.65378%0.775SS**  trans-79.6130.2168.300000109.2K261 V265K261-A263 PolarHBondContact O-N 3.34Å; A263-V265 PolarHBondContact O-N 2.63Å; A263-V265 VanDerWaalsContact O-N 3.17Å
264P57.4Low53.9Low124 Ų124144.7 Ų144.781%0.80577%0.767SS**  trans-69.4112.1171.428.3-32000109
265V60.3Low54.1Low130 Ų130138.1 Ų138.179%0.78875%0.745SS**  trans-69.2127.8165.8177.70000107.3A263 L267A263-V265 PolarHBondContact O-N 2.63Å; A263-V265 VanDerWaalsContact O-N 3.17Å; V265-L267 PolarHBondContact O-N 3.17Å
266P55.1Low54.7Low111 Ų111133 Ų13372%0.72173%0.733SS**  trans-57.8126.2174.4-24.534.8000110.7D268P266-D268 PolarHBondContact O-N 3.1Å
267L57.1Low55.1Low187 Ų187132.2 Ų132.298%0.97973%0.726SS**  trans-8298.8166.3-174.772.3000106.9V265V265-L267 PolarHBondContact O-N 3.17Å
268D45.4Very low55.8Low144 Ų144132.2 Ų132.277%0.7772%0.724SS**  trans-129.8167.2-179.8-159.75.3000110.2P266P266-D268 PolarHBondContact O-N 3.1Å
269D38.4Very low56.2Low149 Ų149130.7 Ų130.780%0.79771%0.712SS**  -75.9170-129-146.6-8.9000117.9
270S54.5Low56.9Low86 Ų86131.8 Ų131.860%0.60171%0.711SS**  trans-59.7169.3-178-169.80000114.8
271N51.8Low57.2Low148 Ų148130.1 Ų130.179%0.79170%0.702SS**  trans84.671.7169.2-47.2-72.1000117.7
272R50.6Low58.1Low217 Ų217126.1 Ų126.182%0.81969%0.69SS**  trans-145116.9147.5-148.3174.2-160-122.92.2113.4A274R272-A274 VanDerWaalsContact C-N 3.26Å; R272-A274 HydrophobicContact CG-CB 4.46Å; R272-A274 PolarHBondContact O-N 3.1Å
273P53.8Low58.8Low141 Ų141120.8 Ų120.892%0.91667%0.672SS**THydrogen-bonded Turntrans-78.371.1-179.832.5-35.5000111.5
274A55.1Low59.3Low49 Ų49119.2 Ų119.241%0.40566%0.656SS.*THydrogen-bonded Turntrans-143.51-174.200000115.7R272R272-A274 VanDerWaalsContact C-N 3.26Å; R272-A274 HydrophobicContact CG-CB 4.46Å; R272-A274 PolarHBondContact O-N 3.1Å
275S57.4Low59.6Low68 Ų68117.3 Ų117.348%0.47664%0.643SS.*SBendtrans-83.9-41.4176.649.10000113.4T277 K278 D279S275-T277 PolarHBondContact O-N 2.87Å; S275-K278 WeakPolarHBondContact O-CA 3.32Å; S275-K278 WeakPolarHBondContact O-CB 3.4Å; S275-K278 PolarHBondContact O-N 3.06Å; S275-D279 PolarHBondContact O-N 2.89Å
276L59.1Low59.8Low110 Ų110117.6 Ų117.658%0.57664%0.639SS**Hα-helixtrans-53.9-26.2-169.5-158.785000114.7R280L276-R280 VanDerWaalsContact O-CB 3.3Å; L276-R280 WeakPolarHBondContact O-CB 3.43Å; L276-R280 WeakPolarHBondContact O-CG 3.17Å; L276-R280 PolarHBondContact O-N 3.44Å
277T61Low60.3Low99 Ų99117.9 Ų117.961%0.60764%0.638SS**Hα-helixtrans-72.2-38.2175.350.40000112.4S275 L281S275-T277 PolarHBondContact O-N 2.87Å; T277-L281 WeakPolarHBondContact O-CB 3.47Å; T277-L281 PolarHBondContact O-N 3.19Å
278K65.5Low60.3Low149 Ų149115.4 Ų115.465%0.64862%0.622SS**Hα-helixtrans-69.8-42.5174.3-61.6-177.5-179.4-179.60110.8S275 R280 L281 L282S275-K278 WeakPolarHBondContact O-CA 3.32Å; S275-K278 WeakPolarHBondContact O-CB 3.4Å; S275-K278 PolarHBondContact O-N 3.06Å; K278-R280 VanDerWaalsContact C-N 3.34Å; K278-R280 PolarHBondContact O-N 2.73Å; K278-L281 WeakPolarHBondContact O-CB 3.3Å; K278-L281 PolarHBondContact O-N 2.76Å; K278-L281 VanDerWaalsContact O-N 3.09Å; K278-L282 WeakPolarHBondContact O-CG 3.49Å; K278-L282 PolarHBondContact O-N 2.98Å
279D69.1Low60.9Low86 Ų86113 Ų11346%0.4662%0.616SS.*Hα-helixtrans-65.2-39.2178.3-55.1-36.1000111.1S275 L282 A283S275-D279 PolarHBondContact O-N 2.89Å; D279-L282 PolarHBondContact O-N 3.23Å; D279-A283 VanDerWaalsContact O-CB 3.24Å; D279-A283 WeakPolarHBondContact O-CB 3.37Å; D279-A283 PolarHBondContact O-N 3.08Å
280R72.7Confident61.4Low180 Ų180111.7 Ų111.768%0.67961%0.613SS**Hα-helixtrans-64.7-34.8170-84.7-179.6160.4157.9-3.5113.5L276 K278 S284L276-R280 VanDerWaalsContact O-CB 3.3Å; L276-R280 WeakPolarHBondContact O-CB 3.43Å; L276-R280 WeakPolarHBondContact O-CG 3.17Å; L276-R280 PolarHBondContact O-N 3.44Å; K278-R280 VanDerWaalsContact C-N 3.34Å; K278-R280 PolarHBondContact O-N 2.73Å; R280-S284 VanDerWaalsContact O-CB 3.27Å; R280-S284 WeakPolarHBondContact O-CB 3.21Å; R280-S284 PolarHBondContact O-N 3.35Å; R280-S284 PolarHBondContact O-OG 3.08Å; R280-S284 VanDerWaalsContact O-OG 3.13Å
281L70Confident61.5Low112 Ų112116.7 Ų116.759%0.58662%0.624SS**Hα-helixtrans-70.7-42176.3-123.9156000111.5T277 K278 S284 T285T277-L281 WeakPolarHBondContact O-CB 3.47Å; T277-L281 PolarHBondContact O-N 3.19Å; K278-L281 WeakPolarHBondContact O-CB 3.3Å; K278-L281 PolarHBondContact O-N 2.76Å; K278-L281 VanDerWaalsContact O-N 3.09Å; L281-S284 PolarHBondContact O-N 3.16Å; L281-S284 PolarHBondContact O-OG 3.09Å; L281-S284 VanDerWaalsContact O-OG 3.08Å; L281-T285 HydrophobicContact CD2-CG2 4.44Å; L281-T285 WeakPolarHBondContact O-CG2 3.16Å; L281-T285 PolarHBondContact O-N 3.28Å; L281-T285 PolarHBondContact O-OG1 3.45Å
282L71.7Confident61.6Low115 Ų115118.1 Ų118.160%0.60262%0.623SS**Hα-helixtrans-64-48.7173.6-71.5170.4000110.8K278 D279 S284 T285 L286K278-L282 WeakPolarHBondContact O-CG 3.49Å; K278-L282 PolarHBondContact O-N 2.98Å; D279-L282 PolarHBondContact O-N 3.23Å; L282-S284 VanDerWaalsContact C-N 3.32Å; L282-S284 PolarHBondContact O-N 2.92Å; L282-T285 WeakPolarHBondContact CA-OG1 3.43Å; L282-T285 PolarHBondContact O-N 3.09Å; L282-T285 PolarHBondContact O-OG1 2.94Å; L282-L286 WeakPolarHBondContact O-CB 3.27Å; L282-L286 PolarHBondContact O-N 3.2Å
283A72Confident61.6Low52 Ų52115.6 Ų115.643%0.4362%0.621SS.*Hα-helixtrans-59.6-40175.400000112.3D279 L286 V287D279-A283 VanDerWaalsContact O-CB 3.24Å; D279-A283 WeakPolarHBondContact O-CB 3.37Å; D279-A283 PolarHBondContact O-N 3.08Å; A283-L286 PolarHBondContact O-N 3.1Å; A283-V287 WeakPolarHBondContact O-CB 3.2Å; A283-V287 VanDerWaalsContact O-CG2 3.31Å; A283-V287 WeakPolarHBondContact O-CG2 3.47Å; A283-V287 PolarHBondContact O-N 2.89Å
284S68.1Low61.5Low47 Ų47116 Ų11633%0.32961%0.61SS.*Hα-helixtrans-71.9-36.4176.870.90000112.4R280 L281 L282 L286 V287 H288R280-S284 VanDerWaalsContact O-CB 3.27Å; R280-S284 WeakPolarHBondContact O-CB 3.21Å; R280-S284 PolarHBondContact O-N 3.35Å; R280-S284 PolarHBondContact O-OG 3.08Å; R280-S284 VanDerWaalsContact O-OG 3.13Å; L281-S284 PolarHBondContact O-N 3.16Å; L281-S284 PolarHBondContact O-OG 3.09Å; L281-S284 VanDerWaalsContact O-OG 3.08Å; L282-S284 VanDerWaalsContact C-N 3.32Å; L282-S284 PolarHBondContact O-N 2.92Å; S284-L286 VanDerWaalsContact C-N 3.31Å; S284-L286 PolarHBondContact O-N 3.23Å; S284-V287 PolarHBondContact O-N 2.94Å; S284-H288 VanDerWaalsContact O-CB 3.3Å; S284-H288 WeakPolarHBondContact O-CB 3.48Å; S284-H288 PolarHBondContact O-N 2.77Å; S284-H288 PolarHBondContact O-ND1 2.75Å
285T62.7Low61.6Low84 Ų84119.9 Ų119.952%0.51562%0.62SS.*Hα-helixtrans-65.8-32.4171.855.80000113.1L281 L282 H288 S289L281-T285 HydrophobicContact CD2-CG2 4.44Å; L281-T285 WeakPolarHBondContact O-CG2 3.16Å; L281-T285 PolarHBondContact O-N 3.28Å; L281-T285 PolarHBondContact O-OG1 3.45Å; L282-T285 WeakPolarHBondContact CA-OG1 3.43Å; L282-T285 PolarHBondContact O-N 3.09Å; L282-T285 PolarHBondContact O-OG1 2.94Å; T285-H288 CarbonylContact O-C 3.59Å; T285-S289 PolarHBondContact O-N 3.32Å
286L65.1Low61.6Low135 Ų135125.5 Ų125.571%0.70764%0.636SS**Hα-helixtrans-70.7-39174.6-175.564.3000112.2L282 A283 S284L282-L286 WeakPolarHBondContact O-CB 3.27Å; L282-L286 PolarHBondContact O-N 3.2Å; A283-L286 PolarHBondContact O-N 3.1Å; S284-L286 VanDerWaalsContact C-N 3.31Å; S284-L286 PolarHBondContact O-N 3.23Å
287V65.5Low62Low117 Ų117127.8 Ų127.871%0.70964%0.637SS**Hα-helixtrans-78.4-32.6178.1170.70000112.4A283 S284 S289A283-V287 WeakPolarHBondContact O-CB 3.2Å; A283-V287 VanDerWaalsContact O-CG2 3.31Å; A283-V287 WeakPolarHBondContact O-CG2 3.47Å; A283-V287 PolarHBondContact O-N 2.89Å; S284-V287 PolarHBondContact O-N 2.94Å; V287-S289 VanDerWaalsContact C-N 3.26Å; V287-S289 PolarHBondContact O-N 3.4Å
288H57.3Low62.5Low136 Ų136125.3 Ų125.363%0.6362%0.624SS**THydrogen-bonded Turntrans-9338.8173.9-59.183.6000111.6S284 T285 V290S284-H288 VanDerWaalsContact O-CB 3.3Å; S284-H288 WeakPolarHBondContact O-CB 3.48Å; S284-H288 PolarHBondContact O-N 2.77Å; S284-H288 PolarHBondContact O-ND1 2.75Å; T285-H288 CarbonylContact O-C 3.59Å; H288-V290 VanDerWaalsContact C-N 3.3Å; H288-V290 PolarHBondContact O-N 3.03Å
289S57Low62.6Low92 Ų92124.5 Ų124.564%0.64363%0.625SS**  trans-62.792.6168.961.90000108.9T285 V287 K291T285-S289 PolarHBondContact O-N 3.32Å; V287-S289 VanDerWaalsContact C-N 3.26Å; V287-S289 PolarHBondContact O-N 3.4Å; S289-K291 PolarHBondContact O-N 3.25Å
290V48.9Very low62.3Low123 Ų123127.2 Ų127.275%0.74563%0.633SS**  trans-56129.7-171.7173.10000110H288 K292H288-V290 VanDerWaalsContact C-N 3.3Å; H288-V290 PolarHBondContact O-N 3.03Å; V290-K292 PolarHBondContact O-N 3.37Å
291K56.9Low61.7Low190 Ų190121.6 Ų121.683%0.82662%0.616SS**  trans-65.476.9-178.2-172-178.1175.4-177.80111.9S289S289-K291 PolarHBondContact O-N 3.25Å
292K53.5Low61.1Low179 Ų179122.9 Ų122.978%0.77862%0.619SS**  trans-109136.7154.2-74.4-170.1172.9-1730107.5V290 Q294V290-K292 PolarHBondContact O-N 3.37Å; K292-Q294 PolarHBondContact O-N 3.29Å
293E51.4Low60.6Low164 Ų164123 Ų12377%0.76662%0.619SS**  trans-68.381.2168.6-63.589179.100110.4E295E293-E295 PolarHBondContact O-N 2.67Å
294Q51.5Low59.7Low150 Ų150127.7 Ų127.770%0.70163%0.63SS**  trans-62113.1143.6-176.8168.620.300105.3K292 F296K292-Q294 PolarHBondContact O-N 3.29Å; Q294-F296 VanDerWaalsContact C-N 3.35Å; Q294-F296 WeakPolarHBondContact O-CD2 3.46Å; Q294-F296 PolarHBondContact O-N 3.38Å
295E57.9Low59Low129 Ų129130.9 Ų130.960%0.60364%0.643SS**  trans-60.898.1-179.9-69.9-168.6173.900109.8E293 R297E293-E295 PolarHBondContact O-N 2.67Å; E295-R297 VanDerWaalsContact CD-NH2 3.35Å; E295-R297 PolarHBondContact O-N 3.45Å; E295-R297 IonicContact OE1-NH2 2.87Å; E295-R297 IonicContact OE2-CZ 2.68Å; E295-R297 IonicContact OE2-NE 3.18Å; E295-R297 PolarHBondContact OE2-NE 3.09Å; E295-R297 IonicContact OE2-NH2 3.51Å; E295-R297 PolarHBondContact OE2-NH2 3.22Å
296F57.6Low58.6Low186 Ų186131.5 Ų131.582%0.81665%0.648SS**  trans-69.274.5161.4-69.9-77.2000108.2Q294 S298Q294-F296 VanDerWaalsContact C-N 3.35Å; Q294-F296 WeakPolarHBondContact O-CD2 3.46Å; Q294-F296 PolarHBondContact O-N 3.38Å; F296-S298 PolarHBondContact O-N 2.82Å
297R65.8Low57.8Low159 Ų159134.3 Ų134.360%0.666%0.658SS**  trans-43.7113.5156.1-70-73.5144.3-158.51105.5E295 I299E295-R297 VanDerWaalsContact CD-NH2 3.35Å; E295-R297 PolarHBondContact O-N 3.45Å; E295-R297 IonicContact OE1-NH2 2.87Å; E295-R297 IonicContact OE2-CZ 2.68Å; E295-R297 IonicContact OE2-NE 3.18Å; E295-R297 PolarHBondContact OE2-NE 3.09Å; E295-R297 IonicContact OE2-NH2 3.51Å; E295-R297 PolarHBondContact OE2-NH2 3.22Å; R297-I299 PolarHBondContact O-N 2.87Å
298S73.1Confident57.1Low46 Ų46132.1 Ų132.132%0.32265%0.652SS.*  trans-61140.2-159.6-175.50000108.3F296 F300 D301 H302F296-S298 PolarHBondContact O-N 2.82Å; S298-F300 PolarHBondContact O-N 3.28Å; S298-F300 PolarHBondContact OG-N 3.25Å; S298-D301 VanDerWaalsContact CB-OD2 3.23Å; S298-D301 WeakPolarHBondContact CB-OD2 3.45Å; S298-D301 PolarHBondContact N-OD2 3.1Å; S298-D301 WeakPolarHBondContact O-CB 3.4Å; S298-D301 PolarHBondContact O-N 2.7Å; S298-H302 PolarHBondContact O-CE1 2.86Å; S298-H302 PolarHBondContact O-ND1 3.31Å
299I66.6Low56.9Low133 Ų133132.2 Ų132.268%0.68266%0.657SS**THydrogen-bonded Turntrans-56.4-28.4174.9-38-179.8000109.1R297 H302R297-I299 PolarHBondContact O-N 2.87Å; I299-H302 PolarHBondContact O-ND1 3.25Å
300F62.1Low56.9Low143 Ų143133.8 Ų133.863%0.62765%0.652SS**THydrogen-bonded Turntrans-77.2-15.3173.6-55.7-78.8000115.9S298 H302 I303 K304S298-F300 PolarHBondContact O-N 3.28Å; S298-F300 PolarHBondContact OG-N 3.25Å; F300-H302 VanDerWaalsContact C-N 3.33Å; F300-I303 HydrophobicContact CD1-CD1 3.93Å; F300-I303 HydrophobicContact CE1-CD1 4.41Å; F300-I303 CarbonylContact O-C 3.39Å; F300-I303 WeakPolarHBondContact O-CA 3.37Å; F300-I303 PolarHBondContact O-N 2.98Å; F300-I303 VanDerWaalsContact O-N 3.07Å; F300-K304 PolarHBondContact O-N 2.68Å
301D60.5Low57.3Low61 Ų61130.3 Ų130.333%0.32663%0.633SS.*THydrogen-bonded Turntrans-69.2-34.1172.9-74-41.8000110.9S298 I303 K304S298-D301 VanDerWaalsContact CB-OD2 3.23Å; S298-D301 WeakPolarHBondContact CB-OD2 3.45Å; S298-D301 PolarHBondContact N-OD2 3.1Å; S298-D301 WeakPolarHBondContact O-CB 3.4Å; S298-D301 PolarHBondContact O-N 2.7Å; D301-I303 PolarHBondContact O-N 3.17Å; D301-K304 WeakPolarHBondContact O-CB 3.23Å; D301-K304 PolarHBondContact O-N 3.06Å; D301-K304 IonicContact OD1-NZ 2.68Å; D301-K304 PolarHBondContact OD1-NZ 3.46Å
302H57.3Low58.2Low139 Ų139127.2 Ų127.264%0.64463%0.631SS**THydrogen-bonded Turntrans-69.5-21.3168.6-38.9102.7000112.6S298 I299 F300 K304S298-H302 PolarHBondContact O-CE1 2.86Å; S298-H302 PolarHBondContact O-ND1 3.31Å; I299-H302 PolarHBondContact O-ND1 3.25Å; F300-H302 VanDerWaalsContact C-N 3.33Å; H302-K304 VanDerWaalsContact C-N 3.34Å
303I61.2Low59.4Low117 Ų117121.8 Ų121.860%0.662%0.615SS**THydrogen-bonded Turntrans-88.8-5.3176.7-55.4171.9000110.9F300 D301 L305F300-I303 HydrophobicContact CD1-CD1 3.93Å; F300-I303 HydrophobicContact CE1-CD1 4.41Å; F300-I303 CarbonylContact O-C 3.39Å; F300-I303 WeakPolarHBondContact O-CA 3.37Å; F300-I303 PolarHBondContact O-N 2.98Å; F300-I303 VanDerWaalsContact O-N 3.07Å; D301-I303 PolarHBondContact O-N 3.17Å; I303-L305 PolarHBondContact O-N 3.02Å
304K53.8Low61.3Low152 Ų152117.4 Ų117.466%0.66160%0.595SS**  trans-72.754.1154.7-63.1174.3-177152.70110.4F300 D301 H302 P306F300-K304 PolarHBondContact O-N 2.68Å; D301-K304 WeakPolarHBondContact O-CB 3.23Å; D301-K304 PolarHBondContact O-N 3.06Å; D301-K304 IonicContact OD1-NZ 2.68Å; D301-K304 PolarHBondContact OD1-NZ 3.46Å; H302-K304 VanDerWaalsContact C-N 3.34Å; K304-P306 WeakPolarHBondContact O-CD 3.37Å
305L53Low63.1Low114 Ų114112.9 Ų112.960%0.59758%0.58SS**  trans-48123.1153-170.576.6000106.3I303 Q307I303-L305 PolarHBondContact O-N 3.02Å; L305-Q307 PolarHBondContact O-N 3.47Å
306P53.7Low64.8Low97 Ų97112.8 Ų112.863%0.6358%0.578SS**  trans-51.3143.2167.9-24.234.1000108.2K304 A308K304-P306 WeakPolarHBondContact O-CD 3.37Å; P306-A308 HydrophobicContact CB-CB 4.45Å; P306-A308 PolarHBondContact O-N 3.31Å
307Q49.7Very low66.6Low193 Ų193108.8 Ų108.890%0.90256%0.564SS**SBendtrans-74.865.3178.4-64.1-161.22.100110.4L305L305-Q307 PolarHBondContact O-N 3.47Å
308A49.7Very low68Low72 Ų72105.4 Ų105.460%0.59556%0.555SS**  trans-103.4-9.1-177.600000111.9P306 K310P306-A308 HydrophobicContact CB-CB 4.45Å; P306-A308 PolarHBondContact O-N 3.31Å; A308-K310 PolarHBondContact O-N 3.41Å
309N53.5Low69.1Low138 Ų138108.5 Ų108.574%0.73856%0.564SS**SBendtrans-68.768.6150.6-73.2-2.9000108.2S311N309-S311 PolarHBondContact O-N 3.11Å
310K57.5Low70.5Confident124 Ų124105.8 Ų105.854%0.53955%0.55SS..  trans-51.4111.7167.5-58.6177.6-175.1-176.70105.9A308 E314A308-K310 PolarHBondContact O-N 3.41Å; K310-E314 WeakPolarHBondContact CA-OE2 3.41Å
311S57.4Low72.2Confident50 Ų50102.6 Ų102.635%0.3554%0.542SS..  trans-58.5152.1-172.5640000109.6N309 S313 E314 S315N309-S311 PolarHBondContact O-N 3.11Å; S311-S313 WeakPolarHBondContact CB-OG 3.39Å; S311-S313 PolarHBondContact O-N 3.47Å; S311-S313 VanDerWaalsContact O-N 3.1Å; S311-S313 PolarHBondContact OG-OG 3.49Å; S311-E314 WeakPolarHBondContact O-CA 3.25Å; S311-E314 WeakPolarHBondContact O-CB 3.24Å; S311-E314 PolarHBondContact O-N 3.27Å; S311-E314 VanDerWaalsContact OG-CB 3.3Å; S311-E314 WeakPolarHBondContact OG-CB 3.24Å; S311-E314 PolarHBondContact OG-N 3.44Å; S311-S315 PolarHBondContact O-N 3.03Å; S311-S315 PolarHBondContact O-OG 2.95Å
312T75.3Confident73.8Confident126 Ų126103.1 Ų103.177%0.77355%0.55SS**Hα-helixtrans-56.7-30.2176.747.40000111.7S315 F316T312-S315 PolarHBondContact O-OG 3.07Å; T312-F316 WeakPolarHBondContact O-CB 3.15Å; T312-F316 PolarHBondContact O-N 3.35Å
313S79.7Confident75.7Confident65 Ų65100.9 Ų100.946%0.45554%0.543SS..Hα-helixtrans-64.3-40.8166.734.10000114.5S311 F316 I317S311-S313 WeakPolarHBondContact CB-OG 3.39Å; S311-S313 PolarHBondContact O-N 3.47Å; S311-S313 VanDerWaalsContact O-N 3.1Å; S311-S313 PolarHBondContact OG-OG 3.49Å; S313-F316 PolarHBondContact O-N 2.88Å; S313-I317 WeakPolarHBondContact O-CB 3.43Å; S313-I317 WeakPolarHBondContact O-CD1 3.25Å; S313-I317 WeakPolarHBondContact O-CG1 3.45Å; S313-I317 PolarHBondContact O-N 3.2Å
314E89.7Confident77.4Confident72 Ų7299.5 Ų99.534%0.33654%0.54SS..Hα-helixtrans-72.3-42.4179.5-171.3-160.2141.800111.9K310 S311 F316 I317 Q318K310-E314 WeakPolarHBondContact CA-OE2 3.41Å; S311-E314 WeakPolarHBondContact O-CA 3.25Å; S311-E314 WeakPolarHBondContact O-CB 3.24Å; S311-E314 PolarHBondContact O-N 3.27Å; S311-E314 VanDerWaalsContact OG-CB 3.3Å; S311-E314 WeakPolarHBondContact OG-CB 3.24Å; S311-E314 PolarHBondContact OG-N 3.44Å; E314-F316 VanDerWaalsContact C-N 3.3Å; E314-F316 PolarHBondContact O-N 3.05Å; E314-I317 PolarHBondContact O-N 3.03Å; E314-Q318 WeakPolarHBondContact O-CB 3.45Å; E314-Q318 WeakPolarHBondContact O-CG 3.37Å; E314-Q318 PolarHBondContact O-N 3.41Å; E314-Q318 PolarHBondContact OE1-NE2 2.94Å
315S89.9Confident79.3Confident55 Ų5596.6 Ų96.639%0.38553%0.528SS..Hα-helixtrans-66.6-33.7173.358.30000111.7S311 T312 Q318 H319S311-S315 PolarHBondContact O-N 3.03Å; S311-S315 PolarHBondContact O-OG 2.95Å; T312-S315 PolarHBondContact O-OG 3.07Å; S315-Q318 PolarHBondContact O-N 3.46Å; S315-H319 WeakPolarHBondContact O-CB 3.15Å; S315-H319 PolarHBondContact O-N 2.98Å
316F93.4Very high81.2Confident127 Ų12796.3 Ų96.356%0.55752%0.524SS*.Hα-helixtrans-66.2-40.8170179.2-114000112.8T312 S313 E314 H319 I320T312-F316 WeakPolarHBondContact O-CB 3.15Å; T312-F316 PolarHBondContact O-N 3.35Å; S313-F316 PolarHBondContact O-N 2.88Å; E314-F316 VanDerWaalsContact C-N 3.3Å; E314-F316 PolarHBondContact O-N 3.05Å; F316-H319 WeakPolarHBondContact O-CB 3.32Å; F316-H319 PolarHBondContact O-N 2.89Å; F316-I320 HydrophobicContact CD1-CD1 3.85Å; F316-I320 HydrophobicContact CE1-CD1 3.49Å; F316-I320 VanDerWaalsContact CE1-CD1 3.49Å; F316-I320 HydrophobicContact CE2-CD1 4.22Å; F316-I320 HydrophobicContact CE2-CG1 4.46Å; F316-I320 HydrophobicContact CG-CD1 4.37Å; F316-I320 HydrophobicContact CZ-CD1 3.7Å; F316-I320 HydrophobicContact CZ-CG1 4.38Å; F316-I320 WeakPolarHBondContact O-CG1 3.46Å; F316-I320 PolarHBondContact O-N 3.08Å
317I95.8Very high83.2Confident102 Ų10294.7 Ų94.752%0.52351%0.512SS..Hα-helixtrans-63.3-44.1172.6-72.1160.1000110.6S313 E314 H319 I320 V321S313-I317 WeakPolarHBondContact O-CB 3.43Å; S313-I317 WeakPolarHBondContact O-CD1 3.25Å; S313-I317 WeakPolarHBondContact O-CG1 3.45Å; S313-I317 PolarHBondContact O-N 3.2Å; E314-I317 PolarHBondContact O-N 3.03Å; I317-H319 VanDerWaalsContact C-N 3.29Å; I317-H319 PolarHBondContact O-N 2.85Å; I317-I320 PolarHBondContact O-N 3.06Å; I317-V321 HydrophobicContact CG2-CG2 4.42Å; I317-V321 WeakPolarHBondContact O-CB 3.27Å; I317-V321 VanDerWaalsContact O-CG2 3.31Å; I317-V321 WeakPolarHBondContact O-CG2 3.26Å; I317-V321 PolarHBondContact O-N 2.98Å
318Q95.4Very high85Confident87 Ų8791.6 Ų91.641%0.40750%0.495SS..Hα-helixtrans-61.1-38.5174.1-72.6167.217.300111.3E314 S315 S322E314-Q318 WeakPolarHBondContact O-CB 3.45Å; E314-Q318 WeakPolarHBondContact O-CG 3.37Å; E314-Q318 PolarHBondContact O-N 3.41Å; E314-Q318 PolarHBondContact OE1-NE2 2.94Å; S315-Q318 PolarHBondContact O-N 3.46Å; Q318-S322 VanDerWaalsContact O-CB 3.22Å; Q318-S322 WeakPolarHBondContact O-CB 3.47Å; Q318-S322 PolarHBondContact O-N 3.33Å
319H95.9Very high86.7Confident111 Ų11192.5 Ų92.551%0.51449%0.487SS..Hα-helixtrans-65.8-44174.7-175.6-145.7000112.3S315 F316 I317 S322 L323S315-H319 WeakPolarHBondContact O-CB 3.15Å; S315-H319 PolarHBondContact O-N 2.98Å; F316-H319 WeakPolarHBondContact O-CB 3.32Å; F316-H319 PolarHBondContact O-N 2.89Å; I317-H319 VanDerWaalsContact C-N 3.29Å; I317-H319 PolarHBondContact O-N 2.85Å; H319-S322 WeakPolarHBondContact O-CB 3.36Å; H319-S322 PolarHBondContact O-N 3.36Å; H319-L323 PolarHBondContact O-N 2.86Å
320I96.4Very high88.1Confident76 Ų7691.5 Ų91.539%0.3948%0.478SS..Hα-helixtrans-61.6-48174-69.4164.4000110.9F316 I317 S322 L323 V324F316-I320 HydrophobicContact CD1-CD1 3.85Å; F316-I320 HydrophobicContact CE1-CD1 3.49Å; F316-I320 VanDerWaalsContact CE1-CD1 3.49Å; F316-I320 HydrophobicContact CE2-CD1 4.22Å; F316-I320 HydrophobicContact CE2-CG1 4.46Å; F316-I320 HydrophobicContact CG-CD1 4.37Å; F316-I320 HydrophobicContact CZ-CD1 3.7Å; F316-I320 HydrophobicContact CZ-CG1 4.38Å; F316-I320 WeakPolarHBondContact O-CG1 3.46Å; F316-I320 PolarHBondContact O-N 3.08Å; I317-I320 PolarHBondContact O-N 3.06Å; I320-S322 VanDerWaalsContact C-N 3.27Å; I320-S322 PolarHBondContact O-N 2.99Å; I320-L323 PolarHBondContact O-N 2.9Å; I320-V324 HydrophobicContact CG2-CG2 4.37Å; I320-V324 WeakPolarHBondContact O-CG2 3.49Å; I320-V324 PolarHBondContact O-N 3.5Å
321V96.9Very high89.3Confident76 Ų7694.3 Ų94.346%0.46149%0.487SS..Hα-helixtrans-61.7-38.5178.6171.20000110.8I317 H325I317-V321 HydrophobicContact CG2-CG2 4.42Å; I317-V321 WeakPolarHBondContact O-CB 3.27Å; I317-V321 VanDerWaalsContact O-CG2 3.31Å; I317-V321 WeakPolarHBondContact O-CG2 3.26Å; I317-V321 PolarHBondContact O-N 2.98Å; V321-H325 WeakPolarHBondContact O-CB 3.35Å; V321-H325 PolarHBondContact O-N 3.05Å; V321-H325 PolarHBondContact O-ND1 3.19Å
322S95.6Very high90.3Very high72 Ų7299.2 Ų99.250%0.50350%0.502SS..Hα-helixtrans-64.4-44.7173.1-172.30000112Q318 H319 I320 V324 H325 H326Q318-S322 VanDerWaalsContact O-CB 3.22Å; Q318-S322 WeakPolarHBondContact O-CB 3.47Å; Q318-S322 PolarHBondContact O-N 3.33Å; H319-S322 WeakPolarHBondContact O-CB 3.36Å; H319-S322 PolarHBondContact O-N 3.36Å; I320-S322 VanDerWaalsContact C-N 3.27Å; I320-S322 PolarHBondContact O-N 2.99Å; S322-V324 PolarHBondContact O-N 3.24Å; S322-H325 PolarHBondContact O-N 2.82Å; S322-H326 WeakPolarHBondContact O-CB 3.17Å; S322-H326 PolarHBondContact O-N 3.33Å
323L96.4Very high90Very high93 Ų9399 Ų9949%0.48749%0.49SS..Hα-helixtrans-61.9-43.9175.7-119.872.5000112.1H319 I320 H326 V327H319-L323 PolarHBondContact O-N 2.86Å; I320-L323 PolarHBondContact O-N 2.9Å; L323-H326 PolarHBondContact O-N 3.26Å; L323-V327 WeakPolarHBondContact O-CB 3.25Å; L323-V327 WeakPolarHBondContact O-CG2 3.08Å; L323-V327 PolarHBondContact O-N 3.22Å
324V96Very high89.1Confident88 Ų8899.8 Ų99.853%0.53350%0.496SS..Hα-helixtrans-64-40.9177171.10000110.9I320 S322 K328I320-V324 HydrophobicContact CG2-CG2 4.37Å; I320-V324 WeakPolarHBondContact O-CG2 3.49Å; I320-V324 PolarHBondContact O-N 3.5Å; S322-V324 PolarHBondContact O-N 3.24Å; V324-K328 WeakPolarHBondContact O-CB 3.5Å; V324-K328 PolarHBondContact O-N 2.93Å
325H94.3Very high87.8Confident90 Ų90103 Ų10342%0.41752%0.523SS..Hα-helixtrans-65.9-44.2172.8-79.480.9000111.7V321 S322 V327 K328 E329V321-H325 WeakPolarHBondContact O-CB 3.35Å; V321-H325 PolarHBondContact O-N 3.05Å; V321-H325 PolarHBondContact O-ND1 3.19Å; S322-H325 PolarHBondContact O-N 2.82Å; H325-V327 PolarHBondContact O-N 3.46Å; H325-K328 CarbonylContact O-C 3.56Å; H325-K328 PolarHBondContact O-N 3.39Å; H325-E329 WeakPolarHBondContact O-CB 3.32Å; H325-E329 VanDerWaalsContact O-CG 3.3Å; H325-E329 WeakPolarHBondContact O-CG 3.3Å; H325-E329 PolarHBondContact O-N 2.64Å
326H93.9Very high86.6Confident109 Ų109103.4 Ų103.451%0.50553%0.53SS..Hα-helixtrans-60.5-46.7177.7-174.982.1000111.9S322 L323 E329 Q330S322-H326 WeakPolarHBondContact O-CB 3.17Å; S322-H326 PolarHBondContact O-N 3.33Å; L323-H326 PolarHBondContact O-N 3.26Å; H326-E329 CarbonylContact O-C 3.22Å; H326-E329 PolarHBondContact O-N 2.8Å; H326-E329 VanDerWaalsContact O-N 3.15Å; H326-Q330 WeakPolarHBondContact O-CB 3.31Å; H326-Q330 WeakPolarHBondContact O-CG 3.28Å; H326-Q330 PolarHBondContact O-N 2.88Å
327V94.2Very high85.8Confident63 Ų63101.3 Ų101.338%0.38253%0.527SS..Hα-helixtrans-64.3-45.3176.5170.80000111L323 H325 E329 Q330 Y331 F332L323-V327 WeakPolarHBondContact O-CB 3.25Å; L323-V327 WeakPolarHBondContact O-CG2 3.08Å; L323-V327 PolarHBondContact O-N 3.22Å; H325-V327 PolarHBondContact O-N 3.46Å; V327-E329 PolarHBondContact O-N 3.41Å; V327-Q330 PolarHBondContact O-N 3.48Å; V327-Y331 HydrophobicContact CB-CD2 4.49Å; V327-Y331 HydrophobicContact CG1-CD2 4.09Å; V327-Y331 WeakPolarHBondContact O-CB 3.39Å; V327-Y331 PolarHBondContact O-N 3.14Å; V327-F332 HydrophobicContact CG1-CE2 4.16Å
328K88.5Confident85.3Confident127 Ų12799.6 Ų99.655%0.55252%0.522SS*.Hα-helixtrans-56.9-38.5172.1-177-176.2175.9-171.70111.7V324 H325 F332 K333V324-K328 WeakPolarHBondContact O-CB 3.5Å; V324-K328 PolarHBondContact O-N 2.93Å; H325-K328 CarbonylContact O-C 3.56Å; H325-K328 PolarHBondContact O-N 3.39Å; K328-F332 HydrophobicContact CG-CB 4.43Å; K328-F332 CarbonylContact O-C 3.58Å; K328-F332 VanDerWaalsContact O-C 3.22Å; K328-F332 VanDerWaalsContact O-CA 3.26Å; K328-F332 WeakPolarHBondContact O-CA 3.31Å; K328-F332 VanDerWaalsContact O-CB 3.27Å; K328-F332 WeakPolarHBondContact O-CB 3.47Å; K328-F332 PolarHBondContact O-N 3.24Å; K328-F332 VanDerWaalsContact O-N 3.09Å; K328-K333 PolarHBondContact O-N 2.98Å; K328-K333 VanDerWaalsContact O-N 3.16Å
329E85.1Confident84.4Confident91 Ų91100.9 Ų100.943%0.42553%0.53SS..Hα-helixtrans-84.7-20.3-175.7-79.9-160.7-136.600115.4H325 H326 V327 K333H325-E329 WeakPolarHBondContact O-CB 3.32Å; H325-E329 VanDerWaalsContact O-CG 3.3Å; H325-E329 WeakPolarHBondContact O-CG 3.3Å; H325-E329 PolarHBondContact O-N 2.64Å; H326-E329 CarbonylContact O-C 3.22Å; H326-E329 PolarHBondContact O-N 2.8Å; H326-E329 VanDerWaalsContact O-N 3.15Å; V327-E329 PolarHBondContact O-N 3.41Å; E329-K333 WeakPolarHBondContact O-CB 3.48Å; E329-K333 WeakPolarHBondContact O-CD 3.4Å; E329-K333 VanDerWaalsContact O-CE 3.31Å; E329-K333 WeakPolarHBondContact O-CE 3.5Å; E329-K333 VanDerWaalsContact O-CG 3.25Å; E329-K333 WeakPolarHBondContact O-CG 3.46Å; E329-K333 PolarHBondContact O-NZ 2.8Å; E329-K333 VanDerWaalsContact OE2-CE 3.28Å; E329-K333 WeakPolarHBondContact OE2-CE 3.47Å; E329-K333 IonicContact OE2-NZ 2.77Å; E329-K333 PolarHBondContact OE2-NZ 3.05Å
330Q83.3Confident83.8Confident117 Ų117100.8 Ų100.855%0.54753%0.534SS..Hα-helixtrans-99.9-35.5176.4-62.3-55.5-46.100112.4H326 V327H326-Q330 WeakPolarHBondContact O-CB 3.31Å; H326-Q330 WeakPolarHBondContact O-CG 3.28Å; H326-Q330 PolarHBondContact O-N 2.88Å; V327-Q330 PolarHBondContact O-N 3.48Å
331Y81.3Confident83.2Confident184 Ų184101.9 Ų101.972%0.72254%0.537SS*.Hα-helixtrans-107.6-20.1-175.1-59.5-86.1000114V327V327-Y331 HydrophobicContact CB-CD2 4.49Å; V327-Y331 HydrophobicContact CG1-CD2 4.09Å; V327-Y331 WeakPolarHBondContact O-CB 3.39Å; V327-Y331 PolarHBondContact O-N 3.14Å
332F78.4Confident82.9Confident153 Ų153104.7 Ų104.767%0.67154%0.54SS*.SBendtrans-115.54.7178.9-57.9-101.3000113.8V327 K328 S334V327-F332 HydrophobicContact CG1-CE2 4.16Å; K328-F332 HydrophobicContact CG-CB 4.43Å; K328-F332 CarbonylContact O-C 3.58Å; K328-F332 VanDerWaalsContact O-C 3.22Å; K328-F332 VanDerWaalsContact O-CA 3.26Å; K328-F332 WeakPolarHBondContact O-CA 3.31Å; K328-F332 VanDerWaalsContact O-CB 3.27Å; K328-F332 WeakPolarHBondContact O-CB 3.47Å; K328-F332 PolarHBondContact O-N 3.24Å; K328-F332 VanDerWaalsContact O-N 3.09Å; F332-S334 VanDerWaalsContact C-N 3.29Å; F332-S334 PolarHBondContact O-N 3.28Å
333K69.5Low82.2Confident120 Ų120107.3 Ų107.352%0.52254%0.542SS..  trans-7387.3156.9-82.7-175.7-159.3147.40108.7K328 E329 P335K328-K333 PolarHBondContact O-N 2.98Å; K328-K333 VanDerWaalsContact O-N 3.16Å; E329-K333 WeakPolarHBondContact O-CB 3.48Å; E329-K333 WeakPolarHBondContact O-CD 3.4Å; E329-K333 VanDerWaalsContact O-CE 3.31Å; E329-K333 WeakPolarHBondContact O-CE 3.5Å; E329-K333 VanDerWaalsContact O-CG 3.25Å; E329-K333 WeakPolarHBondContact O-CG 3.46Å; E329-K333 PolarHBondContact O-NZ 2.8Å; E329-K333 VanDerWaalsContact OE2-CE 3.28Å; E329-K333 WeakPolarHBondContact OE2-CE 3.47Å; E329-K333 IonicContact OE2-NZ 2.77Å; E329-K333 PolarHBondContact OE2-NZ 3.05Å; K333-P335 VanDerWaalsContact O-CD 3.25Å; K333-P335 WeakPolarHBondContact O-CD 3.34Å
334S60.9Low81.6Confident83 Ų83105 Ų10558%0.5853%0.532SS*.  trans-65.8120.2165.555.40000109.4F332 A336F332-S334 VanDerWaalsContact C-N 3.29Å; F332-S334 PolarHBondContact O-N 3.28Å; S334-A336 PolarHBondContact O-N 3.04Å
335P63Low80.6Confident140 Ų140103.4 Ų103.491%0.90953%0.525SS*.  trans-73.20.2165.933.4-36.1000111.9K333K333-P335 VanDerWaalsContact O-CD 3.25Å; K333-P335 WeakPolarHBondContact O-CD 3.34Å
336A64.4Low79.5Confident63 Ų63107.5 Ų107.552%0.52154%0.538SS..SBendtrans-82123.7176.400000110.9S334 T338S334-A336 PolarHBondContact O-N 3.04Å; A336-T338 PolarHBondContact O-N 3.24Å
337V77.1Confident78.6Confident83 Ų83108.5 Ų108.550%0.50354%0.543SS..  trans-43.1124.3167.6-176.80000109.9E341 R342V337-E341 HydrophobicContact CG1-CB 3.37Å; V337-R342 HydrophobicContact CB-CG 4.18Å; V337-R342 HydrophobicContact CG1-CG 3.86Å; V337-R342 PolarHBondContact O-NE 3.19Å; V337-R342 VanDerWaalsContact O-NE 3.1Å
338T84.3Confident77.3Confident66 Ų66111.9 Ų111.941%0.40555%0.552SS.*  trans-59.6160-173.7630000111.2A336 N340 E341 R342A336-T338 PolarHBondContact O-N 3.24Å; T338-N340 PolarHBondContact O-N 3.25Å; T338-E341 VanDerWaalsContact CB-OE2 3.24Å; T338-E341 WeakPolarHBondContact CB-OE2 3.45Å; T338-E341 VanDerWaalsContact CG2-OE2 3.25Å; T338-E341 WeakPolarHBondContact CG2-OE2 3.33Å; T338-E341 PolarHBondContact N-OE2 2.91Å; T338-E341 PolarHBondContact O-N 2.92Å; T338-E341 WeakPolarHBondContact OG1-CB 3.37Å; T338-E341 VanDerWaalsContact OG1-CD 3.25Å; T338-E341 VanDerWaalsContact OG1-CG 3.24Å; T338-E341 WeakPolarHBondContact OG1-CG 3.17Å; T338-E341 PolarHBondContact OG1-N 3.32Å; T338-E341 VanDerWaalsContact OG1-N 3.14Å; T338-E341 PolarHBondContact OG1-OE2 2.95Å; T338-R342 PolarHBondContact O-N 2.92Å
339L77.9Confident75.9Confident113 Ų113108.5 Ų108.559%0.59255%0.548SS*.Hα-helixtrans-58.1-36.1176.4176.4142.9000111.7R342 F343L339-R342 PolarHBondContact O-N 3.42Å; L339-F343 HydrophobicContact CD1-CE2 4.31Å; L339-F343 HydrophobicContact CD2-CD2 3.73Å; L339-F343 HydrophobicContact CD2-CE2 3.71Å; L339-F343 HydrophobicContact CG-CD2 3.96Å; L339-F343 HydrophobicContact CG-CE2 3.79Å; L339-F343 WeakPolarHBondContact O-CD2 3.4Å; L339-F343 PolarHBondContact O-N 3.1Å
340N81.8Confident74.4Confident110 Ų110109.6 Ų109.659%0.58856%0.561SS**Hα-helixtrans-69.6-44.2175.6-172.553000112.9T338 R342 F343 T344T338-N340 PolarHBondContact O-N 3.25Å; N340-R342 VanDerWaalsContact C-N 3.27Å; N340-R342 PolarHBondContact O-N 3.47Å; N340-F343 PolarHBondContact O-N 2.74Å; N340-T344 PolarHBondContact O-N 3.23Å; N340-T344 PolarHBondContact O-OG1 2.88Å
341E84.9Confident73.1Confident98 Ų98111 Ų11146%0.45857%0.568SS.*Hα-helixtrans-63.4-34.3174.1-71.9161.6136.600111.7V337 T338 T344 S345V337-E341 HydrophobicContact CG1-CB 3.37Å; T338-E341 VanDerWaalsContact CB-OE2 3.24Å; T338-E341 WeakPolarHBondContact CB-OE2 3.45Å; T338-E341 VanDerWaalsContact CG2-OE2 3.25Å; T338-E341 WeakPolarHBondContact CG2-OE2 3.33Å; T338-E341 PolarHBondContact N-OE2 2.91Å; T338-E341 PolarHBondContact O-N 2.92Å; T338-E341 WeakPolarHBondContact OG1-CB 3.37Å; T338-E341 VanDerWaalsContact OG1-CD 3.25Å; T338-E341 VanDerWaalsContact OG1-CG 3.24Å; T338-E341 WeakPolarHBondContact OG1-CG 3.17Å; T338-E341 PolarHBondContact OG1-N 3.32Å; T338-E341 VanDerWaalsContact OG1-N 3.14Å; T338-E341 PolarHBondContact OG1-OE2 2.95Å; E341-T344 WeakPolarHBondContact CA-OG1 3.22Å; E341-T344 PolarHBondContact O-OG1 3.31Å; E341-S345 WeakPolarHBondContact O-CB 3.1Å; E341-S345 PolarHBondContact O-N 3.04Å; E341-S345 PolarHBondContact O-OG 3.5Å
342R89.3Confident71.5Confident135 Ų135110 Ų11051%0.50957%0.57SS.*Hα-helixtrans-64.4-50.6172.1-76.8-175.9-79.2156.3-0.6111.7V337 T338 L339 N340 T344 S345 Y346V337-R342 HydrophobicContact CB-CG 4.18Å; V337-R342 HydrophobicContact CG1-CG 3.86Å; V337-R342 PolarHBondContact O-NE 3.19Å; V337-R342 VanDerWaalsContact O-NE 3.1Å; T338-R342 PolarHBondContact O-N 2.92Å; L339-R342 PolarHBondContact O-N 3.42Å; N340-R342 VanDerWaalsContact C-N 3.27Å; N340-R342 PolarHBondContact O-N 3.47Å; R342-T344 PolarHBondContact O-N 2.89Å; R342-S345 PolarHBondContact O-N 2.92Å; R342-S345 PolarHBondContact O-OG 3.49Å; R342-Y346 WeakPolarHBondContact O-CD2 3.48Å; R342-Y346 PolarHBondContact O-N 2.9Å
343F81.6Confident69.8Low128 Ų128109.6 Ų109.656%0.56157%0.569SS**Hα-helixtrans-60.8-43.8176.9-82.3-65000113.1L339 N340 Y346 Q347L339-F343 HydrophobicContact CD1-CE2 4.31Å; L339-F343 HydrophobicContact CD2-CD2 3.73Å; L339-F343 HydrophobicContact CD2-CE2 3.71Å; L339-F343 HydrophobicContact CG-CD2 3.96Å; L339-F343 HydrophobicContact CG-CE2 3.79Å; L339-F343 WeakPolarHBondContact O-CD2 3.4Å; L339-F343 PolarHBondContact O-N 3.1Å; N340-F343 PolarHBondContact O-N 2.74Å; F343-Y346 PolarHBondContact O-N 3.17Å; F343-Q347 PolarHBondContact O-N 3.32Å
344T84.2Confident68.5Low43 Ų43108.6 Ų108.626%0.26458%0.578SS.*Hα-helixtrans-71.9-2717753.40000113.2N340 E341 R342 Y346 Q347 K348N340-T344 PolarHBondContact O-N 3.23Å; N340-T344 PolarHBondContact O-OG1 2.88Å; E341-T344 WeakPolarHBondContact CA-OG1 3.22Å; E341-T344 PolarHBondContact O-OG1 3.31Å; R342-T344 PolarHBondContact O-N 2.89Å; T344-Y346 VanDerWaalsContact C-N 3.33Å; T344-Y346 PolarHBondContact O-N 3.4Å; T344-Q347 PolarHBondContact O-N 3.16Å; T344-K348 WeakPolarHBondContact O-CG 3.38Å; T344-K348 PolarHBondContact O-N 2.83Å
345S74.8Confident67.7Low56 Ų56109.8 Ų109.839%0.39258%0.581SS.*Hα-helixtrans-65-35.2172.672.70000112.3E341 R342 A349E341-S345 WeakPolarHBondContact O-CB 3.1Å; E341-S345 PolarHBondContact O-N 3.04Å; E341-S345 PolarHBondContact O-OG 3.5Å; R342-S345 PolarHBondContact O-N 2.92Å; R342-S345 PolarHBondContact O-OG 3.49Å; S345-A349 WeakPolarHBondContact O-CB 3.12Å; S345-A349 PolarHBondContact O-N 2.86Å
346Y72.1Confident67.1Low176 Ų176113.1 Ų113.169%0.6958%0.576SS**Hα-helixtrans-67.2-39.1173-73.3-67.4000112R342 F343 T344 A349 T350R342-Y346 WeakPolarHBondContact O-CD2 3.48Å; R342-Y346 PolarHBondContact O-N 2.9Å; F343-Y346 PolarHBondContact O-N 3.17Å; T344-Y346 VanDerWaalsContact C-N 3.33Å; T344-Y346 PolarHBondContact O-N 3.4Å; Y346-A349 PolarHBondContact O-N 2.94Å; Y346-T350 PolarHBondContact O-N 3.28Å; Y346-T350 VanDerWaalsContact O-N 3.09Å; Y346-T350 PolarHBondContact O-OG1 3.48Å
347Q73.8Confident66.5Low130 Ų130118.1 Ų118.161%0.60759%0.588SS**Hα-helixtrans-65.2-44.6176.3-66.8173.7-10.200111.6F343 T344 T350 E351F343-Q347 PolarHBondContact O-N 3.32Å; T344-Q347 PolarHBondContact O-N 3.16Å; Q347-T350 PolarHBondContact O-N 3.15Å; Q347-T350 PolarHBondContact O-OG1 2.85Å; Q347-E351 PolarHBondContact O-N 3.09Å
348K67.6Low65.6Low134 Ų134123 Ų12358%0.58360%0.603SS**Hα-helixtrans-68.4-35.3176.1-68.5-179.7177.3-171.80112.7T344 T350 E351 E352T344-K348 WeakPolarHBondContact O-CG 3.38Å; T344-K348 PolarHBondContact O-N 2.83Å; K348-T350 VanDerWaalsContact C-N 3.26Å; K348-T350 PolarHBondContact O-N 2.75Å; K348-E351 WeakPolarHBondContact O-CB 3.35Å; K348-E351 PolarHBondContact O-N 2.77Å; K348-E352 PolarHBondContact O-N 2.83Å
349A59.3Low64.4Low56 Ų56124.9 Ų124.946%0.46362%0.619SS.*Hα-helixtrans-66.6-25.3173.300000113.1S345 Y346 E351S345-A349 WeakPolarHBondContact O-CB 3.12Å; S345-A349 PolarHBondContact O-N 2.86Å; Y346-A349 PolarHBondContact O-N 2.94Å; A349-E351 VanDerWaalsContact C-N 3.3Å
350T53.4Low63.8Low114 Ų114125.1 Ų125.170%0.69963%0.627SS**Hα-helixtrans-77.4-13.1168.746.40000114Y346 Q347 K348Y346-T350 PolarHBondContact O-N 3.28Å; Y346-T350 VanDerWaalsContact O-N 3.09Å; Y346-T350 PolarHBondContact O-OG1 3.48Å; Q347-T350 PolarHBondContact O-N 3.15Å; Q347-T350 PolarHBondContact O-OG1 2.85Å; K348-T350 VanDerWaalsContact C-N 3.26Å; K348-T350 PolarHBondContact O-N 2.75Å
351E55.6Low63.4Low147 Ų147127.4 Ų127.469%0.68763%0.634SS**Hα-helixtrans-94.6-50.7-178.1-164.7168-152.800111.7Q347 K348 A349 H353Q347-E351 PolarHBondContact O-N 3.09Å; K348-E351 WeakPolarHBondContact O-CB 3.35Å; K348-E351 PolarHBondContact O-N 2.77Å; A349-E351 VanDerWaalsContact C-N 3.3Å; E351-H353 VanDerWaalsContact C-N 3.27Å; E351-H353 PolarHBondContact O-N 3.37Å
352E47.3Very low62.7Low162 Ų162128.6 Ų128.676%0.75764%0.643SS**THydrogen-bonded Turntrans-73.4-9.2-177.7-68.1-164.6150.200114.9K348K348-E352 PolarHBondContact O-N 2.83Å
353H42.9Very low61.5Low144 Ų144129.9 Ų129.967%0.66765%0.654SS**THydrogen-bonded Turntrans-121.434.7-175.4-70-4.3000114.1E351 T355E351-H353 VanDerWaalsContact C-N 3.27Å; E351-H353 PolarHBondContact O-N 3.37Å; H353-T355 PolarHBondContact O-N 2.68Å
354S41.8Very low60.9Low100 Ų100133 Ų13370%0.69966%0.662SS**  trans-66-7.317162.90000114.6R356S354-R356 PolarHBondContact O-N 2.87Å
355T45.3Very low60.3Low107 Ų107141 Ų14166%0.65669%0.687SS**SBendtrans-71.432.9175.849.70000114.7H353 Q357H353-T355 PolarHBondContact O-N 2.68Å; T355-Q357 VanDerWaalsContact C-N 3.33Å; T355-Q357 PolarHBondContact O-N 3.44Å
356R49.5Very low60.4Low211 Ų211144.5 Ų144.580%0.79670%0.7SS**  trans36.353.1158-155.7177.2-169.8-103.42.1115.4S354 K358S354-R356 PolarHBondContact O-N 2.87Å; R356-K358 PolarHBondContact O-N 3.23Å; R356-K358 VanDerWaalsContact O-N 3.1Å
357Q52.5Low60.4Low167 Ų167143.3 Ų143.378%0.7871%0.706SS**  trans-57.3118.5163.2-70.4-60.4-22.900108T355 S359T355-Q357 VanDerWaalsContact C-N 3.33Å; T355-Q357 PolarHBondContact O-N 3.44Å; Q357-S359 PolarHBondContact O-N 3.16Å; Q357-S359 VanDerWaalsContact O-N 3.08Å
358K58.7Low60.7Low187 Ų187141.9 Ų141.981%0.81370%0.702SS**  trans-62.5115.9-170.2-63.9167.3-173.8170.80107.9R356R356-K358 PolarHBondContact O-N 3.23Å; R356-K358 VanDerWaalsContact O-N 3.1Å
359S57.8Low61Low105 Ų105138.9 Ų138.973%0.73470%0.697SS**  trans-51.6140179.5-47.30000109.9Q357 E361Q357-S359 PolarHBondContact O-N 3.16Å; Q357-S359 VanDerWaalsContact O-N 3.08Å; S359-E361 PolarHBondContact O-N 3.49Å; S359-E361 VanDerWaalsContact O-N 3.08Å
360P66.3Low61.4Low118 Ų118140.8 Ų140.877%0.76671%0.705SS**  trans-50.5120.1-179.9-28.535.3000110.8I362P360-I362 WeakPolarHBondContact O-CG1 3.3Å; P360-I362 PolarHBondContact O-N 3.49Å
361E73.4Confident62Low157 Ų157138.7 Ų138.773%0.73470%0.695SS**  trans-66.7109.3-171.8-174.5164.7169.900109.9S359 H363S359-E361 PolarHBondContact O-N 3.49Å; S359-E361 VanDerWaalsContact O-N 3.08Å; E361-H363 VanDerWaalsContact C-N 3.29Å; E361-H363 PolarHBondContact O-N 3.37Å; E361-H363 PolarHBondContact O-ND1 3.25Å
362I70.1Confident62.6Low124 Ų124133.8 Ų133.864%0.63668%0.679SS**  trans-77.686.2-177.8-39.6179.5000107.8P360 R364 R365P360-I362 WeakPolarHBondContact O-CG1 3.3Å; P360-I362 PolarHBondContact O-N 3.49Å; I362-R364 HydrophobicContact CG2-CB 3.99Å; I362-R364 CarbonylContact O-C 3.22Å; I362-R364 VanDerWaalsContact O-C 3.22Å; I362-R364 PolarHBondContact O-N 3.26Å; I362-R365 PolarHBondContact O-N 2.99Å
363H62.7Low63.3Low161 Ų161132 Ų13275%0.74567%0.674SS**SBendtrans-54.2-15.4176-66.5102.2000113.7E361 R365E361-H363 VanDerWaalsContact C-N 3.29Å; E361-H363 PolarHBondContact O-N 3.37Å; E361-H363 PolarHBondContact O-ND1 3.25Å; H363-R365 PolarHBondContact O-N 3.44Å
364R70.9Confident64.5Low195 Ų195133.1 Ų133.174%0.73667%0.673SS**SBendtrans-70.273.8158.4-59.2175.261-107.7-1.5110.1I362 I366I362-R364 HydrophobicContact CG2-CB 3.99Å; I362-R364 CarbonylContact O-C 3.22Å; I362-R364 VanDerWaalsContact O-C 3.22Å; I362-R364 PolarHBondContact O-N 3.26Å; R364-I366 PolarHBondContact O-N 3.39Å
365R71.6Confident65.6Low209 Ų209136 Ų13679%0.78967%0.673SS**  trans-52.1122.5166.7-62.3172.176.3159.93.8107.5I362 H363 D367I362-R365 PolarHBondContact O-N 2.99Å; H363-R365 PolarHBondContact O-N 3.44Å; R365-D367 PolarHBondContact O-N 3.16Å
366I76Confident66Low131 Ų131138.3 Ų138.367%0.67268%0.676SS**  trans-82.1102.4177.6-58.6177.7000106.3R364 I368R364-I366 PolarHBondContact O-N 3.39Å; I366-I368 HydrophobicContact CG2-CB 3.96Å; I366-I368 HydrophobicContact CG2-CD1 3.9Å; I366-I368 HydrophobicContact CG2-CG1 3.85Å; I366-I368 PolarHBondContact O-N 2.72Å
367D72.6Confident66.1Low150 Ų150133.6 Ų133.680%0.80267%0.671SS**  trans-73.329.7-176.3-61.4-39.7000113.7R365R365-D367 PolarHBondContact O-N 3.16Å
368I79.6Confident65.9Low101 Ų101135.9 Ų135.952%0.51867%0.672SS.*  trans-100.4101.5173.4-56.5175.4000107.3I366 A372I366-I368 HydrophobicContact CG2-CB 3.96Å; I366-I368 HydrophobicContact CG2-CD1 3.9Å; I366-I368 HydrophobicContact CG2-CG1 3.85Å; I366-I368 PolarHBondContact O-N 2.72Å; I368-A372 HydrophobicContact CG2-CB 3.91Å
369S73.9Confident65.6Low71 Ų71133.9 Ų133.950%0.49767%0.67SS.*  trans-58.2143.5179.7-46.80000111.8S371 A372S369-S371 WeakPolarHBondContact CB-OG 3.42Å; S369-S371 PolarHBondContact O-N 2.9Å; S369-A372 WeakPolarHBondContact O-CB 3.41Å; S369-A372 PolarHBondContact O-N 2.99Å
370P68.3Low65.1Low96 Ų96133.6 Ų133.662%0.62367%0.673SS**THydrogen-bonded Turntrans-61.52.4175.8-2635.7000116.3R374P370-R374 PolarHBondContact O-NE 3.06Å; P370-R374 VanDerWaalsContact O-NE 3.13Å; P370-R374 PolarHBondContact O-NH2 3.07Å
371S65.9Low64Low70 Ų70130.7 Ų130.749%0.4967%0.665SS.*THydrogen-bonded Turntrans-89.4-27.916952.70000113S369 R374S369-S371 WeakPolarHBondContact CB-OG 3.42Å; S369-S371 PolarHBondContact O-N 2.9Å; S371-R374 WeakPolarHBondContact O-CB 3.42Å; S371-R374 PolarHBondContact O-N 2.88Å
372A68.3Low62.3Low43 Ų43132.3 Ų132.336%0.35567%0.672SS.*THydrogen-bonded Turntrans-68.6-48.8-178.300000111.8I368 S369 R374 K375I368-A372 HydrophobicContact CG2-CB 3.91Å; S369-A372 WeakPolarHBondContact O-CB 3.41Å; S369-A372 PolarHBondContact O-N 2.99Å; A372-R374 PolarHBondContact O-N 3.07Å; A372-R374 VanDerWaalsContact O-N 3.16Å; A372-K375 PolarHBondContact O-N 3.29Å
373L62.3Low60.9Low124 Ų124134 Ų13465%0.64968%0.678SS**Hα-helixtrans-54.5-35.3173.9-62.1175.7000111.9K375 H376 T377L373-K375 PolarHBondContact O-N 2.87Å; L373-H376 PolarHBondContact O-N 3.43Å; L373-T377 PolarHBondContact O-OG1 3.24Å
374R67.7Low59.8Low169 Ų169138.1 Ų138.164%0.63869%0.687SS**Hα-helixtrans-69.9-13.1-178.4-128.9174.5-61.8-153.5-0.8114.5P370 S371 A372P370-R374 PolarHBondContact O-NE 3.06Å; P370-R374 VanDerWaalsContact O-NE 3.13Å; P370-R374 PolarHBondContact O-NH2 3.07Å; S371-R374 WeakPolarHBondContact O-CB 3.42Å; S371-R374 PolarHBondContact O-N 2.88Å; A372-R374 PolarHBondContact O-N 3.07Å; A372-R374 VanDerWaalsContact O-N 3.16Å
375K64.6Low57.9Low161 Ų161131.4 Ų131.470%0.768%0.678SS**Hα-helixtrans-85.1-33.1178.5-69-170.3176.9-173.80113.2A372 L373A372-K375 PolarHBondContact O-N 3.29Å; L373-K375 PolarHBondContact O-N 2.87Å
376H54Low55.8Low154 Ų154131 Ų13171%0.71368%0.682SS**Hα-helixtrans-74.8-34.2179.9-89.6-81.3000113.5L373 R378 L379L373-H376 PolarHBondContact O-N 3.43Å; H376-R378 PolarHBondContact O-N 3.38Å; H376-R378 VanDerWaalsContact O-N 3.08Å; H376-L379 PolarHBondContact O-N 2.87Å
377T51.6Low54Low113 Ų113132.3 Ų132.369%0.69368%0.683SS**THydrogen-bonded Turntrans-62.3-17.8179-37.30000113.6L373L373-T377 PolarHBondContact O-OG1 3.24Å
378R48.8Very low52.3Low215 Ų215133.4 Ų133.481%0.81168%0.683SS**THydrogen-bonded Turntrans-93.71.7-178.5-70.5-167.1173.1-148-2.6115.1H376H376-R378 PolarHBondContact O-N 3.38Å; H376-R378 VanDerWaalsContact O-N 3.08Å
379L51.6Low50.1Low145 Ų145135.3 Ų135.376%0.75969%0.69SS**SBendtrans-105.510179.1-62.6178.2000113.5H376H376-L379 PolarHBondContact O-N 2.87Å
380A47.5Very low48.6Very low98 Ų98139.4 Ų139.481%0.8171%0.705SS**SBendtrans-96.410.5-179.500000114.1
381G43Very low47.3Very low58 Ų58142.5 Ų142.560%0.59871%0.711SS**SBendtrans-155.4138.8-179.200000113.5
382E37Very low46.3Very low190 Ų190148.9 Ų148.989%0.88873%0.73SS**  trans56.6103.3170.7-68.6-166.6107.300120.8
383E41.5Very low44.9Very low159 Ų159150 Ų15074%0.74375%0.745SS**  5598.4118.9-62.7-54.3138.400121.1
384R38.5Very low44Very low249 Ų249150.5 Ų150.594%0.9475%0.749SS**  -164.8133.2120.7-111.1173-101.8-147-4109.8
385G30.8Very low43.1Very low53 Ų53151.6 Ų151.655%0.54676%0.758SS.*  cis117.2122.91.500000111.3
386F28.5Very low42.8Very low200 Ų200152.2 Ų152.288%0.87776%0.761SS**  trans68.3138.7-167.7-94.1-125.6000114.7
387K37.6Very low42.9Very low159 Ų159151.2 Ų151.269%0.69176%0.76SS**  cis-151.6159.62.4-163.1-170.5175.7-154.40110.4
388E37.5Very low43.2Very low173 Ų173156.8 Ų156.881%0.80877%0.768SS**  trans74.3130176.6-130127.2-106.500112.7
389E33.1Very low43.5Very low141 Ų141149 Ų14966%0.65975%0.746SS**  cis-133.6147.615.8-177.7-177.2179.400111.4Q391E389-Q391 HydrophobicContact CG-CG 4.28Å; E389-Q391 WeakPolarHBondContact OE1-CG 3.42Å; E389-Q391 PolarHBondContact OE1-NE2 3.33Å
390I42.8Very low44.2Very low157 Ų157147.3 Ų147.381%0.80574%0.738SS**  trans-107.2100.4170.3-58.1177.4000109.5
391Q41.3Very low45.2Very low161 Ų161147.6 Ų147.675%0.75273%0.734SS**  trans-110139.3156-64.1-155.334.800110.5E389E389-Q391 HydrophobicContact CG-CG 4.28Å; E389-Q391 WeakPolarHBondContact OE1-CG 3.42Å; E389-Q391 PolarHBondContact OE1-NE2 3.33Å
392K43.5Very low46.8Very low204 Ų204148.7 Ų148.789%0.88774%0.737SS**  trans-98.1148.2-176.1-64179.7179.8178.70110.4
393G40.6Very low49.1Very low66 Ų66142 Ų14268%0.6871%0.708SS**SBendtrans136.8123.5170.100000111.5K395G393-K395 PolarHBondContact O-N 2.83Å; G393-K395 VanDerWaalsContact O-N 3.1Å
394D42.9Very low51.4Low136 Ų136140.2 Ų140.273%0.72770%0.703SS**  trans32.864160.9-7527.9000117.2K396D394-K396 PolarHBondContact O-N 2.96Å
395K47.8Very low53.9Low192 Ų192137.9 Ų137.984%0.83569%0.694SS**  trans-65.967.9145.7-71-172.7-179.2-179.20109.5G393 L397G393-K395 PolarHBondContact O-N 2.83Å; G393-K395 VanDerWaalsContact O-N 3.1Å; K395-L397 PolarHBondContact O-N 3.17Å
396K59.9Low56.5Low173 Ų173139.4 Ų139.475%0.75269%0.687SS**  trans-60.890.2144.2-69.9-178.4-175.1173.80104.5D394 R398D394-K396 PolarHBondContact O-N 2.96Å; K396-R398 PolarHBondContact O-N 2.84Å; K396-R398 VanDerWaalsContact O-N 3.08Å
397L56.2Low59.4Low133 Ų133132.2 Ų132.270%0.69666%0.657SS**  trans-45.2123.6173.2-68.2173.5000106K395 C399K395-L397 PolarHBondContact O-N 3.17Å; L397-C399 PolarHBondContact O-N 3.3Å
398R56.9Low61.9Low231 Ų231128.5 Ų128.587%0.87264%0.644SS**  trans-62.694.5177.6-110.7-73.5-173.3173.31.8105.5K396 D400K396-R398 PolarHBondContact O-N 2.84Å; K396-R398 VanDerWaalsContact O-N 3.08Å; R398-D400 PolarHBondContact O-N 2.92Å
399C55.7Low64.2Low50 Ų50124 Ų12434%0.33863%0.625SS.*  trans-54.3114.4170.6-63.10000105.1L397 S401L397-C399 PolarHBondContact O-N 3.3Å; C399-S401 PolarHBondContact O-N 3.2Å
400D66.3Low66.9Low110 Ų110123.7 Ų123.759%0.58862%0.618SS**  trans-53.8129.2170.5-174.6-9.4000106.3R398 A402 D403R398-D400 PolarHBondContact O-N 2.92Å; D400-A402 PolarHBondContact O-N 2.79Å; D400-A402 PolarHBondContact OD1-N 3.1Å; D400-D403 HydrophobicContact CB-CB 4.12Å; D400-D403 PolarHBondContact O-N 2.85Å
401S68.6Low68.8Low104 Ų104123.1 Ų123.173%0.72761%0.606SS**THydrogen-bonded Turntrans-72.5-4.7-178.5-54.20000111.5C399C399-S401 PolarHBondContact O-N 3.2Å
402A76.7Confident70.9Confident81 Ų81122.9 Ų122.967%0.66960%0.598SS**THydrogen-bonded Turntrans-100.8-1.4165.100000114.6D400 L404D400-A402 PolarHBondContact O-N 2.79Å; D400-A402 PolarHBondContact OD1-N 3.1Å; A402-L404 PolarHBondContact O-N 3.04Å
403D85.4Confident72.7Confident50 Ų50120 Ų12027%0.26759%0.586SS.*  trans-73.596.2177.7178.428.8000112D400 R405 H406 D407D400-D403 HydrophobicContact CB-CB 4.12Å; D400-D403 PolarHBondContact O-N 2.85Å; D403-R405 PolarHBondContact O-N 2.78Å; D403-R405 WeakPolarHBondContact OD1-CB 3.38Å; D403-R405 PolarHBondContact OD1-N 3.25Å; D403-H406 HydrophobicContact CB-CB 4.47Å; D403-H406 PolarHBondContact O-N 3.03Å; D403-H406 WeakPolarHBondContact OD2-CB 2.94Å; D403-H406 IonicContact OD2-CD2 3.03Å; D403-H406 PolarHBondContact OD2-CD2 3.49Å; D403-H406 IonicContact OD2-CG 3.33Å; D403-H406 PolarHBondContact OD2-N 2.84Å; D403-H406 VanDerWaalsContact OD2-N 3.16Å; D403-D407 PolarHBondContact O-N 2.85Å
404L89.2Confident74.1Confident121 Ų121122.7 Ų122.763%0.63458%0.581SS**Hα-helixtrans-60-23.5177-171.761000113.2A402 I408A402-L404 PolarHBondContact O-N 3.04Å; L404-I408 HydrophobicContact CD1-CD1 4.29Å; L404-I408 HydrophobicContact CD1-CG1 4.19Å; L404-I408 HydrophobicContact CD2-CD1 4.5Å; L404-I408 HydrophobicContact CG-CD1 3.87Å; L404-I408 HydrophobicContact CG-CG1 4.25Å; L404-I408 VanDerWaalsContact O-CB 3.29Å; L404-I408 WeakPolarHBondContact O-CB 3.43Å; L404-I408 WeakPolarHBondContact O-CD1 3.38Å; L404-I408 WeakPolarHBondContact O-CG1 3.23Å; L404-I408 PolarHBondContact O-N 2.92Å
405R90.8Very high75.4Confident201 Ų201124.3 Ų124.376%0.75858%0.576SS**Hα-helixtrans-65.4-55.2172.1-86.6179.4164.6165.7-4110.6D403 D407 I408 D409D403-R405 PolarHBondContact O-N 2.78Å; D403-R405 WeakPolarHBondContact OD1-CB 3.38Å; D403-R405 PolarHBondContact OD1-N 3.25Å; R405-D407 PolarHBondContact O-N 3.24Å; R405-I408 PolarHBondContact O-N 3.5Å; R405-D409 PolarHBondContact O-N 3.21Å
406H86.3Confident75.9Confident85 Ų85119 Ų11939%0.39456%0.564SS.*Hα-helixtrans-59.2-35.5176.6-83-44000112.6D403 D409 R410D403-H406 HydrophobicContact CB-CB 4.47Å; D403-H406 PolarHBondContact O-N 3.03Å; D403-H406 WeakPolarHBondContact OD2-CB 2.94Å; D403-H406 IonicContact OD2-CD2 3.03Å; D403-H406 PolarHBondContact OD2-CD2 3.49Å; D403-H406 IonicContact OD2-CG 3.33Å; D403-H406 PolarHBondContact OD2-N 2.84Å; D403-H406 VanDerWaalsContact OD2-N 3.16Å; H406-D409 PolarHBondContact O-N 3.45Å; H406-R410 VanDerWaalsContact O-CB 3.28Å; H406-R410 WeakPolarHBondContact O-CB 3.31Å; H406-R410 PolarHBondContact O-N 2.97Å
407D87.5Confident75.9Confident48 Ų48117.4 Ų117.426%0.25756%0.557SS.*Hα-helixtrans-75.5-33.1178.3-110.635.1000114.4D403 R405 R410 R411D403-D407 PolarHBondContact O-N 2.85Å; R405-D407 PolarHBondContact O-N 3.24Å; D407-R410 IonicContact OD1-CZ 3.15Å; D407-R410 IonicContact OD1-NE 2.77Å; D407-R410 PolarHBondContact OD1-NE 2.84Å; D407-R410 IonicContact OD1-NH2 2.69Å; D407-R410 PolarHBondContact OD1-NH2 3.19Å; D407-R411 VanDerWaalsContact O-CB 3.27Å; D407-R411 WeakPolarHBondContact O-CB 3.24Å; D407-R411 PolarHBondContact O-N 2.68Å
408I90.1Very high75.7Confident81 Ų81118.2 Ų118.242%0.41556%0.557SS.*Hα-helixtrans-63-44.7167.8-74.7167.4000110L404 R405 R411 R412L404-I408 HydrophobicContact CD1-CD1 4.29Å; L404-I408 HydrophobicContact CD1-CG1 4.19Å; L404-I408 HydrophobicContact CD2-CD1 4.5Å; L404-I408 HydrophobicContact CG-CD1 3.87Å; L404-I408 HydrophobicContact CG-CG1 4.25Å; L404-I408 VanDerWaalsContact O-CB 3.29Å; L404-I408 WeakPolarHBondContact O-CB 3.43Å; L404-I408 WeakPolarHBondContact O-CD1 3.38Å; L404-I408 WeakPolarHBondContact O-CG1 3.23Å; L404-I408 PolarHBondContact O-N 2.92Å; R405-I408 PolarHBondContact O-N 3.5Å; I408-R411 PolarHBondContact O-N 3.15Å; I408-R412 WeakPolarHBondContact O-CB 3.3Å; I408-R412 PolarHBondContact O-N 3.27Å
409D87.5Confident75.6Confident78 Ų78117.9 Ų117.942%0.41756%0.556SS.*Hα-helixtrans-68.6-37.4178-85.4-34.1000112.9R405 H406 R412 K413R405-D409 PolarHBondContact O-N 3.21Å; H406-D409 PolarHBondContact O-N 3.45Å; D409-R412 PolarHBondContact O-N 2.84Å; D409-R412 IonicContact OD1-CZ 2.72Å; D409-R412 IonicContact OD1-NE 2.78Å; D409-R412 IonicContact OD1-NH1 3.7Å; D409-R412 PolarHBondContact OD1-NH1 3.38Å; D409-K413 VanDerWaalsContact O-CB 3.24Å; D409-K413 WeakPolarHBondContact O-CB 3.45Å; D409-K413 PolarHBondContact O-N 3.44Å
410R88.5Confident75.5Confident136 Ų136118.1 Ų118.151%0.51357%0.566SS.*Hα-helixtrans-57.6-54.1172.6-165.8-162.2-46-92.62.5110.2H406 D407 R412 K413 E414H406-R410 VanDerWaalsContact O-CB 3.28Å; H406-R410 WeakPolarHBondContact O-CB 3.31Å; H406-R410 PolarHBondContact O-N 2.97Å; D407-R410 IonicContact OD1-CZ 3.15Å; D407-R410 IonicContact OD1-NE 2.77Å; D407-R410 PolarHBondContact OD1-NE 2.84Å; D407-R410 IonicContact OD1-NH2 2.69Å; D407-R410 PolarHBondContact OD1-NH2 3.19Å; R410-R412 VanDerWaalsContact C-N 3.35Å; R410-R412 PolarHBondContact O-N 2.89Å; R410-K413 PolarHBondContact O-N 3.04Å; R410-E414 WeakPolarHBondContact O-CB 3.5Å; R410-E414 PolarHBondContact O-N 3.03Å
411R83.5Confident74.5Confident144 Ų144119.7 Ų119.754%0.54358%0.575SS.*Hα-helixtrans-66.6-33.1-178.9-163.2-178.2-56-122.7-0.6112.8D407 I408 R415D407-R411 VanDerWaalsContact O-CB 3.27Å; D407-R411 WeakPolarHBondContact O-CB 3.24Å; D407-R411 PolarHBondContact O-N 2.68Å; I408-R411 PolarHBondContact O-N 3.15Å; R411-R415 WeakPolarHBondContact O-CB 3.39Å; R411-R415 VanDerWaalsContact O-CG 3.32Å; R411-R415 WeakPolarHBondContact O-CG 3.46Å; R411-R415 PolarHBondContact O-N 3.2Å
412R85.5Confident73.4Confident156 Ų156119.7 Ų119.759%0.58958%0.575SS**Hα-helixtrans-65.7-44.6171.8-177.9-172.7-64.5161.6-6.2111.1I408 D409 R410 S416I408-R412 WeakPolarHBondContact O-CB 3.3Å; I408-R412 PolarHBondContact O-N 3.27Å; D409-R412 PolarHBondContact O-N 2.84Å; D409-R412 IonicContact OD1-CZ 2.72Å; D409-R412 IonicContact OD1-NE 2.78Å; D409-R412 IonicContact OD1-NH1 3.7Å; D409-R412 PolarHBondContact OD1-NH1 3.38Å; R410-R412 VanDerWaalsContact C-N 3.35Å; R410-R412 PolarHBondContact O-N 2.89Å; R412-S416 WeakPolarHBondContact O-CB 3.27Å; R412-S416 PolarHBondContact O-N 3.23Å; R412-S416 VanDerWaalsContact O-N 3.1Å
413K81.6Confident71.9Confident144 Ų144123.9 Ų123.963%0.62658%0.578SS**Hα-helixtrans-70.4-37.5180-164.7166.6-173.4170.10112.1D409 R410 S416 K417D409-K413 VanDerWaalsContact O-CB 3.24Å; D409-K413 WeakPolarHBondContact O-CB 3.45Å; D409-K413 PolarHBondContact O-N 3.44Å; R410-K413 PolarHBondContact O-N 3.04Å; K413-S416 WeakPolarHBondContact CA-OG 3.3Å; K413-S416 PolarHBondContact O-N 3.21Å; K413-S416 PolarHBondContact O-OG 3.07Å; K413-K417 PolarHBondContact O-N 3.41Å
414E70.3Confident69.5Low123 Ų123123.8 Ų123.858%0.57559%0.588SS**Hα-helixtrans-61.4-54.4172.2-176.9172.7-13500111.9R410 S416 K417 E418R410-E414 WeakPolarHBondContact O-CB 3.5Å; R410-E414 PolarHBondContact O-N 3.03Å; E414-S416 PolarHBondContact O-N 2.78Å; E414-S416 VanDerWaalsContact O-N 3.1Å; E414-K417 WeakPolarHBondContact O-CB 3.41Å; E414-K417 PolarHBondContact O-N 2.8Å; E414-E418 PolarHBondContact O-N 3.31Å; E414-E418 VanDerWaalsContact O-N 3.17Å
415R68.8Low67.3Low169 Ų169119.9 Ų119.964%0.63857%0.571SS**Hα-helixtrans-62.3-18.3175.2-72.5177.7172.4-146.1-7.6114.4R411R411-R415 WeakPolarHBondContact O-CB 3.39Å; R411-R415 VanDerWaalsContact O-CG 3.32Å; R411-R415 WeakPolarHBondContact O-CG 3.46Å; R411-R415 PolarHBondContact O-N 3.2Å
416S59.1Low65.1Low81 Ų81118.6 Ų118.657%0.56657%0.566SS**Hα-helixtrans-82.5-18.8172.175.10000113.9R412 K413 E414R412-S416 WeakPolarHBondContact O-CB 3.27Å; R412-S416 PolarHBondContact O-N 3.23Å; R412-S416 VanDerWaalsContact O-N 3.1Å; K413-S416 WeakPolarHBondContact CA-OG 3.3Å; K413-S416 PolarHBondContact O-N 3.21Å; K413-S416 PolarHBondContact O-OG 3.07Å; E414-S416 PolarHBondContact O-N 2.78Å; E414-S416 VanDerWaalsContact O-N 3.1Å
417K60Low62.7Low140 Ų140121.6 Ų121.661%0.60958%0.581SS**Hα-helixtrans-87-41.1174-72-176165.6-156.40112.6K413 E414 R419 G420K413-K417 PolarHBondContact O-N 3.41Å; E414-K417 WeakPolarHBondContact O-CB 3.41Å; E414-K417 PolarHBondContact O-N 2.8Å; K417-R419 PolarHBondContact O-N 3.01Å; K417-G420 PolarHBondContact O-N 2.88Å
418E50.8Low60.4Low150 Ų150124.1 Ų124.170%0.70160%0.602SS**THydrogen-bonded Turntrans-51.6-19179.7-163.4-166.2160.600114.3E414E414-E418 PolarHBondContact O-N 3.31Å; E414-E418 VanDerWaalsContact O-N 3.17Å
419R55.8Low57.9Low224 Ų224125.8 Ų125.885%0.84562%0.62SS**THydrogen-bonded Turntrans-115.211.9-179.1-62.8-173.7173.7-166.9-3.8114.6K417K417-R419 PolarHBondContact O-N 3.01Å
420G52.5Low55.2Low54 Ų54126 Ų12656%0.55764%0.642SS**THydrogen-bonded Turntrans-96.9-47.7179.900000114.2K417 S422K417-G420 PolarHBondContact O-N 2.88Å; G420-S422 PolarHBondContact O-N 3.41Å
421D46.3Very low52.6Low143 Ų143124.4 Ų124.477%0.76565%0.651SS**  trans-101.387.4-156.5-58.6-37.8000112.7
422S45.3Very low50.2Low104 Ų104128 Ų12873%0.72767%0.665SS**  trans-177.3105.2159.826.10000114.2G420G420-S422 PolarHBondContact O-N 3.41Å
423K44.3Very low47.7Very low170 Ų170129.1 Ų129.174%0.73967%0.674SS**SBendtrans-17478.3138.6-108.3173-179.1178.50118.8D83D83-K423 WeakPolarHBondContact OD1-CA 3.49Å; D83-K423 PolarHBondContact OD1-N 3.01Å
424G34.9Very low45.4Very low47 Ų47129.7 Ų129.749%0.48568%0.679SS.*  trans101.1105137.800000117.5A82 D83A82-G424 WeakPolarHBondContact CB-O 3.4Å; D83-G424 VanDerWaalsContact CB-C 3.41Å; D83-G424 PolarHBondContact OD1-N 2.96Å
425S44.7Very low43.5Very low39 Ų39129.8 Ų129.827%0.27368%0.679SS.*  trans-59.7140.1-166.2-1760000117.6D83 G84D83-S425 VanDerWaalsContact C-CA 3.49Å; D83-S425 WeakPolarHBondContact O-CA 3.19Å; G84-S425 VanDerWaalsContact C-CB 3.4Å; G84-S425 PolarHBondContact N-OG 3.43Å; G84-S425 WeakPolarHBondContact O-CB 3.41Å; G84-S425 PolarHBondContact O-OG 2.73Å
426R44.6Very low41.9Very low175 Ų175128.8 Ų128.866%0.6668%0.68SS**  trans-163.5112.1156.3-155.9148.2-170.5127.117118.3D83D83-R426 PolarHBondContact O-N 3.34Å
427E35Very low40.8Very low148 Ų148131.3 Ų131.369%0.69269%0.692SS**  trans58.4154.5145.2-66.2158.8179.600121.1
428S39.8Very low40.5Very low101 Ų101130 Ų13071%0.70670%0.698SS**  cis-170.7154-37.5-1660000109.8
429S37.8Very low39.8Very low115 Ų115131.6 Ų131.680%0.80470%0.702SS**  trans32.3120.3155.7600000122.1
430G29.7Very low38.7Very low84 Ų84127.1 Ų127.187%0.86670%0.695SS**  trans-147.569.1169.800000113.7
431S34.1Very low37.6Very low102 Ų102134.2 Ų134.271%0.71371%0.706SS**  trans-71.3145.4-168.765.50000115.9
432R32.6Very low37.2Very low219 Ų219134.9 Ų134.983%0.82670%0.702SS**  170.8128.1119.1-94.3160.9-178.9-1701.4114.5
433K34.2Very low36.8Very low180 Ų180137.4 Ų137.478%0.78370%0.703SS**  trans63.1146146.2-61.3-174178.5-169.50118.7
434Q33.3Very low36.3Very low155 Ų155138.7 Ų138.772%0.72470%0.704SS**  cis-151.3173.6-17.4-128.7-171.3-5100111.6
435E30.4Very low36.4Very low125 Ų125145.8 Ų145.858%0.58472%0.722SS**  trans-55.9174.7178.8-50.9172.686.700117.9
436K35.4Very low36.6Very low149 Ų149148.7 Ų148.765%0.64874%0.74SS**  trans87.690.9140.5-83.4155.5-175.8150.20120.4
437T35.4Very low35.9Very low134 Ų134149.9 Ų149.982%0.82275%0.746SS**  72.6152.6125.548.20000120.7
438P54.2Low35.8Very low112 Ų112150.1 Ų150.173%0.72774%0.744SS**  trans-106154.6-17039.4-32.4000114.1
439K35.3Very low35.4Very low184 Ų184152 Ų15280%0.875%0.747SS**  174.4164.5125.5-104-179.6178.9-174.90115.5
440D32.3Very low35.5Very low129 Ų129152.8 Ų152.869%0.6974%0.742SS**  trans68.699.8147.7-59.5-13.8000122.8
441Y29.9Very low36Very low203 Ų203152 Ų15280%0.79672%0.723SS**  80.7134.3109.3-136.6-120.7000120.7
442K37.1Very low36.3Very low157 Ų157155.5 Ų155.568%0.68373%0.725SS**  trans68.3157.1173-68.9157.1162.6-101.40115.8
443E38.4Very low36.5Very low158 Ų158153.3 Ų153.374%0.73872%0.724SS**  cis-135.5-176.72.5-148.4129.5-118.300113.5
444Y33.2Very low36.6Very low196 Ų196154.6 Ų154.677%0.76973%0.73SS**  trans-97.9146.1-165.4-160.2-99000112
445K36.2Very low36.6Very low196 Ų196150.4 Ų150.485%0.85273%0.729SS**  trans173116.7138.3-87-104.8179.2174.50112.6
446P48.9Very low36.9Very low100 Ų100156.9 Ų156.965%0.64975%0.748SS**  trans-88.8156.2161.135.3-32.2000111.3
447Y31.8Very low36.9Very low201 Ų201156.7 Ų156.779%0.78875%0.749SS**  trans-146.7118.3168.8-157-107.2000114.5
448K31.4Very low37Very low152 Ų152158.5 Ų158.566%0.66174%0.741SS**  trans48.299.5154-70.4-149.9172.9-158.50121.8
449D32.7Very low35.9Very low141 Ų141158.1 Ų158.175%0.75473%0.733SS**  -23135.3113.1170.646.4000116
450D39.4Very low35.7Very low132 Ų132156.8 Ų156.871%0.70673%0.729SS**  trans-146.6157.9140.6-148.7-37.1000109.5K452D450-K452 IonicContact OD1-NZ 3.66Å
451S40.8Very low35.7Very low68 Ų68155.3 Ų155.348%0.47673%0.729SS.*  trans-124.9149-160.3169.40000112.3
452K39.9Very low35.9Very low174 Ų174157 Ų15776%0.75773%0.734SS**  -179.8149.3123.7-92.5152.6-146.385.50114.7D450D450-K452 IonicContact OD1-NZ 3.66Å
453H35.4Very low35.6Very low173 Ų173154.1 Ų154.180%0.80173%0.733SS**  trans-62.4154.4169.5-47.2-102.1000112.4
454K37.3Very low35.1Very low207 Ų207152.3 Ų152.390%0.974%0.738SS**  -160.6157.494.1-59.1-151.8-178.3-178.70108.5
455G32.8Very low34.8Very low68 Ų68148.5 Ų148.570%0.70174%0.74SS**  cis111.585.51.700000112.9
456R37.7Very low34.4Very low261 Ų261144.5 Ų144.599%0.98574%0.737SS**  trans-156.3158.1162.2-110.7166.5-170.6176.71.4110.8
457E34.3Very low33.5Very low145 Ų145144.8 Ų144.868%0.67874%0.741SS**  trans-136.6178.1-161.2-162.6-157.5174.500108.2
458R37.8Very low33.3Very low172 Ų172140 Ų14065%0.64974%0.743SS**  trans83.2106.8152.6-67.6-176.1-177.9-82.6-17.7121.8
459D30.6Very low33.2Very low104 Ų104138.1 Ų138.156%0.55675%0.749SS**  111.3112.7101.1-70.7-14.9000121.8
460H31.3Very low33.5Very low156 Ų156137 Ų13772%0.72275%0.749SS**  71.393.7124.1-70.366.5000122.7
461S32.9Very low32.9Very low98 Ų98136 Ų13669%0.68575%0.752SS**  76.8158.7114.9-53.40000123.3
462R34.5Very low32.4Very low239 Ų239138.2 Ų138.290%0.90277%0.768SS**  trans86148.5162.6-55.6169.7-178.8165.80.5117.7
463S29.2Very low32.3Very low96 Ų96135.4 Ų135.467%0.67177%0.768SS**  cis-173.8158-22.3-88.20000111
464S28.7Very low31.8Very low120 Ų120132.1 Ų132.184%0.83976%0.764SS**  trans64161.9152.933.90000119.6
465S28Very low31.4Very low116 Ų116127.7 Ų127.781%0.81176%0.76SS**  cis-155.2177.72.631.90000113.4
466S27.5Very low31.2Very low111 Ų111134.4 Ų134.478%0.77676%0.764SS**  trans-69.8-173.8175.655.90000114.6
467S29.5Very low30.9Very low107 Ų107128.9 Ų128.975%0.74875%0.749SS**  cis-165.9162.52256.30000116
468A27.5Very low30.7Very low99 Ų99128.9 Ų128.982%0.81875%0.749SS**  trans65.6153.7143.700000124.6
469S28.3Very low30.4Very low114 Ų114128.4 Ų128.480%0.79775%0.752SS**  trans-109.8171173.4-35.60000110.6
470P39.6Very low30.3Very low116 Ų116132 Ų13275%0.75377%0.765SS**  -159.2177.175.741.1-19000119.2
471S27Very low30.1Very low111 Ų111129.8 Ų129.878%0.77677%0.767SS**  trans58.5130.9147.257.70000123.9
472S31.1Very low29.9Very low115 Ų115134.4 Ų134.480%0.80478%0.775SS**  trans-80.3170.3161.9-41.30000112.9
473P36.4Very low29.8Very low116 Ų116131 Ų13175%0.75377%0.767SS**  -152.7150.5106.639.6-22.9000118.5
474S25.9Very low29.9Very low104 Ų104131.8 Ų131.873%0.72776%0.76SS**  trans38.5160.6140.4720000125.9
475S28.5Very low30.1Very low114 Ų114134.1 Ų134.180%0.79775%0.75SS**  trans80.7149.1155.881.50000118
476R28.9Very low30.2Very low208 Ų208134.4 Ų134.479%0.78574%0.739SS**  cis-170.1133.7-15.4158.4176.3-170.3-161.6-3.6112.5
477E30.8Very low30.6Very low146 Ų146137.5 Ų137.568%0.68274%0.741SS**  trans52.9165.8152.8-69.2-177.2127.200124.6
478E30Very low30.9Very low145 Ų145139 Ų13968%0.67874%0.736SS**  trans78.8102.1157-60.4-145.4112.500124
479K32.3Very low31.1Very low162 Ų162141.3 Ų141.370%0.70473%0.728SS**  60120.2120.3-67176.9-174.2152.50122.5
480E28.7Very low31.2Very low178 Ų178144 Ų14483%0.83273%0.725SS**  23.9120.4122.5-54.8-179.4120.700119.7
481S26.1Very low30.8Very low110 Ų110143.5 Ų143.577%0.76972%0.72SS**  179.3137.199.3450000116.4
482K29.9Very low31.1Very low196 Ų196146.4 Ų146.485%0.85272%0.721SS**  trans47.6138.4140.6-66.6177.2178.4172.40123.1
483K32.5Very low31Very low166 Ų166147 Ų14772%0.72271%0.711SS**  trans73151.2156-75.5-167.8131-145.90116.4
484E31.6Very low30.9Very low114 Ų114148.3 Ų148.353%0.53371%0.707SS.*  cis-145.2143.1-1.2-119.8176.2139.600107.5
485R31.5Very low31.1Very low169 Ų169149.7 Ų149.764%0.63870%0.704SS**  108.7141.984-170.9169.9-158.7115.718.4112.1
486E31.4Very low31.2Very low122 Ų122152.3 Ų152.357%0.5770%0.701SS**  cis-96.6-1001.2-166.981.4-93.200113.8
487E35.2Very low31.4Very low175 Ų175149.1 Ų149.182%0.81870%0.699SS**  cis-158.1171.4-0.6-152149-62.400112.5
488E35.7Very low31.3Very low138 Ų138152.8 Ų152.865%0.64571%0.708SS**  trans-101.5157.9-169.4-64.3-172.4102.300112.9
489F31.7Very low31.6Very low149 Ų149151 Ų15165%0.65471%0.712SS**  cis-139.7134.722.3-79.8-84.7000110.7
490K31.2Very low31.4Very low170 Ų170147 Ų14774%0.73972%0.717SS**  75.5126.193.7-147161.6-178.3165.80113.6
491T31.4Very low31.8Very low105 Ų105148.9 Ų148.964%0.64472%0.723SS**  cis-165.1149.29.510.70000112.2
492H33.3Very low32.2Very low172 Ų172148.2 Ų148.280%0.79672%0.723SS**  trans70.9151.9146.4-81.1-134.9000120.1
493H28.4Very low32.4Very low129 Ų129141.9 Ų141.960%0.59771%0.714SS**  cis-171.2129-8.6158.794.2000112.5
494E34.9Very low32.5Very low143 Ų143140.5 Ų140.567%0.66872%0.719SS**  trans60.6163.2149.6-72.6-161.6-149.100121.8
495M28.6Very low32.6Very low133 Ų133140 Ų14066%0.65573%0.728SS**  cis-166170.6-24.8-109.5-92.9-163.500111.4
496K30.6Very low33Very low169 Ų169143 Ų14374%0.73574%0.739SS**  trans75.4118.2149.3-114.270.2178.1-175.60121
497D33.9Very low33.6Very low140 Ų140143.4 Ų143.475%0.74975%0.752SS**  trans-73.6148.8152.2-33.5-103.4000111.3
498Y28.8Very low33.7Very low224 Ų224147 Ų14788%0.87876%0.758SS**  -174.3171.7111.9-119.2-98.8000113.5
499S34.8Very low33.7Very low108 Ų108143.3 Ų143.376%0.75576%0.757SS**  trans-59.6153.1-175.658.50000117.5
500G29.9Very low34.1Very low78 Ų78142.3 Ų142.380%0.80476%0.764SS**  trans-173.49816000000115.1
501F35.5Very low34.3Very low217 Ų217142.3 Ų142.395%0.95276%0.764SS**  trans-92.4114.9170.8172.4-91.1000110.3
502A34.7Very low34.8Very low95 Ų95146 Ų14679%0.78577%0.773SS**  trans-153.7101.417600000114
503G33.9Very low35.3Very low63 Ų63145.1 Ų145.165%0.64977%0.774SS**  trans58.6124.5130.100000123.6
504V36Very low36.3Very low138 Ų138146.3 Ų146.384%0.83679%0.785SS**  trans75.592133.9-167.10000119.8
505S33.8Very low36.8Very low102 Ų102149.8 Ų149.871%0.71379%0.792SS**  42.5114123-490000121.8
506R38.7Very low37.1Very low234 Ų234149.2 Ų149.288%0.88379%0.792SS**  169.6132115.9-94.6165.8-177.8-151.30.1113.6
507P43.5Very low37.6Very low129 Ų129149.2 Ų149.284%0.83880%0.8SS**  trans-96.8141.3156.834.6-29.1000112.4
508R38.1Very low37.6Very low251 Ų251145.8 Ų145.895%0.94780%0.798SS**  trans-127.9141.3156.1-82.8178.8163.1178.1-6.7105.9
509G36.3Very low38.2Very low60 Ų60141.2 Ų141.262%0.61979%0.793SS**  cis159.6159.5-4.400000109.9
510T40.2Very low38.7Very low129 Ų129142.6 Ų142.679%0.79179%0.792SS**  trans61.2145176.456.60000115.5
511F35.4Very low39.4Very low169 Ų169150 Ų15074%0.74180%0.797SS**  cis-130.614921.6-86.4-104.1000113.1
512H40.6Very low39.8Very low182 Ų182150.6 Ų150.684%0.84379%0.793SS**  trans-115.8139.5147.4-79.8-84.9000106.1
513D43.8Very low40.3Very low154 Ų154149.8 Ų149.882%0.82479%0.786SS**  trans-100.8130.3166.7-84.4-61.6000109.1
514D50.5Low40.7Very low154 Ų154156.5 Ų156.582%0.82480%0.798SS**  trans-82141176.1-62.3-68.5000111.1
515R44.8Very low41Very low217 Ų217160.9 Ų160.982%0.81980%0.799SS**  trans-159.3127.8146.9-114.4-165.4165.986.64.5113.6
516D36.3Very low41.1Very low120 Ų120159.1 Ų159.164%0.64280%0.797SS**  trans49.989.8148-43.3-24.6000116.3
517D40.5Very low41.2Very low169 Ų169159.9 Ų159.990%0.90480%0.8SS**  80.9118.982.2-86.4-42.7000115.1
518G34.3Very low41.2Very low69 Ų69157.5 Ų157.571%0.71180%0.799SS**  trans-16514.4-168.300000118.8
519V41.2Very low41.5Very low128 Ų128157.4 Ų157.478%0.77680%0.799SS**  trans62.2166.6164.3-122.50000120.5Y521V519-Y521 PolarHBondContact O-N 3.36Å
520D44.7Very low41.5Very low136 Ų136157.4 Ų157.473%0.72780%0.798SS**  trans70.911.2162-73.86.4000122.6W522D520-W522 PolarHBondContact O-N 2.95Å
521Y45.3Very low41.7Very low233 Ų233158 Ų15891%0.91480%0.802SS**THydrogen-bonded Turntrans-7457164.8-90.3-77.8000114.9V519V519-Y521 PolarHBondContact O-N 3.36Å
522W44.2Very low41.6Very low230 Ų230159.3 Ų159.387%0.87181%0.808SS**THydrogen-bonded Turntrans-160.9-10.3154.6-119.639000116.7D520 K524D520-W522 PolarHBondContact O-N 2.95Å; W522-K524 PolarHBondContact O-N 3.33Å
523A44.3Very low41.8Very low78 Ų78159.9 Ų159.965%0.64581%0.81SS**THydrogen-bonded Turntrans-71.6120.8-177.200000112.9
524K41.3Very low41.6Very low204 Ų204163.6 Ų163.689%0.88781%0.813SS**THydrogen-bonded Turntrans7051.9163.4-57.3174.6-177169.30117.5W522 G526W522-K524 PolarHBondContact O-N 3.33Å; K524-G526 PolarHBondContact O-N 2.63Å
525R42.3Very low41.3Very low231 Ų231159.8 Ų159.887%0.87281%0.81SS**  trans-64.399.3152.6-170.8-168-58.7164.93.4109.7
526G36.3Very low41.2Very low64 Ų64159.4 Ų159.466%0.6681%0.809SS**  trans-152.8120.9-176.800000114.8K524K524-G526 PolarHBondContact O-N 2.63Å
527R41.2Very low41.7Very low250 Ų250157.7 Ų157.794%0.94382%0.819SS**  trans5988.9-177.1-53.4-169.9-162.7-88.66.8115.3
528G44.3Very low41.9Very low79 Ų79158.4 Ų158.481%0.81481%0.809SS**  trans-72.3145.9163.800000112.7
529R43.5Very low42Very low250 Ų250164.4 Ų164.494%0.94382%0.816SS**  trans-133.8140.4153.6-73.4-166.2175.2-142.2-0.2108.1
530G37Very low41.9Very low59 Ų59164.7 Ų164.761%0.60881%0.813SS**  trans-69.3149.9-166.600000114.9F532G530-F532 VanDerWaalsContact C-N 3.3Å; G530-F532 PolarHBondContact O-N 2.77Å
531T43.5Very low41.8Very low142 Ų142167 Ų16787%0.87182%0.817SS**  trans-73.475.1175.749.40000111.9Q533T531-Q533 PolarHBondContact O-N 2.8Å
532F34.4Very low41.6Very low197 Ų197164.5 Ų164.586%0.86481%0.811SS**  trans-70.5108.3167.2-73.8-79.5000110G530 R534G530-F532 VanDerWaalsContact C-N 3.3Å; G530-F532 PolarHBondContact O-N 2.77Å; F532-R534 VanDerWaalsContact C-N 3.33Å; F532-R534 PolarHBondContact O-N 2.86Å
533Q43.5Very low41.9Very low193 Ų193163.2 Ų163.290%0.90281%0.812SS**  trans-69.888.8171.1-67.8-167.81.200110T531 G535T531-Q533 PolarHBondContact O-N 2.8Å; Q533-G535 PolarHBondContact O-N 2.68Å
534R40.9Very low41.7Very low232 Ų232163.9 Ų163.988%0.87581%0.811SS**  trans-63.1104.6170.9177.8179.4-98.2-117.32.4108.8F532 R536F532-R534 VanDerWaalsContact C-N 3.33Å; F532-R534 PolarHBondContact O-N 2.86Å; R534-R536 PolarHBondContact O-N 3.01Å
535G43.7Very low42Very low74 Ų74158.7 Ų158.776%0.76382%0.816SS**  trans-53.7111.6-178.800000112.2Q533 G537Q533-G535 PolarHBondContact O-N 2.68Å; G535-G537 PolarHBondContact O-N 2.9Å; G535-G537 VanDerWaalsContact O-N 3.07Å
536R43.2Very low42.3Very low209 Ų209152 Ų15279%0.78981%0.805SS**  trans-80.485.8174.9-72.3-169.3-178.9-1248.3109.5R534 R538R534-R536 PolarHBondContact O-N 3.01Å; R536-R538 VanDerWaalsContact C-N 3.31Å; R536-R538 PolarHBondContact O-N 3.04Å
537G46.6Very low42.5Very low84 Ų84152.5 Ų152.587%0.86680%0.798SS**  trans-6189.4168.500000111.2G535G535-G537 PolarHBondContact O-N 2.9Å; G535-G537 VanDerWaalsContact O-N 3.07Å
538R43.8Very low43.2Very low184 Ų184144.1 Ų144.169%0.69478%0.776SS**  trans-95.4109170.6-70-161.8178.7-77.311.5109R536 N540R536-R538 VanDerWaalsContact C-N 3.31Å; R536-R538 PolarHBondContact O-N 3.04Å; R538-N540 PolarHBondContact O-N 3.18Å
539F36.4Very low43.7Very low195 Ų195149.5 Ų149.586%0.85578%0.777SS**  trans-66.5111171-169.4-92.6000109.2F541F539-F541 PolarHBondContact O-N 3.17Å
540N39.9Very low44Very low134 Ų134147.3 Ų147.372%0.71777%0.769SS**  trans-81.2101-177.1-76.4-49.3000110.5R538 K542R538-N540 PolarHBondContact O-N 3.18Å; N540-K542 VanDerWaalsContact C-N 3.35Å; N540-K542 PolarHBondContact O-N 3.25Å
541F41.9Very low44.3Very low184 Ų184148.2 Ų148.281%0.80776%0.763SS**  trans-68.689.4172-168-89.7000110.4F539F539-F541 PolarHBondContact O-N 3.17Å
542K41.1Very low44.4Very low181 Ų181147.4 Ų147.479%0.78775%0.749SS**  trans-89.5129.4168.9-82.8-172.6172.5-177.50109.9N540 S544N540-K542 VanDerWaalsContact C-N 3.35Å; N540-K542 PolarHBondContact O-N 3.25Å; K542-S544 PolarHBondContact O-N 2.93Å
543K50.7Low45.3Very low204 Ų204143.4 Ų143.489%0.88774%0.737SS**  trans-70.187.4-176.4-174.8-178.2179.6-177.70111.5
544S39.3Very low45.6Very low91 Ų91141.5 Ų141.564%0.63673%0.726SS**  trans-72.6134.5167.550.80000110.7K542 S546K542-S544 PolarHBondContact O-N 2.93Å; S544-S546 PolarHBondContact O-N 2.77Å
545G49.4Very low46.1Very low96 Ų96141.3 Ų141.399%0.9973%0.726SS**SBendtrans-75.139.517800000114.7
546S47.5Very low46Very low89 Ų89145.2 Ų145.262%0.62273%0.725SS**SBendtrans-151.4132.2178.1-175.30000109S544S544-S546 PolarHBondContact O-N 2.77Å
547S41.3Very low45.8Very low76 Ų76138.4 Ų138.453%0.53172%0.72SS.*  trans-71.6139.8178.5-164.40000110.2K549 T551S547-K549 PolarHBondContact O-N 3.46Å; S547-T551 PolarHBondContact OG-OG1 3.38Å; S547-T551 VanDerWaalsContact OG-OG1 3.05Å
548P54.4Low45.8Very low74 Ų74142.6 Ų142.648%0.48172%0.722SS.*  trans-54.4122.9171.5-25.935.7000111.1W550 T551P548-W550 VanDerWaalsContact CB-CD1 3.49Å; P548-W550 HydrophobicContact CB-CG 4.46Å; P548-W550 PolarHBondContact O-N 2.81Å; P548-T551 PolarHBondContact O-N 3.37Å; P548-T551 PolarHBondContact O-OG1 2.87Å
549K56.4Low45.4Very low192 Ų192137.2 Ų137.284%0.83572%0.724SS**G310 helixtrans-58-15.4-170.9-77.3-179.863.871.40115.4S547 T551S547-K549 PolarHBondContact O-N 3.46Å; K549-T551 PolarHBondContact O-N 3.41Å
550W47.9Very low46Very low204 Ų204135 Ų13577%0.77372%0.72SS**G310 helixtrans-69.1-16174.368.8-96.4000113.9P548 H552P548-W550 VanDerWaalsContact CB-CD1 3.49Å; P548-W550 HydrophobicContact CB-CG 4.46Å; P548-W550 PolarHBondContact O-N 2.81Å; W550-H552 PolarHBondContact O-N 3.41Å
551T45.3Very low46.1Very low78 Ų78134.8 Ų134.848%0.47972%0.723SS.*G310 helixtrans-78.90.2178.569.60000114.3S547 P548 K549S547-T551 PolarHBondContact OG-OG1 3.38Å; S547-T551 VanDerWaalsContact OG-OG1 3.05Å; P548-T551 PolarHBondContact O-N 3.37Å; P548-T551 PolarHBondContact O-OG1 2.87Å; K549-T551 PolarHBondContact O-N 3.41Å
552H44Very low46.1Very low124 Ų124132.1 Ų132.157%0.57471%0.713SS**G310 helixtrans-108.8-6.5-174.7-148.5-72.6000114W550 Q556W550-H552 PolarHBondContact O-N 3.41Å; H552-Q556 PolarHBondContact CE1-OE1 3.37Å; H552-Q556 VanDerWaalsContact CE1-OE1 3.26Å; H552-Q556 PolarHBondContact ND1-OE1 2.98Å
553D53.1Low46.1Very low114 Ų114130.5 Ų130.561%0.6171%0.712SS**SBendtrans-93.38.5-166.3-176.854.3000114.1
554K50.7Low45.9Very low153 Ų153125.8 Ų125.867%0.66570%0.697SS**SBendtrans-131.41.9-172.6-62.4-70.4154.7-99.70115.7
555Y51.3Low46.3Very low228 Ų228130 Ų13089%0.89471%0.707SS**SBendtrans-141.933.7177.6-73.2-73000113.5
556Q42.1Very low46.2Very low156 Ų156133.4 Ų133.473%0.72970%0.697SS**  trans-115.3104.4152.6-72.4-175.8-71.100106.9H552H552-Q556 PolarHBondContact CE1-OE1 3.37Å; H552-Q556 VanDerWaalsContact CE1-OE1 3.26Å; H552-Q556 PolarHBondContact ND1-OE1 2.98Å
557G38.2Very low46Very low66 Ų66133.5 Ų133.568%0.6869%0.694SS**  trans-90146.4163.400000109.4G559G557-G559 PolarHBondContact O-N 3.49Å
558D47.4Very low46.2Very low172 Ų172136.9 Ų136.992%0.9270%0.703SS**  trans35.169.4153.2-49.1-22.3000116.3
559G35.5Very low45.9Very low71 Ų71141.3 Ų141.373%0.73272%0.717SS**  trans-99.4110.416000000109.4G557 V561G557-G559 PolarHBondContact O-N 3.49Å; G559-V561 PolarHBondContact O-N 2.81Å
560I48.1Very low45.3Very low149 Ų149136.5 Ų136.576%0.76470%0.701SS**  trans-64.7130.2178.7-71.2169.5000110.6E562I560-E562 HydrophobicContact CG2-CG 4.07Å
561V41.4Very low45.3Very low129 Ų129132 Ų13278%0.78269%0.692SS**  trans-143.481.9155.4-178.10000103.8G559G559-V561 PolarHBondContact O-N 2.81Å
562E42.9Very low45.5Very low128 Ų128135 Ų13560%0.59870%0.7SS**  77.691.492.7-74.9174.6147.600111.6I560 D564I560-E562 HydrophobicContact CG2-CG 4.07Å; E562-D564 PolarHBondContact O-N 3.29Å
563D41.3Very low46Very low146 Ų146134 Ų13478%0.78170%0.696SS**  trans-68.479.3156.1-90.2-51.9000108.2E565D563-E565 PolarHBondContact O-N 2.81Å
564D46.5Very low46Very low105 Ų105134.6 Ų134.656%0.56169%0.693SS**THydrogen-bonded Turntrans-74.7-3.6-174.4-105.2-7.6000114E562E562-D564 PolarHBondContact O-N 3.29Å
565E46.9Very low46Very low179 Ų179134.2 Ų134.284%0.83669%0.692SS**THydrogen-bonded Turntrans-89.4-29.4-177.3-61.3-162.1172.300114.1D563 T567D563-E565 PolarHBondContact O-N 2.81Å; E565-T567 PolarHBondContact O-N 2.75Å
566E47.1Very low46.1Very low168 Ų168127.6 Ų127.679%0.78567%0.671SS**Hα-helixtrans-77.2-16.1-179-69-160.3158.500114.4
567T43.8Very low46.7Very low92 Ų92128.3 Ų128.356%0.56467%0.668SS**Hα-helixtrans-89.7-14.7-172.866.10000114.9E565E565-T567 PolarHBondContact O-N 2.75Å
568M45.8Very low47.3Very low147 Ų147135 Ų13572%0.72467%0.672SS**Hα-helixtrans-67-52.9176.9-70.8-74.7-172.600111.5N570 N571M568-N570 PolarHBondContact O-N 3.48Å; M568-N571 PolarHBondContact O-N 2.87Å
569E47.3Very low47.5Very low167 Ų167133.8 Ų133.878%0.7866%0.659SS**Hα-helixtrans-65.8-40.9-169.7-154.4170.4-132.800112N571 E572 E573E569-N571 PolarHBondContact O-N 2.86Å; E569-N571 VanDerWaalsContact O-N 3.16Å; E569-E572 PolarHBondContact O-N 3.24Å; E569-E573 PolarHBondContact O-N 3.26Å
570N45.6Very low48.3Very low91 Ų91138.6 Ų138.649%0.48766%0.662SS.*Hα-helixtrans-69-12.7-179.5-146.8-73.3000114.2M568 K574M568-N570 PolarHBondContact O-N 3.48Å; N570-K574 PolarHBondContact OD1-NZ 3.13Å
571N46.5Very low48.6Very low108 Ų108139.6 Ų139.658%0.57866%0.664SS**Hα-helixtrans-96.8-22.7179.8-155.61.2000112.1M568 E569M568-N571 PolarHBondContact O-N 2.87Å; E569-N571 PolarHBondContact O-N 2.86Å; E569-N571 VanDerWaalsContact O-N 3.16Å
572E50.8Low49Very low141 Ų141142.5 Ų142.566%0.65967%0.666SS**Hα-helixtrans-76.7-46.4173.5-163.3136.9-118.300110.7E569 K574 K575 D576E569-E572 PolarHBondContact O-N 3.24Å; E572-K574 PolarHBondContact O-N 2.94Å; E572-K574 VanDerWaalsContact O-N 3.16Å; E572-K575 WeakPolarHBondContact O-CB 3.47Å; E572-K575 PolarHBondContact O-N 3.08Å; E572-D576 PolarHBondContact O-N 3.32Å
573E52.8Low48.9Very low103 Ų103148.8 Ų148.848%0.48170%0.695SS.*Hα-helixtrans-57-33.7175.8-157.7-152.7155.200112.7E569 K575 R577E569-E573 PolarHBondContact O-N 3.26Å; E573-K575 VanDerWaalsContact C-N 3.34Å; E573-R577 WeakPolarHBondContact O-CG 3.46Å; E573-R577 PolarHBondContact O-N 3.2Å; E573-R577 IonicContact OE1-CZ 2.63Å; E573-R577 IonicContact OE1-NH1 3.09Å; E573-R577 PolarHBondContact OE1-NH1 2.82Å
574K53.4Low49.3Very low128 Ų128149 Ų14956%0.55769%0.691SS**Hα-helixtrans-76.5-13.1176.2-79.4-167.9-173.476.80114.8N570 E572N570-K574 PolarHBondContact OD1-NZ 3.13Å; E572-K574 PolarHBondContact O-N 2.94Å; E572-K574 VanDerWaalsContact O-N 3.16Å
575K52.3Low49.5Very low145 Ų145151.3 Ų151.363%0.6370%0.698SS**Hα-helixtrans-84-46.1175.5-91.7179.9177.7169.70112.1E572 E573 R578 K579E572-K575 WeakPolarHBondContact O-CB 3.47Å; E572-K575 PolarHBondContact O-N 3.08Å; E573-K575 VanDerWaalsContact C-N 3.34Å; K575-R578 WeakPolarHBondContact O-CA 3.45Å; K575-R578 WeakPolarHBondContact O-CB 3.37Å; K575-R578 PolarHBondContact O-N 2.92Å; K575-K579 PolarHBondContact O-N 3Å
576D52Low49.6Very low88 Ų88149.7 Ų149.747%0.47169%0.69SS.*Hα-helixtrans-73.8-35-176.5-73.7-31.3000112.2E572 R578 K579 E580E572-D576 PolarHBondContact O-N 3.32Å; D576-R578 PolarHBondContact O-N 3.09Å; D576-K579 PolarHBondContact O-N 3.03Å; D576-K579 IonicContact OD1-NZ 2.75Å; D576-K579 PolarHBondContact OD1-NZ 3.18Å; D576-E580 PolarHBondContact O-N 2.87Å
577R54.2Low49.7Very low172 Ų172148.6 Ų148.665%0.64968%0.684SS**THydrogen-bonded Turntrans-59.3-7.6166-68.9-179116.1154.4-0114.3E573E573-R577 WeakPolarHBondContact O-CG 3.46Å; E573-R577 PolarHBondContact O-N 3.2Å; E573-R577 IonicContact OE1-CZ 2.63Å; E573-R577 IonicContact OE1-NH1 3.09Å; E573-R577 PolarHBondContact OE1-NH1 2.82Å
578R50.8Low50.1Low206 Ų206152.2 Ų152.278%0.77769%0.692SS**THydrogen-bonded Turntrans-110.84.3175.7-139.1179-169.1-1723.7114.4K575 D576K575-R578 WeakPolarHBondContact O-CA 3.45Å; K575-R578 WeakPolarHBondContact O-CB 3.37Å; K575-R578 PolarHBondContact O-N 2.92Å; D576-R578 PolarHBondContact O-N 3.09Å
579K52.4Low50.4Low146 Ų146152.5 Ų152.564%0.63569%0.69SS**THydrogen-bonded Turntrans-93.9-38161.8-73.4177.8-171.91440111.7K575 D576 E581 K582K575-K579 PolarHBondContact O-N 3Å; D576-K579 PolarHBondContact O-N 3.03Å; D576-K579 IonicContact OD1-NZ 2.75Å; D576-K579 PolarHBondContact OD1-NZ 3.18Å; K579-E581 PolarHBondContact O-N 3.47Å; K579-K582 PolarHBondContact O-N 2.84Å; K579-K582 VanDerWaalsContact O-N 3.1Å
580E52.6Low50.6Low172 Ų172151.5 Ų151.580%0.80468%0.683SS**THydrogen-bonded Turntrans-69-16.9-175.1-156.7171-141.900113.5D576 K582D576-E580 PolarHBondContact O-N 2.87Å; E580-K582 VanDerWaalsContact C-N 3.29Å; E580-K582 PolarHBondContact O-N 2.86Å
581E53.6Low51Low171 Ų171156.2 Ų156.280%0.79970%0.698SS**THydrogen-bonded Turntrans-91.821.3172.8-154179.8-139.900112.5K579K579-E581 PolarHBondContact O-N 3.47Å
582K50.2Low51.4Low190 Ų190160.2 Ų160.283%0.82671%0.709SS**  trans-152.143-177.7-133.6-176.2-174.7-168.60116.5K579 E580K579-K582 PolarHBondContact O-N 2.84Å; K579-K582 VanDerWaalsContact O-N 3.1Å; E580-K582 VanDerWaalsContact C-N 3.29Å; E580-K582 PolarHBondContact O-N 2.86Å
583E41.8Very low51.5Low260 Ų260161.9 Ų161.9100%1.21571%0.713SS**  trans-120.40158.4-168.9163.8-178.200109.6

Retrieved 583 of 583 residues in 431.9 ms (Link to these results)