A0A096N0R3_PAPAN Loading...

Reticulon

AlphaFold DB , UniProt , Accession A0A096N0R3, Species PAPAN (Papio anubis, Olive baboon), Gene RTN4, Length 1,194 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.1Very low34Very low208 Ų208142.1 Ų142.1100%1.02578%0.776SS**  088.90-63.375.7-168.500106.3
2E37.8Very low33.5Very low154 Ų154139.6 Ų139.672%0.7278%0.777SS**  cis72146.442.6-49.9145.5121.200112.3
3D36.7Very low32.9Very low145 Ų145136.8 Ų136.878%0.77577%0.773SS**  trans69.3137.2170.3-55.6-16.5000119
4L36.8Very low32.6Very low133 Ų133137 Ų13770%0.69677%0.771SS**  cis-161.7167-29.9-148.366000109.1
5D34.8Very low32.3Very low126 Ų126134.9 Ų134.967%0.67477%0.769SS**  trans53.5126.6157.3-65.6-22.8000121.4S7D5-S7 PolarHBondContact O-N 3.07Å; D5-S7 PolarHBondContact O-OG 3.32Å
6Q35.1Very low33.4Very low203 Ų203134 Ų13495%0.94977%0.769SS**  trans-58.5113.2158.8-69.6-177.9-000109.7
7S35.1Very low34.3Very low100 Ų100133.5 Ų133.570%0.69977%0.772SS**  trans-86.2-165.5175.8-57.60000109.4D5D5-S7 PolarHBondContact O-N 3.07Å; D5-S7 PolarHBondContact O-OG 3.32Å
8P39.8Very low34Very low109 Ų109136.3 Ų136.371%0.70877%0.768SS**SBendtrans-79.1174.8-173.536-36.2000112.8
9L30Very low34.7Very low161 Ų161135.4 Ų135.484%0.84377%0.768SS**  trans79.2121.4173-51.7175.8000113.7
10V29.6Very low34.6Very low124 Ų124132.7 Ų132.775%0.75275%0.749SS**  90.6112.252.5167.60000113
11S26.1Very low35.1Very low100 Ų100132.2 Ų132.270%0.69975%0.751SS**  trans65114.2150.4-65.10000122.5
12S27.6Very low35.2Very low112 Ų112125.8 Ų125.878%0.78373%0.73SS**  77.2143.3113.8-530000123.4
13S26Very low35Very low103 Ų103125.5 Ų125.572%0.7273%0.727SS**  trans97138.1135.6-118.80000121.6
14D28.9Very low34.7Very low140 Ų140126.5 Ų126.575%0.74973%0.725SS**  trans72.8117.5148.1-70.1-68.2000123.7
15S27.6Very low34.3Very low106 Ų106129.8 Ų129.874%0.74173%0.729SS**  trans-56.3155.1155.238.50000114.5
16P51.1Low34.1Very low120 Ų120129.9 Ų129.978%0.77973%0.726SS**  -141.4-169.996.841.1-27.2000111.6
17P48.3Very low33.9Very low125 Ų125128.9 Ų128.981%0.81272%0.718SS**  cis-129.9-143.4-0.844.2-25.7000113.4
18R28.8Very low33.6Very low185 Ų185129.7 Ų129.770%0.69872%0.719SS**  trans-156.2167.3172.4-139.6-178.3-172.81802.4108Q20R18-Q20 HydrophobicContact CG-CG 4.43Å
19P46.6Very low33.2Very low118 Ų118130.6 Ų130.677%0.76671%0.708SS**  -143.8157.876.545.1-29.2000112.5
20Q34.2Very low33.3Very low82 Ų82129.2 Ų129.238%0.38370%0.698SS.*  cis5713949.2-77.8-81.5-49.200113R18R18-Q20 HydrophobicContact CG-CG 4.43Å
21P45Very low34.4Very low123 Ų123126.2 Ų126.280%0.79968%0.681SS**  cis-108.7-173.530.57.317.6000112.9
22A33.8Very low34.7Very low72 Ų72129.2 Ų129.260%0.59568%0.683SS**  cis-160.5139.2-21.200000105.9
23F32.9Very low35Very low149 Ų149130.1 Ų130.165%0.65468%0.68SS**  44.3127.986.6-61.9-56000114
24K30.6Very low35.4Very low165 Ų165133.3 Ų133.372%0.71768%0.683SS**  cis-157153.48.9-103.5163.2-175.1-179.50108.8
25Y29.4Very low35.6Very low203 Ų203134 Ų13480%0.79668%0.682SS**  39.313692-71.9-96.7000114.8
26Q30.6Very low36Very low128 Ų128137 Ų13760%0.59868%0.684SS**  cis178.21520.5151.5178.541.800111.4
27F29.9Very low35.2Very low181 Ų181139.8 Ų139.879%0.79469%0.687SS**  trans61.6163.9173-62.9-42.2000115.1
28V29.1Very low34.6Very low117 Ų117142.1 Ų142.171%0.70969%0.687SS**  cis-141.7149.719.8-179.10000110
29R31.2Very low35.1Very low129 Ų129142.4 Ų142.449%0.48770%0.696SS.*  142.2116129.9-166.2171.6-60.7143.6-9.1115.5Y531 V532 T533R29-Y531 PolarHBondContact NH1-OH 3.38Å; R29-V532 VanDerWaalsContact NE-CG1 3.3Å; R29-T533 HydrophobicContact CG-CG2 4.01Å
30E31.3Very low34.6Very low132 Ų132145 Ų14562%0.61770%0.698SS**  trans-103.4173.8156.4-95.3170.6-146.200108.4
31P52.6Low34.9Very low61 Ų61150 Ų15040%0.39672%0.721SS.*  cis-135-164.1-25.136.1-16.4000112.6
32E33.3Very low34.5Very low162 Ų162153.6 Ų153.676%0.75773%0.728SS**  trans64.5144.9153.8-68.7148.7-151.100118.5
33D33.4Very low34.8Very low132 Ų132157.8 Ų157.871%0.70674%0.735SS**  cis-165.2179.2-16.8-106.7-4.9000109.3
34E34.8Very low35.1Very low169 Ų169159.1 Ų159.179%0.7975%0.749SS**  trans67.4154.9165.5-67.6158.4-172.600117
35E34.2Very low35.6Very low156 Ų156158.4 Ų158.473%0.72975%0.748SS**  cis-158.2157.5-5.8-122.7170.4-171.600111.7
36E34.4Very low36.2Very low169 Ų169157.1 Ų157.179%0.7976%0.755SS**  trans37.7174.2149.8-68.8-174.116600126.5
37E34.2Very low36.7Very low177 Ų177158.7 Ų158.783%0.82776%0.762SS**  trans67.7127.2175-60.5-179176.200117
38E37.5Very low37Very low175 Ų175156.8 Ų156.882%0.81876%0.76SS**  cis94.2177.446.4-71.2-167.6174.300113.2
39E37.9Very low37.5Very low191 Ų191158.1 Ų158.189%0.89376%0.763SS**  trans80.998.3-152.1-56.1178.418000112
40E36Very low37.8Very low172 Ų172160.3 Ų160.380%0.80478%0.779SS**  61112.855.9-55.6-161.1147.900111.5
41E40.5Very low38Very low186 Ų186162.1 Ų162.187%0.86979%0.787SS**  55.6113.185.8-72.4-164.9-175.800113.2
42E37.1Very low37.3Very low200 Ų200166.8 Ų166.894%0.93581%0.807SS**  trans-149.4157.1140.1-139.6169.9-143.200110
43E40.5Very low37.5Very low160 Ų160167.8 Ų167.875%0.74881%0.812SS**  trans-97.5174.5-173.7-61.2169.3115.400110.6
44D39Very low37.5Very low177 Ų177166.8 Ų166.895%0.94781%0.811SS**  trans-127.2103.1157.6-95.8-46.7000106.9
45E40.7Very low37.5Very low149 Ų149166.3 Ų166.370%0.69681%0.813SS**  trans-85.8150.9170.2-61.9-172.2112.700110.7
46D41.2Very low37.5Very low177 Ų177166.2 Ų166.295%0.94781%0.812SS**  trans-114.5108.7162.9-90.9-48.1000108.4
47E41.6Very low37.4Very low161 Ų161168 Ų16875%0.75281%0.812SS**  trans-88.2-160.4180-81.8-150.9106.700113.4
48D37.7Very low37.3Very low140 Ų140168.4 Ų168.475%0.74981%0.811SS**  trans77.9113173.5-64-29.9000117.2
49L39.4Very low37.4Very low145 Ų145166.2 Ų166.276%0.75981%0.812SS**  cis78126.245.4-62169.4000115.1
50E36.6Very low36.9Very low176 Ų176161.5 Ų161.582%0.82281%0.805SS**  174170.4111.8-89.9-147.6129.600114
51E36.1Very low36.6Very low170 Ų170158.2 Ų158.279%0.79481%0.807SS**  trans56122.7172.7-58.7-165.2130.900119.5
52L38.2Very low36.1Very low158 Ų158154.3 Ų154.383%0.82781%0.807SS**  cis82.4104.425.5-56.6172.4000117.4
53E36.4Very low35.6Very low184 Ų184147.9 Ų147.986%0.8679%0.794SS**  trans175.9161.8135.2-95.5-146.6134.700110
54V34.4Very low35.1Very low110 Ų110148.6 Ų148.667%0.66780%0.803SS**  cis-163.5137.1-48.2122.20000108.8
55L33.9Very low34.6Very low159 Ų159145.1 Ų145.183%0.83279%0.792SS**  trans37.4126.3160.5-61.6170.5000122.5
56E34.7Very low34.1Very low155 Ų155142.8 Ų142.872%0.72480%0.798SS**  -169.4170.5121.5-99-104.44300115.2
57R32.3Very low33.4Very low205 Ų205138.8 Ų138.877%0.77479%0.789SS**  trans-49129.5-159.8-76.5161.317297.8-0.6123.2
58K32.1Very low33.6Very low187 Ų187136.5 Ų136.581%0.81379%0.789SS**  trans-33.7139.5138.8170.8167.8-178.6172.80115.2
59P38.7Very low33.1Very low129 Ų129136 Ų13684%0.83879%0.79SS**  -137.4159.197.439.3-28.2000116.2
60A27.7Very low33.2Very low91 Ų91134 Ų13475%0.75279%0.786SS**  trans-146.6148173.800000110.8
61A29.6Very low32.8Very low103 Ų103132.1 Ų132.185%0.85179%0.787SS**  trans-167.1152172.200000110.9
62A31Very low32.4Very low105 Ų105128.2 Ų128.287%0.86878%0.783SS**  cis-169.4151.9-22.300000110.2
63G26.8Very low32.7Very low64 Ų64126.4 Ų126.466%0.6678%0.781SS**  trans136.791.8173.300000112.9
64L29.3Very low32.4Very low176 Ų176122 Ų12292%0.92178%0.777SS**  69.5132.183.5-66.4170.2000114
65S29Very low32.3Very low103 Ų103121.7 Ų121.772%0.7279%0.786SS**  cis-171.6148.4-10.8-168.90000112.1
66A29.5Very low32Very low100 Ų100116.2 Ų116.283%0.82677%0.767SS**  trans69.3158.8156.500000121.8
67A26.8Very low31.6Very low93 Ų93112.4 Ų112.477%0.76976%0.762SS**  trans-108.8-160.2-177.900000110.2
68P45Very low32.3Very low113 Ų113106 Ų10673%0.73475%0.747SS**  cis-142.1179.80.944.9-25.2000117.7
69V27.4Very low32.2Very low130 Ų130102.9 Ų102.979%0.78874%0.739SS**  trans21.5142134.6179.70000119.4
70P41.2Very low31.9Very low103 Ų103102.4 Ų102.467%0.66973%0.727SS**  cis-142.4-167.814.728.7-1.9000118.3
71T27.6Very low31.9Very low137 Ų137100.9 Ų100.984%0.8471%0.706SS**  trans83.5152.2140.230.50000124.7
72A28.4Very low32Very low87 Ų87104.2 Ų104.272%0.71970%0.702SS**  trans-94.8-162.3168.700000110.4
73P44.6Very low31.9Very low121 Ų121102.3 Ų102.379%0.78669%0.692SS**  cis-147.3178.511.346.1-25.5000119.4
74A30.6Very low32.1Very low92 Ų92106.2 Ų106.276%0.7670%0.698SS**  trans31.9143.313900000127.1
75A31.1Very low32.1Very low103 Ų103103.9 Ų103.985%0.85169%0.686SS**  trans67.7156.3139.600000122.1
76G27.6Very low32.1Very low43 Ų43108.7 Ų108.744%0.44370%0.695SS.*  cis166.6134.2-16.900000118T577 K578G76-T577 CarbonylContact O-C 3.11Å; G76-K578 PolarHBondContact O-N 3.27Å
77A28.1Very low32.4Very low76 Ų76110.1 Ų110.163%0.62869%0.693SS**  trans54.4-152.1160.900000117.5K578 M579A77-K578 CarbonylContact O-C 3.25Å; A77-K578 WeakPolarHBondContact O-CA 3.34Å; A77-K578 PolarHBondContact O-N 3.31Å; A77-M579 PolarHBondContact O-N 3.35Å
78P46.2Very low33Very low70 Ų70111.3 Ų111.346%0.45569%0.693SS.*  -111.8179.2-79.219.9-0.6000113.4M579P78-M579 PolarHBondContact O-N 2.89Å
79L31.1Very low33.1Very low122 Ų122111.8 Ų111.864%0.63970%0.696SS**  cis176.9155.5-21.4179.161.7000110.7D580L79-D580 WeakPolarHBondContact CA-OD1 3.29Å; L79-D580 PolarHBondContact N-OD1 3.17Å
80M32.4Very low33.6Very low119 Ų119110 Ų11059%0.58669%0.694SS**  trans93.4146.1171.6-64.1-16915700117.3L581M80-L581 WeakPolarHBondContact O-CD1 3.31Å; M80-L581 WeakPolarHBondContact O-CD2 3.5Å
81D27.6Very low33.8Very low59 Ų59110.4 Ų110.432%0.31670%0.697SS.*  cis-176-177.7-17.7-177.321.3000107N207D81-N207 PolarHBondContact OD2-ND2 3.46Å
82F30.2Very low34Very low172 Ų172115.8 Ų115.875%0.75470%0.702SS**  trans73.5117.9167.9-62.7-83.4000120N207F82-N207 VanDerWaalsContact CZ-ND2 3.32Å; F82-N207 WeakPolarHBondContact CZ-ND2 3.32Å
83G29Very low34Very low65 Ų65115.2 Ų115.267%0.6770%0.704SS**  106.6107.792.400000120.8
84N32Very low33.8Very low146 Ų146115.9 Ų115.978%0.78171%0.709SS**  trans72.8146.9133.2-94.249000124.8
85D28.8Very low34.2Very low127 Ų127118.7 Ų118.768%0.67971%0.71SS**  trans58.8113.1150.3-64.8-51.4000121.3
86F28.8Very low34.8Very low205 Ų205117.2 Ų117.290%0.89969%0.692SS**  -178.4155.2107.4-110.3-86.2000112.7
87V36.1Very low34.8Very low129 Ų129118.3 Ų118.378%0.78270%0.697SS**  trans-128.6131.4179.6171.60000107.8
88P40.3Very low34.9Very low118 Ų118117.4 Ų117.477%0.76669%0.69SS**  -156.2-150.981.837.1-11000114.5
89P46.5Very low35.4Very low124 Ų124119.7 Ų119.781%0.80571%0.705SS**  -126.6179.8-73.839.3-22.7000115.6
90A36.7Very low35.6Very low91 Ų91120.2 Ų120.275%0.75272%0.715SS**  trans-84.9179.4179.300000115.7
91P45.4Very low35.4Very low113 Ų113119.2 Ų119.273%0.73473%0.726SS**  -159.4146.997.338.9-18.3000121.3
92R32.3Very low35.6Very low250 Ų250121 Ų12194%0.94375%0.748SS**  trans75.6141.5140.4-69.9172174.7159.2-0.6123.3
93G28.2Very low36Very low74 Ų74119.1 Ų119.176%0.76375%0.754SS**  trans-99.6-151.5174.700000115
94P40.7Very low36Very low136 Ų136123.3 Ų123.388%0.88376%0.756SS**  -145.2-175.754.442-22.7000118.3
95L38.5Very low35.8Very low150 Ų150125.7 Ų125.779%0.78575%0.754SS**  trans-87.1-155.7175.8-94.7170.4000112.8
96P44.4Very low35.6Very low72 Ų72127.2 Ų127.247%0.46876%0.757SS.*  cis-97.8-151-23.9-6.525.5000117.7Q635 P636P96-Q635 VanDerWaalsContact N-OE1 3.17Å; P96-Q635 PolarHBondContact O-NE2 3.32Å; P96-Q635 PolarHBondContact O-OE1 2.83Å; P96-P636 HydrophobicContact CB-CB 3.84Å; P96-P636 HydrophobicContact CG-CB 4.15Å
97A28.4Very low36.3Very low67 Ų67122.6 Ų122.655%0.55475%0.748SS**  trans169.5146.7145.600000118.1
98A28.9Very low35.7Very low57 Ų57121.6 Ų121.647%0.47175%0.746SS.*  trans168.2168.1165.400000110.9Q635 P636 S637A98-Q635 PolarHBondContact N-O 3.09Å; A98-Q635 VanDerWaalsContact O-O 3.14Å; A98-P636 CarbonylContact O-C 3.59Å; A98-P636 WeakPolarHBondContact O-CA 3.36Å; A98-S637 PolarHBondContact O-N 2.95Å
99P56.3Low35.2Very low118 Ų118128.3 Ų128.377%0.76676%0.756SS**  cis-129.9-174.4-48.642.1-27.2000112.9
100P36Very low34.1Very low132 Ų132129.5 Ų129.586%0.85776%0.756SS**  trans-137.8177.5157.939.7-24.9000115.8
101A28.6Very low34.4Very low99 Ų99130.9 Ų130.982%0.81876%0.757SS**  trans-146-174.1-171.900000114.7
102A31.3Very low33.8Very low95 Ų95130.3 Ų130.379%0.78576%0.756SS**  trans78.5158.717300000116.7
103P38.8Very low34.1Very low133 Ų133124 Ų12486%0.86475%0.748SS**  -132.4165.772.439.8-28.1000117.1
104E28.4Very low34.1Very low154 Ų154126.6 Ų126.672%0.7275%0.748SS**  trans-111.2161.4168.9-76.6-167.4101.500112.6
105R28.7Very low33.7Very low196 Ų196124.8 Ų124.874%0.7474%0.739SS**  trans132109.4136.6-74.5-164.4179.314110.9114.7
106Q25.6Very low33.3Very low158 Ų158122.2 Ų122.274%0.73873%0.733SS**  84.7158.880.8-85.4-172-4.600113.8
107P43.1Very low32.3Very low109 Ų109125.5 Ų125.571%0.70875%0.752SS**  cis-137.3175.2-25.938.4-21.9000114.3
108S23.2Very low32.8Very low108 Ų108128.5 Ų128.576%0.75576%0.764SS**  161.8139.9123.552.50000117.4
109W28.6Very low33.9Very low258 Ų258131.4 Ų131.498%0.97778%0.778SS**  trans41.7132.3150.5-63.3-8.6000126.1
110D25.2Very low32.5Very low150 Ų150130.1 Ų130.180%0.80278%0.777SS**  trans-52.6169.4152-74.6-68.6000115.1
111P41.2Very low33.2Very low119 Ų119129.9 Ų129.977%0.77378%0.775SS**  cis-137.6177.218.642.9-25.4000118.1
112S33.5Very low33.2Very low101 Ų101130.5 Ų130.571%0.70677%0.774SS**  trans-68.3165.3168.8-33.90000114
113P39.1Very low33.2Very low118 Ų118130.9 Ų130.977%0.76677%0.77SS**  -143.8134.595.236.3-20.5000115.1
114V27Very low32.8Very low129 Ų129131.8 Ų131.878%0.78277%0.767SS**  61.2111.2101.2-175.40000116
115S32.2Very low33Very low97 Ų97129.4 Ų129.468%0.67877%0.767SS**  trans-76.4138.5166.81800000112.4
116S30Very low33.2Very low96 Ų96124.4 Ų124.467%0.67177%0.768SS**  trans-175149.7153.957.50000112.8
117T24.2Very low33.6Very low141 Ų141121.6 Ų121.687%0.86577%0.772SS**  trans-159.3130.5148.6-83.80000111.7
118V38.9Very low33Very low131 Ų131121 Ų12179%0.79478%0.776SS**  trans-160.8170.7-176.6-74.70000108.1
119P52.5Low33.3Very low118 Ų118122.7 Ų122.777%0.76678%0.782SS**  cis-130.3-171.43.439.5-20.9000114.7
120A26.7Very low33.4Very low90 Ų90115.5 Ų115.574%0.74477%0.771SS**PPolyproline II helixtrans-66160.5158.600000111.6
121P50.2Low34.4Very low127 Ų127113.7 Ų113.783%0.82577%0.767SS**PPolyproline II helixtrans-89.4162.1-143.733.2-37.9000118.6
122S29.6Very low33.7Very low113 Ų113113.1 Ų113.179%0.7977%0.766SS**PPolyproline II helixtrans-85.8167.5173.138.30000112.3
123S31.6Very low33.5Very low102 Ų102116.8 Ų116.871%0.71377%0.769SS**  cis-165.4-154.8-8.448.30000108.1
124L30.3Very low32.9Very low152 Ų152117.5 Ų117.580%0.79677%0.766SS**  cis-163.4149.114.1-138.5177.6000112.3
125S32.8Very low33Very low104 Ų104117 Ų11773%0.72776%0.758SS**  trans-17.3140.7165.7-160.70000123
126A32.6Very low32.9Very low92 Ų92119.4 Ų119.476%0.7676%0.759SS**  177.6138.193.800000118.1
127A32.4Very low32.8Very low98 Ų98122.1 Ų122.181%0.8177%0.766SS**  trans76.3108.3146.600000124.6
128A31.2Very low33Very low97 Ų97123 Ų12380%0.80277%0.765SS**  104.3144.7120.900000123.8
129V28.9Very low32.4Very low144 Ų144125 Ų12587%0.87377%0.766SS**  trans87142.7164.4-165.60000118.5
130S31.5Very low32.7Very low106 Ų106124 Ų12474%0.74176%0.759SS**  trans-105.9-170.7-172.6-40.70000111.3
131P45.4Very low33.9Very low113 Ų113125 Ų12573%0.73476%0.759SS**  cis-144.6-176.25.444.8-25.4000118.4
132S27.4Very low32.8Very low106 Ų106123.1 Ų123.174%0.74175%0.754SS**  trans91112.3142.8-67.60000123.2
133K29.4Very low32.8Very low178 Ų178129.1 Ų129.177%0.77476%0.759SS**  92.8121.8125.7-86.7-166.2154.8-162.40122.3
134L26.3Very low33.5Very low133 Ų133129.6 Ų129.670%0.69676%0.76SS**  trans74.9144.5135.8-62.2175.1000118.4
135L28.2Very low34.6Very low119 Ų119127.8 Ų127.862%0.62376%0.757SS**  cis-165.8139.3-7160.1145.1000112.5
136E30.6Very low35.6Very low147 Ų147128.2 Ų128.269%0.68776%0.757SS**  trans54.1124.3157.3-69.1145.340.500120.1
137D28.5Very low36.4Very low153 Ų153129.2 Ų129.282%0.81876%0.756SS**  cis86.4148.336.2-54.2-42.2000113.2
138D27.7Very low37.4Very low160 Ų160129.7 Ų129.786%0.85675%0.75SS**  cis-143.7-178.716.4-163.4-2.3000111.9
139E27.5Very low38.1Very low174 Ų174130.4 Ų130.481%0.81375%0.747SS**  trans-103.7-109.4-175.4-171.5-161.571.900116.1
140P57.3Low38.1Very low96 Ų96127.8 Ų127.862%0.62374%0.74SS**  trans-117.5-137.5-153.742.9-23.8000112.4
141P51.7Low37.7Very low112 Ų112127.8 Ų127.873%0.72774%0.74SS**  cis-139.2177.1-21.635.9-14.7000117.5
142A29.1Very low36.9Very low87 Ų87128.7 Ų128.772%0.71974%0.744SS**  trans43.5133.5136.700000126.2
143R28.1Very low37Very low239 Ų239128.8 Ų128.890%0.90274%0.744SS**  trans61.3172.3133.4-85-171.2-177.5-173.93.8120.3
144P47.5Very low37.8Very low112 Ų112125.3 Ų125.373%0.72774%0.74SS**  cis-123.4-118.1-24.726.4-1000114.7
145P53Low37.7Very low114 Ų114128 Ų12874%0.7475%0.749SS**  -129.7-143.3-111.949.8-30.3000116
146P53.9Low37.6Very low112 Ų112127 Ų12773%0.72776%0.758SS**  trans-125.2-128.1-133.135.1-6.2000111.2
147P49.5Very low37.6Very low113 Ų113128.4 Ų128.473%0.73477%0.765SS**  cis-121.6-89.3-2520.34.3000120.7
148P52.8Low38.2Very low108 Ų108127.3 Ų127.370%0.70177%0.766SS**  trans-130.7-145.9-139.145.7-24.3000112.6
149P46.1Very low38.2Very low112 Ų112123.2 Ų123.273%0.72775%0.754SS**  cis-138.1-166.2-1338.7-17.8000115.7
150A28Very low38.2Very low89 Ų89126.8 Ų126.874%0.73676%0.761SS**  trans78.4152.1142.500000119.7
151S24.4Very low36.8Very low106 Ų106127.9 Ų127.974%0.74177%0.765SS**  cis-174-172.5-16.353.10000111.9
152V28.8Very low37Very low132 Ų132128.2 Ų128.280%0.877%0.768SS**  trans94.4136.8158.1-156.10000119
153S28.5Very low37.8Very low108 Ų108129.8 Ų129.876%0.75577%0.77SS**  trans-96.1-144.1175.2-39.90000109.9
154P45.4Very low38Very low106 Ų106122.6 Ų122.669%0.68876%0.763SS**  cis-133.6-177.1-16.841.1-22.7000115.7
155Q25.9Very low37.7Very low189 Ų189123.1 Ų123.188%0.88377%0.766SS**  trans44.1131.7147.8-79-173.9-22.200122.8
156A26.3Very low36.7Very low99 Ų99121.9 Ų121.982%0.81877%0.765SS**  -179.9151.4100.500000113.4
157E28.9Very low36.2Very low176 Ų176122.2 Ų122.282%0.82277%0.767SS**  trans-91.2178164.9-55.8-173.812800111.5
158P42.8Very low35.2Very low129 Ų129121.3 Ų121.384%0.83877%0.769SS**  -143.6161.38637.2-20.6000116.4
159A26.9Very low34Very low75 Ų75120.8 Ų120.862%0.6277%0.774SS**  trans-84.6-175.7178.700000114.7
160W26.4Very low34.5Very low249 Ų249121 Ų12194%0.94378%0.776SS**  trans-174.9157.8137.6-109.873.7000110.9
161T29.5Very low35Very low118 Ų118122.2 Ų122.272%0.72478%0.776SS**  trans-154.6175.5-168.549.40000111.9
162P54.7Low34.9Very low119 Ų119122.2 Ų122.277%0.77378%0.776SS**  cis-109.4-106.8-3.9214.2000113.5
163P46.9Very low34.9Very low120 Ų120122.1 Ų122.178%0.77978%0.776SS**  cis-125.3-150.320.745.3-28.6000115.2
164A31.7Very low35.6Very low89 Ų89122.3 Ų122.374%0.73677%0.774SS**  trans-154.5-171.5177.400000108.9
165P42.2Very low34.5Very low123 Ų123121.5 Ų121.580%0.79978%0.777SS**  cis-143-170.77.545.2-24.9000117.1
166A31.7Very low34.8Very low87 Ų87117.1 Ų117.172%0.71977%0.773SS**  trans-84.8172.7158.300000110.8
167P43Very low35.6Very low120 Ų120117.8 Ų117.878%0.77977%0.769SS**  -160.3176.265.945.1-23.5000119.3
168A27.4Very low35.5Very low93 Ų93118.6 Ų118.677%0.76977%0.77SS**  trans55.5128.1135.500000125.6
169A27.6Very low35Very low98 Ų98122.2 Ų122.281%0.8177%0.767SS**  88.5157.8125.700000121.4
170P58.2Low35.2Very low117 Ų117128.9 Ų128.976%0.7678%0.776SS**  trans-110-175.4-15544.5-36.5000114.6
171P37.2Very low35.4Very low114 Ų114120.3 Ų120.374%0.7476%0.764SS**  -152.916894.141.3-23.7000118.1
172S23.9Very low35.3Very low106 Ų106120.1 Ų120.174%0.74177%0.768SS**  trans8.3135145.5-48.90000123.5
173T28.2Very low34.4Very low129 Ų129119.9 Ų119.979%0.79177%0.769SS**  14.5162127.328.40000122.6
174P42Very low33.8Very low112 Ų112117.9 Ų117.973%0.72777%0.771SS**  cis-141.5178.6-9.539.4-19.8000117.2
175A24.2Very low33.6Very low90 Ų90119.4 Ų119.474%0.74478%0.776SS**  trans56.7110.7141.200000124.6
176A31.9Very low33.4Very low97 Ų97119.8 Ų119.880%0.80278%0.775SS**  trans69.7169.4133.400000119.4
177P41.4Very low33.4Very low113 Ų113120.7 Ų120.773%0.73477%0.768SS**  cis-134.2173.11.344-27.8000117.6
178K28.8Very low32.9Very low193 Ų193120.4 Ų120.484%0.83976%0.756SS**  trans23.5142.2141.5-68.3170179.8166.50119.7
179R31.4Very low33.3Very low204 Ų204118.9 Ų118.977%0.7774%0.738SS**  cis-171.6150.429.9-141-176.6-176.4-174.52.6114.8
180R31.1Very low33.6Very low216 Ų216119.7 Ų119.782%0.81573%0.728SS**  trans66.1124.2140.8176.6-178.5-77.6-159.3-7121.6
181G30.9Very low32.4Very low68 Ų68122 Ų12270%0.70173%0.726SS**  trans155.6113135.400000118.1
182S27.7Very low32Very low114 Ų114120.4 Ų120.480%0.79772%0.723SS**  trans55.4112.3165.2-134.20000118.3
183S35.5Very low32.5Very low115 Ų115123.3 Ų123.380%0.80473%0.729SS**  cis77123.934.184.60000116
184G34.8Very low33.4Very low78 Ų78122.8 Ų122.880%0.80473%0.728SS**  cis155.2152.4-10.800000114.6
185S27.4Very low32.8Very low121 Ų121122.1 Ų122.185%0.84673%0.732SS**  trans-162.8140.2169.257.40000112.3
186V36.9Very low33.1Very low130 Ų130122.4 Ų122.479%0.78873%0.734SS**  trans-154161.4173.1-1280000104.6
187D32.9Very low33Very low107 Ų107123.6 Ų123.657%0.57274%0.736SS**  cis-133.8-168.120.3-68.5-70.2000109.9
188E32.1Very low32.7Very low113 Ų113127 Ų12753%0.52874%0.743SS.*  cis-153.5-164.812.5-148.5156.5-161.600112.2L341E188-L341 HydrophobicContact CG-CD1 3.6Å; E188-L341 WeakPolarHBondContact OE1-CA 3.35Å; E188-L341 WeakPolarHBondContact OE1-CB 3.25Å; E188-L341 WeakPolarHBondContact OE1-CD1 3.28Å; E188-L341 PolarHBondContact OE1-N 2.89Å
189T34.6Very low33.4Very low61 Ų61123.4 Ų123.437%0.37474%0.739SS.*  trans-80.2145.6-161.1400000117.8L341T189-L341 HydrophobicContact CG2-CD1 3.62Å
190L34.8Very low33.5Very low116 Ų116120 Ų12061%0.60774%0.741SS**  62.5152.187-50.9176.1000115.6
191F32.8Very low33.5Very low164 Ų164116.6 Ų116.672%0.71974%0.737SS**  cis-155.9176.3-0.8-129.2-39.9000110.9
192A28.5Very low33.4Very low81 Ų81124.1 Ų124.167%0.66974%0.744SS**  trans-157.7119165.500000114.3
193L34Very low33.4Very low168 Ų168123.9 Ų123.988%0.8874%0.743SS**  trans60.8174.7156.2-56.8179000118.1
194P47.9Very low33.2Very low118 Ų118123.8 Ų123.877%0.76674%0.742SS**  cis-133179.4-18.125.5-2.3000116.3
195A29.7Very low33.1Very low97 Ų97124.7 Ų124.780%0.80274%0.742SS**  trans98.7141.9139.700000124.2
196A31Very low33.4Very low97 Ų97125.3 Ų125.380%0.80273%0.731SS**  trans71154.4163.100000118.1
197S29.1Very low33.1Very low121 Ų121122.2 Ų122.285%0.84671%0.71SS**  cis-150.9178.59.8-47.40000113.5
198E34.7Very low33.1Very low185 Ų185123.2 Ų123.286%0.86471%0.714SS**  trans-73.9179.1163.5-108-175.2136.500113.6
199P43.2Very low33.1Very low117 Ų117125.8 Ų125.876%0.7673%0.728SS**  cis-130.8-132.3-10.837.8-15.9000113.1
200V34Very low33Very low134 Ų134128.9 Ų128.981%0.81274%0.743SS**  trans-118.2155.9-161.9-160.20000114.4
201I31.3Very low32.8Very low143 Ų143129.4 Ų129.473%0.73375%0.745SS**  trans96.3101.3162.2-48.8-177.3000118.9
202R28.8Very low32.6Very low227 Ų227129.1 Ų129.186%0.85774%0.744SS**  trans62.6106.6144.4-66.3-178.5-179.4-164.60.7123.6
203S28.1Very low32.6Very low109 Ų109131.7 Ų131.776%0.76274%0.742SS**  58.9102.3111.3-58.90000122.5
204S30.6Very low32.3Very low113 Ų113131.9 Ų131.979%0.7974%0.738SS**  132.1131.8103.3-74.50000117.3
205A33.5Very low31.8Very low96 Ų96131.7 Ų131.779%0.79374%0.737SS**  trans63.9142.6154.300000118.3
206E32.1Very low31.7Very low135 Ų135130.3 Ų130.363%0.63173%0.732SS**  cis-161168.5-9.3-171.357-96.900108.7
207N31.7Very low31.4Very low65 Ų65132.7 Ų132.735%0.34873%0.732SS.*  trans69.188.6154.7-120.8-3000122.5D81 F82D81-N207 PolarHBondContact OD2-ND2 3.46Å; F82-N207 VanDerWaalsContact CZ-ND2 3.32Å; F82-N207 WeakPolarHBondContact CZ-ND2 3.32Å
208I32.3Very low31.3Very low128 Ų128132.1 Ų132.166%0.65672%0.723SS**  42.1109.1113.1-55.7175.5000119.6
209M33.2Very low31Very low166 Ų166130.5 Ų130.582%0.81872%0.719SS**  trans64.8146.8140-62.4175.6-178.400120.1
210D30.7Very low30.2Very low127 Ų127130.4 Ų130.468%0.67972%0.721SS**  cis-155.7171.57.7-141.5-20000115
211L31.2Very low29.9Very low127 Ų127128.5 Ų128.567%0.66572%0.719SS**  trans72.7102.7150.1-70.5165.2000121.2
212K29.2Very low29.8Very low158 Ų158125.2 Ų125.269%0.68772%0.72SS**  74.9133.4103.7-162.4158.6-167.1168.70118.2
213E28.8Very low29.6Very low135 Ų135122.3 Ų122.363%0.63172%0.717SS**  cis-159.4138.35.6-144.7161.5-160.500111
214Q28.1Very low29.6Very low171 Ų171124.2 Ų124.280%0.79971%0.714SS**  trans53.1179.2146.8-86.9-167.333.600120.3
215P37Very low29.5Very low115 Ų115126.7 Ų126.775%0.74772%0.718SS**  cis-121.8-170.6-32.729.8-11.6000111.2
216G26.4Very low29.3Very low68 Ų68131.7 Ų131.770%0.70172%0.722SS**  trans121.567138.800000119
217N24.4Very low29.7Very low147 Ų147130.6 Ų130.679%0.78673%0.727SS**  37.8142.1114.8-113.414.4000121.1
218T28.1Very low29.5Very low109 Ų109132.3 Ų132.367%0.66974%0.744SS**  trans73.7153.114263.60000118.9
219I27.3Very low29.2Very low151 Ų151132.3 Ų132.377%0.77475%0.75SS**  cis-164.3151-13.9-111166.6000107.5
220S26.3Very low28.8Very low114 Ų114131.5 Ų131.580%0.79775%0.748SS**  176.9148.8118.8-157.30000113.3
221A29.6Very low28.6Very low95 Ų95131.8 Ų131.879%0.78575%0.749SS**  trans-111.1-178164.700000110.1
222G27.8Very low28.3Very low73 Ų73133.5 Ų133.575%0.75375%0.753SS**  trans107.3150.4173.500000113.6
223Q24.3Very low28.1Very low166 Ų166132.1 Ų132.178%0.77676%0.758SS**  cis-156.1171.3-13.1-172.6158.2-26.900109.2
224E29.8Very low28Very low150 Ų150129.7 Ų129.770%0.70176%0.761SS**  trans-27.9132.9173.5-60139.316800116.9
225D27Very low28Very low165 Ų165125.9 Ų125.988%0.88276%0.759SS**  -177.2157117-100.7-28.2000114.1
226F30.3Very low27.4Very low200 Ų200126.4 Ų126.488%0.87777%0.765SS**  trans-96155.8167.4-78.4-85.1000108.9
227P39.9Very low27.5Very low112 Ų112131.2 Ų131.273%0.72777%0.774SS**  -161.2-172.355.245.1-22.4000119.2
228S27.6Very low28.1Very low101 Ų101129.3 Ų129.371%0.70677%0.77SS**  trans69.498.6144.8-64.10000124.3
229V26.1Very low27.9Very low129 Ų129128.5 Ų128.578%0.78277%0.768SS**  67.4128.9104.5172.10000122.5
230L25.3Very low27.8Very low149 Ų149129 Ų12978%0.7877%0.772SS**  trans91.2126.3155.4-77.2165.4000124.3
231L25.4Very low27.7Very low133 Ų133128.8 Ų128.870%0.69677%0.77SS**  trans67.3117.8138.9-77.6172.3000126.3
232E25.1Very low28.6Very low162 Ų162129.9 Ų129.976%0.75777%0.77SS**  83.1152.7115.4-142.9175.4-176.300123.7
233T25.6Very low28.4Very low130 Ų130134.8 Ų134.880%0.79878%0.777SS**  trans74.6139.3163.5-46.10000115.9
234A27.3Very low28.5Very low84 Ų84132 Ų13269%0.69478%0.776SS**  cis-137.1156.3-0.700000108.3
235A26.9Very low28.3Very low91 Ų91129.2 Ų129.275%0.75278%0.779SS**  cis73.492.54900000115.7
236S24.7Very low28.3Very low125 Ų125125.7 Ų125.787%0.87477%0.773SS**  trans-170147145-83.90000113.7
237L28.3Very low28.2Very low169 Ų169121 Ų12189%0.88577%0.765SS**  trans-100.9-171.7169.4-71.1171.5000108.2
238P36.6Very low27.5Very low107 Ų107125.1 Ų125.170%0.69577%0.772SS**  cis-142.9-175944.3-24.1000117.6
239S24.5Very low27.5Very low92 Ų92127.5 Ų127.564%0.64377%0.769SS**  trans20.7139.1147.164.20000120.5
240L24.7Very low27.7Very low162 Ų162128 Ų12885%0.84876%0.763SS**  -160.9168.471.8-88.1168.6000114.3
241S25.5Very low27.7Very low109 Ų109127.7 Ų127.776%0.76276%0.757SS**  trans-149-176.8169.2-45.60000107.7
242P48.6Very low27.8Very low119 Ų119129.8 Ų129.877%0.77376%0.764SS**  cis-124.2-166.4-19.640.7-25.5000111.2
243L23.9Very low28Very low175 Ų175131.4 Ų131.492%0.91676%0.764SS**  trans-152.3161.7151.4-115.4176.3000111.4
244S24.4Very low28Very low107 Ų107130.8 Ų130.875%0.74876%0.755SS**  trans-145.9149.3-163.3178.60000113.7
245A27Very low27.8Very low92 Ų92129.8 Ų129.876%0.7675%0.754SS**  trans-153.9119.2150.700000106.9
246A27.1Very low27.8Very low92 Ų92132 Ų13276%0.7675%0.753SS**  82.6146.55400000113.1
247S27.4Very low27.8Very low101 Ų101133.5 Ų133.571%0.70675%0.75SS**  cis-179.7143.3-18.5175.70000108.4
248F25.8Very low27.5Very low199 Ų199129.9 Ų129.987%0.87374%0.739SS**  trans-177.1140.6156.3-110.7-86000108.6
249K27.8Very low27Very low150 Ų150130.7 Ų130.765%0.65274%0.742SS**  cis-166.4123.9-27.3-169.1167.7-177.6-175.10107
250E28.8Very low27Very low140 Ų140132.7 Ų132.765%0.65475%0.75SS**  39.2139.3102.8-65.4176.4136.100116.2
251H27.1Very low27.6Very low142 Ų142132.2 Ų132.266%0.65775%0.748SS**  cis-135.2-169.16.4-83.9-52.9000109.3
252E26.9Very low28.2Very low178 Ų178132.2 Ų132.283%0.83275%0.745SS**  cis-162.4125.730.8-159.4164.6-144.900108.8
253Y28.3Very low27.1Very low195 Ų195132.3 Ų132.377%0.76574%0.744SS**  65.713483.2-113.8-104.2000115.8
254L25.5Very low27.4Very low117 Ų117132.7 Ų132.761%0.61374%0.741SS**  cis-169146.8-29.5-144.5163.8000109.8N256L254-N256 WeakPolarHBondContact CD2-OD1 3.49Å
255G23.9Very low27.5Very low64 Ų64130.2 Ų130.266%0.6673%0.732SS**  trans155.687.3165.200000113.2
256N26.4Very low27.9Very low137 Ų137132.4 Ų132.473%0.73374%0.736SS**  58.9123.585.1-62.4-14.5000112.6L254L254-N256 WeakPolarHBondContact CD2-OD1 3.49Å
257L25.6Very low28.2Very low156 Ų156134.7 Ų134.782%0.81774%0.735SS**  cis-133.3154.524.8-69.4165.2000110.5
258S22.6Very low27.9Very low94 Ų94134.1 Ų134.166%0.65772%0.721SS**  61.3131.360-141.90000112.4
259T25.9Very low28Very low124 Ų124130.4 Ų130.476%0.76171%0.706SS**  cis-154.4178.53.5-12.20000108.1
260V24.5Very low27.9Very low133 Ų133125.2 Ų125.281%0.80669%0.688SS**  -180145.576.81620000109
261L37Very low27.9Very low153 Ų153120.4 Ų120.480%0.80167%0.667SS**  trans-94.8156.7169.6-95.7165.2000110.2
262P37.8Very low27.8Very low108 Ų108117.7 Ų117.770%0.70166%0.658SS**  -151.2-170.367.140.9-17.7000113.8
263T25.6Very low27.9Very low121 Ų121114 Ų11474%0.74264%0.641SS**  cis-146.814912.3-30.90000112.3
264E29.1Very low27.6Very low184 Ų184109.6 Ų109.686%0.8665%0.645SS**  trans-45.9159.7149-169.7171.8-165.900111.7
265G26.7Very low27.7Very low55 Ų55109.5 Ų109.557%0.56765%0.654SS**  cis147.81055.200000109.4
266T36.1Very low27.8Very low137 Ų137116.8 Ų116.884%0.8467%0.667SS**  trans44.5111.8134.5-52.20000119.6
267L33Very low27.8Very low141 Ų141117.2 Ų117.274%0.73867%0.665SS**  -162.6156.298.7-127175.3000113
268Q22.4Very low27.7Very low89 Ų89118.3 Ų118.342%0.41666%0.663SS.*  trans75.4130.4149.8-121.3167.331.200113.5I1182Q268-I1182 HydrophobicContact CB-CD1 3.26Å; Q268-I1182 HydrophobicContact CB-CG1 3.63Å; Q268-I1182 HydrophobicContact CG-CD1 3.36Å; Q268-I1182 HydrophobicContact CG-CG1 4.26Å; Q268-I1182 WeakPolarHBondContact O-CG2 3.15Å
269E26.7Very low28Very low120 Ų120118.4 Ų118.456%0.56166%0.664SS**  cis112.6139.824.6-167-153.1140.300113.9I1182E269-I1182 HydrophobicContact CB-CD1 4.17Å; E269-I1182 WeakPolarHBondContact O-CB 3.44Å; E269-I1182 WeakPolarHBondContact O-CD1 3.42Å; E269-I1182 WeakPolarHBondContact O-CG2 3.2Å
270T25.5Very low28.2Very low42 Ų42120.2 Ų120.226%0.25866%0.664SS.*  trans77.2159167.285.30000120.6M1179T270-M1179 HydrophobicContact CG2-CB 4.28Å; T270-M1179 WeakPolarHBondContact OG1-CA 3.24Å; T270-M1179 WeakPolarHBondContact OG1-CB 3.34Å; T270-M1179 WeakPolarHBondContact OG1-CG 3.19Å
271V30.3Very low28.5Very low38 Ų38122.7 Ų122.723%0.2366%0.663CS.*  cis-163.4167.5-22.8133.70000110.4E273 M1179 Q1183V271-E273 WeakPolarHBondContact CG1-OE1 3.49Å; V271-E273 VanDerWaalsContact CG2-OE1 3.24Å; V271-E273 WeakPolarHBondContact CG2-OE1 3.42Å; V271-M1179 HydrophobicContact CB-CE 3.82Å; V271-M1179 HydrophobicContact CB-SD 4.05Å; V271-M1179 HydrophobicContact CG1-CE 3.34Å; V271-M1179 HydrophobicContact CG1-SD 3.98Å; V271-Q1183 PolarHBondContact O-NE2 2.99Å
272N24.6Very low28.1Very low85 Ų85117.2 Ų117.246%0.45564%0.641SS.*  trans115.1109.6159.2-68-72.7000115.5M1179 R1191N272-M1179 WeakPolarHBondContact ND2-CE 3.48Å; N272-R1191 VanDerWaalsContact O-CB 3.3Å; N272-R1191 WeakPolarHBondContact O-CB 3.18Å; N272-R1191 WeakPolarHBondContact O-CD 3.34Å; N272-R1191 VanDerWaalsContact O-CG 3.23Å; N272-R1191 WeakPolarHBondContact O-CG 3.32Å; N272-R1191 PolarHBondContact O-NE 3.33Å
273E28.7Very low27.8Very low102 Ų102117.2 Ų117.248%0.47763%0.631SS.*  -133.7-112.5-64.5-149.575.993.600114V271 R1191V271-E273 WeakPolarHBondContact CG1-OE1 3.49Å; V271-E273 VanDerWaalsContact CG2-OE1 3.24Å; V271-E273 WeakPolarHBondContact CG2-OE1 3.42Å; E273-R1191 VanDerWaalsContact CA-NH1 3.27Å; E273-R1191 WeakPolarHBondContact O-CD 3.31Å; E273-R1191 PolarHBondContact O-NH1 3.36Å; E273-R1191 IonicContact OE2-CZ 3.64Å; E273-R1191 VanDerWaalsContact OE2-CZ 3.28Å; E273-R1191 IonicContact OE2-NH1 2.63Å; E273-R1191 PolarHBondContact OE2-NH1 2.94Å; E273-R1191 IonicContact OE2-NH2 3.57Å; E273-R1191 PolarHBondContact OE2-NH2 3.46Å; E273-R1191 VanDerWaalsContact OE2-NH2 3.07Å
274A22.2Very low28.2Very low102 Ų102113 Ų11384%0.84361%0.605SS**  trans65.460.4168.600000120.1
275S28Very low29.1Very low115 Ų115105.7 Ų105.780%0.80457%0.574SS**  trans-118.9114.6151.854.60000109.3
276K25.7Very low29.3Very low216 Ų216104.2 Ų104.294%0.93955%0.553SS**  trans-103.1106.5-172.2-169.1177.2-177.7-179.10110.9
277E26.2Very low29.4Very low146 Ų146101.6 Ų101.668%0.68254%0.537SS*.  trans-73.8134.8-178.2-161.3179.1178.600112.1
278F23.9Very low29.4Very low179 Ų179101.8 Ų101.879%0.78554%0.538SS*.  164.6104.4114.3-90-66.9000108.7
279S27.6Very low29.8Very low96 Ų96106.8 Ų106.867%0.67155%0.554SS**  trans-100.3168179.4-145.70000112.7
280E30.5Very low29.8Very low163 Ų163105.8 Ų105.876%0.76255%0.552SS**  trans13.8127.4159.6-69.6149.3125.600120.4
281K30.6Very low30Very low184 Ų184110.3 Ų110.380%0.857%0.574SS**  cis88.299.844.4-176.9-167.1171.1-164.30113.9
282A29Very low29.9Very low39 Ų39112.7 Ų112.732%0.32259%0.589SS.*  trans95.3109.4135.600000122.6H1100 C1103A282-H1100 PolarHBondContact N-NE2 2.99Å; A282-C1103 PolarHBondContact O-SG 2.87Å
283E30.7Very low30.1Very low107 Ų107116 Ų11650%0.560%0.601SS.*  94.4160.1118.3-58.8-10893.900122.9G1099 H1100 V1101 N1102 C1103E283-G1099 WeakPolarHBondContact CA-O 3.36Å; E283-G1099 PolarHBondContact N-O 3.32Å; E283-H1100 PolarHBondContact N-CD2 2.88Å; E283-H1100 CarbonylContact O-C 3.09Å; E283-H1100 WeakPolarHBondContact O-CA 3.34Å; E283-V1101 PolarHBondContact O-N 3.45Å; E283-V1101 VanDerWaalsContact O-N 3.16Å; E283-N1102 PolarHBondContact O-N 2.92Å; E283-C1103 PolarHBondContact O-N 2.93Å
284T33.8Very low30.1Very low32 Ų32119.4 Ų119.420%0.19662%0.615CS.*  trans-121.1-176.5-140.3-0.30000118L1098 G1099 V1101 N1102T284-L1098 VanDerWaalsContact CB-O 3.27Å; T284-L1098 WeakPolarHBondContact CB-O 3.42Å; T284-L1098 VanDerWaalsContact CG2-CA 3.4Å; T284-L1098 HydrophobicContact CG2-CB 4.25Å; T284-L1098 HydrophobicContact CG2-CG 4.18Å; T284-L1098 VanDerWaalsContact CG2-O 3.26Å; T284-L1098 WeakPolarHBondContact CG2-O 2.83Å; T284-L1098 PolarHBondContact OG1-O 3.08Å; T284-G1099 VanDerWaalsContact OG1-C 3.28Å; T284-G1099 WeakPolarHBondContact OG1-CA 3.06Å; T284-G1099 PolarHBondContact OG1-N 3.44Å; T284-G1099 VanDerWaalsContact OG1-N 3.15Å; T284-V1101 VanDerWaalsContact CA-N 3.29Å; T284-V1101 HydrophobicContact CG2-CB 3.7Å; T284-V1101 HydrophobicContact CG2-CG2 3.8Å; T284-N1102 WeakPolarHBondContact O-CB 3.29Å
285P49.8Very low30.4Very low32 Ų32119.7 Ų119.721%0.20861%0.61CS.*  cis-130.7-148.6-6.931.8-4.5000118.1L1098 V1101 N1102P285-L1098 HydrophobicContact CB-CD1 4.49Å; P285-L1098 HydrophobicContact CB-CD2 3.89Å; P285-L1098 HydrophobicContact CB-CG 3.72Å; P285-V1101 CarbonylContact C-O 3.31Å; P285-V1101 CarbonylContact O-C 3.59Å; P285-V1101 VanDerWaalsContact O-C 3.25Å; P285-N1102 VanDerWaalsContact N-CB 3.25Å; P285-N1102 WeakPolarHBondContact O-CB 3.47Å; P285-N1102 PolarHBondContact O-N 3.33Å; P285-N1102 PolarHBondContact O-ND2 2.8Å; P285-N1102 PolarHBondContact O-OD1 2.94Å
286L29.8Very low30.2Very low23 Ų23122.9 Ų122.912%0.1261%0.613CS.*  trans37.6156.5148.6-37.2165.2000126.5I1085 L1098 N1102 I1105L286-I1085 HydrophobicContact CB-CD1 4.35Å; L286-I1085 HydrophobicContact CD1-CB 3.4Å; L286-I1085 HydrophobicContact CD1-CD1 4.36Å; L286-I1085 HydrophobicContact CD1-CG1 3.92Å; L286-I1085 HydrophobicContact CD2-CB 3.96Å; L286-I1085 HydrophobicContact CD2-CD1 3.96Å; L286-I1085 HydrophobicContact CD2-CG1 4.36Å; L286-I1085 HydrophobicContact CG-CB 4.17Å; L286-I1085 HydrophobicContact CG-CD1 4.38Å; L286-I1085 HydrophobicContact CG-CG1 4.47Å; L286-L1098 HydrophobicContact CD2-CD2 4.35Å; L286-N1102 PolarHBondContact O-ND2 3.04Å; L286-N1102 PolarHBondContact O-OD1 3.09Å; L286-I1105 VanDerWaalsContact C-CD1 3.41Å; L286-I1105 VanDerWaalsContact O-CB 3.28Å; L286-I1105 WeakPolarHBondContact O-CB 3.21Å; L286-I1105 WeakPolarHBondContact O-CG2 3.16Å
287V38.9Very low30.2Very low83 Ų83120.4 Ų120.450%0.50361%0.609SS.*  cis172.2164.1-37.4137.70000111.6I1085 I1105V287-I1085 HydrophobicContact CB-CD1 4.14Å; V287-I1085 HydrophobicContact CG1-CD1 3.64Å; V287-I1105 HydrophobicContact CG2-CD1 4.19Å
288D33Very low30.1Very low145 Ų145121.9 Ų121.978%0.77562%0.616SS**  trans81.5136.5155.3-85-21.5000126.6
289R29.5Very low30.3Very low194 Ų194122.9 Ų122.973%0.73262%0.616SS**  trans169.6150.5141.7-92.9-169.991107.617.9108.4
290D27.3Very low30.3Very low99 Ų99124 Ų12453%0.52962%0.624SS.*  cis-136.4157.33.7-95-57.7000108.2
291L30.4Very low30.2Very low136 Ų136124.2 Ų124.271%0.71263%0.625SS**  63.9149.463.7-68.1178.2000116.1
292T28.4Very low29.9Very low89 Ų89122.9 Ų122.955%0.54662%0.623SS.*  cis-111-112.79.1-28.70000114.5F294T292-F294 HydrophobicContact CG2-CD2 4.41Å; T292-F294 HydrophobicContact CG2-CE2 3.9Å
293E28.7Very low30Very low154 Ų154124.7 Ų124.772%0.7265%0.646SS**  cis-158.2174.60.5-155.457.4-91.100111.2
294F28.8Very low29.9Very low174 Ų174122.2 Ų122.276%0.76364%0.64SS**  trans-115.7150.8-158.6-65.6-86.4000119T292T292-F294 HydrophobicContact CG2-CD2 4.41Å; T292-F294 HydrophobicContact CG2-CE2 3.9Å
295S27.3Very low29.6Very low107 Ų107125.8 Ų125.875%0.74867%0.667SS**  179.4149.2129.3-103.20000108.6
296E25.1Very low28.4Very low182 Ų182133.7 Ų133.785%0.8570%0.698SS**  cis-155.2171.23.3-143.3163.2-174.200109.4
297L25.3Very low28.2Very low164 Ų164136.8 Ų136.886%0.85972%0.722SS**  trans-102.1144.1170.7-79.679.4000110.6
298E24.7Very low27.5Very low178 Ų178139.4 Ų139.483%0.83274%0.737SS**  -162.6128123-122.7177.9176.600116.2
299Y26.5Very low27.2Very low199 Ų199137.3 Ų137.378%0.7873%0.734SS**  trans45.9150.8142.9-88.6-114.5000125.1
300S29.1Very low27.9Very low121 Ų121133.3 Ų133.385%0.84673%0.733SS**  trans-147.7123.3157.1-161.90000109.8
301E27.3Very low27.9Very low166 Ų166136.6 Ų136.678%0.77674%0.743SS**  trans-141.7104.6175.1-168.1170.1178.700108.1
302M24.1Very low27.9Very low156 Ų156134.4 Ų134.477%0.76874%0.744SS**  80.3129.586.6-147.771.7155.500113.6
303G32.2Very low27.9Very low78 Ų78137.3 Ų137.380%0.80475%0.752SS**  trans166.1107.517400000115.6
304S27.1Very low27.8Very low54 Ų54135.2 Ų135.238%0.37875%0.754SS.*  trans-149.8124.5171.2-177.80000112.9S879S304-S879 PolarHBondContact OG-OG 3.31Å
305S27.8Very low27.7Very low107 Ų107131 Ų13175%0.74875%0.752SS**  trans-162.3127.8169.253.70000108.6
306F26Very low27.6Very low199 Ų199132.7 Ų132.787%0.87375%0.751SS**  5413391-92.7-115.9000114.4
307S24.8Very low27.5Very low88 Ų88130.6 Ų130.662%0.61574%0.744SS**  cis-174.7-172.9-2.248.70000112.3
308V24.8Very low27.4Very low137 Ų137129 Ų12983%0.8374%0.741SS**  trans86.1151.3165.2-171.80000116.9
309S26.7Very low27.3Very low101 Ų101124.6 Ų124.671%0.70674%0.735SS**  trans-109.6-169.1-168.160.90000109.9
310P44.3Very low27.3Very low110 Ų110122.5 Ų122.571%0.71474%0.737SS**  cis-147.9160.913.644.5-24.1000120.3
311K27Very low27.8Very low168 Ų168121.4 Ų121.473%0.7373%0.727SS**  trans50111130-170.3-175.8177.1176.90122.1E313K311-E313 WeakPolarHBondContact CE-OE2 3.39Å; K311-E313 IonicContact NZ-OE2 2.65Å
312A29.7Very low27.6Very low90 Ų90122.7 Ų122.774%0.74473%0.725SS**  -169.9125123.700000107.4
313E29Very low27.6Very low150 Ų150121.5 Ų121.570%0.70172%0.717SS**  64.4123.259.1-64.7-178.7136.900113.9K311K311-E313 WeakPolarHBondContact CE-OE2 3.39Å; K311-E313 IonicContact NZ-OE2 2.65Å
314S27.3Very low27.1Very low110 Ų110125.7 Ų125.777%0.76972%0.716SS**  cis-171.5167-954.80000112.1
315A26.3Very low26.8Very low86 Ų86129.4 Ų129.471%0.71173%0.731SS**  trans75.1161.1153.600000117.8
316I23.6Very low26.7Very low142 Ų142131.5 Ų131.573%0.72873%0.732SS**  cis-164.4147-6.8-134.3170.5000113.3
317I24.1Very low26.6Very low138 Ų138127.2 Ų127.271%0.70872%0.722SS**  trans61.7119.9142.8-80.3167.7000124
318V23Very low26.7Very low132 Ų132131.7 Ų131.780%0.873%0.73SS**  73.5139.9128.7173.80000124.3
319A23.6Very low26.9Very low85 Ų85131.1 Ų131.170%0.70272%0.722SS**  trans76.9121.9152.700000122.5
320N25.8Very low27Very low154 Ų154132.4 Ų132.482%0.82472%0.715SS**  trans-64.6134.9148.2-175.617.1000109.5
321P39.5Very low26.1Very low99 Ų99134.8 Ų134.864%0.64372%0.717SS**  -149.9169.2102.340.8-25.3000116.1
322R23.8Very low26.3Very low193 Ų193133.5 Ų133.573%0.72871%0.713SS**  trans78.3127149.1-85.7-175.4179.4-113.6-4.3121.3
323E23.3Very low26.1Very low130 Ų130136.4 Ų136.461%0.60771%0.711SS**  50.2113.6121.3-62.1164.7-179.200121.1
324E21.9Very low25.9Very low166 Ų166134.4 Ų134.478%0.77671%0.706SS**  52.8122.1114.2-84.5-165130.900123.2
325I21.7Very low26Very low133 Ų133136.5 Ų136.568%0.68271%0.707SS**  trans82.3149.6139.3-53.2159.6000118.6V327I325-V327 HydrophobicContact CG2-CG2 4.38Å
326I24.5Very low25.9Very low151 Ų151137.7 Ų137.777%0.77471%0.705SS**  trans100.976.9172-50.8-174.5000113
327V25Very low26.5Very low109 Ų109135.9 Ų135.966%0.66171%0.705SS**  68.5110.367.3-178.10000113.5I325I325-V327 HydrophobicContact CG2-CG2 4.38Å
328K26.2Very low26.5Very low181 Ų181136 Ų13679%0.78771%0.707SS**  -169.2119.9115.2-103.9-177.7-177.7173.60113.9
329N28.8Very low26.6Very low126 Ų126134 Ų13467%0.67469%0.693SS**  trans65.7137.9131.8-60.814.8000119.3
330K28.4Very low27.1Very low128 Ų128137.5 Ų137.556%0.55770%0.698SS**  cis-152.8151.10.7-143.6176.6165.9-690111.6E332K330-E332 IonicContact NZ-OE1 2.61Å; K330-E332 PolarHBondContact NZ-OE1 3.14Å; K330-E332 IonicContact NZ-OE2 2.67Å; K330-E332 PolarHBondContact NZ-OE2 3.32Å
331E26.6Very low27.1Very low160 Ų160134.2 Ų134.275%0.74868%0.68SS**  trans-72.8-173.3162.6-46.7106.4125.900112
332E31.3Very low26.4Very low141 Ų141133.3 Ų133.366%0.65967%0.667SS**  trans112.5121.8160.1-68.1165.8-160.400115.1K330K330-E332 IonicContact NZ-OE1 2.61Å; K330-E332 PolarHBondContact NZ-OE1 3.14Å; K330-E332 IonicContact NZ-OE2 2.67Å; K330-E332 PolarHBondContact NZ-OE2 3.32Å
333E25.3Very low26.8Very low150 Ų150130.9 Ų130.970%0.70167%0.668SS**  cis-169.4175.7-9-134.4176.8-162.400112.2
334N23.5Very low27.2Very low109 Ų109130 Ų13058%0.58366%0.664SS**  trans44.7112.3148.7-76.8-54.4000118.3
335L30.5Very low27.9Very low153 Ų153127.8 Ų127.880%0.80165%0.654SS**  -166.4148.166.4-75.9159.3000108.4
336V24.6Very low29Very low111 Ų111128.3 Ų128.367%0.67365%0.653SS**  cis85.8132.534.21780000113.8
337S34.2Very low29.8Very low104 Ų104128.7 Ų128.773%0.72766%0.656SS**  trans77.5100.7-170.7-29.40000111.6
338N25.5Very low30.5Very low140 Ų140129.2 Ų129.275%0.74966%0.661SS**  cis64.9126.225.3-112.174.9000113.5
339N25.1Very low30.7Very low92 Ų92128 Ų12849%0.49266%0.662SS.*  trans70.9151.8175.6-49.238.1000111.6
340I33.5Very low30.7Very low157 Ų157126.2 Ų126.281%0.80567%0.665SS**  cis-132.5115.628.5-64.8171.2000112
341L25.7Very low30.6Very low85 Ų85127.3 Ų127.345%0.44568%0.676SS.*  3494.6125.3-162.474.8000118.7E188 T189E188-L341 HydrophobicContact CG-CD1 3.6Å; E188-L341 WeakPolarHBondContact OE1-CA 3.35Å; E188-L341 WeakPolarHBondContact OE1-CB 3.25Å; E188-L341 WeakPolarHBondContact OE1-CD1 3.28Å; E188-L341 PolarHBondContact OE1-N 2.89Å; T189-L341 HydrophobicContact CG2-CD1 3.62Å
342H26Very low30.4Very low81 Ų81125.2 Ų125.238%0.37567%0.674SS.*  28.5106.4120.6179.6-63.1000117.6
343N30.7Very low30.1Very low142 Ų142127.5 Ų127.576%0.75968%0.682SS**  trans-147.4111.8144.4-108.1-104.2000106.5
344Q33.2Very low30Very low110 Ų110127.9 Ų127.951%0.51469%0.688SS.*  76.8133.890.2-80.9-86.3-55.900113.9
345Q36.5Very low30Very low121 Ų121127.7 Ų127.757%0.56569%0.691SS**  cis174.7134.4-34.6152.8158.193.300107.8
346E44.7Very low29.7Very low144 Ų144127.7 Ų127.767%0.67368%0.684SS**  cis-145.9108.4-35.8-112.9102.5-138.900104.6
347L41.8Very low29.8Very low159 Ų159128.4 Ų128.483%0.83268%0.68SS**  trans-168170.4-155.2-92.3159.4000108.4
348P38.8Very low29.8Very low119 Ų119132.5 Ų132.577%0.77369%0.688SS**  cis-126.5-125.8-10.137.8-17.6000112.4
349I30.4Very low29.8Very low155 Ų155132.5 Ų132.580%0.79569%0.688SS**  trans-131.4136-157.1-65.6166.8000113.4
350A29.3Very low30Very low89 Ų89136.7 Ų136.774%0.73671%0.705SS**  trans61.3157.4163.400000117.7
351L24.9Very low29.8Very low151 Ų151135.8 Ų135.879%0.79171%0.706SS**  cis-163.6138.931.1-173.5114.3000113.1
352T24Very low29.7Very low116 Ų116138.4 Ų138.471%0.71272%0.718SS**  trans65.6141161.651.10000124.6
353K24.3Very low29.5Very low189 Ų189139.9 Ų139.982%0.82274%0.737SS**  trans79.5103.6144.5-80.6-178.6177-1740122.5
354L22.8Very low29.1Very low158 Ų158141.6 Ų141.683%0.82775%0.745SS**  73.4144.3115.1-149.377.9000121.2
355V23.1Very low28.8Very low105 Ų105140 Ų14064%0.63676%0.759SS**  trans92.3101.9159.5-169.90000119
356K25.5Very low28.3Very low154 Ų154144.1 Ų144.167%0.6777%0.774SS**  trans52.1177.9133.3-48.8168.488.6-144.20117.7
357E25.2Very low27.5Very low125 Ų125141.7 Ų141.758%0.58478%0.779SS**  cis-154159.16.6-161.5111.4-152.100110.8
358E35.3Very low26.7Very low191 Ų191142.6 Ų142.689%0.89378%0.776SS**  trans-12685161-76.2-172.1-162.100110.3
359D24.8Very low25.9Very low139 Ų139142.5 Ų142.574%0.74377%0.77SS**  trans-171.6148.8150.2-109.4-13000107.7
360E30.4Very low25.5Very low181 Ų181139.6 Ų139.685%0.84676%0.763SS**  6314873.7-158.8153.9179.600115.3M362E360-M362 PolarHBondContact O-N 3.29Å
361V29.4Very low25.3Very low138 Ų138143.2 Ų143.284%0.83676%0.762SS**SBendtrans-92.296.7-150.8-176.90000113.1
362M22.5Very low25.3Very low140 Ų140143.5 Ų143.569%0.6977%0.765SS**  trans61.6114.1140.4-169.8150.3-81.500119.5E360E360-M362 PolarHBondContact O-N 3.29Å
363S23Very low25.3Very low111 Ų111143.1 Ų143.178%0.77676%0.755SS**  trans106.9132.1139.477.40000121.1
364L22.1Very low25.3Very low179 Ų179142.1 Ų142.194%0.93775%0.75SS**  trans72.4102.5143.2-161.871.4000120
365G25.7Very low25.5Very low77 Ų77144.7 Ų144.779%0.79475%0.749SS**  trans-165.9126.216200000112.3
366K25.7Very low25.7Very low206 Ų206146.1 Ų146.190%0.89675%0.752SS**  trans-100.8169.1179.1-84.7-166.9177.6-174.20112.2
367A27.7Very low25.8Very low94 Ų94142.9 Ų142.978%0.77775%0.754SS**  trans77.1129.7169.300000114.2
368K24.8Very low25.7Very low177 Ų177143.8 Ų143.877%0.7777%0.767SS**  cis73.3121.337.5-160.9-173.2-169.9-820112.5
369D23Very low25.1Very low118 Ų118143.5 Ų143.563%0.63177%0.766SS**  trans75.2139.7155.7-94.8-47.9000123.1
370S22.9Very low25.1Very low93 Ų93141 Ų14165%0.6576%0.764SS**  trans93.8126.1135.475.40000121.7
371F23.2Very low25.6Very low166 Ų166137.4 Ų137.473%0.72876%0.757SS**  48.7111.1129.1-74.6-118.8000118.6E373F371-E373 HydrophobicContact CD1-CB 3.98Å; F371-E373 HydrophobicContact CD1-CG 4.28Å
372N26.3Very low25.2Very low157 Ų157138.5 Ų138.584%0.8476%0.755SS**  -146133.285.439.4104.3000109.6
373E24.1Very low25.4Very low107 Ų107141 Ų14150%0.576%0.757SS.*  cis94115.932.1-174.3-166.3162.300113.1F371F371-E373 HydrophobicContact CD1-CB 3.98Å; F371-E373 HydrophobicContact CD1-CG 4.28Å
374K23.7Very low25.7Very low168 Ų168141.6 Ų141.673%0.7375%0.747SS**  trans57.4131.8161.6-63.3164.3-162.3156.70115.1
375R27Very low26Very low212 Ų212140.1 Ų140.180%0.874%0.735SS**  -166.9138.869.3-92.1-178.1165.8-116.8-7.7113.2
376I26.9Very low26.1Very low136 Ų136146.4 Ų146.470%0.69774%0.737SS**  62.7128.4128.1-59.8173.7000116.7
377A27.8Very low26.4Very low86 Ų86141.5 Ų141.571%0.71173%0.734SS**  cis-153.4156.95.400000112.6
378V23.7Very low26.5Very low143 Ų143143 Ų14387%0.86773%0.73SS**  trans-80.5128.3142.9171.40000107.4
379E22.6Very low26.7Very low185 Ų185144 Ų14486%0.86473%0.734SS**  -174.3160.7125.2-166.2151.4-156.600110
380A25.4Very low27.1Very low86 Ų86147.2 Ų147.271%0.71174%0.742SS**  trans-89.9-147.7177.300000109.6
381P39.2Very low28Very low106 Ų106147.8 Ų147.869%0.68874%0.744SS**  cis-138.8-168.312.640.1-17.1000115.4
382M21.5Very low28.3Very low161 Ų161150.2 Ų150.279%0.79376%0.755SS**  trans39.6121.7140-78172.8176.100118.1
383R28.1Very low28.2Very low194 Ų194151.9 Ų151.973%0.73276%0.757SS**  157.3-174.754.157.7-149.9-145.1-59-35.9106.7
384E29Very low28.4Very low122 Ų122157.5 Ų157.557%0.5777%0.774SS**  cis-145.6129.46.9-120.4131.9-148.300103.6
385E28.6Very low28.5Very low148 Ų148155.9 Ų155.969%0.69278%0.778SS**  84.5111.779-159.7176.8176.500115.2
386Y27Very low28.7Very low210 Ų210156.7 Ų156.782%0.82478%0.781SS**  trans62.1126.1153.9-77.2-140.4000121.7
387A31.7Very low28.5Very low102 Ų102158.6 Ų158.684%0.84379%0.787SS**  -147.9136.5115.400000110.2
388D30.3Very low28.5Very low127 Ų127159.5 Ų159.568%0.67978%0.783SS**  trans-85.2172.1171-174.116.1000110.4
389F29.1Very low28.6Very low198 Ų198160.7 Ų160.787%0.86878%0.777SS**  trans154.686.6142.2-79.5-56.8000112.5
390K30.8Very low28.9Very low185 Ų185158.2 Ų158.280%0.80477%0.77SS**  trans-66.4175.4144.4-85-177.9178.5176.70110.6
391P43Very low29Very low104 Ų104160 Ų16068%0.67578%0.777SS**  cis-128.5-177-39.238-23.7000110.7
392F27.7Very low28.5Very low218 Ų218162.8 Ų162.896%0.95678%0.778SS**  trans-151.4155.9152-102.3-66.1000113.9
393E25.3Very low28.7Very low191 Ų191161.9 Ų161.989%0.89377%0.772SS**  trans-97.7168.5-174.9-75.4-175.292.900114.6
394R28.6Very low28.6Very low225 Ų225159.3 Ų159.385%0.84977%0.773SS**  trans-67.3143.6168.9175-163.2-59.9134.7-2.2111.7
395V25.8Very low28.6Very low134 Ų134158.6 Ų158.681%0.81278%0.781SS**  trans178158.1134.9144.80000112.5
396W29.9Very low28.5Very low229 Ų229158.6 Ų158.687%0.86779%0.786SS**  trans-74.7159.7-175.6-55.874.4000115.4
397E23.3Very low28.6Very low176 Ų176153.5 Ų153.582%0.82278%0.777SS**  -158.5-177.8128.4-127.8-163.1153.700114.2
398V27.6Very low28.5Very low105 Ų105156.3 Ų156.364%0.63678%0.776SS**  trans-130.3145.2-162.8168.10000112
399K25.6Very low28.4Very low169 Ų169154.2 Ų154.274%0.73578%0.777SS**  trans-173.1117.3143.2-107.2157.5-166.9108.20118.2
400D29.5Very low28.4Very low133 Ų133150.1 Ų150.171%0.71178%0.78SS**  35.7132124.5-47.9-29.2000123.4
401S27.3Very low28.1Very low124 Ų124145.1 Ų145.187%0.86778%0.781SS**  trans-157.3152.9139.3-81.20000111.4
402K28.6Very low27.2Very low164 Ų164144 Ų14471%0.71379%0.788SS**  trans-92.7-170.3-174.2-42.6114.4129.6-680111.8
403E26.1Very low27.1Very low142 Ų142142 Ų14266%0.66478%0.779SS**  cis-160.2166.45.1-140.4107.1-121.800104.9
404D26.9Very low27.5Very low139 Ų139140.1 Ų140.174%0.74377%0.773SS**  cis-162.2172.13.4-163.51.6000109.2
405S28.8Very low27.3Very low108 Ų108137.1 Ų137.176%0.75577%0.769SS**  trans66143.6166.273.80000119.3
406D25.5Very low27.1Very low148 Ų148135.3 Ų135.379%0.79176%0.762SS**  cis-162-157.8-23.4-162.222.2000105.1
407V29.9Very low26.9Very low103 Ų103133.5 Ų133.562%0.62476%0.76SS**  cis-155.81136.252.20000111.5
408L28.8Very low27Very low160 Ų160132 Ų13284%0.83876%0.757SS**  trans58.6149.6163.2-57.8170.2000119.2
409A28.4Very low26.8Very low84 Ų84135.1 Ų135.169%0.69477%0.765SS**  cis-166.9152.1-23.900000109.6
410A29.1Very low26.8Very low112 Ų112131.9 Ų131.993%0.92676%0.763SS**  trans63.8130175.400000117
411G25.2Very low26.7Very low80 Ų80134.4 Ų134.483%0.82577%0.768SS**  cis176.8139.3-7.500000111.7
412G24.3Very low26.8Very low80 Ų80133.3 Ų133.383%0.82576%0.756SS**  trans-103.6140.217400000111.7
413K24.5Very low26.9Very low177 Ų177132.5 Ų132.577%0.7776%0.76SS**  trans-152.5137.4152.3-145.3-171.5165.7-73.10112
414I32.9Very low27.3Very low151 Ų151134 Ų13477%0.77476%0.764SS**  trans-84.3159.9163.5-58.2171.2000107.9
415E24.3Very low27.5Very low162 Ų162136.2 Ų136.276%0.75777%0.767SS**  trans93.1136.5148.8-139.8178.6-159.300120.5
416S22.8Very low27.3Very low96 Ų96134.3 Ų134.367%0.67176%0.764SS**  trans87.3130.6150.377.90000120.5
417K25.3Very low27.3Very low190 Ų190135.1 Ų135.183%0.82676%0.761SS**  trans58123.8160.7-67.2-173.8175.9-1760117.6
418L25Very low27.1Very low145 Ų145133.9 Ų133.976%0.75976%0.762SS**  6110963.8-173.8121.2000112.5
419E23.6Very low26.9Very low171 Ų171133 Ų13380%0.79976%0.758SS**  162.8159.7118.6-169.3157.8179.700113
420S26.4Very low26.9Very low100 Ų100134 Ų13470%0.69976%0.759SS**  trans80.1104.7163.471.90000120.7
421K26.9Very low26.7Very low187 Ų187135.1 Ų135.181%0.81375%0.749SS**  48.5127.9119.5-68-174.4179.9-175.10119.5
422V29.4Very low26.8Very low101 Ų101137.8 Ų137.861%0.61274%0.74SS**  cis59.997.943.5-170.50000114.6K424V422-K424 HydrophobicContact CG1-CD 4.13Å; V422-K424 HydrophobicContact CG1-CG 4.3Å
423D30.6Very low26.9Very low147 Ų147141.3 Ų141.379%0.78674%0.735SS**  -163.3134.4123.5-91.2-34.2000107.6
424K35.5Very low27Very low173 Ų173137.8 Ų137.875%0.75273%0.729SS**  cis73.298.337.8-65.9-172.6171.9-178.20115.5V422V422-K424 HydrophobicContact CG1-CD 4.13Å; V422-K424 HydrophobicContact CG1-CG 4.3Å
425K30.6Very low26.7Very low185 Ų185137 Ų13780%0.80473%0.726SS**  trans-170.7147.8136.9-108157.9-178.2165.80109.6F427K425-F427 HydrophobicContact CB-CE2 4.32Å; K425-F427 HydrophobicContact CD-CE2 3.85Å; K425-F427 HydrophobicContact CD-CZ 4.01Å; K425-F427 HydrophobicContact CG-CD2 4.16Å; K425-F427 HydrophobicContact CG-CE2 3.78Å; K425-F427 HydrophobicContact CG-CZ 4.24Å
426G25.3Very low26.9Very low68 Ų68137 Ų13770%0.70173%0.726SS**  cis-167.1-165.8-4.300000109.2
427F23.9Very low27.1Very low166 Ų166139.2 Ų139.273%0.72873%0.726SS**  cis-162.1158.910.1-116.1-83.5000109.3K425K425-F427 HydrophobicContact CB-CE2 4.32Å; K425-F427 HydrophobicContact CD-CE2 3.85Å; K425-F427 HydrophobicContact CD-CZ 4.01Å; K425-F427 HydrophobicContact CG-CD2 4.16Å; K425-F427 HydrophobicContact CG-CE2 3.78Å; K425-F427 HydrophobicContact CG-CZ 4.24Å
428A25.8Very low27.4Very low77 Ų77137.1 Ų137.164%0.63672%0.717SS**  trans67.5147.8150.500000119.8
429D26Very low27.6Very low141 Ų141135.8 Ų135.875%0.75471%0.71SS**  cis-166.4158.7-22.2-111.9-46.1000112
430S28.5Very low28.1Very low104 Ų104131.9 Ų131.973%0.72770%0.702SS**  trans66.3160.6160.3-55.60000117.7
431L25.1Very low28.3Very low137 Ų137135.5 Ų135.572%0.71771%0.708SS**  cis-150.9149.94.2-159.660.9000111.6
432E25.9Very low28.4Very low136 Ų136131 Ų13164%0.63670%0.699SS**  trans47.1123.2152.1-74.1176.6143.800122.9
433Q27.7Very low28.5Very low153 Ų153130.4 Ų130.472%0.71570%0.7SS**  77.3143.2106.7-70.4-177.930.500116.4
434T25.6Very low28.6Very low104 Ų104129.3 Ų129.364%0.63869%0.694SS**  cis-143.21320.136.20000108.5
435N26.1Very low28.5Very low135 Ų135127.1 Ų127.172%0.72269%0.69SS**  72.315383.9-60.4-38.7000117.1
436H29.1Very low28.5Very low160 Ų160124.7 Ų124.774%0.74169%0.686SS**  trans74139.4172.7-73.9-96.8000116.7
437E27.7Very low28.5Very low144 Ų144126.5 Ų126.567%0.67368%0.684SS**  cis-150.7127.8-0.9-156.5134.5-176.600107.7
438K30.9Very low28.6Very low146 Ų146123.9 Ų123.964%0.63569%0.686SS**  55.4152.999.3-61.1174.9125.7-66.20115.8
439D29.6Very low29.1Very low116 Ų116129.8 Ų129.862%0.6270%0.698SS**  cis-160.7169.74.3-111.8-3.6000109.4
440S34.3Very low29.7Very low89 Ų89129 Ų12962%0.62270%0.701SS**  trans38.8160.6141.8-66.10000122.8
441E30.5Very low29.5Very low177 Ų177129.3 Ų129.383%0.82770%0.703SS**  cis-161.6174.3-13.6-108.1162.482.300104.9
442S29Very low30.2Very low91 Ų91128.6 Ų128.664%0.63670%0.704SS**  cis-148.1151.318.4650000109.3
443S31.3Very low30.6Very low89 Ų89127.9 Ų127.962%0.62271%0.711SS**  51.7135.594.1111.40000116.2
444N32.5Very low30.4Very low124 Ų124129.1 Ų129.166%0.66372%0.717SS**  cis-168161.8-1.1-112.925.6000109.3
445D34.1Very low30.4Very low127 Ų127128 Ų12868%0.67972%0.718SS**  trans38.5158.9140.5-32.7-31.9000122
446D28.7Very low30.4Very low134 Ų134129.4 Ų129.472%0.71772%0.724SS**  cis-162.8167.96.4-143.8-17.1000114.8
447T26.8Very low30.3Very low106 Ų106129.8 Ų129.865%0.6572%0.724SS**  trans56.5118.6150.850.70000125.2
448S25.6Very low30.2Very low112 Ų112129.5 Ų129.578%0.78373%0.727SS**  87140.112175.40000124.1
449F36Very low30.2Very low200 Ų200133.4 Ų133.488%0.87774%0.737SS**  trans-84.8163.1160.3-68.3-96.1000111
450P38.3Very low30Very low126 Ų126133.1 Ų133.182%0.81875%0.745SS**  -147.3-173107.240.5-25.4000115.5
451S25.6Very low29.9Very low109 Ų109132.6 Ų132.676%0.76275%0.754SS**  trans-87.3176.6-172.7-46.60000116.1
452T37.9Very low29.9Very low123 Ų123129 Ų12976%0.75575%0.753SS**  trans-26.4149.6163.6500000119.4
453P34.6Very low29.9Very low120 Ų120135.5 Ų135.578%0.77977%0.766SS**  -116.5149.2126.236.5-29.9000110.1
454E23.7Very low29.7Very low179 Ų179138.2 Ų138.284%0.83677%0.772SS**  cis83.1123.114.7-139.2-159.9149.400118.5
455A27Very low29.4Very low80 Ų80138.9 Ų138.966%0.66178%0.78SS**  trans80.7159.4153.100000121.9
456I25.1Very low29Very low166 Ų166138 Ų13885%0.85178%0.783SS**  trans88133.7167-56.3172.3000116.7
457K27.4Very low29.4Very low168 Ų168136.1 Ų136.173%0.7379%0.786SS**  cis-173.5151.4-32.2-144.6178.8177.1178.30109.8
458D26.2Very low29.9Very low138 Ų138135.9 Ų135.974%0.73879%0.787SS**  trans62.5161.9167.1-50.8-49.1000114.5
459R28.9Very low29.8Very low227 Ų227139.9 Ų139.986%0.85779%0.79SS**  cis-147.7155.59.2-160.6171.1-173.6152.92.3112.1
460S26.3Very low29.9Very low111 Ų111137.5 Ų137.578%0.77679%0.787SS**  trans-54.7142172.756.80000115
461G33.4Very low30.1Very low78 Ų78137.7 Ų137.780%0.80479%0.788SS**  trans-157.258.5174.100000113.5
462A28.7Very low30.1Very low100 Ų100137.1 Ų137.183%0.82679%0.79SS**  trans-84.7128.3-178.200000112.8
463Y29.2Very low29.7Very low228 Ų228135.7 Ų135.789%0.89479%0.791SS**  trans-156.5139.7134.952.6-93.2000112.3
464I27.5Very low29.4Very low147 Ų147135.6 Ų135.675%0.75479%0.788SS**  trans-85.9147.6170.2-65.6156.7000108.2
465T26.8Very low29.6Very low137 Ų137134.9 Ų134.984%0.8479%0.785SS**  trans-170.2137.4134.9-71.60000108.6
466C25.1Very low29.5Very low108 Ų108136.1 Ų136.173%0.7379%0.788SS**  trans-108.7129.7-170.6-56.40000112.8
467A36.6Very low29.8Very low95 Ų95135.7 Ų135.779%0.78579%0.786SS**  trans62.3-174.5154.400000115.8
468P38.1Very low30Very low102 Ų102131.7 Ų131.766%0.66278%0.784SS**  cis-132.3-171-7.423.72.3000115.1
469F22.9Very low30.1Very low195 Ų195130.6 Ų130.686%0.85578%0.782SS**  trans78.7122.2162.5-70.9-77000121.6
470N39Very low29.9Very low151 Ų151126.1 Ų126.181%0.80778%0.776SS**  trans-77.4156.9145.7-69.5-44.2000109.8
471P42.8Very low30Very low130 Ų130127.8 Ų127.884%0.84477%0.774SS**  -141-169.110437.5-22.5000113.9
472A25.3Very low29.7Very low97 Ų97132.7 Ų132.780%0.80277%0.774SS**  trans-110.6-174.9-163.100000115.6
473A29.6Very low30.4Very low93 Ų93132.8 Ų132.877%0.76977%0.766SS**  trans78.8147.5170.700000116
474T27.2Very low30.3Very low117 Ų117129 Ų12972%0.71876%0.761SS**  cis-160.8169.1-2.930000112.5
475E27.8Very low30.3Very low165 Ų165128.7 Ų128.777%0.77176%0.76SS**  trans71.1117.2142.4-78.7175138.500124.9
476S26.2Very low30.3Very low105 Ų105125.1 Ų125.173%0.73475%0.75SS**  85.7154.8120.687.30000120.9
477I31Very low30.3Very low158 Ų158126.5 Ų126.581%0.8175%0.75SS**  cis-166.7158.2-17.1-114.5171.6000112.1
478A30.9Very low29.8Very low83 Ų83129.4 Ų129.469%0.68675%0.747SS**  trans71.4159.6158.400000120.5
479T28.2Very low29.4Very low115 Ų115130.9 Ų130.971%0.70675%0.754SS**  cis-150.7157.214.1-27.40000114.8
480N26.4Very low29.7Very low134 Ų134127.1 Ų127.172%0.71775%0.752SS**  trans94.1137.3157.4-53.2-49.3000118.4
481I27.7Very low28.9Very low146 Ų146128.1 Ų128.175%0.74975%0.752SS**  cis-156.8158.7-17.2-120.4162000111
482F27.9Very low28.1Very low180 Ų180128.3 Ų128.379%0.78975%0.746SS**  trans-43.5170171.6-79.2-89.2000117.8
483P43Very low28Very low103 Ų103131.6 Ų131.667%0.66974%0.742SS**  cis-147.8162.828.631-6000122.4
484L27.2Very low27.9Very low149 Ų149132.3 Ų132.378%0.7874%0.737SS**  trans63.3147.3147.1-88.580.2000120.4
485L26.9Very low27.9Very low140 Ų140133.5 Ų133.573%0.73374%0.739SS**  cis-163.6129.5-16.5-172.957.2000113.2
486G26.9Very low27.9Very low61 Ų61133.3 Ų133.363%0.62974%0.738SS**  trans70.5161.3144.200000120.9
487D25.8Very low28.2Very low137 Ų137137 Ų13773%0.73374%0.741SS**  cis-156.7160.5-18.4-107.7-24.4000112.8
488H26Very low28.4Very low157 Ų157137.7 Ų137.773%0.72774%0.738SS**  trans-63161.6-167.7-52-76.6000119.2
489T28.6Very low28.9Very low132 Ų132139.7 Ų139.781%0.8174%0.736SS**  trans39.6136.9137.459.10000121.9
490S28.7Very low29.4Very low117 Ų117141 Ų14182%0.81873%0.734SS**  -171.7160.7119.462.60000115.4
491E23.3Very low29.5Very low171 Ų171140.4 Ų140.480%0.79973%0.727SS**  trans-33.8146.7162.2-69.7170.881.700119.4
492N24.7Very low29.8Very low134 Ų134140.5 Ų140.572%0.71772%0.722SS**  44.2143.3115.9-158.217000121.4
493K25.1Very low30.2Very low167 Ų167140.6 Ų140.673%0.72672%0.722SS**  trans70115.7159.8-91.7-175.2173.7-175.30119.2
494T27.2Very low29.6Very low108 Ų108140 Ų14066%0.66373%0.726SS**  46.9100.6103.6-50.30000116.3
495D27.4Very low29.5Very low141 Ų141141.5 Ų141.575%0.75473%0.729SS**  -168.814189.1-111.2-31.5000116.9
496E27Very low29.6Very low162 Ų162141.1 Ų141.176%0.75773%0.726SS**  trans7.8113.5137.5-170.8-170-110.900118.8
497K32.9Very low29.9Very low183 Ų183145.1 Ų145.180%0.79674%0.738SS**  trans-166.6100.7141.4-115.3177.1-158.171.70115
498K35Very low30Very low171 Ų171144.3 Ų144.374%0.74374%0.739SS**  161.4135.2104.9-95.6-174.1151.1-162.40113.7
499I40.3Very low30.1Very low125 Ų125144.1 Ų144.164%0.64174%0.738SS**  trans63.6125.6134.2-62.5177.6000116.1
500E39.8Very low30.2Very low142 Ų142147.4 Ų147.466%0.66474%0.741SS**  cis-162.6105.7-5.4-15674.1-110.300103.9
501E28.2Very low30Very low122 Ų122147.6 Ų147.657%0.5773%0.733SS**  85.5137.288.5-159.8-144.117600113.5
502K34.9Very low30.2Very low149 Ų149145.1 Ų145.165%0.64873%0.73SS**  trans73.4139172.4-49.7-166.817589.30115.1
503K35.7Very low30.3Very low181 Ų181143.5 Ų143.579%0.78773%0.729SS**  cis-168.4149.3-0.4-122.5176.4-179.7-174.20110.6
504A30.3Very low30.3Very low92 Ų92141.3 Ų141.376%0.7673%0.729SS**  trans63.5133.7158.700000116.7
505Q25.6Very low30.1Very low179 Ų179145.3 Ų145.384%0.83674%0.738SS**  cis58.3142.20.2-143.7-171.751.800118.4
506I28.6Very low30.3Very low132 Ų132144 Ų14468%0.67774%0.735SS**  trans88.789.1172.4-50.7173.7000115.2T508I506-T508 PolarHBondContact O-N 3.42Å; I506-T508 VanDerWaalsContact O-N 3.16Å; I506-T508 PolarHBondContact O-OG1 2.87Å
507V32.7Very low30.4Very low145 Ų145140.8 Ų140.888%0.87973%0.73SS**  trans-20108.6141.9177.40000112.7
508T28.5Very low30Very low121 Ų121139.1 Ų139.174%0.74273%0.73SS**  trans-137.8122.5167.3-47.90000104.8I506I506-T508 PolarHBondContact O-N 3.42Å; I506-T508 VanDerWaalsContact O-N 3.16Å; I506-T508 PolarHBondContact O-OG1 2.87Å
509E28.5Very low30.3Very low153 Ų153135.8 Ų135.872%0.71573%0.726SS**  cis-136.9134.950-167.5178.4154.100114.5N511E509-N511 PolarHBondContact OE1-ND2 3.41Å
510K28.9Very low29.6Very low201 Ų201137.8 Ų137.887%0.87473%0.73SS**  trans-101.4108.1168.7-99.7-178.6175.41710109.9
511N25.1Very low29.3Very low121 Ų121138 Ų13865%0.64774%0.736SS**  trans-159.5132.6171.8-87.5-39.7000107.8E509E509-N511 PolarHBondContact OE1-ND2 3.41Å
512T28.2Very low29.4Very low118 Ų118136.8 Ų136.872%0.72474%0.736SS**  cis-158.5160.8-5.440.80000109.5
513S25.6Very low29.2Very low100 Ų100134.2 Ų134.270%0.69974%0.742SS**  trans24.3135.4144.9158.40000120.7
514T25Very low28.9Very low121 Ų121129.5 Ų129.574%0.74274%0.738SS**  cis-169.2171.4-0.325.80000108.9
515K24.8Very low28.9Very low192 Ų192132.9 Ų132.984%0.83574%0.737SS**  trans73.7145.8166.3-75.7-169.4169.4-177.10117.6
516T30.3Very low28.9Very low115 Ų115130.1 Ų130.171%0.70673%0.729SS**  cis-166135.7-20.6-111.90000112.2
517S29.8Very low28.9Very low93 Ų93129.1 Ų129.165%0.6573%0.733SS**  trans52.2122.3152.4760000122.7
518N23.9Very low28.7Very low148 Ų148130 Ų13079%0.79173%0.728SS**  16164.994-56.330.2000117.9
519P42.4Very low28.6Very low102 Ų102129.4 Ų129.466%0.66272%0.724SS**  cis-116.6-151.62.746.2-33.8000110.8
520F25.9Very low28.5Very low166 Ų166128.8 Ų128.873%0.72873%0.726SS**  cis-153175.97.5-113.4151.2000107.3V522F520-V522 HydrophobicContact CD2-CB 4.44Å; F520-V522 HydrophobicContact CD2-CG2 3.58Å; F520-V522 HydrophobicContact CE2-CG2 3.45Å; F520-V522 VanDerWaalsContact CE2-CG2 3.45Å; F520-V522 HydrophobicContact CZ-CG2 4.47Å
521L31.9Very low28.2Very low148 Ų148127.9 Ų127.978%0.77572%0.718SS**  cis-112.1-173.87-70.5169.2000109.8
522V31Very low28.2Very low96 Ų96125.2 Ų125.258%0.58271%0.706SS**  cis86.181.88-172.40000115.4F520F520-V522 HydrophobicContact CD2-CB 4.44Å; F520-V522 HydrophobicContact CD2-CG2 3.58Å; F520-V522 HydrophobicContact CE2-CG2 3.45Å; F520-V522 VanDerWaalsContact CE2-CG2 3.45Å; F520-V522 HydrophobicContact CZ-CG2 4.47Å
523A31.1Very low28.1Very low94 Ų94123.5 Ų123.578%0.77770%0.695SS**  72.3152.377.100000113
524A29.8Very low28.4Very low83 Ų83124 Ų12469%0.68669%0.694SS**  cis-143.4-164.216.200000109.4
525Q28.7Very low28.6Very low162 Ų162121.6 Ų121.676%0.75768%0.677SS**  cis-158.5140.712.7-160.5154.12.600114.5
526D25.8Very low28.9Very low122 Ų122119.3 Ų119.365%0.65267%0.674SS**  trans17.9156.3148.4-41.3-28.1000122.9
527S29.9Very low28.9Very low110 Ų110121.4 Ų121.477%0.76968%0.68SS**  trans83.7150.1146.375.80000119.7
528E27.6Very low28.8Very low164 Ų164120.4 Ų120.477%0.76668%0.684SS**  cis-174.8134.4-23179.6167.6152.800108.7
529T26.9Very low29.2Very low108 Ų108122.7 Ų122.766%0.66369%0.687SS**  trans62.2149159.156.90000122.6
530D26.2Very low28.5Very low141 Ų141123.4 Ų123.475%0.75469%0.69SS**  trans59.4108.1134.1-67.24.1000122.3
531Y22.6Very low28.5Very low182 Ų182120.6 Ų120.671%0.71469%0.686SS**  71.696.8107.1-154-108.1000117.9R29R29-Y531 PolarHBondContact NH1-OH 3.38Å
532V25.7Very low28.4Very low64 Ų64121.6 Ų121.639%0.38869%0.687SS.*  87.4140.4117.1131.70000120.2R29R29-V532 VanDerWaalsContact NE-CG1 3.3Å
533T26.1Very low28.4Very low82 Ų82124.2 Ų124.250%0.50369%0.693SS.*  trans64.4149.617326.30000115.9R29R29-T533 HydrophobicContact CG-CG2 4.01Å
534T32.2Very low28.5Very low111 Ų111125.2 Ų125.268%0.68169%0.689SS**  cis-142.8140.3427.50000107
535D27.8Very low28.3Very low71 Ų71127 Ų12738%0.3869%0.691SS.*  59.596.371.3-162.13000113.9
536N31.1Very low28.5Very low143 Ų143123 Ų12377%0.76569%0.685SS**  trans80.1141.9151.5-95.9-71.6000124.5
537L29.7Very low28.6Very low159 Ų159124.5 Ų124.583%0.83269%0.693SS**  trans95.381.7136.9-156.370.6000123.6
538G29.7Very low28.4Very low72 Ų72127.9 Ų127.974%0.74270%0.699SS**  78.6148.3100.800000124.3
539K30.3Very low29.1Very low197 Ų197124.6 Ų124.686%0.85769%0.692SS**  trans82.5110150.3-82.6-158.1169.7-170.90123.4
540V28.4Very low29.2Very low117 Ų117128.4 Ų128.471%0.70970%0.702SS**  91.9147.1114.3166.40000121.6
541T26.2Very low29.2Very low106 Ų106125.1 Ų125.165%0.6570%0.701SS**  trans86126.8161.724.10000121.8
542E29.8Very low29.6Very low169 Ų169124 Ų12479%0.7971%0.707SS**  51.8148.4128.4-75.4166.7-17700121.7
543E30.2Very low29.9Very low152 Ų152126.8 Ų126.871%0.7173%0.725SS**  cis-167.7149.8-18.4-147.3-159.412700110.3
544V33.3Very low30.9Very low115 Ų115128.6 Ų128.670%0.69774%0.737SS**  trans71.7140.6138.5116.50000125
545V27.3Very low30.7Very low120 Ų120130.1 Ų130.173%0.72774%0.742SS**  trans76.688.3152.7171.10000122.8
546A33.3Very low31Very low77 Ų77133.2 Ų133.264%0.63676%0.757SS**  52.3145.396.400000125.8
547N26.4Very low31.2Very low155 Ų155132.4 Ų132.483%0.82976%0.757SS**  trans93.6111.7149.7-60.8-37.1000122.6
548M25.4Very low31.4Very low181 Ų181132.4 Ų132.489%0.89275%0.753SS**  25.6163.1123.3-97.4-15617200122.8
549P43.5Very low31.7Very low95 Ų95137.1 Ų137.162%0.61776%0.756SS**  cis-141.7-177.517.242.9-23.2000118.5
550E28.2Very low32Very low188 Ų188131.3 Ų131.388%0.87975%0.745SS**  trans48.2130.4144.6-73.1172141.200123.9
551G25.9Very low32.1Very low71 Ų71131 Ų13173%0.73275%0.746SS**  trans141.291.813400000121.1
552L31.9Very low32.5Very low159 Ų159134.5 Ų134.583%0.83276%0.755SS**  trans47.9102144.5-77.3153.8000121.2
553T31.5Very low32.6Very low123 Ų123131.2 Ų131.276%0.75575%0.751SS**  trans55.5151.4130.457.40000122.5
554P46.4Very low32.8Very low119 Ų119130.5 Ų130.577%0.77375%0.747SS**  cis-139.6-164.4-28.538.9-19.4000113
555D27.8Very low32.8Very low144 Ų144130 Ų13077%0.7774%0.741SS**  trans92.8152.3149.9-152.117.5000119.6
556L35.9Very low32.9Very low135 Ų135130.6 Ų130.671%0.70774%0.74SS**  trans65.3102.7166.2-110.572000121.4
557V33.6Very low32.7Very low126 Ų126134.6 Ų134.676%0.76475%0.745SS**  trans70.3154.4147.7-145.30000118.9
558Q34Very low32.8Very low160 Ų160132.2 Ų132.275%0.74874%0.736SS**  trans95.1138.9155.8-153.267.64.800118.3
559E36.7Very low33Very low171 Ų171130.3 Ų130.380%0.79973%0.734SS**  trans80.2143.5153.8-108.3178.9114.600124.1
560A35.9Very low32.4Very low75 Ų75129.2 Ų129.262%0.6274%0.741SS**  trans60.8117.3141.900000123.1
561C31.9Very low32.4Very low111 Ų111126.7 Ų126.775%0.7574%0.739SS**  62.3159.8128.1-610000123.2
562E34.7Very low32.5Very low179 Ų179132.2 Ų132.284%0.83674%0.742SS**  trans19.9131.9139-66.9159.3-16100118.6
563S31.4Very low32.5Very low100 Ų100131.8 Ų131.870%0.69974%0.739SS**  cis-174.3174.814470000112.9
564E33.8Very low32.5Very low136 Ų136129.4 Ų129.464%0.63673%0.732SS**  trans75.1156.1139.4-118.6179.69100124.3
565L32.7Very low31.8Very low106 Ų106134 Ų13456%0.55574%0.736SS**  trans61.9121.8158.2-59.4-173.4000122.9
566N29.2Very low31.9Very low132 Ų132134.4 Ų134.471%0.70673%0.733SS**  68.2154.7125.9-634.7000119.6
567E29.2Very low31.9Very low161 Ų161132.5 Ų132.575%0.75273%0.727SS**  cis-173.3-170.3-22.8-166-153.1139.200104.7
568V29.3Very low31.9Very low104 Ų104133 Ų13363%0.6372%0.719SS**  trans66.7109.7159.7-176.40000118.5
569T29.8Very low32Very low141 Ų141132.6 Ų132.687%0.86572%0.719SS**  trans69.2132.1151.8-55.60000118.8
570G31.3Very low31.6Very low73 Ų73128.4 Ų128.475%0.75370%0.702SS**  trans164.254.2168.300000117.2K572G570-K572 PolarHBondContact O-N 2.91Å
571T27.9Very low31.3Very low135 Ų135129.3 Ų129.383%0.82870%0.696SS**  trans-59.7135.1173.751.20000113
572K28.2Very low31.4Very low186 Ų186128.8 Ų128.881%0.80969%0.689SS**  trans70.6129.6146.6-147177.2-176.1173.50114.3G570G570-K572 PolarHBondContact O-N 2.91Å
573I31.8Very low31.4Very low151 Ų151129.4 Ų129.477%0.77469%0.692SS**  -172.312078.9-78.5151.7000104.1
574A31.1Very low31.4Very low73 Ų73129.9 Ų129.960%0.60369%0.691SS**  80.1119.853.900000115.1
575Y32.6Very low31.3Very low215 Ų215128 Ų12884%0.84369%0.692SS**  trans-123.6117.8150.7-70.7-82.8000104.5
576E29.2Very low31.1Very low152 Ų152131.1 Ų131.171%0.7170%0.704SS**  61.5118.182.9-67.1-163.8139.400111.2
577T36.4Very low30.9Very low96 Ų96130.9 Ų130.959%0.58971%0.707SS**  cis-156.9127.521.8-74.80000108.3G76G76-T577 CarbonylContact O-C 3.11Å
578K33.5Very low30.8Very low136 Ų136131.1 Ų131.159%0.59171%0.711SS**  83126.755.8-74.5-175176.4179.30117.4G76 A77G76-K578 PolarHBondContact O-N 3.27Å; A77-K578 CarbonylContact O-C 3.25Å; A77-K578 WeakPolarHBondContact O-CA 3.34Å; A77-K578 PolarHBondContact O-N 3.31Å
579M35.6Very low30.7Very low151 Ų151134.2 Ų134.274%0.74472%0.718SS**  trans101.9106.7166.1-58.9-16675.900115.5A77 P78A77-M579 PolarHBondContact O-N 3.35Å; P78-M579 PolarHBondContact O-N 2.89Å
580D29.2Very low30.7Very low84 Ų84136.5 Ų136.545%0.44972%0.719SS.*  90.4142.969.5-94.2-22.6000113.2L79L79-D580 WeakPolarHBondContact CA-OD1 3.29Å; L79-D580 PolarHBondContact N-OD1 3.17Å
581L29.9Very low30.5Very low94 Ų94138.1 Ų138.149%0.49272%0.719SS.*  cis-158.2154.2-2.1-179.662.6000111.3M80M80-L581 WeakPolarHBondContact O-CD1 3.31Å; M80-L581 WeakPolarHBondContact O-CD2 3.5Å
582V32Very low30.3Very low100 Ų100139.1 Ų139.161%0.60672%0.718SS**  trans2.8130.1165.1176.60000120.5
583Q34.7Very low30.4Very low192 Ų192140.5 Ų140.590%0.89772%0.72SS**  trans-152.2179136-130.5174.11.700113.1
584T31.3Very low30.8Very low109 Ų109139.2 Ų139.267%0.66972%0.721SS**  trans-129.7175.2-150.662.50000114.9
585S31.8Very low30.6Very low96 Ų96140 Ų14067%0.67173%0.728SS**  trans84.4126.5149.1-51.70000120.8
586E30Very low30.3Very low173 Ų173134.1 Ų134.181%0.80872%0.724SS**  53.8136.9126.8-76.3-168.892.700125.4
587V24.7Very low30.2Very low127 Ų127135.2 Ų135.277%0.7773%0.729SS**  trans78.7160.8134.1170.80000119.2
588M26.9Very low29.6Very low166 Ų166137.4 Ų137.482%0.81874%0.736SS**  trans-72.2175.8-174.8-58.7171.364.300114.3
589Q26.7Very low29.2Very low168 Ų168136 Ų13679%0.78574%0.742SS**  trans84.784.6164.1-61.3-170.9-35.600118.1
590E30.9Very low30.1Very low189 Ų189134 Ų13488%0.88374%0.74SS**  37.9116.5104-172.1179.1-17400118.4
591S25.6Very low30Very low107 Ų107135 Ų13575%0.74875%0.754SS**  trans-155.8129.8153.853.40000115.2
592L24Very low30Very low156 Ų156138.9 Ų138.982%0.81777%0.767SS**  trans51.3113.2151.3-7876.5000122.6
593Y31.4Very low29.8Very low216 Ų216140.4 Ų140.485%0.84777%0.768SS**  25.2150.2114.1-81.5-97000121
594P39.1Very low29.4Very low123 Ų123139.1 Ų139.180%0.79976%0.762SS**  cis-134.3-17329.744.2-26.3000114.6
595A26.3Very low29.4Very low90 Ų90138 Ų13874%0.74476%0.758SS**  cis-149.5176.515.100000113.5
596A27.8Very low29.2Very low92 Ų92142.2 Ų142.276%0.7677%0.767SS**  trans-70.5166.4-174.600000114.4
597Q25.6Very low29.3Very low175 Ų175138.3 Ų138.382%0.81877%0.765SS**  cis-154.4178.236-56.9173.9102.600110.8
598L25.3Very low29.7Very low141 Ų141138.9 Ų138.974%0.73877%0.769SS**  cis-145.5-128.43.9-141.7176.8000111.7
599C25.5Very low30.8Very low106 Ų106136.1 Ų136.172%0.71676%0.763SS**  trans-174.3179.7-163.5-95.90000110.4
600P54.3Low31Very low110 Ų110133.6 Ų133.671%0.71476%0.764SS**  cis-145.7-170-27.738.1-16.5000116.7
601S27Very low32.1Very low105 Ų105130.1 Ų130.173%0.73476%0.758SS**  trans87.7118.213269.50000126.6
602F28.5Very low32.3Very low176 Ų176130.7 Ų130.777%0.77276%0.757SS**  75.2145.8120.6-138.4-117.9000123.2
603E29.4Very low32.7Very low132 Ų132130.7 Ų130.762%0.61776%0.757SS**  trans20.5164.6157.2-94.177.7143.900122.7
604E26Very low33.8Very low164 Ų164125.6 Ų125.677%0.76675%0.75SS**  cis-161.7170.313.6-138.1-167.1100.300113.4
605S30.2Very low33.2Very low85 Ų85126.2 Ų126.259%0.59475%0.747SS**  trans33.8128144.5-60.90000126.6
606E28.3Very low33.4Very low185 Ų185128.7 Ų128.786%0.86475%0.746SS**  65.1130.5119-158.9167.2139.500125.4
607A31.2Very low33.5Very low92 Ų92131.2 Ų131.276%0.7675%0.751SS**  trans66145.7151.900000124.4
608T33.8Very low33.6Very low138 Ų138130 Ų13085%0.84775%0.748SS**  trans-92.9178.3-176.934.30000113.7
609P50.8Low34.2Very low108 Ų108131 Ų13170%0.70175%0.749SS**  cis-133.9176.1-6.129-7.1000117
610S29.6Very low34.6Very low116 Ų116130.3 Ų130.381%0.81175%0.75SS**  trans79.4155.7150.2-74.20000120.9
611P55.3Low34Very low116 Ų116130.2 Ų130.275%0.75375%0.75SS**  trans-132.7-175.7-143.138.9-19.9000118.1
612V29Very low34.3Very low119 Ų119132.5 Ų132.572%0.72175%0.753SS**  trans96.398.8159.1179.30000119.6
613L32.3Very low34.3Very low156 Ų156131 Ų13182%0.81775%0.753SS**  trans57.9163.3141.7-86.579.9000121.4
614P53.9Low34.4Very low108 Ų108130.5 Ų130.570%0.70176%0.764SS**  cis-139.6-164.1-40.739.1-19.5000114.1
615D27.4Very low34.6Very low136 Ų136127.1 Ų127.173%0.72776%0.764SS**  trans98.594.2145.6-12731.8000123.1
616I29.9Very low34.4Very low143 Ų143129.8 Ų129.873%0.73378%0.776SS**  trans32.8127.8130.4-48.8172.1000121.5
617V29.4Very low35Very low144 Ų144126.3 Ų126.387%0.87377%0.77SS**  -176.3163.8129.2144.50000110.9
618M29.4Very low34.7Very low150 Ų150127.6 Ų127.674%0.73977%0.773SS**  trans-115174.8-161.2-46.6-168.6-52.800117.9
619E36.1Very low34.4Very low163 Ų163125.5 Ų125.576%0.76277%0.77SS**  trans90.4101.3147.9-79.4-177.8-15000123.6
620A35.9Very low33.2Very low90 Ų90124 Ų12474%0.74478%0.775SS**  61.2175.6118.300000121.9
621P41.1Very low32.9Very low109 Ų109123.1 Ų123.171%0.70877%0.774SS**  cis-137.1153.1-21.121.33.4000118.8
622L33.5Very low31.5Very low153 Ų153123.4 Ų123.480%0.80178%0.779SS**  trans71.2149.1136.4-67.9172.6000127
623N28.9Very low31.2Very low145 Ų145121.8 Ų121.878%0.77578%0.778SS**  trans79.3146.1155.4-58.9-39.3000119.8
624S30.6Very low30.9Very low120 Ų120120.2 Ų120.284%0.83978%0.775SS**  cis-165.2-172-11.256.40000112
625A29.2Very low29.7Very low93 Ų93118.5 Ų118.577%0.76976%0.757SS**  trans-153-157.2-172.200000115.4
626V27.8Very low30Very low141 Ų141115.1 Ų115.186%0.85574%0.743SS**  trans88.6154.1173175.70000115.5
627P40.7Very low29.8Very low112 Ų112112.1 Ų112.173%0.72773%0.734SS**  cis-135.61595.924.31.3000121.5
628S24.6Very low29.5Very low119 Ų119110.6 Ų110.683%0.83273%0.73SS**  37.9136.1127.1-159.70000125.3
629A27.1Very low29.2Very low95 Ų95108.9 Ų108.979%0.78573%0.733SS**  176.4160112.800000114.2
630G25.1Very low29.2Very low77 Ų77106.2 Ų106.279%0.79473%0.73SS**  trans-92-151.8-179.500000114.8
631A24.6Very low28.7Very low97 Ų97108.4 Ų108.480%0.80273%0.728SS**  cis-177.2143.7-16.700000109.8
632S24.7Very low27.9Very low122 Ų122111.2 Ų111.285%0.85373%0.732SS**  trans58.7136.4156.6-159.90000121.2
633A24.2Very low27.4Very low85 Ų85107.8 Ų107.870%0.70273%0.725SS**  156128.8107.400000117.2
634V25.5Very low27.1Very low123 Ų123106 Ų10675%0.74572%0.724SS**  83107.1125.11650000122.9
635Q28.7Very low26.8Very low71 Ų71105.8 Ų105.833%0.33272%0.723SS.*  trans84175.1130.3-52.8-56.2-18.200120.7P96 A98P96-Q635 VanDerWaalsContact N-OE1 3.17Å; P96-Q635 PolarHBondContact O-NE2 3.32Å; P96-Q635 PolarHBondContact O-OE1 2.83Å; A98-Q635 PolarHBondContact N-O 3.09Å; A98-Q635 VanDerWaalsContact O-O 3.14Å
636P34.2Very low26.5Very low66 Ų66107.5 Ų107.543%0.42972%0.724SS.*  -140.7158.4-9540.8-20.2000122.3P96 A98P96-P636 HydrophobicContact CB-CB 3.84Å; P96-P636 HydrophobicContact CG-CB 4.15Å; A98-P636 CarbonylContact O-C 3.59Å; A98-P636 WeakPolarHBondContact O-CA 3.36Å
637S24.2Very low26.3Very low79 Ų79107.4 Ų107.455%0.55272%0.719SS**  trans89.7156.8131.167.50000123.4A98A98-S637 PolarHBondContact O-N 2.95Å
638S24.8Very low25.6Very low113 Ų113112 Ų11279%0.7972%0.723SS**  trans72.6116.8162.245.20000121.2
639S22.7Very low25.5Very low113 Ų113113.3 Ų113.379%0.7972%0.716SS**  trans-57.1173.9151.3-150000111.9
640P36.3Very low25.3Very low108 Ų108112.8 Ų112.870%0.70171%0.706SS**  cis-155.5179.147.145.8-24.6000119.8
641L25.2Very low25.5Very low136 Ų136115.6 Ų115.671%0.71270%0.702SS**  trans65137.5144.8-74.7159.4000123
642E23.3Very low25.5Very low167 Ų167117.8 Ų117.878%0.7870%0.698SS**  trans64150.2140.4-68172.4116.600121.3
643A23.8Very low25.7Very low81 Ų81120.2 Ų120.267%0.66970%0.696SS**  cis-165.8157.4-21.100000112.3
644S21.9Very low26.3Very low107 Ų107123.5 Ų123.575%0.74870%0.697SS**  trans9.9125.7154.261.10000122.7
645S24.1Very low26.6Very low117 Ų117121.9 Ų121.982%0.81869%0.689SS**  172.7129.9124.435.90000108.7
646V23.8Very low26.5Very low129 Ų129125.7 Ų125.778%0.78271%0.706SS**  cis107.811635.5164.60000111.6
647N23Very low26.3Very low139 Ų139128.9 Ų128.974%0.74372%0.72SS**  trans66.8105.3163.5-79.6-6.9000122.5
648Y25.5Very low27.1Very low208 Ų208130.4 Ų130.482%0.81673%0.728SS**  73.2163.1112.2-115.5-97.3000121.8
649E23.7Very low28Very low146 Ų146130.4 Ų130.468%0.68273%0.726SS**  trans90.296158.2-140.749.8-107.500120
650S23.2Very low28.3Very low84 Ų84130.6 Ų130.659%0.58772%0.724SS**  96.7164.912678.70000122.5
651I27.5Very low28.5Very low137 Ų137136.4 Ų136.470%0.70373%0.734SS**  trans72.991.4165.4-60.3159.6000113.3
652I26.1Very low28.6Very low142 Ų142137.8 Ų137.873%0.72874%0.736SS**  60.9109.880.1-60.3168.8000112.2
653H27.2Very low28.7Very low173 Ų173137.9 Ų137.980%0.80174%0.737SS**  -168.4109.6119.7-107.4-66.9000112.6
654E37.7Very low29.1Very low155 Ų155137.5 Ų137.572%0.72473%0.734SS**  trans-73.6156139.3-129-169.5110.700107.5
655P32.4Very low29.4Very low89 Ų89141.6 Ų141.658%0.57874%0.744SS**  -151.3-171.371.743-23.8000115.9
656E25.8Very low29.7Very low150 Ų150140.2 Ų140.270%0.70173%0.734SS**  trans66.671.7151.9-75.8172.1122.300118.5
657N30.6Very low30Very low134 Ų134141.1 Ų141.172%0.71774%0.739SS**  -8.7152.2104.6-84.5-50.7000116.9
658P40.1Very low30.3Very low111 Ų111138.6 Ų138.672%0.72173%0.733SS**  cis-137.7-118-13.635.4-9.4000112.4
659P45.2Very low30.2Very low113 Ų113136 Ų13673%0.73473%0.732SS**  trans-95.2-176.3-158.71.726.9000112
660P28.4Very low30.5Very low117 Ų117137.1 Ų137.176%0.7673%0.734SS**  cis-148.5-174.335.144.2-22.5000118.9E662P660-E662 PolarHBondContact O-N 3.26Å
661Y40.8Very low30.6Very low230 Ų230142.1 Ų142.190%0.90275%0.746SS**  trans-46.6119.6162.3-135.4-108.4000112.8
662E26.9Very low30.7Very low164 Ų164141.2 Ų141.277%0.76675%0.746SS**  trans-101133.7150.2-84.9-169.3-17800107.1P660P660-E662 PolarHBondContact O-N 3.26Å
663E25.6Very low30.8Very low169 Ų169139.1 Ų139.179%0.7974%0.744SS**  73.9132.162.3-155.1169.3-171.300110.4
664A32.5Very low30.7Very low74 Ų74133.8 Ų133.861%0.61274%0.736SS**  cis-136.8141.627.700000116.6
665M28.3Very low30.2Very low193 Ų193134.4 Ų134.495%0.95174%0.743SS**  trans-9286.9157.3-171.7-168.3-143.300109.8
666S29.5Very low29.9Very low88 Ų88137.7 Ų137.762%0.61575%0.748SS**  trans-156.5157.7166.966.30000109.5
667V31Very low29.8Very low147 Ų147137.7 Ų137.789%0.89175%0.748SS**SBendcis-74.2127.610.8-175.10000112.7
668S28.1Very low29.6Very low87 Ų87138.9 Ų138.961%0.60875%0.749SS**  cis-166.2147.8-11-93.70000111
669L24.8Very low29Very low152 Ų152140.3 Ų140.380%0.79675%0.749SS**  trans78.3125.8150.6-148.590.4000120
670K28Very low28Very low170 Ų170142.5 Ų142.574%0.73975%0.747SS**  115.796.5123.6-146.7-178-159.9173.80120.8
671K27Very low27.9Very low189 Ų189141.3 Ų141.382%0.82273%0.731SS**  trans68.2157.1140.4-73.6-163.5165.7-161.20118.3
672V28.1Very low27.8Very low118 Ų118135.3 Ų135.372%0.71572%0.721SS**  cis-158.2167.41.4106.80000111
673S28.3Very low27.7Very low99 Ų99136.3 Ų136.369%0.69273%0.726SS**  trans7.9144.3157.9-154.20000120.5
674G26.3Very low27.8Very low61 Ų61134.2 Ų134.263%0.62973%0.729SS**  cis111.6139.810.800000113
675I26.3Very low27.6Very low167 Ų167137.7 Ų137.786%0.85674%0.736SS**  trans83.7140.9175.2-50.4169.6000116.8
676K25.6Very low27.5Very low159 Ų159135.4 Ų135.469%0.69173%0.728SS**  trans98.9112.3152-124.7172.2174.8-67.30121.8
677E25.4Very low27.4Very low149 Ų149136.1 Ų136.170%0.69674%0.739SS**  trans40.1152.8132.4-61.5170.6131.600125.8
678E25.1Very low27.2Very low159 Ų159133.6 Ų133.674%0.74373%0.734SS**  trans100.7129.8139.6-94.5-177.4115.300125
679I27.4Very low27.2Very low142 Ų142135.9 Ų135.973%0.72874%0.744SS**  trans93.7115.4141.9-63.3159.8000124.5
680K25.2Very low27.3Very low158 Ų158136.8 Ų136.869%0.68774%0.744SS**  trans50.8150.4143-75.7-150.1173.7-148.60128.6S698 I699K680-S698 PolarHBondContact NZ-O 3.36Å; K680-I699 PolarHBondContact NZ-O 3.23Å
681E25.2Very low27.2Very low92 Ų92138 Ų13843%0.4375%0.752SS.*  trans-62.8-173.4167.9-87.3176.8125.100119.9I697 S698E681-I697 VanDerWaalsContact CD-N 3.34Å; E681-I697 WeakPolarHBondContact OE1-CA 3.27Å; E681-I697 PolarHBondContact OE1-N 3.12Å; E681-S698 PolarHBondContact OE1-N 3.14Å; E681-S698 PolarHBondContact OE2-N 2.84Å
682P38.9Very low27.1Very low104 Ų104134.5 Ų134.568%0.67575%0.747SS**  cis-141.6-173.5-17.732.5-9000117.9
683E25.3Very low27.1Very low186 Ų186138.3 Ų138.387%0.86976%0.757SS**  trans72.9118.2146.1-89-175.1174.600125.7
684S26.8Very low27.3Very low124 Ų124138 Ų13887%0.86776%0.76SS**  -179177.8129.146.90000111.2
685I28.3Very low28.1Very low148 Ų148140.3 Ų140.376%0.75976%0.764SS**  trans-122.3147.9-149-10.8173.7000117.6
686N26.4Very low28.2Very low145 Ų145141.5 Ų141.578%0.77576%0.759SS**  trans101.4118.3147-68.7-42.9000122.5
687A27.1Very low28.7Very low102 Ų102139.9 Ų139.984%0.84376%0.756SS**  trans78.384.4134.100000121.1
688A26.9Very low28.9Very low95 Ų95135.4 Ų135.479%0.78574%0.742SS**  trans-148.7172.4149.700000111.4
689V28Very low29.4Very low135 Ų135134.6 Ų134.682%0.81874%0.741SS**SBendtrans-85.2148.2179.5177.60000111
690Q27Very low29.6Very low171 Ų171132 Ų13280%0.79974%0.741SS**  trans79132.1-170.8-51.5172.954.500113.5
691E26.3Very low29.8Very low195 Ų195130 Ų13091%0.91175%0.745SS**  trans-130.9121.8157.5-71.4-165.9178.900110.3
692T25.8Very low30Very low116 Ų116131.8 Ų131.871%0.71276%0.758SS**  trans-102.2135.2172.743.30000109.9
693E26.8Very low29.6Very low198 Ų198134 Ų13493%0.92576%0.763SS**  trans69.6174.4166.3-56.3-173.8101.800117.2
694A32.4Very low30Very low91 Ų91132.8 Ų132.875%0.75276%0.761SS**  trans-144.4-165.4-174.200000108.2
695P43.4Very low30.3Very low110 Ų110134.7 Ų134.771%0.71475%0.754SS**  cis-135-170.8-15.443.2-25.7000114.6
696Y28.6Very low30.5Very low192 Ų192133.4 Ų133.475%0.75374%0.744SS**  trans67.1133.9163-98.2-106.7000119.8
697I36.3Very low30.7Very low125 Ų125131.4 Ų131.464%0.64174%0.738SS**  cis96.492.64.3-45.1164.4000119.4E681E681-I697 VanDerWaalsContact CD-N 3.34Å; E681-I697 WeakPolarHBondContact OE1-CA 3.27Å; E681-I697 PolarHBondContact OE1-N 3.12Å
698S29.7Very low30.8Very low56 Ų56133.6 Ų133.639%0.39273%0.728SS.*  trans-175.5120146.4-86.80000121.2K680 E681K680-S698 PolarHBondContact NZ-O 3.36Å; E681-S698 PolarHBondContact OE1-N 3.14Å; E681-S698 PolarHBondContact OE2-N 2.84Å
699I35.5Very low30.7Very low141 Ų141136.9 Ų136.972%0.72373%0.732SS**  69.3106.3129.9-58.5175.1000121.2K680K680-I699 PolarHBondContact NZ-O 3.23Å
700A31.5Very low30.6Very low88 Ų88135.9 Ų135.973%0.72773%0.731SS**  65.5149.9123.500000127.2
701C29.3Very low30.7Very low115 Ų115131.6 Ų131.678%0.77773%0.725SS**  trans92.6123.7148.1-80.40000124.4
702D30.5Very low30.9Very low131 Ų131131 Ų13170%0.70172%0.722SS**  trans86.1114.8130.4-76.921.8000126.1
703L29.5Very low32Very low149 Ų149129.9 Ų129.978%0.7872%0.717SS**  84.5153.2127.7-67.5170.1000123.6
704I33.9Very low32.1Very low162 Ų162126.3 Ų126.383%0.83171%0.709SS**  trans78.6143.6163.2-40.6-173.5000117.7
705K33.3Very low32.6Very low163 Ų163127.4 Ų127.471%0.70971%0.708SS**  -176.6145.4-50.3-136.6-165.2163.4-157.30110.4
706E32.8Very low31.7Very low121 Ų121128 Ų12857%0.56571%0.705SS**  trans65.8156.6157-71.6-169-136.400118.4K708E706-K708 IonicContact OE2-NZ 2.69Å; E706-K708 PolarHBondContact OE2-NZ 2.64Å
707T29.3Very low31.5Very low104 Ų104127.4 Ų127.464%0.63871%0.707SS**  cis-168.6-144.6-1737.50000107.4
708K29.1Very low31.1Very low148 Ų148125.6 Ų125.664%0.64371%0.705SS**  cis-166.51727.5-136.3167-141.389.20110.9E706E706-K708 IonicContact OE2-NZ 2.69Å; E706-K708 PolarHBondContact OE2-NZ 2.64Å
709L25.7Very low31.1Very low164 Ų164130.2 Ų130.286%0.85973%0.726SS**  trans76151.8178.1-51.2176000116.2
710S25.9Very low30.7Very low113 Ų113134.1 Ų134.179%0.7973%0.733SS**  173154.5-62.6-85.80000109.8
711A29.8Very low30.6Very low82 Ų82134.7 Ų134.768%0.67873%0.731SS**  cis-176.2179.6-20.400000109
712E29.5Very low30.6Very low182 Ų182136.3 Ų136.385%0.8573%0.728SS**  trans76.6150.8147.8-166.6167.3160.800118.8
713P49.8Very low30.3Very low93 Ų93137.2 Ų137.260%0.60473%0.729SS**  cis-129.6157.4-3.423.20.2000118.9
714T29.1Very low30.3Very low123 Ų123134.4 Ų134.476%0.75573%0.728SS**  trans65.5156.1144.254.30000121
715P41.4Very low29.9Very low113 Ų113135.9 Ų135.973%0.73473%0.728SS**  cis-130.4150.217.141.2-24.9000119.4
716D24.8Very low29.6Very low124 Ų124133.8 Ų133.866%0.66373%0.729SS**  trans57.4127.9133.1-64.410.1000124.5
717F25.8Very low29.2Very low178 Ų178136.9 Ų136.978%0.78174%0.743SS**  trans41.7114.6158.8-50.5-68.7000118.6
718S27.2Very low29.1Very low88 Ų88140.6 Ų140.662%0.61575%0.754SS**  63.6141.360.493.60000112.7
719D28.6Very low29.2Very low152 Ų152139.3 Ų139.381%0.81376%0.76SS**  cis-129.7-170.638.8-75-34.9000116.4
720Y28Very low29.3Very low223 Ų223137.9 Ų137.988%0.87576%0.758SS**  trans-91.5161.6-161.3-106.1-120.7000116
721S29.6Very low30.2Very low100 Ų100137.3 Ų137.370%0.69975%0.752SS**  trans-40.5157.5148.7-163.90000113.9
722E28.1Very low30Very low149 Ų149139.6 Ų139.670%0.69675%0.753SS**  -178.8153.7100.4-140.8-179.3152.100114.3
723M26.1Very low29.8Very low150 Ų150138.3 Ų138.374%0.73975%0.746SS**  trans31.2138.3153.668.3-170.9149.700123.1
724A29.3Very low28.8Very low91 Ų91138.9 Ų138.975%0.75275%0.753SS**  trans-95.4136151.800000110.7
725K25.3Very low28.7Very low193 Ų193141.5 Ų141.584%0.83976%0.756SS**  trans-178.2122.4142.2-105163.6-177.5178.60115.2
726V26.9Very low28Very low119 Ų119143.4 Ų143.472%0.72176%0.759SS**  73135.3125.4172.40000121.5
727E24.1Very low28.2Very low186 Ų186142.6 Ų142.687%0.86976%0.758SS**  trans81.1141.1157.1-88.9168.7150.400123.7
728Q26.9Very low28.4Very low182 Ų182142.5 Ų142.585%0.8576%0.761SS**  trans-77.7170.2162.6-69.8-178.7-2100109.4
729P32.3Very low28.3Very low121 Ų121144.8 Ų144.879%0.78677%0.766SS**  cis-142.2170.120.242.8-23.6000118.6
730V26.2Very low28.2Very low133 Ų133142.1 Ų142.181%0.80676%0.759SS**  trans-68.3152.5158.5153.40000109.6
731P45.7Very low28.2Very low102 Ų102136.2 Ų136.266%0.66275%0.75SS**  cis-146.2175.231.842-21.5000120.2
732D25.6Very low29Very low130 Ų130136.1 Ų136.170%0.69575%0.748SS**  trans88.9141.5130.2-95.1-42.7000127.4
733H25.8Very low28.9Very low155 Ų155136 Ų13672%0.71875%0.751SS**  trans81.294.4147.9-64.52.2000123
734S28.4Very low29.2Very low105 Ų105133.6 Ų133.673%0.73475%0.75SS**  85.1130.9113.6700000125.1
735E26Very low29.1Very low177 Ų177137.3 Ų137.383%0.82775%0.752SS**  trans107.6144131.1-105.9-178.4-162.400122.9
736L27.6Very low30.1Very low153 Ų153133.3 Ų133.380%0.80175%0.745SS**  trans74.5134.6170.6-61.1139.9000118.7
737V29Very low30.3Very low107 Ų107133.1 Ų133.165%0.64874%0.744SS**  cis-166.3151.7-19.594.80000111.1
738E28.9Very low30.5Very low177 Ų177130.7 Ų130.783%0.82774%0.737SS**  trans30.1145.4155.6-66.2161.9149.600121.8
739D25.9Very low31Very low135 Ų135129.2 Ų129.272%0.72273%0.734SS**  cis-166.5166.5-7-173.958.4000105.3
740S27.1Very low30.8Very low97 Ų97133.1 Ų133.168%0.67874%0.739SS**  cis-136.8166.623.4-51.20000110.9
741S27.6Very low31.7Very low98 Ų98131.7 Ų131.769%0.68574%0.735SS**  cis77.1142.329.7-137.60000114.6
742P45.5Very low31.1Very low99 Ų99134.3 Ų134.364%0.64374%0.743SS**  cis-136.8175.710.244.2-27.6000117.8
743D26.1Very low31.6Very low145 Ų145136 Ų13678%0.77575%0.753SS**  trans67.7139.2141.7-85.3-43.5000122.3
744S32.8Very low31.7Very low100 Ų100134.3 Ų134.370%0.69976%0.758SS**  cis-149.5153.4-7.7-56.20000111.6
745E28Very low31.7Very low170 Ų170137.2 Ų137.279%0.79476%0.764SS**  trans-82.5167.8158.3-151.9-169.5-11500110.3
746P45.9Very low33.4Very low108 Ų108133.5 Ų133.570%0.70176%0.755SS**  -157.1144.297.137.3-18000117.8
747V31Very low33.2Very low115 Ų115133.3 Ų133.370%0.69776%0.755SS**  trans66.5132.7139.6175.90000116.7
748D28.4Very low33.5Very low135 Ų135133.9 Ų133.972%0.72276%0.758SS**  cis-152.9170.648.4-150.1-8000115.1
749L36.9Very low34.3Very low151 Ų151130.7 Ų130.779%0.79175%0.753SS**  trans-100.1117.3-179.7-76.3160.1000112.8
750F28.8Very low34.5Very low203 Ų203131.8 Ų131.889%0.8975%0.753SS**  trans-146164.9156-86.4-68.1000112.9
751S43.8Very low34.4Very low104 Ų104135.3 Ų135.373%0.72776%0.757SS**  trans-94.7178.4-177.8-53.20000112.8
752D33.1Very low34.4Very low156 Ų156138.1 Ų138.183%0.83476%0.759SS**  trans88.5139.9173.8-57.4-34.1000117.4
753D36.1Very low33.6Very low167 Ų167139.7 Ų139.789%0.89376%0.762SS**  trans40128.1177.6-69.4-20.3000120.2
754S28.7Very low33.8Very low119 Ų119141.4 Ų141.483%0.83277%0.765SS**  trans-136116.5-177.5-55.10000113.3
755I29Very low33.5Very low165 Ų165141.5 Ų141.585%0.84677%0.772SS**  trans-121.4-131.9158.7-33.7177.2000108.5
756P60.1Low33.4Very low99 Ų99139.4 Ų139.464%0.64377%0.77SS**  -94.5-168-118.138.9-22.2000113.9
757D24.1Very low32.4Very low149 Ų149141.7 Ų141.780%0.79777%0.774SS**  -160.3178.4112.7-128.8-39.3000114.6
758V36.3Very low32.1Very low120 Ų120143.6 Ų143.673%0.72778%0.779SS**  trans-145.4-166.7-166.6-104.50000109.7
759P45Very low32.2Very low109 Ų109143 Ų14371%0.70878%0.78SS**  cis-141.6178.46.542.2-22000119.1
760Q29.5Very low31.6Very low158 Ų158145.2 Ų145.274%0.73878%0.783SS**  trans96132.8135.3-109.6-171.323.200123.9
761K25.6Very low31.6Very low172 Ų172142.7 Ų142.775%0.74877%0.774SS**  trans70.6161.7155.9-61.6179.8-176.4179.20119
762Q28.5Very low30.6Very low156 Ų156145 Ų14573%0.72978%0.779SS**  -171.8154.6-54.4-126.7-171.2-71.700108.5
763D28.8Very low30.5Very low132 Ų132144.6 Ų144.671%0.70678%0.775SS**  trans63.1158.3166.5-44.6-16.5000116.4
764E29.4Very low30.4Very low182 Ų182142.6 Ų142.685%0.8577%0.772SS**  cis162.3117.4-39.2174.1170.9-118.700106.8
765A25.9Very low30.2Very low101 Ų101144.3 Ų144.384%0.83577%0.767SS**  trans-165.2157.9171.800000111.7
766V27.3Very low30Very low126 Ų126141.6 Ų141.676%0.76476%0.758SS**  trans-145.6134.5-159174.40000114
767M23.2Very low28.3Very low156 Ų156141.6 Ų141.677%0.76876%0.76SS**  trans55.1133.6155.9-67-85-78.500122.7
768L25.7Very low28.4Very low155 Ų155143 Ų14381%0.81276%0.76SS**  178.8131.3109.7-96.2169.4000116.2
769V30.6Very low28Very low122 Ų122144.9 Ų144.974%0.73976%0.761SS**  trans16.3129.9147.7175.70000122.6
770K24.9Very low26.9Very low198 Ų198145.1 Ų145.186%0.86177%0.765SS**  -162.2176.1124.9-149.9155.5-177.1176.40113.3
771E27.3Very low26.6Very low151 Ų151145.7 Ų145.771%0.70677%0.769SS**  trans-116.1173.9-162.7-51.4161.6104.400116.1
772N24.3Very low26.8Very low153 Ų153144.1 Ų144.182%0.81877%0.768SS**  trans97.4157.1149.2-70-51.7000122.7
773L29.7Very low26.7Very low146 Ų146146 Ų14676%0.76478%0.776SS**  trans-81.9167.1-166.1-140.678.3000114.4
774P34.7Very low26.5Very low126 Ų126147.1 Ų147.182%0.81878%0.777SS**  -155.4-151.385.642.1-19.8000116.2
775E25.1Very low26.4Very low154 Ų154145.4 Ų145.472%0.7277%0.769SS**  trans-143.7175.6-164.5-80.5-146.755.700114.2
776T24.5Very low26.3Very low108 Ų108148 Ų14866%0.66377%0.769SS**  cis-160.7-124.2-35.543.50000109.4
777S24.5Very low26.3Very low99 Ų99150.5 Ų150.569%0.69277%0.77SS**  trans66.9170.4-178.486.60000116.6
778F26.3Very low26.3Very low179 Ų179149.4 Ų149.479%0.78576%0.763SS**  cis-165.7174.7-8.5-98.2-35.6000106.7
779E26.5Very low26.3Very low160 Ų160149.6 Ų149.675%0.74876%0.757SS**  cis-170.7-178.1-32-170.7153.210500109.9
780S23.4Very low26Very low114 Ų114151 Ų15180%0.79776%0.759SS**  trans82.9155.217281.90000117.7
781M23.1Very low25.8Very low169 Ų169147 Ų14783%0.83376%0.757SS**  cis-151.6160.916.5-165.2171.4178.500115.1
782I28.7Very low25.7Very low140 Ų140144.1 Ų144.172%0.71876%0.758SS**  trans-35.9144.4175.7-62152.9000119.9
783E26.8Very low25.9Very low194 Ų194145 Ų14591%0.90776%0.762SS**  -158.6178.9129.4-127.8-171.3174.200116
784H24.5Very low26.4Very low156 Ų156143.2 Ų143.272%0.72276%0.759SS**  trans-117.5153.4-159.3-125.6-108000115.2
785E27.3Very low26.8Very low147 Ų147142.4 Ų142.469%0.68775%0.754SS**  trans15123.1139.8-177.3-174.8-171.700120.3
786N24.1Very low26.9Very low156 Ų156144.3 Ų144.383%0.83476%0.763SS**  -168.2-176.1130-116.5-76.7000116.4
787K27.2Very low27.1Very low178 Ų178142.8 Ų142.877%0.77477%0.769SS**  trans-145.2147.8-161.9-168.2-170.5177.5-178.80113
788E23.3Very low27.3Very low132 Ų132141.9 Ų141.962%0.61778%0.775SS**  trans88.9120.8153.6-155.1167.614600122.2
789K24.4Very low27.5Very low160 Ų160143.1 Ų143.170%0.69678%0.78SS**  trans78.2126.6147.6-83.3171.5-174.5151.30125.2
790L24.4Very low28.3Very low150 Ų150140.1 Ų140.179%0.78578%0.775SS**  trans63.6113.6132.9-67.2166.5000121.8
791S21.8Very low28.4Very low116 Ų116145 Ų14581%0.81178%0.777SS**  171.414198.3-72.60000116.1
792A25.9Very low28.7Very low89 Ų89144.5 Ų144.574%0.73678%0.777SS**  trans40.3107.614600000124.5
793L26.9Very low28.7Very low172 Ų172144.3 Ų144.390%0.90177%0.773SS**  63.9164.6118.4-73.5171.3000121.8
794P41.7Very low28.8Very low108 Ų108140.6 Ų140.670%0.70177%0.769SS**  trans-113.4-160.1-14849.2-40.2000112.3
795P41.8Very low28.9Very low109 Ų109141.8 Ų141.871%0.70877%0.772SS**  cis-144.2-168.29.337.8-13.1000118.5
796E27.2Very low28.9Very low194 Ų194143.5 Ų143.591%0.90778%0.777SS**  trans105.3135.5136.2-159.8155.9-150.300119.7
797G28.9Very low28.9Very low76 Ų76143.8 Ų143.878%0.78478%0.778SS**  trans107.4126162.700000117.8
798G29.8Very low28.6Very low81 Ų81142 Ų14284%0.83578%0.777SS**  trans99118.1154.200000118.5
799K30.5Very low28.9Very low204 Ų204142.6 Ų142.689%0.88778%0.783SS**  trans-119.5179.2159.6-53.2-176.8-176.8178.20106.8
800P43.1Very low29Very low97 Ų97141.4 Ų141.463%0.6379%0.785SS**  cis-140.7-177.35.121.27000117.1
801Y25.1Very low28.9Very low218 Ų218139.2 Ų139.286%0.85577%0.774SS**  trans108.1147.3154-66.9-70.1000120.7
802L28.8Very low28.9Very low158 Ų158140.7 Ų140.783%0.82778%0.778SS**  trans76.8153.2175.1-74.9171.1000121.5
803E28.8Very low29Very low135 Ų135144.5 Ų144.563%0.63178%0.778SS**  trans50.186.2173.7-100.153.8-109.700121.6
804S29.8Very low28.9Very low117 Ų117143.6 Ų143.682%0.81877%0.774SS**  19.5109.9119.2-52.40000118.7
805F25.8Very low28.1Very low181 Ų181144 Ų14479%0.79478%0.775SS**  trans-114.2137.4178.8-99.2-62.1000115.1
806K27.7Very low27.3Very low183 Ų183145.4 Ų145.480%0.79678%0.776SS**  trans58.5133.1142.8-81.7164.1179.8175.10121.7
807L23.3Very low27.2Very low161 Ų161143.4 Ų143.484%0.84377%0.77SS**  trans-99.1121.5144.6-178.877.6000109.1
808N22.2Very low27.7Very low142 Ų142144.9 Ų144.976%0.75977%0.766SS**  trans-175.8122.4145.9-114.1-84.6000113.7
809L29.8Very low27.4Very low143 Ų143147.7 Ų147.775%0.74976%0.762SS**  trans43.9147.4141.6-133.466.8000123.8
810D24.9Very low27.2Very low135 Ų135145.7 Ų145.772%0.72276%0.756SS**  trans69.1154.3160.1-76.9-43.5000117.5
811N23.6Very low26.3Very low105 Ų105146.4 Ų146.456%0.56176%0.758SS**  cis-157.5-179.55.836.492.2000110.4
812T21.3Very low26.3Very low146 Ų146140.8 Ų140.890%0.89675%0.751SS**  trans-135.7142.2151-66.20000109.1
813K28.8Very low26.2Very low169 Ų169139.2 Ų139.274%0.73575%0.748SS**  trans-122.3158.8-168.4-66.2177.3179.5173.80113.2
814D23.8Very low26.1Very low154 Ų154139.9 Ų139.982%0.82476%0.755SS**  trans-164171.9140.9-105-22.2000108.7
815T25.7Very low25.9Very low117 Ų117138.7 Ų138.772%0.71875%0.747SS**  cis177.8139.9-42.6-91.10000107.7
816L24.6Very low26Very low137 Ų137138.8 Ų138.872%0.71775%0.747SS**  cis-166.3117.3-24.4170.5128.1000107.2
817L25.1Very low26.2Very low152 Ų152137.4 Ų137.480%0.79674%0.741SS**  trans58.9174.3166.6-73.6170.2000117.2
818P40.3Very low26.4Very low108 Ų108135.8 Ų135.870%0.70173%0.729SS**  cis-121.4-161.6-3.547.8-33.9000111.6
819D22.9Very low26.6Very low139 Ų139137.5 Ų137.574%0.74373%0.73SS**  cis-157.1-179.5-5-139.5-39.8000111.7
820E25.6Very low26.9Very low163 Ų163138 Ų13876%0.76273%0.732SS**  trans54.8126153.1-82.2-157.196.200123.7
821V25.1Very low27.8Very low111 Ų111136.4 Ų136.467%0.67373%0.728SS**  trans83102.6138.6175.70000121.2
822S25.4Very low27.8Very low101 Ų101138.2 Ų138.271%0.70674%0.738SS**  trans65.2152.7132.7-60.80000122.8
823T26.6Very low28Very low124 Ų124139.4 Ų139.476%0.76173%0.733SS**  cis-171.2170.6-2436.10000109.8
824L26.2Very low27.8Very low149 Ų149139 Ų13978%0.7874%0.736SS**  trans103.871.7135.7-150.7114.2000122.5
825S25.7Very low28Very low93 Ų93138.8 Ų138.865%0.6573%0.73SS**  75.3154.5124.786.60000124.2
826K28.3Very low28.2Very low183 Ų183141 Ų14180%0.79673%0.732SS**  trans76.4104.6145.2-84.1-179.8177.1174.90121.6
827K30.2Very low28.4Very low154 Ų154141.1 Ų141.167%0.6773%0.732SS**  74.6106.799.6-165.9170.6-170170.80119
828E27.6Very low28.3Very low127 Ų127139.4 Ų139.459%0.59373%0.733SS**  35.6116.8124.3174.3-133.3125.900117.6
829K28Very low27.7Very low178 Ų178140.5 Ų140.577%0.77474%0.738SS**  -173.1121.8117-102.7176.2-172.3-163.30117.1
830I35.7Very low28Very low153 Ų153138.2 Ų138.279%0.78574%0.739SS**  trans-62.7162.3136.515.6172.9000109
831P43.1Very low28.1Very low101 Ų101136.5 Ų136.566%0.65674%0.739SS**  cis-149.3-162.839.731.5-4.2000116
832L24.2Very low28.4Very low144 Ų144141 Ų14175%0.75475%0.745SS**  trans78152.9161.3-52.1173.6000117.6
833Q25.6Very low28.8Very low171 Ų171140.2 Ų140.280%0.79974%0.74SS**  cis-178.1164.9-42.3-127.2-175.9-17.800107.5
834M23.9Very low29Very low161 Ų161140.3 Ų140.379%0.79374%0.735SS**  trans84.4145.4156.2-153.8148.7-116.800119.8
835E28Very low29Very low149 Ų149140.7 Ų140.770%0.69674%0.738SS**  trans33110171.1-96.679.8121.700123.1
836E31.1Very low29Very low164 Ų164142.8 Ų142.877%0.76674%0.742SS**  25.9142.1120.6-81.6-157.5121.300125.2
837L27.8Very low29Very low138 Ų138140.2 Ų140.272%0.72374%0.736SS**  trans69.9102.7141.8-66.8167.9000121.1
838S24.2Very low28.8Very low116 Ų116141.4 Ų141.481%0.81174%0.742SS**  trans-156.885.2144.9-74.90000113.5
839T26.5Very low28.7Very low131 Ų131142.6 Ų142.680%0.80475%0.752SS**  trans37.8110.4134.357.30000122.9
840A29.5Very low28.8Very low92 Ų92139.5 Ų139.576%0.7675%0.752SS**  91.4172.7103.800000123.1
841V27.7Very low28.5Very low127 Ų127140.5 Ų140.577%0.7775%0.751SS**  trans87.197174.8-170.60000114.3
842Y31.6Very low27.7Very low206 Ų206143.2 Ų143.281%0.80876%0.755SS**  70.8140.977.4-82-127.9000113
843S33.3Very low27.8Very low84 Ų84141.3 Ų141.359%0.58776%0.76SS**  cis-168.6177.2-1.4-86.70000111
844D30.2Very low27.8Very low125 Ų125142 Ų14267%0.66876%0.763SS**  cis-175.7173.6-39.9-80.9-32.8000109.5
845D27.8Very low28.1Very low157 Ų157140.4 Ų140.484%0.8476%0.762SS**  trans70.7152.9157.3-68.4-22.7000125.5
846D25.5Very low28.1Very low138 Ų138142.2 Ų142.274%0.73876%0.762SS**  trans71.487.9155.7-87.10.9000125.1
847L27.7Very low27.9Very low128 Ų128140.9 Ų140.967%0.6776%0.756SS**  57.1128.6109-68.3-179.8000125.1
848F26.5Very low27.9Very low179 Ų179140 Ų14079%0.78576%0.757SS**  trans88.4139.1137-77.4-48.6000125.5
849L25.1Very low28Very low152 Ų152143.4 Ų143.480%0.79676%0.76SS**  trans82.3111.7143.4-80165.3000123.9
850S30.4Very low28Very low113 Ų113142.2 Ų142.279%0.7975%0.752SS**  trans-169.7116.8138-77.40000108.3
851K28.1Very low27.7Very low174 Ų174146.9 Ų146.976%0.75776%0.756SS**  59.2146.687.3-82.6-172.7168-79.70115.7
852E27.1Very low27.5Very low159 Ų159145.8 Ų145.874%0.74375%0.754SS**  cis168.9132.6-21.1167.5-176.5148.800107.6
853A26.7Very low27.1Very low103 Ų103143 Ų14385%0.85175%0.753SS**  trans-166.2141161.900000112.5
854Q26.2Very low26.8Very low186 Ų186143.8 Ų143.887%0.86976%0.759SS**  trans-150.4135.8177.9-175.8-17413.800111.3
855V28.5Very low27.1Very low127 Ų127143.3 Ų143.377%0.7777%0.765SS**  trans-146.9113.8171.9-1730000105.7
856R28.5Very low28.1Very low187 Ų187141.1 Ų141.171%0.70676%0.759SS**  57.5138.684.3-52.5-151.8-43.4144.95.7113.3
857E27.6Very low28.1Very low137 Ų137141.1 Ų141.164%0.6476%0.758SS**  cis-156.6179.42.8-130.8157.3-164.400113.2
858T27.8Very low28Very low118 Ų118143 Ų14372%0.72476%0.763SS**  trans-62.6160.3179.451.60000116.4
859E26Very low28.2Very low189 Ų189140.7 Ų140.788%0.88376%0.758SS**  trans-157175.2130.5-120.5168.5-168.200113.1
860T25.7Very low28.6Very low105 Ų105140.5 Ų140.564%0.64476%0.756SS**  trans-149.4165.2-155440000114.7
861F23.7Very low28.4Very low191 Ų191141.8 Ų141.884%0.83875%0.754SS**  trans107.4137.2156.8-65.2-72.3000120.4
862S24.1Very low28.9Very low104 Ų104141.9 Ų141.973%0.72776%0.757SS**  trans52128.7151.9-61.50000121.1
863D23.4Very low29.1Very low148 Ų148143.2 Ų143.279%0.79176%0.761SS**  cis92.2146.630.8-168.328.1000114.3
864S25.4Very low29.5Very low100 Ų100143.6 Ų143.670%0.69975%0.754SS**  trans72.9100.4-178.7-60.70000119.1
865S38.3Very low29.5Very low114 Ų114140 Ų14080%0.79775%0.745SS**  trans-60.4165.7142.1-45.10000111
866P47Very low29.4Very low112 Ų112140.8 Ų140.873%0.72774%0.744SS**  -154.5-166.9112.534.8-13.6000115.3
867I25.8Very low29.4Very low137 Ų137137 Ų13770%0.70374%0.737SS**  trans91.997.2167.1-53.5166000113.4I869I867-I869 HydrophobicContact CG2-CG1 4.44Å
868E25.8Very low29.4Very low168 Ų168135.6 Ų135.679%0.78574%0.742SS**  cis93.516635.5-165178-126.500112.7
869I31.8Very low29.5Very low131 Ų131133.7 Ų133.767%0.67273%0.734SS**  trans64.3135.5171.830.3179.1000116.7I867I867-I869 HydrophobicContact CG2-CG1 4.44Å
870I33.3Very low29.4Very low147 Ų147134.3 Ų134.375%0.75473%0.734SS**  cis-131.6152.612.4-57.9175.7000111.2
871D26.4Very low29.3Very low140 Ų140134.6 Ų134.675%0.74974%0.736SS**  trans-24.5169.6146.9-64.2-79000116.7
872E38.8Very low29.3Very low177 Ų177132.4 Ų132.483%0.82773%0.732SS**  cis-161.7124.243.3-169.7170-168.900113.2
873F29.6Very low29.3Very low186 Ų186131.3 Ų131.382%0.81673%0.725SS**  trans-84.7160.2159.8-73.2-92.7000109.5
874P35.7Very low29.3Very low111 Ų111134 Ų13472%0.72173%0.73SS**  -136.1140.8102.126.6-9.6000113.8
875T25.4Very low29.2Very low111 Ų111133.9 Ų133.968%0.68173%0.729SS**  50.8135.476.713.50000113.3
876L28Very low28.4Very low143 Ų143137.7 Ų137.775%0.74973%0.731SS**  -146170.952.6-70.9166.5000110.1
877I26.9Very low27.4Very low108 Ų108138.7 Ų138.755%0.55473%0.73SS**  cis-137.2139.427.8-63.9166.5000111.2
878S28.3Very low27.3Very low107 Ų107136.5 Ų136.575%0.74873%0.732SS**  trans-111.2147.4160.668.90000111.3
879S29.3Very low27.1Very low78 Ų78137.6 Ų137.655%0.54573%0.729SS.*  trans-156.1143161.663.20000109.5S304S304-S879 PolarHBondContact OG-OG 3.31Å
880K24Very low26.7Very low203 Ų203137.5 Ų137.588%0.88373%0.726SS**  cis-146.8158.213.6-160.7167.8-179175.80112.7
881T25.3Very low26.4Very low111 Ų111141.2 Ų141.268%0.68173%0.732SS**  trans-79.9167-172.1-4.10000115.8
882D23.3Very low26.4Very low144 Ų144139.6 Ų139.677%0.7773%0.727SS**  trans71.5149146.7-66.6-33.1000119.9
883S22.9Very low25.6Very low82 Ų82138 Ų13857%0.57372%0.724SS**  cis-173.6165.5-18.354.60000109.7
884F24.2Very low25.5Very low203 Ų203135.3 Ų135.389%0.8972%0.718SS**  trans61.2164.2171.8-73-84.4000116.3
885S23.4Very low25Very low98 Ų98137.8 Ų137.869%0.68572%0.72SS**  cis-146.2134.7-12.645.60000112.7
886K21Very low24.9Very low194 Ų194138.4 Ų138.484%0.84372%0.723SS**  trans-3113.7134.2-176.6176.8-176.8174.10118.2
887L25.8Very low24.9Very low134 Ų134136.4 Ų136.470%0.70272%0.721SS**  trans37.3109.8132.3-171.990.4000120
888A24.5Very low25.1Very low90 Ų90138.5 Ų138.574%0.74473%0.728SS**  trans-143.9143.3135.700000106.7
889R21.5Very low25.2Very low191 Ų191141.1 Ų141.172%0.72173%0.726SS**  cis60140.939.8-115.5-160.1-87.8159-6.1111.5
890E24Very low25.4Very low130 Ų130141.2 Ų141.261%0.60773%0.726SS**  cis-168.8134.512.4-166.9164.5178.400108.7
891Y25.8Very low25.5Very low224 Ų224138.7 Ų138.788%0.87872%0.718SS**  trans-166.8101160.6-85-70.3000106.3
892T25.8Very low25.8Very low106 Ų106139.4 Ų139.465%0.6572%0.716SS**  60.2138.280.171.40000113.4
893D23.3Very low25.9Very low143 Ų143137.5 Ų137.577%0.76572%0.721SS**  cis-158.5-173.714.7-151.4-12.8000112.1
894L27.8Very low25.9Very low131 Ų131140.5 Ų140.569%0.68673%0.73SS**  trans82.691.5159.1-102.767.3000120.3
895E23.6Very low26.4Very low163 Ų163134.9 Ų134.976%0.76272%0.722SS**  64.3115.5118.2-71.2-154.3101.600123.8
896V24.9Very low26.9Very low124 Ų124136.6 Ų136.675%0.75273%0.73SS**  85.4143.8122.8173.10000120.2
897S27.1Very low27Very low100 Ų100130.9 Ų130.970%0.69973%0.726SS**  trans82.7129.5173.4-152.40000114.8
898H30.8Very low27Very low152 Ų152128.2 Ų128.270%0.70473%0.731SS**  cis-152.4135.10.3-130.4-151.1000106.5
899K31.9Very low27Very low163 Ų163129.2 Ų129.271%0.70974%0.739SS**  56.9126.982.2-168.5-172.2-1791780113.2
900S33.5Very low27.1Very low79 Ų79125.2 Ų125.255%0.55275%0.747SS**  cis-165176.9-6.555.20000108.2
901E26.1Very low27.1Very low151 Ų151124.3 Ų124.371%0.70676%0.755SS**  -142.9147.970-166.2140.5-154.400111.7
902I29.8Very low27Very low125 Ų125121.8 Ų121.864%0.64176%0.756SS**  trans-140.5132-150.9-61161.6000111.1N904I902-N904 WeakPolarHBondContact CG2-ND2 3.5Å
903A26Very low26.9Very low105 Ų105120.9 Ų120.987%0.86876%0.759SS**  trans-137118.7153.400000108.6
904N24.1Very low27Very low144 Ų144119.6 Ų119.677%0.7776%0.76SS**  trans-95.1160.5-179.2-90.4-67.5000112.3I902I902-N904 WeakPolarHBondContact CG2-ND2 3.5Å
905A33.5Very low26.8Very low86 Ų86118.8 Ų118.871%0.71176%0.761SS**  trans-37.7159.8149.500000113.4
906P34.7Very low26.9Very low133 Ų133118.5 Ų118.586%0.86476%0.76SS**  -139.6-176.958.739.3-20000113.5
907G23.6Very low27Very low74 Ų74119.5 Ų119.576%0.76376%0.76SS**  cis-171.8175.72.500000111.4
908G24.5Very low27.8Very low78 Ų78118.9 Ų118.980%0.80475%0.754SS**  trans-88.1158.1-169.800000116.9
909A25Very low27.8Very low111 Ų111119.6 Ų119.692%0.91776%0.757SS**  trans58.397.715100000119.9
910A23.8Very low27.5Very low107 Ų107117.5 Ų117.588%0.88475%0.753SS**  trans-143.3144.7146.100000110.4
911S24Very low27.3Very low111 Ų111120.8 Ų120.878%0.77676%0.764SS**  trans-88.5151.1-163.9-46.40000115.6
912L23.1Very low27.4Very low172 Ų172117.5 Ų117.590%0.90176%0.758SS**  trans68.8142.4149.6-76.7165000121.6
913A24.6Very low27.4Very low86 Ų86118.9 Ų118.971%0.71177%0.765SS**  trans105.1107.2143.800000121.1
914C23.7Very low27.4Very low116 Ų116121.7 Ų121.778%0.78476%0.758SS**  76.3106.4128.4-60.70000123.8
915T24.1Very low27.5Very low114 Ų114121.1 Ų121.170%0.69976%0.755SS**  89.1120.5110.1-51.10000122.2
916E25.8Very low27.2Very low158 Ų158123.1 Ų123.174%0.73876%0.758SS**  trans82.3115.6144.9-84.1-175.7111.500126.6
917L28.2Very low26.7Very low145 Ų145124.7 Ų124.776%0.75975%0.754SS**  78.7173.1119.2-119.174.1000119.4
918P42.8Very low27.3Very low87 Ų87126.3 Ų126.357%0.56575%0.751SS**  -143.5-165.1-8446.7-30.7000118.8
919H30.2Very low27.3Very low166 Ų166129.8 Ų129.877%0.76974%0.744SS**  trans81.1146146.7-78.2-39000120.2
920D26.9Very low27.5Very low119 Ų119131.1 Ų131.164%0.63674%0.741SS**  cis-168.4175.1-8.8-147.8-16.5000114.4
921L29.6Very low27.6Very low149 Ų149131.9 Ų131.978%0.7873%0.726SS**  trans68.2152155.4-62.8167.5000121.3
922S27Very low27.7Very low82 Ų82133.9 Ų133.957%0.57372%0.723SS**  cis-176141.6-19.765.70000116.1
923L29.6Very low27.8Very low153 Ų153132.4 Ų132.480%0.80171%0.709SS**  trans64163.3142.5-59.3166.2000120.2
924K27.6Very low27.9Very low165 Ų165135 Ų13572%0.71771%0.71SS**  cis-167.8168.7-13-126.1-178.5174-178.60114.4
925N25.1Very low27.8Very low132 Ų132134.1 Ų134.171%0.70671%0.705SS**  trans70.4156.9148.1-76.614.4000120.7
926V28.3Very low27.7Very low128 Ų128138.5 Ų138.578%0.77671%0.714SS**  cis-163167.5-12.9126.70000112.6
927Q23.7Very low27.7Very low165 Ų165135.6 Ų135.677%0.77171%0.711SS**  trans-65.1-170.1174.1-111.5-164.355.800116.4
928P36.5Very low27.4Very low108 Ų108136 Ų13670%0.70171%0.714SS**  cis-140.81599.740.5-20.1000121
929K24.7Very low26.6Very low152 Ų152138.1 Ų138.166%0.66172%0.721SS**  trans19.9143.8135.3-150.7175.1-158.7-130.30124.7E931K929-E931 WeakPolarHBondContact CE-OE1 3.44Å; K929-E931 WeakPolarHBondContact CE-OE2 3.39Å; K929-E931 VanDerWaalsContact CG-OE1 3.26Å; K929-E931 WeakPolarHBondContact CG-OE1 3.47Å; K929-E931 IonicContact NZ-OE1 3.55Å; K929-E931 IonicContact NZ-OE2 3.58Å; K929-E931 PolarHBondContact NZ-OE2 2.83Å
930V27.6Very low26.2Very low139 Ų139138.8 Ų138.884%0.84272%0.722SS**  trans156.8148143149.60000112.8
931E25.5Very low26Very low123 Ų123138 Ų13858%0.57573%0.726SS**  cis-159.9-43.2-43.2-144.778.8-48.100116.9K929K929-E931 WeakPolarHBondContact CE-OE1 3.44Å; K929-E931 WeakPolarHBondContact CE-OE2 3.39Å; K929-E931 VanDerWaalsContact CG-OE1 3.26Å; K929-E931 WeakPolarHBondContact CG-OE1 3.47Å; K929-E931 IonicContact NZ-OE1 3.55Å; K929-E931 IonicContact NZ-OE2 3.58Å; K929-E931 PolarHBondContact NZ-OE2 2.83Å
932E26.3Very low25.8Very low152 Ų152138.9 Ų138.971%0.7172%0.723SS**  trans-149.1158.1-162.1-129.6-155.8160.700121
933K26.7Very low25.5Very low142 Ų142142.4 Ų142.462%0.61774%0.736SS**  trans79.4118.8144.9-91.6-175.2177.673.70126.8
934I25.5Very low25.4Very low140 Ų140139 Ų13972%0.71874%0.737SS**  75145.6121.6-76.4176000124.1
935S22.1Very low25.1Very low97 Ų97136.6 Ų136.668%0.67874%0.742SS**  trans97.1115.9149.458.60000123.5
936F22.8Very low25.2Very low207 Ų207134.4 Ų134.491%0.90874%0.741SS**  50.4147.4129.1-75.4-87.7000124.2
937S24.4Very low25Very low96 Ų96135 Ų13567%0.67175%0.746SS**  trans-59.1159.4159.8-42.60000112.9
938D23.7Very low25Very low153 Ų153132.1 Ų132.182%0.81874%0.744SS**  -171.9161.6103.3-105-18.6000116.3
939D24.1Very low24.6Very low133 Ų133135.9 Ų135.971%0.71175%0.749SS**  trans47.5116.3152.5-90.7-7.1000124.8
940F22.8Very low24.6Very low180 Ų180135 Ų13579%0.78976%0.756SS**  46.5122.4105.9-99.7-109000121.6
941S22.8Very low24.3Very low102 Ų102135 Ų13571%0.71375%0.751SS**  78.5168.2127.9104.90000118.3
942K24.6Very low24.3Very low167 Ų167136.8 Ų136.873%0.72676%0.763SS**  cis-177.7129.1-27.8163.9178.9-179.5178.90110.2
943N21.6Very low24.2Very low157 Ų157137 Ų13784%0.8477%0.768SS**  trans62.5149.2164.8-59.8-0.1000118.2
944G26.5Very low25Very low81 Ų81135.5 Ų135.584%0.83577%0.773SS**  trans-17586.817900000114.2
945S23Very low25.5Very low115 Ų115133.5 Ų133.580%0.80477%0.769SS**  trans-52.5134-173.852.70000118.8
946A25.5Very low25.6Very low85 Ų85136 Ų13670%0.70278%0.775SS**  trans40135.9133.800000122.9
947T24.6Very low25.7Very low141 Ų141131.9 Ų131.987%0.86577%0.767SS**  179.4125.310828.50000116.4
948S24.5Very low25.8Very low104 Ų104132.4 Ų132.473%0.72777%0.77SS**  trans29.1123.7142.9-163.90000123.5
949K27.8Very low25.9Very low187 Ų187129.7 Ų129.781%0.81377%0.769SS**  175.8133.9112.9-97.5163.8-175170.60116.4
950V25Very low25.7Very low134 Ų134130.5 Ų130.581%0.81277%0.773SS**  46.9136.2127.6174.90000119.9
951L21.3Very low25.7Very low140 Ų140127.1 Ų127.173%0.73377%0.767SS**  cis179.6139.4-9.7172.682.2000108.8
952L24.2Very low25.7Very low159 Ų159128.2 Ų128.283%0.83277%0.769SS**  trans162.3164.2134.8-87.1170.9000113.9
953L25.1Very low25.7Very low157 Ų157129 Ų12982%0.82278%0.776SS**  trans-147.5174.3-165.2-84164.4000110.8
954P43.7Very low25.8Very low110 Ų110125.4 Ų125.471%0.71477%0.768SS**  cis-114.5-102.9-25.330.7-9.2000109
955P36.5Very low25.6Very low99 Ų99130.2 Ų130.264%0.64377%0.769SS**  cis-122.1169.4-12.843.5-28.6000115.8
956D22.4Very low25.9Very low149 Ų149132.5 Ų132.580%0.79777%0.77SS**  trans45.5139.2138.6-6810.7000123.5
957V26.7Very low25.9Very low120 Ų120132 Ų13273%0.72777%0.773SS**  cis-160.1143.8-10.3105.70000113.5
958S25.2Very low26.1Very low107 Ų107128.8 Ų128.875%0.74877%0.768SS**  trans39.9144.2150.2-52.80000126.5
959A25.3Very low26.2Very low97 Ų97131.7 Ų131.780%0.80277%0.774SS**  trans90.4151.9135.200000120.9
960L21.2Very low26.1Very low149 Ų149129.5 Ų129.578%0.7878%0.776SS**  cis-174.9156.7-28.3-17757.3000108.3
961T22.3Very low26.3Very low109 Ų109132.2 Ų132.267%0.66978%0.777SS**  trans54.8109.6160.639.30000121.1
962T23.5Very low27.4Very low125 Ų125131.4 Ų131.477%0.76778%0.78SS**  20136.4113.2-19.20000121.8
963Q23.6Very low27.5Very low185 Ų185132.9 Ų132.986%0.86478%0.78SS**  trans92.1132.7138.5-120.4-173.50.300123.2
964A24.3Very low27.5Very low80 Ų80131 Ų13166%0.66177%0.774SS**  trans69.4105.4140.800000123.5
965E22.8Very low26.8Very low183 Ų183133.9 Ų133.986%0.85578%0.783SS**  82155.7118.4-149.7175.3152.200122.4
966I27.7Very low26.3Very low162 Ų162135.9 Ų135.983%0.83179%0.785SS**  trans96.5123.7168.9-52.9173.3000116.1
967G26.3Very low26.8Very low74 Ų74134.8 Ų134.876%0.76377%0.773SS**  trans-119.4-169.9173.800000112.7
968G28.1Very low26.9Very low75 Ų75136.3 Ų136.377%0.77377%0.772SS**  cis-128-139.40.600000112.4
969I27Very low27.1Very low165 Ų165135 Ų13585%0.84677%0.768SS**  cis-153.1166.414-56.3176.4000108.8
970V26.3Very low27.4Very low140 Ų140138 Ų13885%0.84877%0.766SS**  trans101.7152.4166-169.10000116.8
971K29Very low27.8Very low192 Ų192138.2 Ų138.284%0.83576%0.76SS**  trans-121.1-161.9-165.3-52.3-177.5177-179.90113.3
972P44.3Very low27.9Very low123 Ų123140.2 Ų140.280%0.79977%0.767SS**  -135-161.1-106.143.4-22.3000116.3
973K27.3Very low28.4Very low190 Ų190141.8 Ų141.883%0.82677%0.77SS**  trans129.9140.1133.8-150.6-156.616975.20118.7
974V24.4Very low29Very low118 Ų118138.2 Ų138.272%0.71576%0.762SS**  trans72.4136.5160.5-154.90000122.6
975L28.2Very low29.1Very low169 Ų169138.4 Ų138.489%0.88576%0.759SS**  trans-155.6156.6140.9-156.7131.5000112.2
976M27.1Very low29.2Very low141 Ų141136.3 Ų136.370%0.69575%0.754SS**  trans-164.3168-177.4-164.2-170.1172.400113.5
977K31.6Very low29.3Very low126 Ų126135.5 Ų135.555%0.54876%0.757SS.*  trans81.2158.8165.6-45.9-166.284.9-152.80116.6
978E30.2Very low29.9Very low152 Ų152140.9 Ų140.971%0.7176%0.762SS**  cis-162.6-177.54.8-133.4161.6157.500109.7
979A29.7Very low30.1Very low80 Ų80147.1 Ų147.166%0.66177%0.768SS**  cis-164.3170.73.700000114
980E30.8Very low30.7Very low160 Ų160148.5 Ų148.575%0.74877%0.771SS**  trans71.6119.8144.1-110-163.6107.100126.9
981K28.4Very low30.9Very low154 Ų154149.5 Ų149.567%0.6777%0.771SS**  113.8109.9116.5-152.8-174.8-154.1103.50124.3
982N25.7Very low31.3Very low151 Ų151151 Ų15181%0.80777%0.772SS**  trans75.4153.7146-66.311.2000125
983L33.4Very low30.9Very low157 Ų157150 Ų15082%0.82277%0.768SS**  trans-149.6156.4-179-158.188.4000110.7
984P37.3Very low31.5Very low110 Ų110145.8 Ų145.871%0.71476%0.76SS**  -133.7162.490.813.411.1000113.4
985S24.9Very low32.3Very low84 Ų84144.4 Ų144.459%0.58776%0.755SS**  64.2133.867.8128.70000113.8
986D26.1Very low33.1Very low140 Ų140140.2 Ų140.275%0.74975%0.745SS**  cis-151.71610.3-78.4-49.9000112.1
987T29.9Very low34.1Very low145 Ų145139.7 Ų139.789%0.8974%0.744SS**  -175.2131.312913.40000112.5
988E39.2Very low34.6Very low186 Ų186139.5 Ų139.587%0.86974%0.743SS**  trans-79.1150.3171.4-59.8169.3107.300112
989K30.7Very low35.4Very low206 Ų206136.1 Ų136.190%0.89674%0.736SS**  trans-146.4142.4130.6-72.6-153.1174.9-169.10110
990E41.1Very low36Very low195 Ų195135.1 Ų135.191%0.91173%0.728SS**  trans-64155.7166.8-59.617499.700111
991D29.8Very low36.8Very low161 Ų161133.2 Ų133.286%0.86172%0.719SS**  trans-139.4157.9148.5-148.3-18.3000110.7
992R36.3Very low37.9Very low223 Ų223131.1 Ų131.184%0.84272%0.715SS**  trans-110.1116-151-174.4-177.8-175.189.5-2.7112.1P994R992-P994 VanDerWaalsContact O-CD 3.32Å; R992-P994 WeakPolarHBondContact O-CD 3.33Å
993S36Very low39.4Very low103 Ų103126.8 Ų126.872%0.7270%0.696SS**  trans-52.5117-176.5-55.20000114.6S995S993-S995 PolarHBondContact O-N 3.34Å
994P40.5Very low40.8Very low101 Ų101126.8 Ų126.866%0.65669%0.689SS**  trans-95.556.6178.937.7-34.2000112R992 F998R992-P994 VanDerWaalsContact O-CD 3.32Å; R992-P994 WeakPolarHBondContact O-CD 3.33Å; P994-F998 WeakPolarHBondContact O-CD2 3.1Å
995S41.2Very low42Very low89 Ų89124.8 Ų124.862%0.62268%0.675SS**THydrogen-bonded Turntrans-90.3-15.1-16948.70000116.3S993 S999S993-S995 PolarHBondContact O-N 3.34Å; S995-S999 PolarHBondContact O-OG 3.11Å
996A44.8Very low44.1Very low81 Ų81124.1 Ų124.167%0.66967%0.671SS**THydrogen-bonded Turntrans-80.4-41-173.100000114.4
997I47.4Very low46.3Very low129 Ų129121.8 Ų121.866%0.66266%0.661SS**THydrogen-bonded Turntrans-75.4-46.3-169.8-60.1176.7000111.4S999 A1000I997-S999 PolarHBondContact O-N 3.46Å; I997-A1000 PolarHBondContact O-N 3.4Å
998F43.4Very low48.5Very low123 Ų123118.4 Ų118.454%0.53964%0.64SS.*Hα-helixtrans-58.3-26.3-178.9-72-71.4000113.7P994 A1000 E1001 L1002P994-F998 WeakPolarHBondContact O-CD2 3.1Å; F998-A1000 VanDerWaalsContact C-N 3.29Å; F998-A1000 PolarHBondContact O-N 3.38Å; F998-E1001 PolarHBondContact O-N 3.33Å; F998-L1002 VanDerWaalsContact O-CB 3.25Å; F998-L1002 WeakPolarHBondContact O-CB 3.41Å; F998-L1002 PolarHBondContact O-N 3.34Å
999S46.6Very low50.2Low81 Ų81111.5 Ų111.557%0.56661%0.609SS**Hα-helixtrans-67.3-27178.1-59.90000113.4S995 I997 S1003S995-S999 PolarHBondContact O-OG 3.11Å; I997-S999 PolarHBondContact O-N 3.46Å; S999-S1003 PolarHBondContact O-N 2.91Å; S999-S1003 PolarHBondContact O-OG 3.17Å
1000A43.4Very low52.3Low59 Ų59103.3 Ų103.349%0.48858%0.575SS.*Hα-helixtrans-90.4-20.6178.800000113.5I997 F998 S1003I997-A1000 PolarHBondContact O-N 3.4Å; F998-A1000 VanDerWaalsContact C-N 3.29Å; F998-A1000 PolarHBondContact O-N 3.38Å; A1000-S1003 PolarHBondContact O-OG 2.92Å; A1000-S1003 VanDerWaalsContact O-OG 3.13Å
1001E46.1Very low54.1Low120 Ų12095.8 Ų95.856%0.56154%0.541SS*.Hα-helixtrans-87.7-42.2171.8-65.9-168.4128.500111.4F998 S1003 K1004 T1005F998-E1001 PolarHBondContact O-N 3.33Å; E1001-S1003 PolarHBondContact O-N 3.37Å; E1001-K1004 PolarHBondContact O-N 3.39Å; E1001-K1004 VanDerWaalsContact O-N 3.09Å; E1001-T1005 PolarHBondContact O-N 2.95Å
1002L52.9Low56.4Low110 Ų11092.8 Ų92.858%0.57652%0.518SS*.Hα-helixtrans-61.4-30.5173.5-87.6167.5000112.8F998 T1005 S1006F998-L1002 VanDerWaalsContact O-CB 3.25Å; F998-L1002 WeakPolarHBondContact O-CB 3.41Å; F998-L1002 PolarHBondContact O-N 3.34Å; L1002-T1005 PolarHBondContact O-OG1 2.89Å; L1002-S1006 WeakPolarHBondContact O-CA 3.49Å; L1002-S1006 WeakPolarHBondContact O-CB 3.23Å; L1002-S1006 PolarHBondContact O-N 3.43Å
1003S56.9Low58.5Low60 Ų6085.9 Ų85.942%0.4249%0.492SS..Hα-helixtrans-69-38.8174.161.90000111.8S999 A1000 E1001 V1007S999-S1003 PolarHBondContact O-N 2.91Å; S999-S1003 PolarHBondContact O-OG 3.17Å; A1000-S1003 PolarHBondContact O-OG 2.92Å; A1000-S1003 VanDerWaalsContact O-OG 3.13Å; E1001-S1003 PolarHBondContact O-N 3.37Å; S1003-V1007 VanDerWaalsContact O-CB 3.31Å; S1003-V1007 WeakPolarHBondContact O-CB 3.35Å; S1003-V1007 WeakPolarHBondContact O-CG2 3.3Å; S1003-V1007 PolarHBondContact O-N 2.84Å
1004K62.6Low60.5Low156 Ų15689.7 Ų89.768%0.67849%0.491SS*.Hα-helixtrans-66.3-48.3174.2-72.3179.3179.5177.10112E1001 V1008E1001-K1004 PolarHBondContact O-N 3.39Å; E1001-K1004 VanDerWaalsContact O-N 3.09Å; K1004-V1008 WeakPolarHBondContact O-CG2 3.45Å; K1004-V1008 PolarHBondContact O-N 2.88Å
1005T63.2Low62.4Low68 Ų6889.9 Ų89.942%0.41749%0.486SS..Hα-helixtrans-65.1-46.7177.563.10000110.6E1001 L1002 V1007 V1008 D1009E1001-T1005 PolarHBondContact O-N 2.95Å; L1002-T1005 PolarHBondContact O-OG1 2.89Å; T1005-V1007 PolarHBondContact O-N 3.23Å; T1005-V1008 CarbonylContact O-C 3.41Å; T1005-V1008 PolarHBondContact O-N 3.2Å; T1005-V1008 VanDerWaalsContact O-N 3.14Å; T1005-D1009 VanDerWaalsContact O-CB 3.3Å; T1005-D1009 WeakPolarHBondContact O-CB 3.09Å; T1005-D1009 PolarHBondContact O-N 2.73Å
1006S67Low64.2Low70 Ų7091.1 Ų91.149%0.4949%0.485SS..Hα-helixtrans-59.1-41.7178.2-176.90000112.7L1002 D1009 L1010L1002-S1006 WeakPolarHBondContact O-CA 3.49Å; L1002-S1006 WeakPolarHBondContact O-CB 3.23Å; L1002-S1006 PolarHBondContact O-N 3.43Å; S1006-D1009 PolarHBondContact O-N 2.72Å; S1006-L1010 WeakPolarHBondContact O-CB 3.4Å; S1006-L1010 PolarHBondContact O-N 3.41Å
1007V72.6Confident66.1Low92 Ų9296.2 Ų96.256%0.55849%0.492SS*.Hα-helixtrans-67.6-39.6175.8169.10000111.7S1003 T1005 L1010 L1011S1003-V1007 VanDerWaalsContact O-CB 3.31Å; S1003-V1007 WeakPolarHBondContact O-CB 3.35Å; S1003-V1007 WeakPolarHBondContact O-CG2 3.3Å; S1003-V1007 PolarHBondContact O-N 2.84Å; T1005-V1007 PolarHBondContact O-N 3.23Å; V1007-L1010 WeakPolarHBondContact O-CB 3.47Å; V1007-L1010 PolarHBondContact O-N 3.14Å; V1007-L1011 WeakPolarHBondContact O-CB 3.4Å; V1007-L1011 PolarHBondContact O-N 2.84Å
1008V75.9Confident67.7Low73 Ų7396.7 Ų96.744%0.44249%0.489SS..Hα-helixtrans-65.2-43.2173.6170.30000111K1004 T1005 L1010 L1011 Y1012K1004-V1008 WeakPolarHBondContact O-CG2 3.45Å; K1004-V1008 PolarHBondContact O-N 2.88Å; T1005-V1008 CarbonylContact O-C 3.41Å; T1005-V1008 PolarHBondContact O-N 3.2Å; T1005-V1008 VanDerWaalsContact O-N 3.14Å; V1008-L1010 VanDerWaalsContact C-N 3.26Å; V1008-L1010 PolarHBondContact O-N 2.96Å; V1008-L1011 WeakPolarHBondContact O-CB 3.48Å; V1008-L1011 PolarHBondContact O-N 3.11Å; V1008-L1011 VanDerWaalsContact O-N 3.07Å; V1008-Y1012 HydrophobicContact CG1-CD2 3.79Å; V1008-Y1012 HydrophobicContact CG1-CE2 4.08Å; V1008-Y1012 WeakPolarHBondContact O-CD2 3.26Å; V1008-Y1012 PolarHBondContact O-N 3.36Å
1009D75.8Confident69.7Low41 Ų4190.9 Ų90.922%0.21946%0.463CS..Hα-helixtrans-66.8-30.1178.2-62.6-21.9000111.7T1005 S1006 W1013 R1014T1005-D1009 VanDerWaalsContact O-CB 3.3Å; T1005-D1009 WeakPolarHBondContact O-CB 3.09Å; T1005-D1009 PolarHBondContact O-N 2.73Å; S1006-D1009 PolarHBondContact O-N 2.72Å; D1009-W1013 PolarHBondContact O-N 3.03Å; D1009-R1014 HydrophobicContact CB-CB 4.23Å; D1009-R1014 HydrophobicContact CB-CG 4.42Å; D1009-R1014 PolarHBondContact O-N 2.89Å; D1009-R1014 WeakPolarHBondContact OD1-CD 3.29Å; D1009-R1014 IonicContact OD1-CZ 3.28Å; D1009-R1014 IonicContact OD1-NE 2.73Å; D1009-R1014 IonicContact OD1-NH1 3.07Å; D1009-R1014 PolarHBondContact OD1-NH1 2.97Å
1010L75.3Confident71.7Confident34 Ų3488.4 Ų88.418%0.17845%0.451CS..Hα-helixtrans-69.1-39.8169.9-160.286.7000111.8S1006 V1007 V1008 K1018 T1019 V1022 F1151S1006-L1010 WeakPolarHBondContact O-CB 3.4Å; S1006-L1010 PolarHBondContact O-N 3.41Å; V1007-L1010 WeakPolarHBondContact O-CB 3.47Å; V1007-L1010 PolarHBondContact O-N 3.14Å; V1008-L1010 VanDerWaalsContact C-N 3.26Å; V1008-L1010 PolarHBondContact O-N 2.96Å; L1010-K1018 HydrophobicContact CD1-CB 4.29Å; L1010-T1019 HydrophobicContact CD1-CG2 4.15Å; L1010-T1019 HydrophobicContact CG-CG2 4.33Å; L1010-T1019 VanDerWaalsContact O-CB 3.31Å; L1010-T1019 WeakPolarHBondContact O-CB 3.37Å; L1010-T1019 VanDerWaalsContact O-CG2 3.26Å; L1010-T1019 WeakPolarHBondContact O-CG2 3.3Å; L1010-V1022 HydrophobicContact CD1-CB 4.27Å; L1010-V1022 HydrophobicContact CD1-CG2 4.11Å; L1010-V1022 HydrophobicContact CD2-CB 4.05Å; L1010-V1022 HydrophobicContact CD2-CG1 3.86Å; L1010-V1022 HydrophobicContact CD2-CG2 4.43Å; L1010-F1151 HydrophobicContact CD2-CE1 4.1Å; L1010-F1151 HydrophobicContact CD2-CZ 3.96Å; L1010-F1151 HydrophobicContact CG-CE1 4.11Å; L1010-F1151 HydrophobicContact CG-CZ 4.48Å; L1010-F1151 WeakPolarHBondContact O-CE1 3.32Å
1011L77.9Confident73.8Confident37 Ų3790.3 Ų90.319%0.19446%0.456CS..Hα-helixtrans-74.7-38.1-177.4-157.878.2000112.9V1007 V1008 W1013 L1150 P1154V1007-L1011 WeakPolarHBondContact O-CB 3.4Å; V1007-L1011 PolarHBondContact O-N 2.84Å; V1008-L1011 WeakPolarHBondContact O-CB 3.48Å; V1008-L1011 PolarHBondContact O-N 3.11Å; V1008-L1011 VanDerWaalsContact O-N 3.07Å; L1011-W1013 VanDerWaalsContact C-N 3.28Å; L1011-W1013 PolarHBondContact O-N 2.94Å; L1011-L1150 HydrophobicContact CD1-CD1 3.75Å; L1011-L1150 HydrophobicContact CD1-CG 3.73Å; L1011-L1150 VanDerWaalsContact CD1-O 3.26Å; L1011-L1150 WeakPolarHBondContact CD1-O 3.28Å; L1011-L1150 HydrophobicContact CD2-CD1 4.41Å; L1011-P1154 HydrophobicContact CD2-CG 3.9Å; L1011-P1154 HydrophobicContact CG-CG 4.03Å
1012Y77.6Confident75.7Confident99 Ų9988 Ų8839%0.38845%0.45SS..THydrogen-bonded Turntrans-88.213.6176.2-78.6-95.2000113.1V1008 R1014 P1154V1008-Y1012 HydrophobicContact CG1-CD2 3.79Å; V1008-Y1012 HydrophobicContact CG1-CE2 4.08Å; V1008-Y1012 WeakPolarHBondContact O-CD2 3.26Å; V1008-Y1012 PolarHBondContact O-N 3.36Å; Y1012-R1014 PolarHBondContact O-N 3.42Å; Y1012-P1154 HydrophobicContact CD1-CB 4.08Å; Y1012-P1154 HydrophobicContact CD2-CB 4.34Å; Y1012-P1154 HydrophobicContact CE1-CB 3.9Å; Y1012-P1154 HydrophobicContact CE2-CB 4.19Å; Y1012-P1154 HydrophobicContact CG-CB 4.31Å
1013W81.3Confident77.2Confident78 Ų7884.1 Ų84.130%0.29543%0.429SS..THydrogen-bonded Turntrans57.620.6175.1-73.663.5000116.1D1009 L1011 D1015 I1016 F1023 F1151 V1155D1009-W1013 PolarHBondContact O-N 3.03Å; L1011-W1013 VanDerWaalsContact C-N 3.28Å; L1011-W1013 PolarHBondContact O-N 2.94Å; W1013-D1015 VanDerWaalsContact C-N 3.26Å; W1013-D1015 PolarHBondContact O-N 3.03Å; W1013-I1016 HydrophobicContact CE3-CG2 4.26Å; W1013-I1016 HydrophobicContact CZ3-CG2 4.47Å; W1013-I1016 WeakPolarHBondContact O-CG1 3.33Å; W1013-I1016 PolarHBondContact O-N 3.49Å; W1013-F1023 HydrophobicContact CH2-CD1 4.36Å; W1013-F1023 HydrophobicContact CZ2-CD1 4.02Å; W1013-F1023 HydrophobicContact CZ2-CE1 4.39Å; W1013-F1151 AromaticContact NE1-CD1 3.96Å; W1013-F1151 PolarHBondContact NE1-O 3.48Å; W1013-V1155 HydrophobicContact CB-CG2 4.03Å; W1013-V1155 HydrophobicContact CG-CG2 3.76Å
1014R78.9Confident78.7Confident183 Ų18382.8 Ų82.869%0.69142%0.424SS*.THydrogen-bonded Turntrans-60.4-38.2-175.8-59178106.1178.83.6111.8D1009 Y1012D1009-R1014 HydrophobicContact CB-CB 4.23Å; D1009-R1014 HydrophobicContact CB-CG 4.42Å; D1009-R1014 PolarHBondContact O-N 2.89Å; D1009-R1014 WeakPolarHBondContact OD1-CD 3.29Å; D1009-R1014 IonicContact OD1-CZ 3.28Å; D1009-R1014 IonicContact OD1-NE 2.73Å; D1009-R1014 IonicContact OD1-NH1 3.07Å; D1009-R1014 PolarHBondContact OD1-NH1 2.97Å; Y1012-R1014 PolarHBondContact O-N 3.42Å
1015D78.7Confident79.8Confident105 Ų10578.2 Ų78.256%0.56142%0.415SS*.THydrogen-bonded Turntrans-106.266.9174.2-104.8-38.8000111W1013 K1017 K1018 T1019W1013-D1015 VanDerWaalsContact C-N 3.26Å; W1013-D1015 PolarHBondContact O-N 3.03Å; D1015-K1017 PolarHBondContact O-N 3.14Å; D1015-K1018 HydrophobicContact CB-CB 4.16Å; D1015-K1018 HydrophobicContact CB-CG 4.29Å; D1015-K1018 WeakPolarHBondContact O-CA 3.31Å; D1015-K1018 PolarHBondContact O-N 2.89Å; D1015-T1019 HydrophobicContact CB-CG2 4.47Å; D1015-T1019 WeakPolarHBondContact O-CG2 3.32Å; D1015-T1019 PolarHBondContact O-N 3.45Å
1016I80.8Confident80.9Confident115 Ų11576.8 Ų76.859%0.5941%0.408SS*.Hα-helixtrans-41.3-37.8-173.7-56.7173.1000113.9W1013 T1019 G1020W1013-I1016 HydrophobicContact CE3-CG2 4.26Å; W1013-I1016 HydrophobicContact CZ3-CG2 4.47Å; W1013-I1016 WeakPolarHBondContact O-CG1 3.33Å; W1013-I1016 PolarHBondContact O-N 3.49Å; I1016-T1019 WeakPolarHBondContact CA-OG1 3.33Å; I1016-T1019 PolarHBondContact O-OG1 3.18Å; I1016-G1020 PolarHBondContact O-N 3.41Å
1017K83.4Confident81.8Confident187 Ų18775.6 Ų75.681%0.81340%0.396SS*.Hα-helixtrans-71.3-24.5179.5-63.5179.6-178.8176.40114.5D1015 V1021D1015-K1017 PolarHBondContact O-N 3.14Å; K1017-V1021 WeakPolarHBondContact O-CG2 3.44Å
1018K81.2Confident82.4Confident140 Ų14078.1 Ų78.161%0.60940%0.4SS*.Hα-helixtrans-93.8-44.3173.3-62-66.3-171.3171.20110.3L1010 D1015 V1021 V1022L1010-K1018 HydrophobicContact CD1-CB 4.29Å; D1015-K1018 HydrophobicContact CB-CB 4.16Å; D1015-K1018 HydrophobicContact CB-CG 4.29Å; D1015-K1018 WeakPolarHBondContact O-CA 3.31Å; D1015-K1018 PolarHBondContact O-N 2.89Å; K1018-V1021 PolarHBondContact O-N 2.6Å; K1018-V1022 WeakPolarHBondContact O-CG2 3.39Å; K1018-V1022 PolarHBondContact O-N 2.9Å
1019T85.9Confident82.7Confident0 Ų079.5 Ų79.50%040%0.404CS..Hα-helixtrans-61.4-51-178.277.50000110.4L1010 D1015 I1016 V1021 V1022 F1023L1010-T1019 HydrophobicContact CD1-CG2 4.15Å; L1010-T1019 HydrophobicContact CG-CG2 4.33Å; L1010-T1019 VanDerWaalsContact O-CB 3.31Å; L1010-T1019 WeakPolarHBondContact O-CB 3.37Å; L1010-T1019 VanDerWaalsContact O-CG2 3.26Å; L1010-T1019 WeakPolarHBondContact O-CG2 3.3Å; D1015-T1019 HydrophobicContact CB-CG2 4.47Å; D1015-T1019 WeakPolarHBondContact O-CG2 3.32Å; D1015-T1019 PolarHBondContact O-N 3.45Å; I1016-T1019 WeakPolarHBondContact CA-OG1 3.33Å; I1016-T1019 PolarHBondContact O-OG1 3.18Å; T1019-V1021 VanDerWaalsContact C-N 3.3Å; T1019-V1021 PolarHBondContact O-N 2.96Å; T1019-V1022 PolarHBondContact O-N 3.45Å; T1019-F1023 WeakPolarHBondContact O-CB 3.31Å; T1019-F1023 PolarHBondContact O-N 3.48Å
1020G87.8Confident82.8Confident29 Ų2978.7 Ų78.730%0.29940%0.4SS..Hα-helixtrans-65.7-27.4178.800000114.1I1016 G1024I1016-G1020 PolarHBondContact O-N 3.41Å; G1020-G1024 WeakPolarHBondContact O-CA 3.25Å; G1020-G1024 PolarHBondContact O-N 3.32Å
1021V88.1Confident82.9Confident99 Ų9981.8 Ų81.860%0.642%0.416SS*.Hα-helixtrans-76.1-44.1174.8169.30000111.3K1017 K1018 T1019 A1025K1017-V1021 WeakPolarHBondContact O-CG2 3.44Å; K1018-V1021 PolarHBondContact O-N 2.6Å; T1019-V1021 VanDerWaalsContact C-N 3.3Å; T1019-V1021 PolarHBondContact O-N 2.96Å; V1021-A1025 WeakPolarHBondContact O-CB 3.09Å; V1021-A1025 PolarHBondContact O-N 2.85Å
1022V86Confident82.6Confident73 Ų7382.5 Ų82.544%0.44242%0.424SS..Hα-helixtrans-70.8-44.6178.1178.60000110.9L1010 K1018 T1019 S1026L1010-V1022 HydrophobicContact CD1-CB 4.27Å; L1010-V1022 HydrophobicContact CD1-CG2 4.11Å; L1010-V1022 HydrophobicContact CD2-CB 4.05Å; L1010-V1022 HydrophobicContact CD2-CG1 3.86Å; L1010-V1022 HydrophobicContact CD2-CG2 4.43Å; K1018-V1022 WeakPolarHBondContact O-CG2 3.39Å; K1018-V1022 PolarHBondContact O-N 2.9Å; T1019-V1022 PolarHBondContact O-N 3.45Å; V1022-S1026 WeakPolarHBondContact O-CB 3.08Å; V1022-S1026 PolarHBondContact O-N 2.96Å
1023F85.1Confident82.3Confident28 Ų2880.9 Ų80.912%0.12342%0.422CS..Hα-helixtrans-60.4-48.8173.5177-112.6000111.2W1013 T1019 S1026 L1027 L1147 I1148 F1151W1013-F1023 HydrophobicContact CH2-CD1 4.36Å; W1013-F1023 HydrophobicContact CZ2-CD1 4.02Å; W1013-F1023 HydrophobicContact CZ2-CE1 4.39Å; T1019-F1023 WeakPolarHBondContact O-CB 3.31Å; T1019-F1023 PolarHBondContact O-N 3.48Å; F1023-S1026 PolarHBondContact O-N 2.78Å; F1023-L1027 HydrophobicContact CE1-CD2 4.06Å; F1023-L1027 HydrophobicContact CZ-CD2 3.99Å; F1023-L1027 WeakPolarHBondContact O-CB 3.34Å; F1023-L1027 PolarHBondContact O-N 3.22Å; F1023-L1147 HydrophobicContact CD2-CG 4.32Å; F1023-L1147 HydrophobicContact CE2-CG 4.23Å; F1023-I1148 HydrophobicContact CE2-CG1 4.42Å; F1023-I1148 HydrophobicContact CZ-CG1 4.1Å; F1023-F1151 HydrophobicContact CB-CD1 4.08Å; F1023-F1151 HydrophobicContact CB-CE1 4.16Å; F1023-F1151 HydrophobicContact CB-CG 4.31Å; F1023-F1151 HydrophobicContact CB-CZ 4.46Å; F1023-F1151 HydrophobicContact CD2-CB 3.64Å; F1023-F1151 HydrophobicContact CD2-CD1 4.13Å; F1023-F1151 AromaticContact CD2-CD2 3.55Å; F1023-F1151 HydrophobicContact CD2-CD2 3.55Å; F1023-F1151 HydrophobicContact CD2-CE2 4.2Å; F1023-F1151 AromaticContact CD2-CG 3.5Å; F1023-F1151 HydrophobicContact CD2-CG 3.5Å; F1023-F1151 VanDerWaalsContact CD2-CG 3.5Å; F1023-F1151 HydrophobicContact CE2-CB 3.77Å; F1023-F1151 HydrophobicContact CE2-CD2 4.17Å; F1023-F1151 HydrophobicContact CE2-CG 4.11Å; F1023-F1151 HydrophobicContact CG-CB 4.33Å; F1023-F1151 HydrophobicContact CG-CD1 4.33Å; F1023-F1151 HydrophobicContact CG-CD2 4.47Å; F1023-F1151 HydrophobicContact CG-CG 4.13Å
1024G88.5Confident81.7Confident31 Ų3178.2 Ų78.232%0.3241%0.414SS..Hα-helixtrans-63-43.1178.800000113.4G1020 F1028G1020-G1024 WeakPolarHBondContact O-CA 3.25Å; G1020-G1024 PolarHBondContact O-N 3.32Å; G1024-F1028 WeakPolarHBondContact O-CB 3.49Å; G1024-F1028 PolarHBondContact O-N 3.42Å
1025A85.6Confident81.1Confident60 Ų6075.7 Ų75.750%0.49642%0.419SS..Hα-helixtrans-68.7-4017700000112.3V1021 L1029V1021-A1025 WeakPolarHBondContact O-CB 3.09Å; V1021-A1025 PolarHBondContact O-N 2.85Å; A1025-L1029 VanDerWaalsContact O-CB 3.3Å; A1025-L1029 WeakPolarHBondContact O-CB 3.48Å; A1025-L1029 PolarHBondContact O-N 3.01Å
1026S85.3Confident80Confident38 Ų3878 Ų7827%0.26642%0.424SS..Hα-helixtrans-66.9-45.3175.7-176.40000111.3V1022 F1023 F1028 L1029 L1030 L1147V1022-S1026 WeakPolarHBondContact O-CB 3.08Å; V1022-S1026 PolarHBondContact O-N 2.96Å; F1023-S1026 PolarHBondContact O-N 2.78Å; S1026-F1028 PolarHBondContact O-N 2.81Å; S1026-L1029 PolarHBondContact O-N 3.12Å; S1026-L1030 WeakPolarHBondContact O-CB 3.45Å; S1026-L1030 WeakPolarHBondContact O-CD1 3.31Å; S1026-L1030 PolarHBondContact O-N 3.46Å; S1026-L1147 WeakPolarHBondContact OG-CD2 3.18Å
1027L86.7Confident79.2Confident46 Ų4674.6 Ų74.624%0.24141%0.41CS..Hα-helixtrans-64-37.7175.9-177.261.9000112.1F1023 L1031 I1144 L1147 I1148F1023-L1027 HydrophobicContact CE1-CD2 4.06Å; F1023-L1027 HydrophobicContact CZ-CD2 3.99Å; F1023-L1027 WeakPolarHBondContact O-CB 3.34Å; F1023-L1027 PolarHBondContact O-N 3.22Å; L1027-L1031 WeakPolarHBondContact O-CB 3.37Å; L1027-L1031 PolarHBondContact O-N 3.03Å; L1027-I1144 HydrophobicContact CD1-CG1 4.26Å; L1027-I1144 HydrophobicContact CD1-CG2 3.8Å; L1027-L1147 HydrophobicContact CB-CD2 4.19Å; L1027-I1148 HydrophobicContact CD1-CD1 4.34Å; L1027-I1148 HydrophobicContact CD1-CG1 4.28Å
1028F84.8Confident78.2Confident145 Ų14569.4 Ų69.464%0.63639%0.391SS*.Hα-helixtrans-69.9-39.9175.2179.3-94.5000112.6G1024 S1026 L1031 S1032G1024-F1028 WeakPolarHBondContact O-CB 3.49Å; G1024-F1028 PolarHBondContact O-N 3.42Å; S1026-F1028 PolarHBondContact O-N 2.81Å; F1028-L1031 PolarHBondContact O-N 3.06Å; F1028-S1032 WeakPolarHBondContact O-CB 3.42Å; F1028-S1032 PolarHBondContact O-N 2.77Å; F1028-S1032 PolarHBondContact O-OG 2.79Å
1029L81.1Confident77.6Confident102 Ų10265 Ų6553%0.53438%0.375SS..Hα-helixtrans-61.3-48.8173.3176.963.3000110.4A1025 S1026 S1032 L1033A1025-L1029 VanDerWaalsContact O-CB 3.3Å; A1025-L1029 WeakPolarHBondContact O-CB 3.48Å; A1025-L1029 PolarHBondContact O-N 3.01Å; S1026-L1029 PolarHBondContact O-N 3.12Å; L1029-S1032 WeakPolarHBondContact O-CB 3.4Å; L1029-S1032 PolarHBondContact O-N 2.86Å; L1029-L1033 HydrophobicContact CD1-CD1 3.91Å; L1029-L1033 HydrophobicContact CG-CD1 4.44Å; L1029-L1033 VanDerWaalsContact O-CD1 3.26Å; L1029-L1033 WeakPolarHBondContact O-CD1 3.11Å; L1029-L1033 PolarHBondContact O-N 2.74Å; L1029-L1033 VanDerWaalsContact O-N 3.08Å
1030L79Confident76.6Confident23 Ų2366.6 Ų66.612%0.1239%0.387CS..Hα-helixtrans-56.7-51.9172.4-95.863.6000110.8S1026 S1032 L1033 T1034 L1140 L1143 I1144 L1147S1026-L1030 WeakPolarHBondContact O-CB 3.45Å; S1026-L1030 WeakPolarHBondContact O-CD1 3.31Å; S1026-L1030 PolarHBondContact O-N 3.46Å; L1030-S1032 PolarHBondContact O-N 2.7Å; L1030-L1033 CarbonylContact O-C 3.35Å; L1030-L1033 WeakPolarHBondContact O-CA 3.36Å; L1030-L1033 PolarHBondContact O-N 2.99Å; L1030-T1034 PolarHBondContact O-N 2.92Å; L1030-T1034 PolarHBondContact O-OG1 2.75Å; L1030-L1140 HydrophobicContact CB-CD2 3.86Å; L1030-L1140 HydrophobicContact CG-CD2 4.14Å; L1030-L1140 HydrophobicContact CG-CG 4.47Å; L1030-L1140 WeakPolarHBondContact O-CD2 3.17Å; L1030-L1143 HydrophobicContact CD1-CD2 4.48Å; L1030-L1143 HydrophobicContact CD2-CB 4.32Å; L1030-L1143 HydrophobicContact CD2-CD2 4.09Å; L1030-L1143 HydrophobicContact CD2-CG 3.89Å; L1030-L1143 HydrophobicContact CG-CD2 4.19Å; L1030-I1144 HydrophobicContact CB-CD1 4.32Å; L1030-I1144 HydrophobicContact CB-CG1 3.78Å; L1030-I1144 HydrophobicContact CD2-CG1 3.86Å; L1030-I1144 HydrophobicContact CG-CG1 4.33Å; L1030-L1147 HydrophobicContact CD2-CB 4.29Å; L1030-L1147 HydrophobicContact CD2-CD2 3.96Å
1031L77.5Confident75.6Confident100 Ų10068.8 Ų68.852%0.52439%0.394SS..Hα-helixtrans-58.2-34.6-178.9-169.565.8000112.4L1027 F1028 T1034 I1144L1027-L1031 WeakPolarHBondContact O-CB 3.37Å; L1027-L1031 PolarHBondContact O-N 3.03Å; F1028-L1031 PolarHBondContact O-N 3.06Å; L1031-T1034 VanDerWaalsContact C-OG1 3.22Å; L1031-T1034 WeakPolarHBondContact CA-OG1 3.22Å; L1031-T1034 PolarHBondContact O-N 3Å; L1031-T1034 PolarHBondContact O-OG1 3.46Å; L1031-I1144 HydrophobicContact CD1-CD1 4.42Å
1032S72.4Confident74.7Confident51 Ų5168 Ų6836%0.35739%0.39SS..Hα-helixtrans-65.3-43.2172.8-56.10000111.8F1028 L1029 L1030 T1034 V1035F1028-S1032 WeakPolarHBondContact O-CB 3.42Å; F1028-S1032 PolarHBondContact O-N 2.77Å; F1028-S1032 PolarHBondContact O-OG 2.79Å; L1029-S1032 WeakPolarHBondContact O-CB 3.4Å; L1029-S1032 PolarHBondContact O-N 2.86Å; L1030-S1032 PolarHBondContact O-N 2.7Å; S1032-T1034 VanDerWaalsContact C-N 3.34Å; S1032-T1034 PolarHBondContact O-N 3.16Å; S1032-V1035 PolarHBondContact O-N 2.7Å
1033L70.3Confident74.1Confident65 Ų6564.7 Ų64.734%0.3437%0.37SS..Hα-helixtrans-72.4-18.9175.8-86.669.4000113.5L1029 L1030 V1035 F1036 I1038 L1140L1029-L1033 HydrophobicContact CD1-CD1 3.91Å; L1029-L1033 HydrophobicContact CG-CD1 4.44Å; L1029-L1033 VanDerWaalsContact O-CD1 3.26Å; L1029-L1033 WeakPolarHBondContact O-CD1 3.11Å; L1029-L1033 PolarHBondContact O-N 2.74Å; L1029-L1033 VanDerWaalsContact O-N 3.08Å; L1030-L1033 CarbonylContact O-C 3.35Å; L1030-L1033 WeakPolarHBondContact O-CA 3.36Å; L1030-L1033 PolarHBondContact O-N 2.99Å; L1033-V1035 VanDerWaalsContact C-N 3.26Å; L1033-V1035 PolarHBondContact O-N 3.48Å; L1033-F1036 CarbonylContact O-C 3.21Å; L1033-I1038 HydrophobicContact CD2-CD1 3.97Å; L1033-I1038 HydrophobicContact CG-CD1 3.96Å; L1033-L1140 HydrophobicContact CB-CD1 3.35Å; L1033-L1140 HydrophobicContact CD2-CD1 4.35Å
1034T69.4Low73.6Confident22 Ų2270.3 Ų70.314%0.13539%0.391CS..Hα-helixtrans-66.1-29.3168.8120000112.7L1030 L1031 S1032 N1138 L1140 T1141 I1144L1030-T1034 PolarHBondContact O-N 2.92Å; L1030-T1034 PolarHBondContact O-OG1 2.75Å; L1031-T1034 VanDerWaalsContact C-OG1 3.22Å; L1031-T1034 WeakPolarHBondContact CA-OG1 3.22Å; L1031-T1034 PolarHBondContact O-N 3Å; L1031-T1034 PolarHBondContact O-OG1 3.46Å; S1032-T1034 VanDerWaalsContact C-N 3.34Å; S1032-T1034 PolarHBondContact O-N 3.16Å; T1034-N1138 WeakPolarHBondContact CG2-ND2 3.33Å; T1034-L1140 HydrophobicContact CG2-CB 4.1Å; T1034-L1140 HydrophobicContact CG2-CD2 3.6Å; T1034-L1140 HydrophobicContact CG2-CG 4.46Å; T1034-T1141 HydrophobicContact CG2-CG2 3.84Å; T1034-I1144 HydrophobicContact CG2-CD1 4.15Å
1035V66.1Low73Confident130 Ų13073.2 Ų73.279%0.78840%0.399SS*.Hα-helixtrans-81.9-26.6-176.61790000111.4S1032 L1033S1032-V1035 PolarHBondContact O-N 2.7Å; L1033-V1035 VanDerWaalsContact C-N 3.26Å; L1033-V1035 PolarHBondContact O-N 3.48Å
1036F56.1Low72.4Confident154 Ų15471.2 Ų71.268%0.67538%0.382SS*.SBendtrans-120.390.9176.2-170.7-97.7000108.9L1033 I1038L1033-F1036 CarbonylContact O-C 3.21Å; F1036-I1038 VanDerWaalsContact C-N 3.31Å; F1036-I1038 HydrophobicContact CD1-CG1 3.89Å; F1036-I1038 HydrophobicContact CE1-CG1 4.3Å; F1036-I1038 PolarHBondContact O-N 2.84Å
1037S63.8Low72.2Confident43 Ų4372.2 Ų72.230%0.30138%0.384SS..  trans-69.978.1-167.3-176.60000113.8V1039 S1040 V1041S1037-V1039 PolarHBondContact O-N 3.36Å; S1037-S1040 WeakPolarHBondContact CB-OG 3.26Å; S1037-S1040 PolarHBondContact O-N 3.15Å; S1037-S1040 PolarHBondContact O-OG 3.02Å; S1037-S1040 VanDerWaalsContact O-OG 3.04Å; S1037-S1040 PolarHBondContact OG-OG 3.44Å; S1037-V1041 WeakPolarHBondContact O-CG2 3.21Å; S1037-V1041 PolarHBondContact O-N 3.44Å
1038I62.6Low71.9Confident78 Ų7872.5 Ų72.540%0.439%0.393SS..Hα-helixtrans-56.5-38174.1-61178.2000110.3L1033 F1036 S1040 V1041 T1042L1033-I1038 HydrophobicContact CD2-CD1 3.97Å; L1033-I1038 HydrophobicContact CG-CD1 3.96Å; F1036-I1038 VanDerWaalsContact C-N 3.31Å; F1036-I1038 HydrophobicContact CD1-CG1 3.89Å; F1036-I1038 HydrophobicContact CE1-CG1 4.3Å; F1036-I1038 PolarHBondContact O-N 2.84Å; I1038-S1040 PolarHBondContact O-N 2.71Å; I1038-V1041 PolarHBondContact O-N 3.25Å; I1038-V1041 VanDerWaalsContact O-N 3.16Å; I1038-T1042 WeakPolarHBondContact O-CB 3.38Å; I1038-T1042 PolarHBondContact O-N 3.22Å; I1038-T1042 PolarHBondContact O-OG1 2.65Å; I1038-T1042 VanDerWaalsContact O-OG1 3.08Å
1039V67.2Low71.5Confident47 Ų4769.7 Ų69.729%0.28538%0.384SS..Hα-helixtrans-58.2-47.8-177.4-176.60000111.9S1037 A1043 F1130S1037-V1039 PolarHBondContact O-N 3.36Å; V1039-A1043 WeakPolarHBondContact O-CB 3.4Å; V1039-A1043 PolarHBondContact O-N 2.9Å; V1039-A1043 VanDerWaalsContact O-N 3.08Å; V1039-F1130 HydrophobicContact CG1-CE1 3.82Å; V1039-F1130 HydrophobicContact CG1-CZ 4Å
1040S66Low71.3Confident35 Ų3565 Ų6525%0.24536%0.36CS..Hα-helixtrans-70.4-38.1176.553.40000112S1037 I1038 A1043 Y1044S1037-S1040 WeakPolarHBondContact CB-OG 3.26Å; S1037-S1040 PolarHBondContact O-N 3.15Å; S1037-S1040 PolarHBondContact O-OG 3.02Å; S1037-S1040 VanDerWaalsContact O-OG 3.04Å; S1037-S1040 PolarHBondContact OG-OG 3.44Å; I1038-S1040 PolarHBondContact O-N 2.71Å; S1040-A1043 PolarHBondContact O-N 3.27Å; S1040-Y1044 WeakPolarHBondContact O-CB 3.18Å; S1040-Y1044 WeakPolarHBondContact O-CD2 2.88Å; S1040-Y1044 PolarHBondContact O-N 3.03Å
1041V66.4Low71.5Confident74 Ų7467 Ų6745%0.44838%0.376SS..Hα-helixtrans-61.9-48.3177.4171.60000111.1S1037 I1038 A1043 Y1044 I1045S1037-V1041 WeakPolarHBondContact O-CG2 3.21Å; S1037-V1041 PolarHBondContact O-N 3.44Å; I1038-V1041 PolarHBondContact O-N 3.25Å; I1038-V1041 VanDerWaalsContact O-N 3.16Å; V1041-A1043 VanDerWaalsContact C-N 3.35Å; V1041-A1043 PolarHBondContact O-N 3.03Å; V1041-Y1044 PolarHBondContact O-N 3.23Å; V1041-I1045 HydrophobicContact CG1-CD1 3.72Å; V1041-I1045 HydrophobicContact CG1-CG1 4.48Å; V1041-I1045 VanDerWaalsContact O-CG1 3.28Å; V1041-I1045 WeakPolarHBondContact O-CG1 3.27Å; V1041-I1045 PolarHBondContact O-N 3.18Å
1042T68.4Low71.6Confident83 Ų8367 Ų6751%0.50938%0.38SS..Hα-helixtrans-61.2-41.5175.5-58.10000111.8I1038 I1045 A1046I1038-T1042 WeakPolarHBondContact O-CB 3.38Å; I1038-T1042 PolarHBondContact O-N 3.22Å; I1038-T1042 PolarHBondContact O-OG1 2.65Å; I1038-T1042 VanDerWaalsContact O-OG1 3.08Å; T1042-I1045 PolarHBondContact O-N 3.42Å; T1042-A1046 WeakPolarHBondContact O-CB 3.44Å; T1042-A1046 PolarHBondContact O-N 3.08Å
1043A74.3Confident71.9Confident3 Ų365.8 Ų65.83%0.02537%0.37CS..Hα-helixtrans-65.2-40.7177.400000112.6V1039 S1040 V1041 A1046 L1047 F1130 T1131V1039-A1043 WeakPolarHBondContact O-CB 3.4Å; V1039-A1043 PolarHBondContact O-N 2.9Å; V1039-A1043 VanDerWaalsContact O-N 3.08Å; S1040-A1043 PolarHBondContact O-N 3.27Å; V1041-A1043 VanDerWaalsContact C-N 3.35Å; V1041-A1043 PolarHBondContact O-N 3.03Å; A1043-A1046 PolarHBondContact O-N 2.65Å; A1043-L1047 WeakPolarHBondContact O-CB 3.46Å; A1043-L1047 PolarHBondContact O-N 3.07Å; A1043-F1130 HydrophobicContact CB-CD1 3.88Å; A1043-F1130 HydrophobicContact CB-CE1 4.29Å; A1043-T1131 HydrophobicContact CB-CG2 3.68Å
1044Y74.6Confident72.2Confident146 Ų14664.1 Ų64.157%0.57336%0.361SS*.Hα-helixtrans-70.1-37.5175.4-72-53.8000112.9S1040 V1041 L1047 A1048 T1131S1040-Y1044 WeakPolarHBondContact O-CB 3.18Å; S1040-Y1044 WeakPolarHBondContact O-CD2 2.88Å; S1040-Y1044 PolarHBondContact O-N 3.03Å; V1041-Y1044 PolarHBondContact O-N 3.23Å; Y1044-L1047 PolarHBondContact O-N 2.73Å; Y1044-A1048 VanDerWaalsContact O-CB 3.24Å; Y1044-A1048 WeakPolarHBondContact O-CB 3.32Å; Y1044-A1048 PolarHBondContact O-N 2.88Å; Y1044-T1131 HydrophobicContact CD1-CG2 4.35Å; Y1044-T1131 HydrophobicContact CE1-CG2 4.2Å
1045I74.5Confident72.8Confident92 Ų9266.2 Ų66.247%0.47238%0.377SS..Hα-helixtrans-62.2-45.7173-69.9165.7000110.2V1041 T1042 A1048 L1049V1041-I1045 HydrophobicContact CG1-CD1 3.72Å; V1041-I1045 HydrophobicContact CG1-CG1 4.48Å; V1041-I1045 VanDerWaalsContact O-CG1 3.28Å; V1041-I1045 WeakPolarHBondContact O-CG1 3.27Å; V1041-I1045 PolarHBondContact O-N 3.18Å; T1042-I1045 PolarHBondContact O-N 3.42Å; I1045-A1048 PolarHBondContact O-N 3.28Å; I1045-L1049 HydrophobicContact CG2-CD1 3.98Å; I1045-L1049 WeakPolarHBondContact O-CB 3.16Å; I1045-L1049 WeakPolarHBondContact O-CG 3.36Å; I1045-L1049 PolarHBondContact O-N 2.99Å
1046A73.9Confident73.3Confident18 Ų1863.8 Ų63.815%0.14936%0.356CS..Hα-helixtrans-60.5-46175.300000111.9T1042 A1043 A1048 L1050 F1112 M1127T1042-A1046 WeakPolarHBondContact O-CB 3.44Å; T1042-A1046 PolarHBondContact O-N 3.08Å; A1043-A1046 PolarHBondContact O-N 2.65Å; A1046-A1048 PolarHBondContact O-N 2.85Å; A1046-L1050 WeakPolarHBondContact O-CB 3.33Å; A1046-L1050 PolarHBondContact O-N 2.81Å; A1046-F1112 HydrophobicContact CB-CZ 4.11Å; A1046-F1112 WeakPolarHBondContact O-CE1 3.25Å; A1046-F1112 WeakPolarHBondContact O-CZ 3.44Å; A1046-M1127 HydrophobicContact CB-SD 3.93Å
1047L81.1Confident74.3Confident59 Ų5959 Ų5931%0.30933%0.333SS..Hα-helixtrans-67.3-36.4179.5-163.2152.2000112.1A1043 Y1044 L1050 S1051 T1131A1043-L1047 WeakPolarHBondContact O-CB 3.46Å; A1043-L1047 PolarHBondContact O-N 3.07Å; Y1044-L1047 PolarHBondContact O-N 2.73Å; L1047-L1050 PolarHBondContact O-N 3.31Å; L1047-S1051 WeakPolarHBondContact O-CB 3.48Å; L1047-S1051 PolarHBondContact O-N 3.24Å; L1047-T1131 HydrophobicContact CD1-CG2 4.4Å
1048A79.9Confident75.1Confident52 Ų5261.3 Ų61.343%0.4334%0.341SS..Hα-helixtrans-65.6-48.7175.300000112.2Y1044 I1045 A1046 L1050 S1051 V1052Y1044-A1048 VanDerWaalsContact O-CB 3.24Å; Y1044-A1048 WeakPolarHBondContact O-CB 3.32Å; Y1044-A1048 PolarHBondContact O-N 2.88Å; I1045-A1048 PolarHBondContact O-N 3.28Å; A1046-A1048 PolarHBondContact O-N 2.85Å; A1048-L1050 PolarHBondContact O-N 3.46Å; A1048-S1051 WeakPolarHBondContact O-CB 3.18Å; A1048-S1051 PolarHBondContact O-N 3.06Å; A1048-V1052 WeakPolarHBondContact O-CG2 3.47Å; A1048-V1052 PolarHBondContact O-N 3.49Å
1049L77.7Confident75.9Confident87 Ų8764.4 Ų64.446%0.45535%0.349SS..Hα-helixtrans-59.8-33.6175.3-72.9170.9000111.9I1045 T1053 F1112I1045-L1049 HydrophobicContact CG2-CD1 3.98Å; I1045-L1049 WeakPolarHBondContact O-CB 3.16Å; I1045-L1049 WeakPolarHBondContact O-CG 3.36Å; I1045-L1049 PolarHBondContact O-N 2.99Å; L1049-T1053 WeakPolarHBondContact O-CB 3.4Å; L1049-T1053 WeakPolarHBondContact O-CG2 3.06Å; L1049-T1053 PolarHBondContact O-N 3.28Å; L1049-T1053 VanDerWaalsContact O-N 3.07Å; L1049-T1053 PolarHBondContact O-OG1 2.7Å; L1049-F1112 HydrophobicContact CB-CD1 4.11Å; L1049-F1112 HydrophobicContact CB-CE1 3.54Å; L1049-F1112 HydrophobicContact CB-CZ 4.44Å
1050L77.1Confident76.1Confident2 Ų267.9 Ų67.91%0.0136%0.357CS..Hα-helixtrans-75.4-39.6179.1-168.662.1000111.3A1046 L1047 A1048 T1053 I1054 F1112 F1123 A1124A1046-L1050 WeakPolarHBondContact O-CB 3.33Å; A1046-L1050 PolarHBondContact O-N 2.81Å; L1047-L1050 PolarHBondContact O-N 3.31Å; A1048-L1050 PolarHBondContact O-N 3.46Å; L1050-T1053 WeakPolarHBondContact CA-OG1 3.1Å; L1050-T1053 PolarHBondContact O-N 3.32Å; L1050-T1053 PolarHBondContact O-OG1 2.89Å; L1050-T1053 VanDerWaalsContact O-OG1 3.06Å; L1050-I1054 HydrophobicContact CD1-CD1 4.15Å; L1050-I1054 HydrophobicContact CD1-CG1 4.46Å; L1050-I1054 HydrophobicContact CG-CD1 3.9Å; L1050-I1054 WeakPolarHBondContact O-CB 3.28Å; L1050-I1054 VanDerWaalsContact O-CG1 3.26Å; L1050-I1054 WeakPolarHBondContact O-CG1 3.35Å; L1050-I1054 PolarHBondContact O-N 3.2Å; L1050-F1112 HydrophobicContact CB-CD1 4.07Å; L1050-F1112 HydrophobicContact CB-CE1 3.65Å; L1050-F1112 HydrophobicContact CB-CZ 4.37Å; L1050-F1112 HydrophobicContact CD1-CD1 3.93Å; L1050-F1112 HydrophobicContact CD1-CE1 4.24Å; L1050-F1112 HydrophobicContact CD1-CG 4.3Å; L1050-F1123 HydrophobicContact CD1-CD1 4.25Å; L1050-F1123 HydrophobicContact CD2-CD1 3.71Å; L1050-F1123 HydrophobicContact CD2-CE1 4.26Å; L1050-A1124 VanDerWaalsContact CD2-CA 3.46Å; L1050-A1124 HydrophobicContact CD2-CB 3.59Å
1051S81.4Confident76.4Confident66 Ų6667.8 Ų67.846%0.46236%0.361SS..Hα-helixtrans-60.1-46.1172.1-176.60000111.7L1047 A1048 S1055L1047-S1051 WeakPolarHBondContact O-CB 3.48Å; L1047-S1051 PolarHBondContact O-N 3.24Å; A1048-S1051 WeakPolarHBondContact O-CB 3.18Å; A1048-S1051 PolarHBondContact O-N 3.06Å; S1051-S1055 WeakPolarHBondContact O-CB 3.26Å; S1051-S1055 PolarHBondContact O-N 3.07Å; S1051-S1055 PolarHBondContact O-OG 3.14Å
1052V81.1Confident76.9Confident100 Ų10067.8 Ų67.861%0.60636%0.362SS*.Hα-helixtrans-63.8-45.4178.4170.70000111.7A1048 S1055 F1056A1048-V1052 WeakPolarHBondContact O-CG2 3.47Å; A1048-V1052 PolarHBondContact O-N 3.49Å; V1052-S1055 PolarHBondContact O-N 2.96Å; V1052-F1056 WeakPolarHBondContact O-CB 3.36Å; V1052-F1056 PolarHBondContact O-N 2.69Å
1053T77.2Confident77.2Confident25 Ų2566 Ų6615%0.15335%0.349CS..Hα-helixtrans-68.5-43.4-179.343.40000112.8L1049 L1050 F1056 R1057 F1112L1049-T1053 WeakPolarHBondContact O-CB 3.4Å; L1049-T1053 WeakPolarHBondContact O-CG2 3.06Å; L1049-T1053 PolarHBondContact O-N 3.28Å; L1049-T1053 VanDerWaalsContact O-N 3.07Å; L1049-T1053 PolarHBondContact O-OG1 2.7Å; L1050-T1053 WeakPolarHBondContact CA-OG1 3.1Å; L1050-T1053 PolarHBondContact O-N 3.32Å; L1050-T1053 PolarHBondContact O-OG1 2.89Å; L1050-T1053 VanDerWaalsContact O-OG1 3.06Å; T1053-F1056 PolarHBondContact O-N 3.04Å; T1053-R1057 PolarHBondContact O-N 2.99Å; T1053-F1112 WeakPolarHBondContact CB-O 3.46Å; T1053-F1112 WeakPolarHBondContact CG2-O 3.22Å; T1053-F1112 PolarHBondContact OG1-O 3.11Å; T1053-F1112 VanDerWaalsContact OG1-O 3.06Å
1054I78.4Confident76.8Confident31 Ų3169 Ų6916%0.15936%0.362CS..Hα-helixtrans-61.3-47.5172.6-69.1171.8000110.4L1050 F1056 R1057 I1058 V1114 L1117L1050-I1054 HydrophobicContact CD1-CD1 4.15Å; L1050-I1054 HydrophobicContact CD1-CG1 4.46Å; L1050-I1054 HydrophobicContact CG-CD1 3.9Å; L1050-I1054 WeakPolarHBondContact O-CB 3.28Å; L1050-I1054 VanDerWaalsContact O-CG1 3.26Å; L1050-I1054 WeakPolarHBondContact O-CG1 3.35Å; L1050-I1054 PolarHBondContact O-N 3.2Å; I1054-F1056 PolarHBondContact O-N 3.29Å; I1054-R1057 PolarHBondContact O-N 3.04Å; I1054-I1058 HydrophobicContact CG2-CD1 3.71Å; I1054-I1058 HydrophobicContact CG2-CG1 4.38Å; I1054-I1058 WeakPolarHBondContact O-CG1 3.14Å; I1054-I1058 PolarHBondContact O-N 3.11Å; I1054-V1114 HydrophobicContact CG1-CG1 4.46Å; I1054-V1114 HydrophobicContact CG1-CG2 4Å; I1054-L1117 HydrophobicContact CG2-CD1 4.38Å
1055S81.3Confident76.5Confident66 Ų6665.7 Ų65.746%0.46237%0.365SS..Hα-helixtrans-61-41.9179.9-61.40000112.3S1051 V1052 I1058 Y1059S1051-S1055 WeakPolarHBondContact O-CB 3.26Å; S1051-S1055 PolarHBondContact O-N 3.07Å; S1051-S1055 PolarHBondContact O-OG 3.14Å; V1052-S1055 PolarHBondContact O-N 2.96Å; S1055-I1058 PolarHBondContact O-N 3.08Å; S1055-Y1059 VanDerWaalsContact O-CB 3.29Å; S1055-Y1059 WeakPolarHBondContact O-CB 3.29Å; S1055-Y1059 PolarHBondContact O-N 3.01Å
1056F77.2Confident76.3Confident79 Ų7967.2 Ų67.235%0.34637%0.372SS..Hα-helixtrans-66.9-39.4175.3-173.7-79.6000112.2V1052 T1053 I1054 Y1059 R1060 F1075V1052-F1056 WeakPolarHBondContact O-CB 3.36Å; V1052-F1056 PolarHBondContact O-N 2.69Å; T1053-F1056 PolarHBondContact O-N 3.04Å; I1054-F1056 PolarHBondContact O-N 3.29Å; F1056-Y1059 PolarHBondContact O-N 3.39Å; F1056-R1060 HydrophobicContact CD1-CG 3.82Å; F1056-R1060 HydrophobicContact CE1-CG 3.52Å; F1056-R1060 HydrophobicContact CZ-CG 4.07Å; F1056-R1060 WeakPolarHBondContact O-CB 3.46Å; F1056-R1060 WeakPolarHBondContact O-CG 3.32Å; F1056-R1060 PolarHBondContact O-N 2.92Å; F1056-F1075 HydrophobicContact CB-CZ 4.08Å; F1056-F1075 HydrophobicContact CD1-CD1 4.43Å; F1056-F1075 AromaticContact CD1-CE1 3.41Å; F1056-F1075 HydrophobicContact CD1-CE1 3.41Å; F1056-F1075 VanDerWaalsContact CD1-CE1 3.41Å; F1056-F1075 AromaticContact CD1-CE2 3.96Å; F1056-F1075 HydrophobicContact CD1-CE2 3.96Å; F1056-F1075 AromaticContact CD1-CZ 3.13Å; F1056-F1075 HydrophobicContact CD1-CZ 3.13Å; F1056-F1075 HydrophobicContact CE1-CD1 4.15Å; F1056-F1075 AromaticContact CE1-CE1 3.39Å; F1056-F1075 HydrophobicContact CE1-CE1 3.39Å; F1056-F1075 AromaticContact CE1-CZ 3.66Å; F1056-F1075 HydrophobicContact CE1-CZ 3.66Å; F1056-F1075 HydrophobicContact CG-CE1 4.24Å; F1056-F1075 AromaticContact CG-CZ 3.83Å; F1056-F1075 HydrophobicContact CG-CZ 3.83Å; F1056-F1075 HydrophobicContact CZ-CE1 4.24Å
1057R76.8Confident75.7Confident54 Ų5472.5 Ų72.520%0.20439%0.394CS..Hα-helixtrans-62.6-43.4174.7-112.3-119.6-168.5172.60.5111.4T1053 I1054 G1061 H1073 F1075 V1114 D1115T1053-R1057 PolarHBondContact O-N 2.99Å; I1054-R1057 PolarHBondContact O-N 3.04Å; R1057-G1061 PolarHBondContact O-N 2.99Å; R1057-H1073 PolarHBondContact NE-CE1 2.97Å; R1057-H1073 VanDerWaalsContact NE-CE1 3.34Å; R1057-H1073 PolarHBondContact NH2-CD2 2.75Å; R1057-H1073 VanDerWaalsContact NH2-CD2 3.32Å; R1057-H1073 PolarHBondContact NH2-CE1 3.27Å; R1057-H1073 PolarHBondContact NH2-NE2 2.75Å; R1057-F1075 HydrophobicContact CB-CE2 4.45Å; R1057-F1075 HydrophobicContact CG-CD2 3.99Å; R1057-F1075 HydrophobicContact CG-CE2 3.76Å; R1057-V1114 HydrophobicContact CB-CB 4.35Å; R1057-V1114 HydrophobicContact CB-CG1 4.41Å; R1057-V1114 HydrophobicContact CB-CG2 4.32Å; R1057-V1114 HydrophobicContact CG-CB 3.84Å; R1057-V1114 HydrophobicContact CG-CG1 4.27Å; R1057-V1114 HydrophobicContact CG-CG2 4.13Å; R1057-V1114 PolarHBondContact NE-O 3.46Å; R1057-V1114 PolarHBondContact NH1-O 2.94Å; R1057-V1114 PolarHBondContact NH2-O 2.76Å; R1057-D1115 PolarHBondContact NH2-O 3.27Å
1058I79.4Confident74.6Confident91 Ų9179 Ų7947%0.46742%0.42SS..Hα-helixtrans-64.3-49.4175.4-66.3168.8000110.3I1054 S1055 R1060 G1061 V1062I1054-I1058 HydrophobicContact CG2-CD1 3.71Å; I1054-I1058 HydrophobicContact CG2-CG1 4.38Å; I1054-I1058 WeakPolarHBondContact O-CG1 3.14Å; I1054-I1058 PolarHBondContact O-N 3.11Å; S1055-I1058 PolarHBondContact O-N 3.08Å; I1058-R1060 PolarHBondContact O-N 2.83Å; I1058-G1061 PolarHBondContact O-N 2.85Å; I1058-G1061 VanDerWaalsContact O-N 3.17Å; I1058-V1062 HydrophobicContact CG2-CG2 4.29Å; I1058-V1062 WeakPolarHBondContact O-CB 3.32Å; I1058-V1062 WeakPolarHBondContact O-CG2 3.3Å; I1058-V1062 PolarHBondContact O-N 3.47Å
1059Y79.6Confident73.1Confident142 Ų14279.5 Ų79.556%0.55742%0.42SS*.Hα-helixtrans-55.2-48.3177.1173.7-102000112S1055 F1056 V1062 I1063S1055-Y1059 VanDerWaalsContact O-CB 3.29Å; S1055-Y1059 WeakPolarHBondContact O-CB 3.29Å; S1055-Y1059 PolarHBondContact O-N 3.01Å; F1056-Y1059 PolarHBondContact O-N 3.39Å; Y1059-V1062 PolarHBondContact O-N 3.25Å; Y1059-I1063 HydrophobicContact CD2-CG1 4.45Å; Y1059-I1063 HydrophobicContact CE1-CG1 4.24Å; Y1059-I1063 HydrophobicContact CE2-CD1 4.33Å; Y1059-I1063 HydrophobicContact CE2-CG1 4.1Å; Y1059-I1063 VanDerWaalsContact O-CG1 3.31Å; Y1059-I1063 WeakPolarHBondContact O-CG1 3.33Å; Y1059-I1063 PolarHBondContact O-N 2.86Å
1060R71.3Confident71.7Confident120 Ų12083 Ų8345%0.45344%0.44SS..Hα-helixtrans-64.8-40.9176.3-75.8-69.5-176.4169.4-1.8112.7F1056 I1058 I1063 Q1064 P1074F1056-R1060 HydrophobicContact CD1-CG 3.82Å; F1056-R1060 HydrophobicContact CE1-CG 3.52Å; F1056-R1060 HydrophobicContact CZ-CG 4.07Å; F1056-R1060 WeakPolarHBondContact O-CB 3.46Å; F1056-R1060 WeakPolarHBondContact O-CG 3.32Å; F1056-R1060 PolarHBondContact O-N 2.92Å; I1058-R1060 PolarHBondContact O-N 2.83Å; R1060-I1063 PolarHBondContact O-N 3.44Å; R1060-Q1064 VanDerWaalsContact O-CB 3.28Å; R1060-Q1064 WeakPolarHBondContact O-CB 3.43Å; R1060-Q1064 PolarHBondContact O-N 2.82Å; R1060-P1074 HydrophobicContact CB-CB 3.84Å; R1060-P1074 HydrophobicContact CB-CG 3.75Å; R1060-P1074 HydrophobicContact CG-CB 3.92Å; R1060-P1074 HydrophobicContact CG-CG 4.3Å
1061G72.7Confident70.4Confident33 Ų3390.6 Ų90.634%0.3448%0.475SS..Hα-helixtrans-62.8-39.4175.200000113.1R1057 I1058 Q1064 A1065R1057-G1061 PolarHBondContact O-N 2.99Å; I1058-G1061 PolarHBondContact O-N 2.85Å; I1058-G1061 VanDerWaalsContact O-N 3.17Å; G1061-Q1064 PolarHBondContact O-N 3.37Å; G1061-A1065 WeakPolarHBondContact O-CB 3.38Å; G1061-A1065 PolarHBondContact O-N 3.37Å
1062V76.1Confident69.4Low75 Ų7589 Ų8946%0.45547%0.47SS..Hα-helixtrans-66.2-46.5174.5169.10000111I1058 Y1059 Q1064 A1065 I1066I1058-V1062 HydrophobicContact CG2-CG2 4.29Å; I1058-V1062 WeakPolarHBondContact O-CB 3.32Å; I1058-V1062 WeakPolarHBondContact O-CG2 3.3Å; I1058-V1062 PolarHBondContact O-N 3.47Å; Y1059-V1062 PolarHBondContact O-N 3.25Å; V1062-Q1064 VanDerWaalsContact C-N 3.31Å; V1062-Q1064 PolarHBondContact O-N 2.83Å; V1062-A1065 PolarHBondContact O-N 3.49Å; V1062-I1066 HydrophobicContact CG1-CD1 3.73Å; V1062-I1066 WeakPolarHBondContact O-CB 3.24Å; V1062-I1066 WeakPolarHBondContact O-CD1 3.24Å; V1062-I1066 VanDerWaalsContact O-CG1 3.25Å; V1062-I1066 WeakPolarHBondContact O-CG1 3.48Å; V1062-I1066 PolarHBondContact O-N 3.48Å
1063I75.4Confident68.1Low46 Ų4686.5 Ų86.524%0.23645%0.451CS..Hα-helixtrans-61.5-39.3175.5-66.3-65.8000111.3Y1059 R1060 I1066 Q1067Y1059-I1063 HydrophobicContact CD2-CG1 4.45Å; Y1059-I1063 HydrophobicContact CE1-CG1 4.24Å; Y1059-I1063 HydrophobicContact CE2-CD1 4.33Å; Y1059-I1063 HydrophobicContact CE2-CG1 4.1Å; Y1059-I1063 VanDerWaalsContact O-CG1 3.31Å; Y1059-I1063 WeakPolarHBondContact O-CG1 3.33Å; Y1059-I1063 PolarHBondContact O-N 2.86Å; R1060-I1063 PolarHBondContact O-N 3.44Å; I1063-I1066 PolarHBondContact O-N 2.94Å; I1063-Q1067 HydrophobicContact CG2-CG 4.37Å; I1063-Q1067 WeakPolarHBondContact O-CB 3.41Å; I1063-Q1067 VanDerWaalsContact O-CG 3.32Å; I1063-Q1067 WeakPolarHBondContact O-CG 3.39Å; I1063-Q1067 PolarHBondContact O-N 3.39Å
1064Q67.1Low67.1Low66 Ų6687.5 Ų87.531%0.30846%0.458SS..Hα-helixtrans-66.3-42.1176.4-168.2166.236.300112R1060 G1061 V1062 I1066 Q1067 K1068 E1071 G1072R1060-Q1064 VanDerWaalsContact O-CB 3.28Å; R1060-Q1064 WeakPolarHBondContact O-CB 3.43Å; R1060-Q1064 PolarHBondContact O-N 2.82Å; G1061-Q1064 PolarHBondContact O-N 3.37Å; V1062-Q1064 VanDerWaalsContact C-N 3.31Å; V1062-Q1064 PolarHBondContact O-N 2.83Å; Q1064-I1066 VanDerWaalsContact C-N 3.33Å; Q1064-I1066 PolarHBondContact O-N 2.98Å; Q1064-Q1067 PolarHBondContact O-N 2.85Å; Q1064-K1068 PolarHBondContact O-N 2.84Å; Q1064-E1071 PolarHBondContact NE2-O 3.38Å; Q1064-G1072 PolarHBondContact NE2-O 2.91Å
1065A67.5Low65.9Low76 Ų7687.1 Ų87.163%0.62846%0.455SS*.Hα-helixtrans-63.7-36.1174.100000112.9G1061 V1062G1061-A1065 WeakPolarHBondContact O-CB 3.38Å; G1061-A1065 PolarHBondContact O-N 3.37Å; V1062-A1065 PolarHBondContact O-N 3.49Å
1066I70.3Confident64.6Low123 Ų12391.6 Ų91.663%0.63146%0.462SS*.Hα-helixtrans-71.3-39.8175.4-69.3165.3000111.3V1062 I1063 Q1064V1062-I1066 HydrophobicContact CG1-CD1 3.73Å; V1062-I1066 WeakPolarHBondContact O-CB 3.24Å; V1062-I1066 WeakPolarHBondContact O-CD1 3.24Å; V1062-I1066 VanDerWaalsContact O-CG1 3.25Å; V1062-I1066 WeakPolarHBondContact O-CG1 3.48Å; V1062-I1066 PolarHBondContact O-N 3.48Å; I1063-I1066 PolarHBondContact O-N 2.94Å; Q1064-I1066 VanDerWaalsContact C-N 3.33Å; Q1064-I1066 PolarHBondContact O-N 2.98Å
1067Q61.9Low63.5Low130 Ų13091.3 Ų91.361%0.60748%0.475SS*.Hα-helixtrans-87.8-13.7-174.1-69-178.8-4.200114.6I1063 Q1064 S1069I1063-Q1067 HydrophobicContact CG2-CG 4.37Å; I1063-Q1067 WeakPolarHBondContact O-CB 3.41Å; I1063-Q1067 VanDerWaalsContact O-CG 3.32Å; I1063-Q1067 WeakPolarHBondContact O-CG 3.39Å; I1063-Q1067 PolarHBondContact O-N 3.39Å; Q1064-Q1067 PolarHBondContact O-N 2.85Å; Q1067-S1069 PolarHBondContact O-N 3.42Å; Q1067-S1069 VanDerWaalsContact O-N 3.09Å
1068K58.2Low62.2Low194 Ų19496.7 Ų96.784%0.84350%0.496SS*.THydrogen-bonded Turntrans54.622.5-179.9-62.8-172.6175.8-177.50114.9Q1064Q1064-K1068 PolarHBondContact O-N 2.84Å
1069S48.3Very low60.9Low63 Ų6394.7 Ų94.744%0.44149%0.486SS..  trans-89.1112.7178.734.70000110.9Q1067 E1071Q1067-S1069 PolarHBondContact O-N 3.42Å; Q1067-S1069 VanDerWaalsContact O-N 3.09Å; S1069-E1071 PolarHBondContact O-N 3.13Å
1070D48.6Very low59.6Low162 Ų16294.4 Ų94.487%0.86649%0.489SS*.  trans-78.799.1172.7-175.122.3000110.2
1071E48.9Very low58.2Low160 Ų16092 Ų9275%0.74849%0.491SS*.  trans-163.2103.2155.1-173.256.4-102.700110.8Q1064 S1069Q1064-E1071 PolarHBondContact NE2-O 3.38Å; S1069-E1071 PolarHBondContact O-N 3.13Å
1072G61.2Low56.8Low34 Ų3498.4 Ų98.435%0.35151%0.512SS..  trans78.4157.1149.200000120.2Q1064Q1064-G1072 PolarHBondContact NE2-O 2.91Å
1073H53.7Low55.2Low46 Ų46100.5 Ų100.521%0.21353%0.525CS..  trans-70.9126.1168.7166.72.8000109.8R1057 F1075 R1076R1057-H1073 PolarHBondContact NE-CE1 2.97Å; R1057-H1073 VanDerWaalsContact NE-CE1 3.34Å; R1057-H1073 PolarHBondContact NH2-CD2 2.75Å; R1057-H1073 VanDerWaalsContact NH2-CD2 3.32Å; R1057-H1073 PolarHBondContact NH2-CE1 3.27Å; R1057-H1073 PolarHBondContact NH2-NE2 2.75Å; H1073-F1075 AromaticContact CE1-CD2 3.97Å; H1073-F1075 PolarHBondContact ND1-N 3.02Å; H1073-F1075 PolarHBondContact O-N 3.4Å; H1073-R1076 PolarHBondContact O-N 3.34Å; H1073-R1076 VanDerWaalsContact O-N 3.17Å
1074P54.9Low53.5Low47 Ų47102 Ų10231%0.30554%0.544SS..THydrogen-bonded Turntrans-693.5-167.626.5-37.8000116.8R1060R1060-P1074 HydrophobicContact CB-CB 3.84Å; R1060-P1074 HydrophobicContact CB-CG 3.75Å; R1060-P1074 HydrophobicContact CG-CB 3.92Å; R1060-P1074 HydrophobicContact CG-CG 4.3Å
1075F52.8Low52.1Low23 Ų23102.2 Ų102.210%0.10155%0.547CS..THydrogen-bonded Turntrans-124.911.3176.6-64.8-57.2000113.8F1056 R1057 H1073 A1077 Y1078 L1079 L1113F1056-F1075 HydrophobicContact CB-CZ 4.08Å; F1056-F1075 HydrophobicContact CD1-CD1 4.43Å; F1056-F1075 AromaticContact CD1-CE1 3.41Å; F1056-F1075 HydrophobicContact CD1-CE1 3.41Å; F1056-F1075 VanDerWaalsContact CD1-CE1 3.41Å; F1056-F1075 AromaticContact CD1-CE2 3.96Å; F1056-F1075 HydrophobicContact CD1-CE2 3.96Å; F1056-F1075 AromaticContact CD1-CZ 3.13Å; F1056-F1075 HydrophobicContact CD1-CZ 3.13Å; F1056-F1075 HydrophobicContact CE1-CD1 4.15Å; F1056-F1075 AromaticContact CE1-CE1 3.39Å; F1056-F1075 HydrophobicContact CE1-CE1 3.39Å; F1056-F1075 AromaticContact CE1-CZ 3.66Å; F1056-F1075 HydrophobicContact CE1-CZ 3.66Å; F1056-F1075 HydrophobicContact CG-CE1 4.24Å; F1056-F1075 AromaticContact CG-CZ 3.83Å; F1056-F1075 HydrophobicContact CG-CZ 3.83Å; F1056-F1075 HydrophobicContact CZ-CE1 4.24Å; R1057-F1075 HydrophobicContact CB-CE2 4.45Å; R1057-F1075 HydrophobicContact CG-CD2 3.99Å; R1057-F1075 HydrophobicContact CG-CE2 3.76Å; H1073-F1075 AromaticContact CE1-CD2 3.97Å; H1073-F1075 PolarHBondContact ND1-N 3.02Å; H1073-F1075 PolarHBondContact O-N 3.4Å; F1075-A1077 PolarHBondContact O-N 2.92Å; F1075-Y1078 HydrophobicContact CD1-CD2 4.31Å; F1075-Y1078 CarbonylContact O-C 3.36Å; F1075-Y1078 VanDerWaalsContact O-CA 3.31Å; F1075-Y1078 WeakPolarHBondContact O-CA 3.34Å; F1075-Y1078 WeakPolarHBondContact O-CB 3.48Å; F1075-Y1078 PolarHBondContact O-N 2.74Å; F1075-L1079 PolarHBondContact O-N 3.07Å; F1075-L1113 HydrophobicContact CB-CD2 4.01Å; F1075-L1113 HydrophobicContact CB-CG 4.36Å; F1075-L1113 HydrophobicContact CD2-CG 4.43Å; F1075-L1113 HydrophobicContact CG-CG 4.45Å
1076R54.1Low50.8Low159 Ų159101.9 Ų101.960%0.654%0.539SS*.Hα-helixtrans-55.5-45.4-174.1-148.8177.3-167.2167.25.6113.4H1073 Y1078 L1079 E1080H1073-R1076 PolarHBondContact O-N 3.34Å; H1073-R1076 VanDerWaalsContact O-N 3.17Å; R1076-Y1078 VanDerWaalsContact C-N 3.27Å; R1076-Y1078 PolarHBondContact O-N 3.37Å; R1076-L1079 WeakPolarHBondContact O-CB 3.36Å; R1076-L1079 PolarHBondContact O-N 3.32Å; R1076-L1079 VanDerWaalsContact O-N 3.12Å; R1076-E1080 PolarHBondContact O-N 3.28Å; R1076-E1080 VanDerWaalsContact O-N 3.14Å
1077A54Low49.6Very low74 Ų74102.8 Ų102.861%0.61254%0.541SS*.Hα-helixtrans-65.4-25.3173.200000114.1F1075 S1081F1075-A1077 PolarHBondContact O-N 2.92Å; A1077-S1081 PolarHBondContact O-N 2.9Å
1078Y51.4Low48.8Very low167 Ų167104.4 Ų104.466%0.65555%0.549SS*.Hα-helixtrans-87.6-12.4174.2-71.1-78.2000113.3F1075 R1076 R1109 L1113F1075-Y1078 HydrophobicContact CD1-CD2 4.31Å; F1075-Y1078 CarbonylContact O-C 3.36Å; F1075-Y1078 VanDerWaalsContact O-CA 3.31Å; F1075-Y1078 WeakPolarHBondContact O-CA 3.34Å; F1075-Y1078 WeakPolarHBondContact O-CB 3.48Å; F1075-Y1078 PolarHBondContact O-N 2.74Å; R1076-Y1078 VanDerWaalsContact C-N 3.27Å; R1076-Y1078 PolarHBondContact O-N 3.37Å; Y1078-R1109 PolarHBondContact O-NH2 2.88Å; Y1078-L1113 WeakPolarHBondContact O-CD2 3.26Å
1079L51.1Low48.3Very low48 Ų48102.2 Ų102.225%0.25155%0.546SS..Hα-helixtrans-77.9-37.2163.8-74.3167.1000110.9F1075 R1076 R1109 L1113F1075-L1079 PolarHBondContact O-N 3.07Å; R1076-L1079 WeakPolarHBondContact O-CB 3.36Å; R1076-L1079 PolarHBondContact O-N 3.32Å; R1076-L1079 VanDerWaalsContact O-N 3.12Å; L1079-R1109 PolarHBondContact O-NH2 3Å; L1079-R1109 VanDerWaalsContact O-NH2 3.11Å; L1079-L1113 HydrophobicContact CD2-CB 3.79Å; L1079-L1113 HydrophobicContact CD2-CD2 3.65Å; L1079-L1113 HydrophobicContact CD2-CG 4.35Å; L1079-L1113 HydrophobicContact CG-CB 4.45Å; L1079-L1113 HydrophobicContact CG-CD2 3.78Å
1080E52.3Low48.3Very low136 Ų136100.7 Ų100.764%0.63653%0.534SS*.Hα-helixtrans-84.9-13.6-173-70.6168.6-174.100114.5R1076 E1082R1076-E1080 PolarHBondContact O-N 3.28Å; R1076-E1080 VanDerWaalsContact O-N 3.14Å; E1080-E1082 PolarHBondContact O-N 3.23Å
1081S41.5Very low48.3Very low69 Ų6999.4 Ų99.448%0.48352%0.522SS..  trans-71.7110.1175.4-172.90000111.6A1077 R1109A1077-S1081 PolarHBondContact O-N 2.9Å; S1081-R1109 PolarHBondContact O-NH1 3.46Å; S1081-R1109 PolarHBondContact O-NH2 3.23Å
1082E43.8Very low48.3Very low168 Ų168100.5 Ų100.579%0.78552%0.524SS*.  trans-87.5116.5-179.3-65.4-169.5135.900112.2E1080E1080-E1082 PolarHBondContact O-N 3.23Å
1083V41.3Very low47.8Very low119 Ų119109.3 Ų109.372%0.72155%0.549SS*.  trans-108.465.4158.5-171.80000108.2I1085V1083-I1085 PolarHBondContact O-N 2.83Å
1084A40.8Very low47.7Very low77 Ų77108.5 Ų108.564%0.63655%0.548SS*.  trans-7499.5162.400000108S1086A1084-S1086 PolarHBondContact O-N 3.42Å
1085I38.6Very low47.5Very low72 Ų72112.7 Ų112.737%0.36957%0.568SS.*  trans-51.3127.4168.9-58.9169000108.2L286 V287 V1083 E1087L286-I1085 HydrophobicContact CB-CD1 4.35Å; L286-I1085 HydrophobicContact CD1-CB 3.4Å; L286-I1085 HydrophobicContact CD1-CD1 4.36Å; L286-I1085 HydrophobicContact CD1-CG1 3.92Å; L286-I1085 HydrophobicContact CD2-CB 3.96Å; L286-I1085 HydrophobicContact CD2-CD1 3.96Å; L286-I1085 HydrophobicContact CD2-CG1 4.36Å; L286-I1085 HydrophobicContact CG-CB 4.17Å; L286-I1085 HydrophobicContact CG-CD1 4.38Å; L286-I1085 HydrophobicContact CG-CG1 4.47Å; V287-I1085 HydrophobicContact CB-CD1 4.14Å; V287-I1085 HydrophobicContact CG1-CD1 3.64Å; V1083-I1085 PolarHBondContact O-N 2.83Å; I1085-E1087 PolarHBondContact O-N 3.4Å
1086S39.4Very low47.4Very low68 Ų68115.5 Ų115.548%0.47659%0.591SS.*  trans-51.3130.9-161.8-1770000114.2A1084 E1088 L1089A1084-S1086 PolarHBondContact O-N 3.42Å; S1086-E1088 PolarHBondContact O-N 3.17Å; S1086-E1088 VanDerWaalsContact O-N 3.08Å; S1086-E1088 PolarHBondContact OG-N 2.84Å; S1086-L1089 PolarHBondContact O-N 2.74Å
1087E45.7Very low47.3Very low142 Ų142111.7 Ų111.766%0.66459%0.593SS**Hα-helixtrans-53-27.7175.6-164.2175.9161.900112.6I1085 L1089 V1090 Q1091I1085-E1087 PolarHBondContact O-N 3.4Å; E1087-L1089 VanDerWaalsContact C-N 3.27Å; E1087-L1089 PolarHBondContact O-N 3.21Å; E1087-V1090 WeakPolarHBondContact O-CB 3.24Å; E1087-V1090 PolarHBondContact O-N 3.34Å; E1087-Q1091 PolarHBondContact O-N 2.92Å
1088E44.3Very low47.4Very low164 Ų164111 Ų11177%0.76658%0.579SS**Hα-helixtrans-61.6-27.6-179.7-62-169153.700114.2S1086S1086-E1088 PolarHBondContact O-N 3.17Å; S1086-E1088 VanDerWaalsContact O-N 3.08Å; S1086-E1088 PolarHBondContact OG-N 2.84Å
1089L47.7Very low47.7Very low149 Ų149103.1 Ų103.178%0.7855%0.548SS*.Hα-helixtrans-85.4-28.3174.2-142.978.9000112.2S1086 E1087S1086-L1089 PolarHBondContact O-N 2.74Å; E1087-L1089 VanDerWaalsContact C-N 3.27Å; E1087-L1089 PolarHBondContact O-N 3.21Å
1090V49.3Very low47.8Very low31 Ų31105.5 Ų105.519%0.18856%0.558CS.*Hα-helixtrans-69.6-45.5-179.5-177.50000111E1087 K1092 Y1093 S1094 L1098E1087-V1090 WeakPolarHBondContact O-CB 3.24Å; E1087-V1090 PolarHBondContact O-N 3.34Å; V1090-K1092 PolarHBondContact O-N 2.79Å; V1090-Y1093 PolarHBondContact O-N 3.22Å; V1090-S1094 PolarHBondContact O-N 3.48Å; V1090-L1098 HydrophobicContact CB-CD2 4.14Å; V1090-L1098 HydrophobicContact CG1-CB 4.31Å; V1090-L1098 HydrophobicContact CG1-CD2 3.62Å; V1090-L1098 HydrophobicContact CG2-CD2 3.54Å
1091Q47.3Very low48.1Very low135 Ų135101.2 Ų101.263%0.63154%0.541SS*.THydrogen-bonded Turntrans-62.1-16.8-165.5-154173.548.800114.6E1087E1087-Q1091 PolarHBondContact O-N 2.92Å
1092K50.3Low49.2Very low182 Ų182100.1 Ų100.179%0.79153%0.53SS*.THydrogen-bonded Turntrans-90.4-17.7175.6-89.2-177.9176.3170.90115.8V1090V1090-K1092 PolarHBondContact O-N 2.79Å
1093Y50.4Low49.8Very low219 Ų21994.3 Ų94.386%0.85951%0.507SS*.THydrogen-bonded Turntrans-139-3.8-172.5-82.3-72.5000116.2V1090V1090-Y1093 PolarHBondContact O-N 3.22Å
1094S50.1Low50.6Low29 Ų2991.8 Ų91.820%0.20349%0.492CS..  trans-153.6135172.8-111.40000116V1090 L1098V1090-S1094 PolarHBondContact O-N 3.48Å; S1094-L1098 PolarHBondContact OG-N 3.11Å
1095N51.6Low51.8Low136 Ų13690.4 Ų90.473%0.72747%0.473SS*.SBendtrans-143.234.9164.9-78.4-85.7000109.6
1096S50.9Low53Low82 Ų8293.5 Ų93.557%0.57348%0.484SS*.SBendtrans-167.3-35176.4-145.50000115G1099S1096-G1099 CarbonylContact O-C 3.58Å; S1096-G1099 WeakPolarHBondContact O-CA 3.37Å; S1096-G1099 PolarHBondContact O-N 2.67Å; S1096-G1099 VanDerWaalsContact O-N 3.14Å
1097A50.7Low54Low79 Ų7994.7 Ų94.765%0.65348%0.482SS*.G310 helixtrans-89.4-50.4174.800000111.2G1099A1097-G1099 PolarHBondContact O-N 2.9Å
1098L56.8Low54.8Low60 Ų6090.4 Ų90.431%0.31446%0.464SS..G310 helixtrans-71.243.9144.4-124.379.5000109.9T284 P285 L286 V1090 S1094T284-L1098 VanDerWaalsContact CB-O 3.27Å; T284-L1098 WeakPolarHBondContact CB-O 3.42Å; T284-L1098 VanDerWaalsContact CG2-CA 3.4Å; T284-L1098 HydrophobicContact CG2-CB 4.25Å; T284-L1098 HydrophobicContact CG2-CG 4.18Å; T284-L1098 VanDerWaalsContact CG2-O 3.26Å; T284-L1098 WeakPolarHBondContact CG2-O 2.83Å; T284-L1098 PolarHBondContact OG1-O 3.08Å; P285-L1098 HydrophobicContact CB-CD1 4.49Å; P285-L1098 HydrophobicContact CB-CD2 3.89Å; P285-L1098 HydrophobicContact CB-CG 3.72Å; L286-L1098 HydrophobicContact CD2-CD2 4.35Å; V1090-L1098 HydrophobicContact CB-CD2 4.14Å; V1090-L1098 HydrophobicContact CG1-CB 4.31Å; V1090-L1098 HydrophobicContact CG1-CD2 3.62Å; V1090-L1098 HydrophobicContact CG2-CD2 3.54Å; S1094-L1098 PolarHBondContact OG-N 3.11Å
1099G58.2Low55.9Low1 Ų186.7 Ų86.71%0.0144%0.443CS..G310 helixtrans-130.312.217500000118.3E283 T284 S1096 A1097E283-G1099 WeakPolarHBondContact CA-O 3.36Å; E283-G1099 PolarHBondContact N-O 3.32Å; T284-G1099 VanDerWaalsContact OG1-C 3.28Å; T284-G1099 WeakPolarHBondContact OG1-CA 3.06Å; T284-G1099 PolarHBondContact OG1-N 3.44Å; T284-G1099 VanDerWaalsContact OG1-N 3.15Å; S1096-G1099 CarbonylContact O-C 3.58Å; S1096-G1099 WeakPolarHBondContact O-CA 3.37Å; S1096-G1099 PolarHBondContact O-N 2.67Å; S1096-G1099 VanDerWaalsContact O-N 3.14Å; A1097-G1099 PolarHBondContact O-N 2.9Å
1100H52.6Low56.7Low98 Ų9884.9 Ų84.945%0.45443%0.425SS..SBendtrans-146.913.8175.8-78.696.2000117.5A282 E283 T1104A282-H1100 PolarHBondContact N-NE2 2.99Å; E283-H1100 PolarHBondContact N-CD2 2.88Å; E283-H1100 CarbonylContact O-C 3.09Å; E283-H1100 WeakPolarHBondContact O-CA 3.34Å; H1100-T1104 PolarHBondContact O-OG1 2.76Å
1101V59.6Low57.4Low45 Ų4585 Ų8527%0.27343%0.425SS..Hα-helixtrans-118.51.8-160-153.80000119.5E283 T284 P285 T1104 I1105E283-V1101 PolarHBondContact O-N 3.45Å; E283-V1101 VanDerWaalsContact O-N 3.16Å; T284-V1101 VanDerWaalsContact CA-N 3.29Å; T284-V1101 HydrophobicContact CG2-CB 3.7Å; T284-V1101 HydrophobicContact CG2-CG2 3.8Å; P285-V1101 CarbonylContact C-O 3.31Å; P285-V1101 CarbonylContact O-C 3.59Å; P285-V1101 VanDerWaalsContact O-C 3.25Å; V1101-T1104 VanDerWaalsContact C-N 3.27Å; V1101-T1104 CarbonylContact O-C 3.58Å; V1101-T1104 PolarHBondContact O-N 3.34Å; V1101-I1105 HydrophobicContact CG1-CD1 4Å; V1101-I1105 HydrophobicContact CG1-CG1 4.14Å; V1101-I1105 PolarHBondContact O-N 2.87Å
1102N63.4Low57.9Low47 Ų4780 Ų8025%0.25140%0.401SS..Hα-helixtrans-122.724.3155.8-95.5-21.9000108.5E283 T284 P285 L286 I1105 K1106E283-N1102 PolarHBondContact O-N 2.92Å; T284-N1102 WeakPolarHBondContact O-CB 3.29Å; P285-N1102 VanDerWaalsContact N-CB 3.25Å; P285-N1102 WeakPolarHBondContact O-CB 3.47Å; P285-N1102 PolarHBondContact O-N 3.33Å; P285-N1102 PolarHBondContact O-ND2 2.8Å; P285-N1102 PolarHBondContact O-OD1 2.94Å; L286-N1102 PolarHBondContact O-ND2 3.04Å; L286-N1102 PolarHBondContact O-OD1 3.09Å; N1102-I1105 WeakPolarHBondContact OD1-CA 3.16Å; N1102-I1105 VanDerWaalsContact OD1-CB 3.31Å; N1102-I1105 WeakPolarHBondContact OD1-CB 3.13Å; N1102-K1106 HydrophobicContact CB-CB 3.6Å; N1102-K1106 HydrophobicContact CB-CD 4.29Å; N1102-K1106 WeakPolarHBondContact O-CB 3.2Å; N1102-K1106 WeakPolarHBondContact O-CD 3.31Å; N1102-K1106 WeakPolarHBondContact OD1-CA 3.12Å; N1102-K1106 WeakPolarHBondContact OD1-CB 3.1Å; N1102-K1106 PolarHBondContact OD1-N 3.3Å
1103C57.7Low58.3Low45 Ų4572.7 Ų72.730%0.30437%0.371SS..Hα-helix-57.3-86.3102.9-69.20000109.4A282 E283 I1105 K1106 E1107A282-C1103 PolarHBondContact O-SG 2.87Å; E283-C1103 PolarHBondContact O-N 2.93Å; C1103-I1105 PolarHBondContact O-N 3.45Å; C1103-K1106 PolarHBondContact O-N 2.83Å; C1103-E1107 VanDerWaalsContact C-OE2 3.27Å; C1103-E1107 WeakPolarHBondContact CB-OE2 3.15Å; C1103-E1107 WeakPolarHBondContact O-CB 3.27Å; C1103-E1107 VanDerWaalsContact O-CG 3.31Å; C1103-E1107 WeakPolarHBondContact O-CG 3.33Å; C1103-E1107 PolarHBondContact O-N 3.36Å
1104T57.6Low58.7Low67 Ų6762.3 Ų62.341%0.41133%0.33SS..Hα-helixtrans-45.1-50.5-162.1-37.60000116.7H1100 V1101 L1108H1100-T1104 PolarHBondContact O-OG1 2.76Å; V1101-T1104 VanDerWaalsContact C-N 3.27Å; V1101-T1104 CarbonylContact O-C 3.58Å; V1101-T1104 PolarHBondContact O-N 3.34Å; T1104-L1108 HydrophobicContact CG2-CD1 4.13Å; T1104-L1108 WeakPolarHBondContact O-CB 3.05Å; T1104-L1108 WeakPolarHBondContact O-CD1 3.02Å; T1104-L1108 WeakPolarHBondContact O-CG 2.96Å; T1104-L1108 PolarHBondContact O-N 2.92Å
1105I65.7Low59Low48 Ų4864.5 Ų64.525%0.24634%0.339CS..Hα-helixtrans-88.2-16.4-174.6-56.7168.1000113.1L286 V287 V1101 N1102 C1103 L1108 R1109L286-I1105 VanDerWaalsContact C-CD1 3.41Å; L286-I1105 VanDerWaalsContact O-CB 3.28Å; L286-I1105 WeakPolarHBondContact O-CB 3.21Å; L286-I1105 WeakPolarHBondContact O-CG2 3.16Å; V287-I1105 HydrophobicContact CG2-CD1 4.19Å; V1101-I1105 HydrophobicContact CG1-CD1 4Å; V1101-I1105 HydrophobicContact CG1-CG1 4.14Å; V1101-I1105 PolarHBondContact O-N 2.87Å; N1102-I1105 WeakPolarHBondContact OD1-CA 3.16Å; N1102-I1105 VanDerWaalsContact OD1-CB 3.31Å; N1102-I1105 WeakPolarHBondContact OD1-CB 3.13Å; C1103-I1105 PolarHBondContact O-N 3.45Å; I1105-L1108 HydrophobicContact CB-CD1 4.39Å; I1105-L1108 HydrophobicContact CG1-CD1 3.89Å; I1105-R1109 WeakPolarHBondContact O-CB 3.34Å; I1105-R1109 PolarHBondContact O-N 3.23Å
1106K64.6Low59.3Low137 Ų13761.8 Ų61.860%0.59633%0.325SS*.Hα-helixtrans-86.4-33.9174.2-167.9173.2-177.7173.10108.8N1102 C1103 R1110N1102-K1106 HydrophobicContact CB-CB 3.6Å; N1102-K1106 HydrophobicContact CB-CD 4.29Å; N1102-K1106 WeakPolarHBondContact O-CB 3.2Å; N1102-K1106 WeakPolarHBondContact O-CD 3.31Å; N1102-K1106 WeakPolarHBondContact OD1-CA 3.12Å; N1102-K1106 WeakPolarHBondContact OD1-CB 3.1Å; N1102-K1106 PolarHBondContact OD1-N 3.3Å; C1103-K1106 PolarHBondContact O-N 2.83Å; K1106-R1110 VanDerWaalsContact O-CB 3.27Å; K1106-R1110 WeakPolarHBondContact O-CB 3.45Å; K1106-R1110 PolarHBondContact O-N 3.4Å
1107E59.9Low59.9Low92 Ų9261.8 Ų61.843%0.4332%0.318SS..Hα-helixtrans-66.1-48.3164-67.2178.6136.900110.5C1103 R1109 R1110 L1111C1103-E1107 VanDerWaalsContact C-OE2 3.27Å; C1103-E1107 WeakPolarHBondContact CB-OE2 3.15Å; C1103-E1107 WeakPolarHBondContact O-CB 3.27Å; C1103-E1107 VanDerWaalsContact O-CG 3.31Å; C1103-E1107 WeakPolarHBondContact O-CG 3.33Å; C1103-E1107 PolarHBondContact O-N 3.36Å; E1107-R1109 PolarHBondContact O-N 3.12Å; E1107-R1110 WeakPolarHBondContact O-CB 3.28Å; E1107-R1110 PolarHBondContact O-N 2.93Å; E1107-R1110 VanDerWaalsContact O-N 3.12Å; E1107-L1111 WeakPolarHBondContact O-CB 3.49Å; E1107-L1111 VanDerWaalsContact O-CD1 3.3Å; E1107-L1111 WeakPolarHBondContact O-CD1 3.33Å; E1107-L1111 PolarHBondContact O-N 2.81Å
1108L61.4Low60.6Low53 Ų5362 Ų6228%0.27731%0.311SS..Hα-helixtrans-54.9-52.2170.3-71.8155.2000109.2T1104 I1105 R1110 L1111 F1112 F1123T1104-L1108 HydrophobicContact CG2-CD1 4.13Å; T1104-L1108 WeakPolarHBondContact O-CB 3.05Å; T1104-L1108 WeakPolarHBondContact O-CD1 3.02Å; T1104-L1108 WeakPolarHBondContact O-CG 2.96Å; T1104-L1108 PolarHBondContact O-N 2.92Å; I1105-L1108 HydrophobicContact CB-CD1 4.39Å; I1105-L1108 HydrophobicContact CG1-CD1 3.89Å; L1108-R1110 VanDerWaalsContact C-N 3.28Å; L1108-R1110 PolarHBondContact O-N 2.8Å; L1108-L1111 CarbonylContact O-C 3.56Å; L1108-L1111 WeakPolarHBondContact O-CA 3.03Å; L1108-L1111 PolarHBondContact O-N 2.84Å; L1108-F1112 HydrophobicContact CB-CD2 4.13Å; L1108-F1112 HydrophobicContact CB-CE2 4.39Å; L1108-F1112 HydrophobicContact CD2-CD2 4.33Å; L1108-F1112 HydrophobicContact CD2-CE2 3.85Å; L1108-F1112 VanDerWaalsContact O-CB 3.31Å; L1108-F1112 WeakPolarHBondContact O-CB 2.91Å; L1108-F1112 VanDerWaalsContact O-CD2 3.25Å; L1108-F1112 WeakPolarHBondContact O-CD2 3.49Å; L1108-F1112 PolarHBondContact O-N 3.31Å; L1108-F1123 HydrophobicContact CD2-CE1 4.04Å; L1108-F1123 HydrophobicContact CD2-CE2 4Å; L1108-F1123 HydrophobicContact CD2-CZ 3.35Å
1109R67.8Low61.1Low85 Ų8561.4 Ų61.432%0.32131%0.308SS..Hα-helixtrans-53.7-41.3176.5-174.4-179.5-176.6171.45.8112.8Y1078 L1079 S1081 I1105 E1107 F1112 L1113Y1078-R1109 PolarHBondContact O-NH2 2.88Å; L1079-R1109 PolarHBondContact O-NH2 3Å; L1079-R1109 VanDerWaalsContact O-NH2 3.11Å; S1081-R1109 PolarHBondContact O-NH1 3.46Å; S1081-R1109 PolarHBondContact O-NH2 3.23Å; I1105-R1109 WeakPolarHBondContact O-CB 3.34Å; I1105-R1109 PolarHBondContact O-N 3.23Å; E1107-R1109 PolarHBondContact O-N 3.12Å; R1109-F1112 PolarHBondContact O-N 3.09Å; R1109-L1113 HydrophobicContact CG-CD1 4.4Å; R1109-L1113 WeakPolarHBondContact O-CB 3.3Å; R1109-L1113 PolarHBondContact O-N 3.47Å
1110R65.9Low61.7Low111 Ų11161.4 Ų61.442%0.41931%0.308SS..Hα-helixtrans-67.3-41.1175.8-168.5175.174.196.52.2112.2K1106 E1107 L1108 F1112 D1115K1106-R1110 VanDerWaalsContact O-CB 3.27Å; K1106-R1110 WeakPolarHBondContact O-CB 3.45Å; K1106-R1110 PolarHBondContact O-N 3.4Å; E1107-R1110 WeakPolarHBondContact O-CB 3.28Å; E1107-R1110 PolarHBondContact O-N 2.93Å; E1107-R1110 VanDerWaalsContact O-N 3.12Å; L1108-R1110 VanDerWaalsContact C-N 3.28Å; L1108-R1110 PolarHBondContact O-N 2.8Å; R1110-F1112 VanDerWaalsContact C-N 3.35Å; R1110-D1115 HydrophobicContact CG-CB 3.88Å; R1110-D1115 PolarHBondContact O-N 3.44Å
1111L63.1Low62.9Low35 Ų3561.9 Ų61.918%0.18331%0.313CS..Hα-helixtrans-76.2-19.2177.3-85.752.9000112.8E1107 L1108 S1120 F1123E1107-L1111 WeakPolarHBondContact O-CB 3.49Å; E1107-L1111 VanDerWaalsContact O-CD1 3.3Å; E1107-L1111 WeakPolarHBondContact O-CD1 3.33Å; E1107-L1111 PolarHBondContact O-N 2.81Å; L1108-L1111 CarbonylContact O-C 3.56Å; L1108-L1111 WeakPolarHBondContact O-CA 3.03Å; L1108-L1111 PolarHBondContact O-N 2.84Å; L1111-S1120 WeakPolarHBondContact O-CB 3.37Å; L1111-S1120 PolarHBondContact O-OG 3.2Å; L1111-F1123 HydrophobicContact CB-CB 4.29Å; L1111-F1123 HydrophobicContact CB-CD1 4.23Å; L1111-F1123 HydrophobicContact CB-CG 4.14Å; L1111-F1123 HydrophobicContact CD2-CB 4Å; L1111-F1123 HydrophobicContact CD2-CD2 3.72Å; L1111-F1123 HydrophobicContact CD2-CE2 4.43Å; L1111-F1123 HydrophobicContact CD2-CG 3.87Å; L1111-F1123 HydrophobicContact CG-CB 4.24Å; L1111-F1123 HydrophobicContact CG-CG 4.38Å
1112F57.3Low63.9Low30 Ų3065.1 Ų65.113%0.13232%0.324CS..Hα-helixtrans-93.3-38.2175-90.2-85.5000112.8A1046 L1049 L1050 T1053 L1108 R1109 R1110 V1114 F1123A1046-F1112 HydrophobicContact CB-CZ 4.11Å; A1046-F1112 WeakPolarHBondContact O-CE1 3.25Å; A1046-F1112 WeakPolarHBondContact O-CZ 3.44Å; L1049-F1112 HydrophobicContact CB-CD1 4.11Å; L1049-F1112 HydrophobicContact CB-CE1 3.54Å; L1049-F1112 HydrophobicContact CB-CZ 4.44Å; L1050-F1112 HydrophobicContact CB-CD1 4.07Å; L1050-F1112 HydrophobicContact CB-CE1 3.65Å; L1050-F1112 HydrophobicContact CB-CZ 4.37Å; L1050-F1112 HydrophobicContact CD1-CD1 3.93Å; L1050-F1112 HydrophobicContact CD1-CE1 4.24Å; L1050-F1112 HydrophobicContact CD1-CG 4.3Å; T1053-F1112 WeakPolarHBondContact CB-O 3.46Å; T1053-F1112 WeakPolarHBondContact CG2-O 3.22Å; T1053-F1112 PolarHBondContact OG1-O 3.11Å; T1053-F1112 VanDerWaalsContact OG1-O 3.06Å; L1108-F1112 HydrophobicContact CB-CD2 4.13Å; L1108-F1112 HydrophobicContact CB-CE2 4.39Å; L1108-F1112 HydrophobicContact CD2-CD2 4.33Å; L1108-F1112 HydrophobicContact CD2-CE2 3.85Å; L1108-F1112 VanDerWaalsContact O-CB 3.31Å; L1108-F1112 WeakPolarHBondContact O-CB 2.91Å; L1108-F1112 VanDerWaalsContact O-CD2 3.25Å; L1108-F1112 WeakPolarHBondContact O-CD2 3.49Å; L1108-F1112 PolarHBondContact O-N 3.31Å; R1109-F1112 PolarHBondContact O-N 3.09Å; R1110-F1112 VanDerWaalsContact C-N 3.35Å; F1112-V1114 VanDerWaalsContact O-CG2 3.28Å; F1112-V1114 WeakPolarHBondContact O-CG2 3.23Å; F1112-V1114 PolarHBondContact O-N 2.9Å; F1112-F1123 HydrophobicContact CD2-CE1 4.15Å; F1112-F1123 AromaticContact CE2-CE1 3.57Å; F1112-F1123 HydrophobicContact CE2-CE1 3.57Å; F1112-F1123 HydrophobicContact CE2-CZ 4.21Å; F1112-F1123 HydrophobicContact CZ-CE1 4.03Å
1113L58.2Low64.3Low28 Ų2863.8 Ų63.815%0.14732%0.316CS..THydrogen-bonded Turntrans-79.27.8175.5-91.968.8000113.8F1075 Y1078 L1079 R1109 D1115F1075-L1113 HydrophobicContact CB-CD2 4.01Å; F1075-L1113 HydrophobicContact CB-CG 4.36Å; F1075-L1113 HydrophobicContact CD2-CG 4.43Å; F1075-L1113 HydrophobicContact CG-CG 4.45Å; Y1078-L1113 WeakPolarHBondContact O-CD2 3.26Å; L1079-L1113 HydrophobicContact CD2-CB 3.79Å; L1079-L1113 HydrophobicContact CD2-CD2 3.65Å; L1079-L1113 HydrophobicContact CD2-CG 4.35Å; L1079-L1113 HydrophobicContact CG-CB 4.45Å; L1079-L1113 HydrophobicContact CG-CD2 3.78Å; R1109-L1113 HydrophobicContact CG-CD1 4.4Å; R1109-L1113 WeakPolarHBondContact O-CB 3.3Å; R1109-L1113 PolarHBondContact O-N 3.47Å; L1113-D1115 VanDerWaalsContact C-N 3.3Å; L1113-D1115 PolarHBondContact O-N 3.14Å
1114V59.8Low65.3Low0 Ų062.8 Ų62.80%031%0.31CS..THydrogen-bonded Turntrans67.627.5166.8-158.70000113.3I1054 R1057 F1112 D1116 L1117 S1120I1054-V1114 HydrophobicContact CG1-CG1 4.46Å; I1054-V1114 HydrophobicContact CG1-CG2 4Å; R1057-V1114 HydrophobicContact CB-CB 4.35Å; R1057-V1114 HydrophobicContact CB-CG1 4.41Å; R1057-V1114 HydrophobicContact CB-CG2 4.32Å; R1057-V1114 HydrophobicContact CG-CB 3.84Å; R1057-V1114 HydrophobicContact CG-CG1 4.27Å; R1057-V1114 HydrophobicContact CG-CG2 4.13Å; R1057-V1114 PolarHBondContact NE-O 3.46Å; R1057-V1114 PolarHBondContact NH1-O 2.94Å; R1057-V1114 PolarHBondContact NH2-O 2.76Å; F1112-V1114 VanDerWaalsContact O-CG2 3.28Å; F1112-V1114 WeakPolarHBondContact O-CG2 3.23Å; F1112-V1114 PolarHBondContact O-N 2.9Å; V1114-D1116 CarbonylContact O-C 3.42Å; V1114-D1116 VanDerWaalsContact O-C 3.31Å; V1114-D1116 PolarHBondContact O-N 3.49Å; V1114-D1116 VanDerWaalsContact O-N 3.11Å; V1114-L1117 HydrophobicContact CG1-CB 4.09Å; V1114-L1117 HydrophobicContact CG1-CD1 3.53Å; V1114-L1117 HydrophobicContact CG1-CG 4.43Å; V1114-L1117 PolarHBondContact O-N 2.8Å; V1114-S1120 VanDerWaalsContact CA-OG 3.29Å; V1114-S1120 WeakPolarHBondContact CA-OG 3.43Å
1115D55.6Low66.3Low75 Ų7563.1 Ų63.140%0.40131%0.312SS..SBendtrans-46-50.7-170.3-154.512.8000111.2R1057 R1110 L1113R1057-D1115 PolarHBondContact NH2-O 3.27Å; R1110-D1115 HydrophobicContact CG-CB 3.88Å; R1110-D1115 PolarHBondContact O-N 3.44Å; L1113-D1115 VanDerWaalsContact C-N 3.3Å; L1113-D1115 PolarHBondContact O-N 3.14Å
1116D58.2Low66.8Low80 Ų8066.1 Ų66.143%0.42833%0.328SS..SBendtrans-109.1126.3152.9-171.7-16.4000110.6V1114 V1118 D1119 S1120V1114-D1116 CarbonylContact O-C 3.42Å; V1114-D1116 VanDerWaalsContact O-C 3.31Å; V1114-D1116 PolarHBondContact O-N 3.49Å; V1114-D1116 VanDerWaalsContact O-N 3.11Å; D1116-V1118 PolarHBondContact O-N 3.4Å; D1116-V1118 WeakPolarHBondContact OD1-CB 3.39Å; D1116-V1118 PolarHBondContact OD1-N 3.39Å; D1116-D1119 HydrophobicContact CB-CB 4.35Å; D1116-D1119 PolarHBondContact O-N 3.3Å; D1116-S1120 PolarHBondContact O-N 3.16Å; D1116-S1120 VanDerWaalsContact O-N 3.14Å
1117L64.4Low67.4Low82 Ų8261.3 Ų61.343%0.42931%0.308SS..Hα-helixtrans-61.4-31.9176.7-178.366.6000112.4I1054 V1114 L1121I1054-L1117 HydrophobicContact CG2-CD1 4.38Å; V1114-L1117 HydrophobicContact CG1-CB 4.09Å; V1114-L1117 HydrophobicContact CG1-CD1 3.53Å; V1114-L1117 HydrophobicContact CG1-CG 4.43Å; V1114-L1117 PolarHBondContact O-N 2.8Å; L1117-L1121 WeakPolarHBondContact O-CB 3.35Å; L1117-L1121 PolarHBondContact O-N 3.04Å
1118V65.2Low68.4Low83 Ų8364.6 Ų64.650%0.50332%0.317SS..Hα-helixtrans-71.3-38.4-179.5-177.60000110.8D1116 L1121 K1122D1116-V1118 PolarHBondContact O-N 3.4Å; D1116-V1118 WeakPolarHBondContact OD1-CB 3.39Å; D1116-V1118 PolarHBondContact OD1-N 3.39Å; V1118-L1121 PolarHBondContact O-N 2.74Å; V1118-K1122 WeakPolarHBondContact O-CG 3.23Å; V1118-K1122 PolarHBondContact O-N 2.75Å
1119D67.4Low69Low48 Ų4865.1 Ų65.126%0.25732%0.322SS..Hα-helixtrans-74.1-35.6176.4-81.3-2.1000112.1D1116 L1121 K1122 F1123D1116-D1119 HydrophobicContact CB-CB 4.35Å; D1116-D1119 PolarHBondContact O-N 3.3Å; D1119-L1121 VanDerWaalsContact C-N 3.33Å; D1119-L1121 PolarHBondContact O-N 3.41Å; D1119-K1122 PolarHBondContact O-N 3.14Å; D1119-K1122 IonicContact OD1-NZ 2.64Å; D1119-K1122 PolarHBondContact OD1-NZ 2.77Å; D1119-F1123 WeakPolarHBondContact O-CB 3.37Å; D1119-F1123 PolarHBondContact O-N 3.08Å
1120S71.4Confident68.9Low1 Ų165.7 Ų65.71%0.00733%0.327CS..Hα-helixtrans-64.7-34.9169.3-67.10000113.3L1111 V1114 D1116 F1123 A1124L1111-S1120 WeakPolarHBondContact O-CB 3.37Å; L1111-S1120 PolarHBondContact O-OG 3.2Å; V1114-S1120 VanDerWaalsContact CA-OG 3.29Å; V1114-S1120 WeakPolarHBondContact CA-OG 3.43Å; D1116-S1120 PolarHBondContact O-N 3.16Å; D1116-S1120 VanDerWaalsContact O-N 3.14Å; S1120-F1123 PolarHBondContact O-N 3.36Å; S1120-A1124 WeakPolarHBondContact O-CB 3.07Å; S1120-A1124 PolarHBondContact O-N 2.95Å
1121L77.3Confident69.2Low107 Ų10761.4 Ų61.456%0.5631%0.313SS*.Hα-helixtrans-69.6-39.8174.7-176.160.9000111.6L1117 V1118 D1119 F1123 A1124 V1125L1117-L1121 WeakPolarHBondContact O-CB 3.35Å; L1117-L1121 PolarHBondContact O-N 3.04Å; V1118-L1121 PolarHBondContact O-N 2.74Å; D1119-L1121 VanDerWaalsContact C-N 3.33Å; D1119-L1121 PolarHBondContact O-N 3.41Å; L1121-F1123 VanDerWaalsContact C-N 3.3Å; L1121-F1123 PolarHBondContact O-N 2.63Å; L1121-A1124 PolarHBondContact O-N 3.46Å; L1121-V1125 WeakPolarHBondContact O-CG2 3.48Å; L1121-V1125 PolarHBondContact O-N 3.17Å
1122K79.4Confident69.3Low114 Ų11466 Ų6650%0.49633%0.329SS..Hα-helixtrans-58.1-44.1169.1-68.4167.1-163.2154.20110.8V1118 D1119 V1125 L1126V1118-K1122 WeakPolarHBondContact O-CG 3.23Å; V1118-K1122 PolarHBondContact O-N 2.75Å; D1119-K1122 PolarHBondContact O-N 3.14Å; D1119-K1122 IonicContact OD1-NZ 2.64Å; D1119-K1122 PolarHBondContact OD1-NZ 2.77Å; K1122-V1125 PolarHBondContact O-N 2.94Å; K1122-L1126 WeakPolarHBondContact O-CG 3.26Å; K1122-L1126 PolarHBondContact O-N 3.38Å
1123F72.1Confident69.7Low19 Ų1967.5 Ų67.58%0.08334%0.341CS..Hα-helixtrans-66.5-36.4177.9-173.1-111000112.8L1050 L1108 L1111 F1112 D1119 S1120 L1121 V1125 L1126 M1127L1050-F1123 HydrophobicContact CD1-CD1 4.25Å; L1050-F1123 HydrophobicContact CD2-CD1 3.71Å; L1050-F1123 HydrophobicContact CD2-CE1 4.26Å; L1108-F1123 HydrophobicContact CD2-CE1 4.04Å; L1108-F1123 HydrophobicContact CD2-CE2 4Å; L1108-F1123 HydrophobicContact CD2-CZ 3.35Å; L1111-F1123 HydrophobicContact CB-CB 4.29Å; L1111-F1123 HydrophobicContact CB-CD1 4.23Å; L1111-F1123 HydrophobicContact CB-CG 4.14Å; L1111-F1123 HydrophobicContact CD2-CB 4Å; L1111-F1123 HydrophobicContact CD2-CD2 3.72Å; L1111-F1123 HydrophobicContact CD2-CE2 4.43Å; L1111-F1123 HydrophobicContact CD2-CG 3.87Å; L1111-F1123 HydrophobicContact CG-CB 4.24Å; L1111-F1123 HydrophobicContact CG-CG 4.38Å; F1112-F1123 HydrophobicContact CD2-CE1 4.15Å; F1112-F1123 AromaticContact CE2-CE1 3.57Å; F1112-F1123 HydrophobicContact CE2-CE1 3.57Å; F1112-F1123 HydrophobicContact CE2-CZ 4.21Å; F1112-F1123 HydrophobicContact CZ-CE1 4.03Å; D1119-F1123 WeakPolarHBondContact O-CB 3.37Å; D1119-F1123 PolarHBondContact O-N 3.08Å; S1120-F1123 PolarHBondContact O-N 3.36Å; L1121-F1123 VanDerWaalsContact C-N 3.3Å; L1121-F1123 PolarHBondContact O-N 2.63Å; F1123-V1125 VanDerWaalsContact C-N 3.35Å; F1123-L1126 PolarHBondContact O-N 3.17Å; F1123-M1127 HydrophobicContact CD1-CG 4.19Å; F1123-M1127 HydrophobicContact CE1-CG 3.64Å; F1123-M1127 HydrophobicContact CE1-SD 4.36Å; F1123-M1127 HydrophobicContact CE2-CE 3.86Å; F1123-M1127 HydrophobicContact CE2-CG 4.07Å; F1123-M1127 HydrophobicContact CE2-SD 4.44Å; F1123-M1127 HydrophobicContact CZ-CE 3.81Å; F1123-M1127 HydrophobicContact CZ-CG 3.56Å; F1123-M1127 HydrophobicContact CZ-SD 3.83Å; F1123-M1127 WeakPolarHBondContact O-CB 3.47Å; F1123-M1127 WeakPolarHBondContact O-CG 3.34Å; F1123-M1127 PolarHBondContact O-N 3.4Å
1124A79.4Confident70Confident23 Ų2367.2 Ų67.219%0.1935%0.345CS..Hα-helixtrans-61.9-42.4172.300000111.6L1050 S1120 L1121 M1127 W1128L1050-A1124 VanDerWaalsContact CD2-CA 3.46Å; L1050-A1124 HydrophobicContact CD2-CB 3.59Å; S1120-A1124 WeakPolarHBondContact O-CB 3.07Å; S1120-A1124 PolarHBondContact O-N 2.95Å; L1121-A1124 PolarHBondContact O-N 3.46Å; A1124-M1127 PolarHBondContact O-N 3.46Å; A1124-W1128 VanDerWaalsContact O-CB 3.24Å; A1124-W1128 WeakPolarHBondContact O-CB 3.5Å; A1124-W1128 PolarHBondContact O-N 3.35Å
1125V79.3Confident70.4Confident74 Ų7471 Ų7145%0.44838%0.376SS..Hα-helixtrans-65.9-39.4174.1173.40000111.2L1121 K1122 F1123 W1128 V1129L1121-V1125 WeakPolarHBondContact O-CG2 3.48Å; L1121-V1125 PolarHBondContact O-N 3.17Å; K1122-V1125 PolarHBondContact O-N 2.94Å; F1123-V1125 VanDerWaalsContact C-N 3.35Å; V1125-W1128 PolarHBondContact O-N 2.79Å; V1125-V1129 HydrophobicContact CG1-CG2 4.47Å; V1125-V1129 WeakPolarHBondContact O-CB 3.33Å; V1125-V1129 VanDerWaalsContact O-CG2 3.3Å; V1125-V1129 WeakPolarHBondContact O-CG2 3.42Å; V1125-V1129 PolarHBondContact O-N 3.43Å
1126L75.6Confident70.4Confident112 Ų11272.4 Ų72.459%0.58638%0.383SS*.Hα-helixtrans-64.4-43.1174.6-72.1170.5000112.4K1122 F1123 V1129 F1130K1122-L1126 WeakPolarHBondContact O-CG 3.26Å; K1122-L1126 PolarHBondContact O-N 3.38Å; F1123-L1126 PolarHBondContact O-N 3.17Å; L1126-V1129 PolarHBondContact O-N 2.93Å; L1126-F1130 WeakPolarHBondContact O-CB 3.33Å; L1126-F1130 PolarHBondContact O-N 2.81Å
1127M76.3Confident70.2Confident36 Ų3673.4 Ų73.418%0.17738%0.383CS..Hα-helixtrans-66.8-36.9174.2-74.4-69.2104.300112.1A1046 F1123 A1124 F1130 T1131A1046-M1127 HydrophobicContact CB-SD 3.93Å; F1123-M1127 HydrophobicContact CD1-CG 4.19Å; F1123-M1127 HydrophobicContact CE1-CG 3.64Å; F1123-M1127 HydrophobicContact CE1-SD 4.36Å; F1123-M1127 HydrophobicContact CE2-CE 3.86Å; F1123-M1127 HydrophobicContact CE2-CG 4.07Å; F1123-M1127 HydrophobicContact CE2-SD 4.44Å; F1123-M1127 HydrophobicContact CZ-CE 3.81Å; F1123-M1127 HydrophobicContact CZ-CG 3.56Å; F1123-M1127 HydrophobicContact CZ-SD 3.83Å; F1123-M1127 WeakPolarHBondContact O-CB 3.47Å; F1123-M1127 WeakPolarHBondContact O-CG 3.34Å; F1123-M1127 PolarHBondContact O-N 3.4Å; A1124-M1127 PolarHBondContact O-N 3.46Å; M1127-F1130 HydrophobicContact CE-CB 4.48Å; M1127-F1130 CarbonylContact O-C 3.41Å; M1127-F1130 WeakPolarHBondContact O-CB 3.26Å; M1127-F1130 PolarHBondContact O-N 3.45Å; M1127-T1131 PolarHBondContact O-N 2.82Å
1128W81Confident70.3Confident160 Ų16072.5 Ų72.561%0.60638%0.379SS*.Hα-helixtrans-66.1-45.4173.9178.472.8000111.8A1124 V1125 F1130 T1131 Y1132A1124-W1128 VanDerWaalsContact O-CB 3.24Å; A1124-W1128 WeakPolarHBondContact O-CB 3.5Å; A1124-W1128 PolarHBondContact O-N 3.35Å; V1125-W1128 PolarHBondContact O-N 2.79Å; W1128-F1130 PolarHBondContact O-N 2.91Å; W1128-T1131 WeakPolarHBondContact CA-OG1 3.43Å; W1128-T1131 PolarHBondContact O-N 2.74Å; W1128-T1131 VanDerWaalsContact O-N 3.11Å; W1128-T1131 PolarHBondContact O-OG1 2.81Å; W1128-Y1132 PolarHBondContact O-N 3.47Å
1129V74.9Confident70.4Confident64 Ų6469.8 Ų69.839%0.38837%0.368SS..Hα-helixtrans-60-36170.3170.30000110.7V1125 L1126 Y1132 V1133V1125-V1129 HydrophobicContact CG1-CG2 4.47Å; V1125-V1129 WeakPolarHBondContact O-CB 3.33Å; V1125-V1129 VanDerWaalsContact O-CG2 3.3Å; V1125-V1129 WeakPolarHBondContact O-CG2 3.42Å; V1125-V1129 PolarHBondContact O-N 3.43Å; L1126-V1129 PolarHBondContact O-N 2.93Å; V1129-Y1132 PolarHBondContact O-N 2.91Å; V1129-V1133 HydrophobicContact CG1-CG2 4.32Å; V1129-V1133 WeakPolarHBondContact O-CB 3.43Å; V1129-V1133 WeakPolarHBondContact O-CG2 3.31Å; V1129-V1133 PolarHBondContact O-N 3.49Å
1130F65Low70.6Confident98 Ų9868 Ų6843%0.4336%0.358SS..Hα-helixtrans-66.8-38.3173.9-166.7-97.5000112.6V1039 A1043 L1126 M1127 W1128 Y1132 V1133 G1134V1039-F1130 HydrophobicContact CG1-CE1 3.82Å; V1039-F1130 HydrophobicContact CG1-CZ 4Å; A1043-F1130 HydrophobicContact CB-CD1 3.88Å; A1043-F1130 HydrophobicContact CB-CE1 4.29Å; L1126-F1130 WeakPolarHBondContact O-CB 3.33Å; L1126-F1130 PolarHBondContact O-N 2.81Å; M1127-F1130 HydrophobicContact CE-CB 4.48Å; M1127-F1130 CarbonylContact O-C 3.41Å; M1127-F1130 WeakPolarHBondContact O-CB 3.26Å; M1127-F1130 PolarHBondContact O-N 3.45Å; W1128-F1130 PolarHBondContact O-N 2.91Å; F1130-Y1132 VanDerWaalsContact C-N 3.31Å; F1130-Y1132 PolarHBondContact O-N 3.37Å; F1130-V1133 PolarHBondContact O-N 2.83Å; F1130-G1134 PolarHBondContact O-N 3.27Å
1131T71.9Confident70.9Confident21 Ų2170.6 Ų70.613%0.12937%0.374CS..Hα-helixtrans-63.8-35.817059.10000112.2A1043 Y1044 L1047 M1127 W1128 G1134 A1135A1043-T1131 HydrophobicContact CB-CG2 3.68Å; Y1044-T1131 HydrophobicContact CD1-CG2 4.35Å; Y1044-T1131 HydrophobicContact CE1-CG2 4.2Å; L1047-T1131 HydrophobicContact CD1-CG2 4.4Å; M1127-T1131 PolarHBondContact O-N 2.82Å; W1128-T1131 WeakPolarHBondContact CA-OG1 3.43Å; W1128-T1131 PolarHBondContact O-N 2.74Å; W1128-T1131 VanDerWaalsContact O-N 3.11Å; W1128-T1131 PolarHBondContact O-OG1 2.81Å; T1131-G1134 PolarHBondContact O-N 3.34Å; T1131-A1135 WeakPolarHBondContact O-CB 3.3Å; T1131-A1135 PolarHBondContact O-N 2.78Å; T1131-A1135 VanDerWaalsContact O-N 3.11Å
1132Y66Low70.9Confident131 Ų13169 Ų6951%0.51437%0.366SS..Hα-helixtrans-71.2-41.2176.2-175.2-117.5000112.4W1128 V1129 F1130 G1134 A1135 L1136W1128-Y1132 PolarHBondContact O-N 3.47Å; V1129-Y1132 PolarHBondContact O-N 2.91Å; F1130-Y1132 VanDerWaalsContact C-N 3.31Å; F1130-Y1132 PolarHBondContact O-N 3.37Å; Y1132-G1134 VanDerWaalsContact C-N 3.32Å; Y1132-G1134 PolarHBondContact O-N 3.49Å; Y1132-A1135 PolarHBondContact O-N 2.69Å; Y1132-A1135 VanDerWaalsContact O-N 3.09Å; Y1132-L1136 HydrophobicContact CD1-CD1 3.92Å; Y1132-L1136 HydrophobicContact CD1-CG 4.32Å; Y1132-L1136 HydrophobicContact CD2-CG 4.44Å; Y1132-L1136 HydrophobicContact CE1-CD1 3.38Å; Y1132-L1136 HydrophobicContact CE1-CG 3.95Å; Y1132-L1136 HydrophobicContact CE2-CD1 4.39Å; Y1132-L1136 HydrophobicContact CE2-CD2 4.2Å; Y1132-L1136 HydrophobicContact CE2-CG 4.06Å; Y1132-L1136 PolarHBondContact O-N 3.35Å
1133V65.9Low70.9Confident62 Ų6268.1 Ų68.138%0.37637%0.366SS..Hα-helixtrans-61.2-41.7171.9168.40000110.7V1129 F1130 A1135 F1137V1129-V1133 HydrophobicContact CG1-CG2 4.32Å; V1129-V1133 WeakPolarHBondContact O-CB 3.43Å; V1129-V1133 WeakPolarHBondContact O-CG2 3.31Å; V1129-V1133 PolarHBondContact O-N 3.49Å; F1130-V1133 PolarHBondContact O-N 2.83Å; V1133-A1135 PolarHBondContact O-N 2.79Å; V1133-F1137 CarbonylContact O-C 3.53Å; V1133-F1137 PolarHBondContact O-N 3.11Å
1134G64.9Low71.5Confident22 Ų2268.2 Ų68.223%0.22737%0.367CS..Hα-helixtrans-69.9-8.5174.200000115.4F1130 T1131 Y1132 F1137F1130-G1134 PolarHBondContact O-N 3.27Å; T1131-G1134 PolarHBondContact O-N 3.34Å; Y1132-G1134 VanDerWaalsContact C-N 3.32Å; Y1132-G1134 PolarHBondContact O-N 3.49Å; G1134-F1137 CarbonylContact C-O 3.36Å; G1134-F1137 VanDerWaalsContact CA-O 3.26Å; G1134-F1137 WeakPolarHBondContact CA-O 3.41Å; G1134-F1137 VanDerWaalsContact O-O 3.09Å
1135A67.1Low71.6Confident80 Ų8071.7 Ų71.766%0.66138%0.382SS*.Hα-helixtrans-102.5-39.8173.300000112.5T1131 Y1132 V1133T1131-A1135 WeakPolarHBondContact O-CB 3.3Å; T1131-A1135 PolarHBondContact O-N 2.78Å; T1131-A1135 VanDerWaalsContact O-N 3.11Å; Y1132-A1135 PolarHBondContact O-N 2.69Å; Y1132-A1135 VanDerWaalsContact O-N 3.09Å; V1133-A1135 PolarHBondContact O-N 2.79Å
1136L56.8Low71.8Confident104 Ų10470.9 Ų70.955%0.54538%0.383SS..Hα-helixtrans-67.5-45174.4-76.8-175000112Y1132Y1132-L1136 HydrophobicContact CD1-CD1 3.92Å; Y1132-L1136 HydrophobicContact CD1-CG 4.32Å; Y1132-L1136 HydrophobicContact CD2-CG 4.44Å; Y1132-L1136 HydrophobicContact CE1-CD1 3.38Å; Y1132-L1136 HydrophobicContact CE1-CG 3.95Å; Y1132-L1136 HydrophobicContact CE2-CD1 4.39Å; Y1132-L1136 HydrophobicContact CE2-CD2 4.2Å; Y1132-L1136 HydrophobicContact CE2-CG 4.06Å; Y1132-L1136 PolarHBondContact O-N 3.35Å
1137F53.4Low72.3Confident100 Ų10066.6 Ų66.644%0.43936%0.36SS..SBendtrans-112.7129.7167.4-59-86.9000106.3V1133 G1134 G1139 L1142V1133-F1137 CarbonylContact O-C 3.53Å; V1133-F1137 PolarHBondContact O-N 3.11Å; G1134-F1137 CarbonylContact C-O 3.36Å; G1134-F1137 VanDerWaalsContact CA-O 3.26Å; G1134-F1137 WeakPolarHBondContact CA-O 3.41Å; G1134-F1137 VanDerWaalsContact O-O 3.09Å; F1137-G1139 PolarHBondContact O-N 3.46Å; F1137-L1142 HydrophobicContact CB-CD1 3.79Å; F1137-L1142 HydrophobicContact CB-CG 4Å; F1137-L1142 HydrophobicContact CD1-CD1 3.71Å; F1137-L1142 HydrophobicContact CD1-CD2 3.76Å; F1137-L1142 HydrophobicContact CD1-CG 3.68Å; F1137-L1142 HydrophobicContact CD2-CD1 3.91Å; F1137-L1142 HydrophobicContact CE1-CD1 4.25Å; F1137-L1142 HydrophobicContact CE1-CD2 3.99Å; F1137-L1142 HydrophobicContact CE1-CG 4.35Å; F1137-L1142 HydrophobicContact CE2-CD1 4.43Å; F1137-L1142 HydrophobicContact CG-CD1 3.52Å; F1137-L1142 HydrophobicContact CG-CD2 4.42Å; F1137-L1142 HydrophobicContact CG-CG 3.89Å
1138N66.1Low72.8Confident64 Ų6467.6 Ų67.634%0.34237%0.366SS..  trans-57.3102.5152177.8-26.1000104.9T1034 L1140 T1141T1034-N1138 WeakPolarHBondContact CG2-ND2 3.33Å; N1138-L1140 PolarHBondContact O-N 2.82Å; N1138-L1140 PolarHBondContact OD1-N 3.41Å; N1138-T1141 HydrophobicContact CB-CG2 3.89Å; N1138-T1141 PolarHBondContact O-N 3.38Å; N1138-T1141 PolarHBondContact O-OG1 3.41Å
1139G67.9Low73Confident25 Ų2562.9 Ų62.926%0.25836%0.357SS..Hα-helixtrans-59-21.8-162.800000113.1F1137 L1142 L1143F1137-G1139 PolarHBondContact O-N 3.46Å; G1139-L1142 PolarHBondContact O-N 3.45Å; G1139-L1143 PolarHBondContact O-N 2.88Å
1140L71.9Confident73.5Confident12 Ų1264.3 Ų64.36%0.06336%0.362CS..Hα-helixtrans-77.9-24.6174.7-160.5146.1000113.6L1030 L1033 T1034 N1138 L1142 L1143 I1144L1030-L1140 HydrophobicContact CB-CD2 3.86Å; L1030-L1140 HydrophobicContact CG-CD2 4.14Å; L1030-L1140 HydrophobicContact CG-CG 4.47Å; L1030-L1140 WeakPolarHBondContact O-CD2 3.17Å; L1033-L1140 HydrophobicContact CB-CD1 3.35Å; L1033-L1140 HydrophobicContact CD2-CD1 4.35Å; T1034-L1140 HydrophobicContact CG2-CB 4.1Å; T1034-L1140 HydrophobicContact CG2-CD2 3.6Å; T1034-L1140 HydrophobicContact CG2-CG 4.46Å; N1138-L1140 PolarHBondContact O-N 2.82Å; N1138-L1140 PolarHBondContact OD1-N 3.41Å; L1140-L1142 VanDerWaalsContact C-N 3.32Å; L1140-L1143 CarbonylContact O-C 3.44Å; L1140-L1143 WeakPolarHBondContact O-CA 3.44Å; L1140-L1143 WeakPolarHBondContact O-CB 3.42Å; L1140-L1143 PolarHBondContact O-N 2.74Å; L1140-L1143 VanDerWaalsContact O-N 3.14Å; L1140-I1144 HydrophobicContact CD2-CD1 3.59Å; L1140-I1144 HydrophobicContact CD2-CG1 3.8Å; L1140-I1144 WeakPolarHBondContact O-CB 3.46Å; L1140-I1144 WeakPolarHBondContact O-CG1 3.35Å; L1140-I1144 PolarHBondContact O-N 3.49Å
1141T76.3Confident74.4Confident55 Ų5560.4 Ų60.434%0.33735%0.345SS..Hα-helixtrans-67.3-32.8169.166.20000111.9T1034 N1138 I1144 L1145T1034-T1141 HydrophobicContact CG2-CG2 3.84Å; N1138-T1141 HydrophobicContact CB-CG2 3.89Å; N1138-T1141 PolarHBondContact O-N 3.38Å; N1138-T1141 PolarHBondContact O-OG1 3.41Å; T1141-I1144 PolarHBondContact O-N 2.84Å; T1141-L1145 WeakPolarHBondContact O-CB 3.16Å; T1141-L1145 VanDerWaalsContact O-CG 3.27Å; T1141-L1145 WeakPolarHBondContact O-CG 3.1Å; T1141-L1145 PolarHBondContact O-N 2.89Å
1142L77Confident74.9Confident73 Ų7361.7 Ų61.738%0.38236%0.355SS..Hα-helixtrans-65.7-37.8167.7-73.7-179.1000111.7F1137 G1139 L1140 L1145 A1146F1137-L1142 HydrophobicContact CB-CD1 3.79Å; F1137-L1142 HydrophobicContact CB-CG 4Å; F1137-L1142 HydrophobicContact CD1-CD1 3.71Å; F1137-L1142 HydrophobicContact CD1-CD2 3.76Å; F1137-L1142 HydrophobicContact CD1-CG 3.68Å; F1137-L1142 HydrophobicContact CD2-CD1 3.91Å; F1137-L1142 HydrophobicContact CE1-CD1 4.25Å; F1137-L1142 HydrophobicContact CE1-CD2 3.99Å; F1137-L1142 HydrophobicContact CE1-CG 4.35Å; F1137-L1142 HydrophobicContact CE2-CD1 4.43Å; F1137-L1142 HydrophobicContact CG-CD1 3.52Å; F1137-L1142 HydrophobicContact CG-CD2 4.42Å; F1137-L1142 HydrophobicContact CG-CG 3.89Å; G1139-L1142 PolarHBondContact O-N 3.45Å; L1140-L1142 VanDerWaalsContact C-N 3.32Å; L1142-L1145 HydrophobicContact CD2-CD1 4.48Å; L1142-L1145 PolarHBondContact O-N 3.49Å; L1142-A1146 WeakPolarHBondContact O-CB 3.45Å; L1142-A1146 PolarHBondContact O-N 2.8Å
1143L79.8Confident75.7Confident95 Ų9559.4 Ų59.450%0.49735%0.354SS..Hα-helixtrans-67.5-37174.6-166.568.4000112.3L1030 G1139 L1140 A1146 L1147L1030-L1143 HydrophobicContact CD1-CD2 4.48Å; L1030-L1143 HydrophobicContact CD2-CB 4.32Å; L1030-L1143 HydrophobicContact CD2-CD2 4.09Å; L1030-L1143 HydrophobicContact CD2-CG 3.89Å; L1030-L1143 HydrophobicContact CG-CD2 4.19Å; G1139-L1143 PolarHBondContact O-N 2.88Å; L1140-L1143 CarbonylContact O-C 3.44Å; L1140-L1143 WeakPolarHBondContact O-CA 3.44Å; L1140-L1143 WeakPolarHBondContact O-CB 3.42Å; L1140-L1143 PolarHBondContact O-N 2.74Å; L1140-L1143 VanDerWaalsContact O-N 3.14Å; L1143-A1146 PolarHBondContact O-N 3.24Å; L1143-L1147 WeakPolarHBondContact O-CB 3.49Å; L1143-L1147 PolarHBondContact O-N 2.75Å
1144I84.2Confident76.4Confident22 Ų2257.3 Ų57.311%0.11334%0.342CS..Hα-helixtrans-63.6-48171.5-76.9171.3000109.9L1027 L1030 L1031 T1034 L1140 T1141 A1146 L1147 I1148L1027-I1144 HydrophobicContact CD1-CG1 4.26Å; L1027-I1144 HydrophobicContact CD1-CG2 3.8Å; L1030-I1144 HydrophobicContact CB-CD1 4.32Å; L1030-I1144 HydrophobicContact CB-CG1 3.78Å; L1030-I1144 HydrophobicContact CD2-CG1 3.86Å; L1030-I1144 HydrophobicContact CG-CG1 4.33Å; L1031-I1144 HydrophobicContact CD1-CD1 4.42Å; T1034-I1144 HydrophobicContact CG2-CD1 4.15Å; L1140-I1144 HydrophobicContact CD2-CD1 3.59Å; L1140-I1144 HydrophobicContact CD2-CG1 3.8Å; L1140-I1144 WeakPolarHBondContact O-CB 3.46Å; L1140-I1144 WeakPolarHBondContact O-CG1 3.35Å; L1140-I1144 PolarHBondContact O-N 3.49Å; T1141-I1144 PolarHBondContact O-N 2.84Å; I1144-A1146 VanDerWaalsContact C-N 3.32Å; I1144-A1146 PolarHBondContact O-N 2.9Å; I1144-L1147 PolarHBondContact O-N 2.69Å; I1144-I1148 HydrophobicContact CG2-CD1 3.53Å; I1144-I1148 HydrophobicContact CG2-CG1 4.28Å; I1144-I1148 WeakPolarHBondContact O-CB 3.23Å; I1144-I1148 VanDerWaalsContact O-CG1 3.23Å; I1144-I1148 WeakPolarHBondContact O-CG1 3.35Å; I1144-I1148 PolarHBondContact O-N 2.87Å
1145L82.1Confident77.1Confident96 Ų9658.5 Ų58.550%0.50335%0.345SS..Hα-helixtrans-62.3-40.6176.7-74169.7000111.2T1141 L1142 I1148 S1149T1141-L1145 WeakPolarHBondContact O-CB 3.16Å; T1141-L1145 VanDerWaalsContact O-CG 3.27Å; T1141-L1145 WeakPolarHBondContact O-CG 3.1Å; T1141-L1145 PolarHBondContact O-N 2.89Å; L1142-L1145 HydrophobicContact CD2-CD1 4.48Å; L1142-L1145 PolarHBondContact O-N 3.49Å; L1145-I1148 PolarHBondContact O-N 3.11Å; L1145-S1149 VanDerWaalsContact O-CB 3.28Å; L1145-S1149 WeakPolarHBondContact O-CB 3.47Å; L1145-S1149 PolarHBondContact O-N 3.4Å; L1145-S1149 PolarHBondContact O-OG 2.91Å; L1145-S1149 VanDerWaalsContact O-OG 3.11Å
1146A84.1Confident77.8Confident56 Ų5658.7 Ų58.746%0.46333%0.334SS..Hα-helixtrans-62.1-43.8173.900000112.1L1142 L1143 I1144 S1149 L1150L1142-A1146 WeakPolarHBondContact O-CB 3.45Å; L1142-A1146 PolarHBondContact O-N 2.8Å; L1143-A1146 PolarHBondContact O-N 3.24Å; I1144-A1146 VanDerWaalsContact C-N 3.32Å; I1144-A1146 PolarHBondContact O-N 2.9Å; A1146-S1149 PolarHBondContact O-N 3.07Å; A1146-L1150 WeakPolarHBondContact O-CB 3.23Å; A1146-L1150 PolarHBondContact O-N 3.47Å
1147L85.6Confident79Confident23 Ų2358 Ų5812%0.1233%0.325CS..Hα-helixtrans-65.6-43.8176-174.872000111.9F1023 S1026 L1027 L1030 L1143 I1144 L1150 F1151F1023-L1147 HydrophobicContact CD2-CG 4.32Å; F1023-L1147 HydrophobicContact CE2-CG 4.23Å; S1026-L1147 WeakPolarHBondContact OG-CD2 3.18Å; L1027-L1147 HydrophobicContact CB-CD2 4.19Å; L1030-L1147 HydrophobicContact CD2-CB 4.29Å; L1030-L1147 HydrophobicContact CD2-CD2 3.96Å; L1143-L1147 WeakPolarHBondContact O-CB 3.49Å; L1143-L1147 PolarHBondContact O-N 2.75Å; I1144-L1147 PolarHBondContact O-N 2.69Å; L1147-L1150 PolarHBondContact O-N 3.34Å; L1147-F1151 HydrophobicContact CD1-CD2 4.03Å; L1147-F1151 HydrophobicContact CD1-CE2 3.87Å; L1147-F1151 HydrophobicContact CG-CD2 4.45Å; L1147-F1151 PolarHBondContact O-N 3.38Å; L1147-F1151 VanDerWaalsContact O-N 3.11Å
1148I87.4Confident80.3Confident57 Ų5759.3 Ų59.329%0.29233%0.332SS..Hα-helixtrans-61-49.6175.3-70.2168.8000109.7F1023 L1027 I1144 L1145 L1150 F1151 S1152F1023-I1148 HydrophobicContact CE2-CG1 4.42Å; F1023-I1148 HydrophobicContact CZ-CG1 4.1Å; L1027-I1148 HydrophobicContact CD1-CD1 4.34Å; L1027-I1148 HydrophobicContact CD1-CG1 4.28Å; I1144-I1148 HydrophobicContact CG2-CD1 3.53Å; I1144-I1148 HydrophobicContact CG2-CG1 4.28Å; I1144-I1148 WeakPolarHBondContact O-CB 3.23Å; I1144-I1148 VanDerWaalsContact O-CG1 3.23Å; I1144-I1148 WeakPolarHBondContact O-CG1 3.35Å; I1144-I1148 PolarHBondContact O-N 2.87Å; L1145-I1148 PolarHBondContact O-N 3.11Å; I1148-L1150 PolarHBondContact O-N 2.91Å; I1148-F1151 PolarHBondContact O-N 3.38Å; I1148-S1152 WeakPolarHBondContact O-CA 3.28Å; I1148-S1152 WeakPolarHBondContact O-CB 3.05Å; I1148-S1152 PolarHBondContact O-N 2.81Å; I1148-S1152 PolarHBondContact O-OG 2.98Å
1149S84Confident80.9Confident60 Ų6066 Ų6642%0.4235%0.352SS..Hα-helixtrans-60-43.8176.1-71.10000111.9L1145 A1146 F1151 S1152 V1153L1145-S1149 VanDerWaalsContact O-CB 3.28Å; L1145-S1149 WeakPolarHBondContact O-CB 3.47Å; L1145-S1149 PolarHBondContact O-N 3.4Å; L1145-S1149 PolarHBondContact O-OG 2.91Å; L1145-S1149 VanDerWaalsContact O-OG 3.11Å; A1146-S1149 PolarHBondContact O-N 3.07Å; S1149-F1151 VanDerWaalsContact C-N 3.31Å; S1149-F1151 PolarHBondContact O-N 2.83Å; S1149-S1152 PolarHBondContact O-N 2.8Å; S1149-V1153 WeakPolarHBondContact O-CB 3.14Å; S1149-V1153 VanDerWaalsContact O-CG2 3.23Å; S1149-V1153 WeakPolarHBondContact O-CG2 3.4Å; S1149-V1153 PolarHBondContact O-N 2.92Å
1150L86.9Confident81.5Confident95 Ų9567.9 Ų67.950%0.49735%0.354SS..Hα-helixtrans-58.4-41.2179.5-179.557000112.1L1011 A1146 L1147 I1148 P1154L1011-L1150 HydrophobicContact CD1-CD1 3.75Å; L1011-L1150 HydrophobicContact CD1-CG 3.73Å; L1011-L1150 VanDerWaalsContact CD1-O 3.26Å; L1011-L1150 WeakPolarHBondContact CD1-O 3.28Å; L1011-L1150 HydrophobicContact CD2-CD1 4.41Å; A1146-L1150 WeakPolarHBondContact O-CB 3.23Å; A1146-L1150 PolarHBondContact O-N 3.47Å; L1147-L1150 PolarHBondContact O-N 3.34Å; I1148-L1150 PolarHBondContact O-N 2.91Å; L1150-P1154 VanDerWaalsContact O-CD 3.23Å; L1150-P1154 WeakPolarHBondContact O-CD 3.39Å; L1150-P1154 WeakPolarHBondContact O-CG 3.44Å
1151F83.7Confident81.8Confident15 Ų1571.8 Ų71.87%0.06637%0.372CS..Hα-helixtrans-89.3-17.2177.3-82.5-92.5000115.3L1010 W1013 F1023 L1147 I1148 S1149L1010-F1151 HydrophobicContact CD2-CE1 4.1Å; L1010-F1151 HydrophobicContact CD2-CZ 3.96Å; L1010-F1151 HydrophobicContact CG-CE1 4.11Å; L1010-F1151 HydrophobicContact CG-CZ 4.48Å; L1010-F1151 WeakPolarHBondContact O-CE1 3.32Å; W1013-F1151 AromaticContact NE1-CD1 3.96Å; W1013-F1151 PolarHBondContact NE1-O 3.48Å; F1023-F1151 HydrophobicContact CB-CD1 4.08Å; F1023-F1151 HydrophobicContact CB-CE1 4.16Å; F1023-F1151 HydrophobicContact CB-CG 4.31Å; F1023-F1151 HydrophobicContact CB-CZ 4.46Å; F1023-F1151 HydrophobicContact CD2-CB 3.64Å; F1023-F1151 HydrophobicContact CD2-CD1 4.13Å; F1023-F1151 AromaticContact CD2-CD2 3.55Å; F1023-F1151 HydrophobicContact CD2-CD2 3.55Å; F1023-F1151 HydrophobicContact CD2-CE2 4.2Å; F1023-F1151 AromaticContact CD2-CG 3.5Å; F1023-F1151 HydrophobicContact CD2-CG 3.5Å; F1023-F1151 VanDerWaalsContact CD2-CG 3.5Å; F1023-F1151 HydrophobicContact CE2-CB 3.77Å; F1023-F1151 HydrophobicContact CE2-CD2 4.17Å; F1023-F1151 HydrophobicContact CE2-CG 4.11Å; F1023-F1151 HydrophobicContact CG-CB 4.33Å; F1023-F1151 HydrophobicContact CG-CD1 4.33Å; F1023-F1151 HydrophobicContact CG-CD2 4.47Å; F1023-F1151 HydrophobicContact CG-CG 4.13Å; L1147-F1151 HydrophobicContact CD1-CD2 4.03Å; L1147-F1151 HydrophobicContact CD1-CE2 3.87Å; L1147-F1151 HydrophobicContact CG-CD2 4.45Å; L1147-F1151 PolarHBondContact O-N 3.38Å; L1147-F1151 VanDerWaalsContact O-N 3.11Å; I1148-F1151 PolarHBondContact O-N 3.38Å; S1149-F1151 VanDerWaalsContact C-N 3.31Å; S1149-F1151 PolarHBondContact O-N 2.83Å
1152S82Confident81.9Confident48 Ų4873.2 Ų73.234%0.33639%0.39SS..Hα-helixtrans-104-33-175.2-51.80000113.2I1148 S1149 V1155 I1156I1148-S1152 WeakPolarHBondContact O-CA 3.28Å; I1148-S1152 WeakPolarHBondContact O-CB 3.05Å; I1148-S1152 PolarHBondContact O-N 2.81Å; I1148-S1152 PolarHBondContact O-OG 2.98Å; S1149-S1152 PolarHBondContact O-N 2.8Å; S1152-V1155 PolarHBondContact O-N 2.9Å; S1152-I1156 WeakPolarHBondContact O-CB 3.45Å; S1152-I1156 WeakPolarHBondContact O-CG2 3.23Å; S1152-I1156 PolarHBondContact O-N 2.91Å
1153V83.4Confident82.1Confident83 Ų8375.2 Ų75.250%0.50340%0.398SS..Hα-helixtrans-62.6-44.8-179.5171.70000111.8S1149 V1155 Y1157S1149-V1153 WeakPolarHBondContact O-CB 3.14Å; S1149-V1153 VanDerWaalsContact O-CG2 3.23Å; S1149-V1153 WeakPolarHBondContact O-CG2 3.4Å; S1149-V1153 PolarHBondContact O-N 2.92Å; V1153-V1155 PolarHBondContact O-N 3.08Å; V1153-Y1157 WeakPolarHBondContact O-CB 3.38Å; V1153-Y1157 PolarHBondContact O-N 3.17Å
1154P79.9Confident82.2Confident19 Ų1973.2 Ų73.212%0.12339%0.387CS..Hα-helixtrans-62.1-43177.2-26.138.2000112.7L1011 Y1012 L1150 Y1157 E1158L1011-P1154 HydrophobicContact CD2-CG 3.9Å; L1011-P1154 HydrophobicContact CG-CG 4.03Å; Y1012-P1154 HydrophobicContact CD1-CB 4.08Å; Y1012-P1154 HydrophobicContact CD2-CB 4.34Å; Y1012-P1154 HydrophobicContact CE1-CB 3.9Å; Y1012-P1154 HydrophobicContact CE2-CB 4.19Å; Y1012-P1154 HydrophobicContact CG-CB 4.31Å; L1150-P1154 VanDerWaalsContact O-CD 3.23Å; L1150-P1154 WeakPolarHBondContact O-CD 3.39Å; L1150-P1154 WeakPolarHBondContact O-CG 3.44Å; P1154-Y1157 PolarHBondContact O-N 3.3Å; P1154-E1158 WeakPolarHBondContact O-CB 3.27Å; P1154-E1158 PolarHBondContact O-N 3.46Å
1155V80.1Confident82.2Confident47 Ų4775.2 Ų75.229%0.28540%0.398SS..Hα-helixtrans-69.8-43.6-179.7-179.50000112.2W1013 S1152 V1153 Y1157 R1159W1013-V1155 HydrophobicContact CB-CG2 4.03Å; W1013-V1155 HydrophobicContact CG-CG2 3.76Å; S1152-V1155 PolarHBondContact O-N 2.9Å; V1153-V1155 PolarHBondContact O-N 3.08Å; V1155-Y1157 VanDerWaalsContact C-N 3.31Å; V1155-R1159 VanDerWaalsContact O-CB 3.24Å; V1155-R1159 WeakPolarHBondContact O-CB 3.33Å; V1155-R1159 PolarHBondContact O-N 3.33Å
1156I81.1Confident82.3Confident83 Ų8376.4 Ų76.443%0.42640%0.401SS..Hα-helixtrans-69.5-34.1178.6-149.973.2000110.6S1152 R1159 H1160 I1164S1152-I1156 WeakPolarHBondContact O-CB 3.45Å; S1152-I1156 WeakPolarHBondContact O-CG2 3.23Å; S1152-I1156 PolarHBondContact O-N 2.91Å; I1156-R1159 PolarHBondContact O-N 3.24Å; I1156-H1160 WeakPolarHBondContact O-CB 3.42Å; I1156-H1160 PolarHBondContact O-N 3.25Å; I1156-I1164 HydrophobicContact CG2-CD1 4.12Å; I1156-I1164 WeakPolarHBondContact O-CD1 3.31Å
1157Y81.4Confident82.2Confident90 Ų9081.6 Ų81.635%0.35341%0.409SS..Hα-helixtrans-65.9-51.2173.8-176.3-97.5000111.7V1153 P1154 V1155 R1159 H1160 Q1161 I1164V1153-Y1157 WeakPolarHBondContact O-CB 3.38Å; V1153-Y1157 PolarHBondContact O-N 3.17Å; P1154-Y1157 PolarHBondContact O-N 3.3Å; V1155-Y1157 VanDerWaalsContact C-N 3.31Å; Y1157-R1159 PolarHBondContact O-N 3.04Å; Y1157-H1160 PolarHBondContact O-N 3.17Å; Y1157-Q1161 HydrophobicContact CE1-CG 4.19Å; Y1157-Q1161 HydrophobicContact CE2-CG 4.22Å; Y1157-Q1161 WeakPolarHBondContact O-CA 3.47Å; Y1157-Q1161 VanDerWaalsContact O-CB 3.28Å; Y1157-Q1161 WeakPolarHBondContact O-CB 3Å; Y1157-Q1161 PolarHBondContact O-N 2.87Å; Y1157-Q1161 PolarHBondContact OH-NE2 3.16Å; Y1157-I1164 HydrophobicContact CD2-CG2 4.17Å
1158E81.8Confident82.1Confident128 Ų12885.2 Ų85.260%0.59843%0.428SS*.Hα-helixtrans-58.4-37.2176.3-173.5175.4-172.900112P1154P1154-E1158 WeakPolarHBondContact O-CB 3.27Å; P1154-E1158 PolarHBondContact O-N 3.46Å
1159R78.8Confident81.9Confident203 Ų20383.8 Ų83.877%0.76643%0.428SS*.Hα-helixtrans-81.1-29.7-178.1-165.2178.4-150.9-169.16.8114.8V1155 I1156 Y1157V1155-R1159 VanDerWaalsContact O-CB 3.24Å; V1155-R1159 WeakPolarHBondContact O-CB 3.33Å; V1155-R1159 PolarHBondContact O-N 3.33Å; I1156-R1159 PolarHBondContact O-N 3.24Å; Y1157-R1159 PolarHBondContact O-N 3.04Å
1160H80.6Confident82Confident65 Ų6584.8 Ų84.830%0.30143%0.428SS..Hα-helixtrans-124.818.5-173.1-64.8-92000113.8I1156 Y1157 A1162 Q1163 I1164I1156-H1160 WeakPolarHBondContact O-CB 3.42Å; I1156-H1160 PolarHBondContact O-N 3.25Å; Y1157-H1160 PolarHBondContact O-N 3.17Å; H1160-A1162 PolarHBondContact O-N 2.94Å; H1160-A1162 VanDerWaalsContact O-N 3.16Å; H1160-Q1163 PolarHBondContact ND1-OE1 2.88Å; H1160-Q1163 WeakPolarHBondContact O-CA 2.98Å; H1160-Q1163 WeakPolarHBondContact O-CB 3.26Å; H1160-Q1163 PolarHBondContact O-N 2.85Å; H1160-I1164 HydrophobicContact CB-CD1 3.76Å; H1160-I1164 HydrophobicContact CB-CG1 4.09Å; H1160-I1164 PolarHBondContact O-N 3.27Å
1161Q77.9Confident82Confident94 Ų9482.5 Ų82.544%0.43942%0.422SS..Hα-helixtrans-42.5-56.8-171.3-170.8179.2-3.300113.7Y1157 Q1163 I1164 D1165Y1157-Q1161 HydrophobicContact CE1-CG 4.19Å; Y1157-Q1161 HydrophobicContact CE2-CG 4.22Å; Y1157-Q1161 WeakPolarHBondContact O-CA 3.47Å; Y1157-Q1161 VanDerWaalsContact O-CB 3.28Å; Y1157-Q1161 WeakPolarHBondContact O-CB 3Å; Y1157-Q1161 PolarHBondContact O-N 2.87Å; Y1157-Q1161 PolarHBondContact OH-NE2 3.16Å; Q1161-Q1163 PolarHBondContact O-N 3.36Å; Q1161-I1164 PolarHBondContact O-N 3.16Å; Q1161-I1164 VanDerWaalsContact O-N 3.16Å; Q1161-D1165 WeakPolarHBondContact CG-OD2 3.21Å; Q1161-D1165 WeakPolarHBondContact O-CB 3.45Å; Q1161-D1165 PolarHBondContact O-N 2.79Å
1162A79.2Confident82.2Confident86 Ų8685.1 Ų85.171%0.71144%0.437SS*.Hα-helixtrans-63.5-24.2-177.500000114.6H1160 H1166H1160-A1162 PolarHBondContact O-N 2.94Å; H1160-A1162 VanDerWaalsContact O-N 3.16Å; A1162-H1166 WeakPolarHBondContact O-CB 3.36Å
1163Q79.5Confident82.7Confident115 Ų11589.3 Ų89.354%0.53745%0.449SS..Hα-helixtrans-82.5-44.9174.3-64174.5-20.800110.4H1160 Q1161 H1166 Y1167H1160-Q1163 PolarHBondContact ND1-OE1 2.88Å; H1160-Q1163 WeakPolarHBondContact O-CA 2.98Å; H1160-Q1163 WeakPolarHBondContact O-CB 3.26Å; H1160-Q1163 PolarHBondContact O-N 2.85Å; Q1161-Q1163 PolarHBondContact O-N 3.36Å; Q1163-H1166 WeakPolarHBondContact O-CB 3.2Å; Q1163-H1166 PolarHBondContact O-N 3.5Å; Q1163-Y1167 WeakPolarHBondContact O-CD2 3.33Å; Q1163-Y1167 PolarHBondContact O-N 2.84Å
1164I82.6Confident82.9Confident53 Ų5389.8 Ų89.827%0.27245%0.449SS..Hα-helixtrans-64.5-44.5178.7-68.1165.8000110.5I1156 Y1157 H1160 Q1161 H1166 Y1167 L1168I1156-I1164 HydrophobicContact CG2-CD1 4.12Å; I1156-I1164 WeakPolarHBondContact O-CD1 3.31Å; Y1157-I1164 HydrophobicContact CD2-CG2 4.17Å; H1160-I1164 HydrophobicContact CB-CD1 3.76Å; H1160-I1164 HydrophobicContact CB-CG1 4.09Å; H1160-I1164 PolarHBondContact O-N 3.27Å; Q1161-I1164 PolarHBondContact O-N 3.16Å; Q1161-I1164 VanDerWaalsContact O-N 3.16Å; I1164-H1166 VanDerWaalsContact C-N 3.26Å; I1164-H1166 PolarHBondContact O-N 3.02Å; I1164-Y1167 PolarHBondContact O-N 3.41Å; I1164-L1168 WeakPolarHBondContact O-CB 3.44Å; I1164-L1168 PolarHBondContact O-N 3Å
1165D84.8Confident83.4Confident64 Ų6492.9 Ų92.934%0.34247%0.468SS..Hα-helixtrans-63.3-31.2176.3-72.7-17.6000112.2Q1161 G1169Q1161-D1165 WeakPolarHBondContact CG-OD2 3.21Å; Q1161-D1165 WeakPolarHBondContact O-CB 3.45Å; Q1161-D1165 PolarHBondContact O-N 2.79Å; D1165-G1169 WeakPolarHBondContact O-CA 3.42Å; D1165-G1169 PolarHBondContact O-N 3.36Å
1166H82.9Confident83.7Confident121 Ų12196.5 Ų96.556%0.5648%0.479SS*.Hα-helixtrans-70.2-46.8173.5-176.5-97.8000112A1162 Q1163 I1164 G1169 L1170A1162-H1166 WeakPolarHBondContact O-CB 3.36Å; Q1163-H1166 WeakPolarHBondContact O-CB 3.2Å; Q1163-H1166 PolarHBondContact O-N 3.5Å; I1164-H1166 VanDerWaalsContact C-N 3.26Å; I1164-H1166 PolarHBondContact O-N 3.02Å; H1166-G1169 PolarHBondContact O-N 3.04Å; H1166-L1170 PolarHBondContact O-N 3.34Å
1167Y81.8Confident84.2Confident165 Ų16596.2 Ų96.265%0.64748%0.479SS*.Hα-helixtrans-69-39.9176.8-74.6-64.7000112.7Q1163 I1164 G1169 L1170 A1171Q1163-Y1167 WeakPolarHBondContact O-CD2 3.33Å; Q1163-Y1167 PolarHBondContact O-N 2.84Å; I1164-Y1167 PolarHBondContact O-N 3.41Å; Y1167-G1169 VanDerWaalsContact C-N 3.32Å; Y1167-L1170 PolarHBondContact O-N 3.26Å; Y1167-A1171 WeakPolarHBondContact O-CB 3.43Å; Y1167-A1171 PolarHBondContact O-N 3.4Å
1168L83.6Confident84.4Confident99 Ų9992.6 Ų92.652%0.51847%0.468SS..Hα-helixtrans-64.4-38.5172.2-177.662.1000110.5I1164 L1170 A1171 N1172I1164-L1168 WeakPolarHBondContact O-CB 3.44Å; I1164-L1168 PolarHBondContact O-N 3Å; L1168-L1170 VanDerWaalsContact C-N 3.32Å; L1168-L1170 PolarHBondContact O-N 3.42Å; L1168-A1171 PolarHBondContact O-N 3.35Å; L1168-N1172 WeakPolarHBondContact O-CB 3.26Å; L1168-N1172 PolarHBondContact O-N 2.67Å
1169G84.2Confident84.5Confident27 Ų2788.3 Ų88.328%0.27845%0.448SS..Hα-helixtrans-62.2-35.5171.300000113.2D1165 H1166 Y1167 K1173D1165-G1169 WeakPolarHBondContact O-CA 3.42Å; D1165-G1169 PolarHBondContact O-N 3.36Å; H1166-G1169 PolarHBondContact O-N 3.04Å; Y1167-G1169 VanDerWaalsContact C-N 3.32Å; G1169-K1173 WeakPolarHBondContact O-CD 3.17Å; G1169-K1173 WeakPolarHBondContact O-CG 3.3Å; G1169-K1173 PolarHBondContact O-N 2.8Å; G1169-K1173 VanDerWaalsContact O-N 3.12Å
1170L86.2Confident84.9Confident80 Ų8081.3 Ų81.342%0.41943%0.434SS..Hα-helixtrans-73.5-44.7173.3-175.560.8000112.1H1166 Y1167 L1168 N1172 K1173 N1174H1166-L1170 PolarHBondContact O-N 3.34Å; Y1167-L1170 PolarHBondContact O-N 3.26Å; L1168-L1170 VanDerWaalsContact C-N 3.32Å; L1168-L1170 PolarHBondContact O-N 3.42Å; L1170-N1172 VanDerWaalsContact C-N 3.34Å; L1170-N1172 PolarHBondContact O-N 2.88Å; L1170-K1173 WeakPolarHBondContact O-CB 3.48Å; L1170-K1173 PolarHBondContact O-N 2.77Å; L1170-N1174 PolarHBondContact O-N 3.25Å
1171A87.8Confident85.1Confident47 Ų4784 Ų8439%0.38844%0.444SS..Hα-helixtrans-60.4-43.617500000111.4Y1167 L1168 K1173 N1174 V1175Y1167-A1171 WeakPolarHBondContact O-CB 3.43Å; Y1167-A1171 PolarHBondContact O-N 3.4Å; L1168-A1171 PolarHBondContact O-N 3.35Å; A1171-K1173 VanDerWaalsContact C-N 3.35Å; A1171-K1173 PolarHBondContact O-N 2.89Å; A1171-N1174 PolarHBondContact O-N 2.96Å; A1171-N1174 VanDerWaalsContact O-N 3.17Å; A1171-V1175 WeakPolarHBondContact O-CB 3.5Å; A1171-V1175 WeakPolarHBondContact O-CG2 3.45Å; A1171-V1175 PolarHBondContact O-N 2.9Å
1172N87.9Confident85.4Confident71 Ų7179.8 Ų79.838%0.3843%0.425SS..Hα-helixtrans-66.7-33.5177.4-164.7-48.5000111.9L1168 L1170 K1176L1168-N1172 WeakPolarHBondContact O-CB 3.26Å; L1168-N1172 PolarHBondContact O-N 2.67Å; L1170-N1172 VanDerWaalsContact C-N 3.34Å; L1170-N1172 PolarHBondContact O-N 2.88Å; N1172-K1176 VanDerWaalsContact O-CB 3.23Å; N1172-K1176 WeakPolarHBondContact O-CB 3.28Å; N1172-K1176 VanDerWaalsContact O-CG 3.27Å; N1172-K1176 WeakPolarHBondContact O-CG 3.19Å; N1172-K1176 PolarHBondContact O-N 2.98Å; N1172-K1176 VanDerWaalsContact OD1-CD 3.31Å; N1172-K1176 WeakPolarHBondContact OD1-CD 3.32Å; N1172-K1176 WeakPolarHBondContact OD1-CE 3.32Å; N1172-K1176 PolarHBondContact OD1-NZ 3.27Å
1173K91.3Very high85.3Confident135 Ų13579.9 Ų79.959%0.58741%0.41SS*.Hα-helixtrans-64-46.6168.1-73.5162-167.6170.60111.6G1169 L1170 A1171 K1176 D1177G1169-K1173 WeakPolarHBondContact O-CD 3.17Å; G1169-K1173 WeakPolarHBondContact O-CG 3.3Å; G1169-K1173 PolarHBondContact O-N 2.8Å; G1169-K1173 VanDerWaalsContact O-N 3.12Å; L1170-K1173 WeakPolarHBondContact O-CB 3.48Å; L1170-K1173 PolarHBondContact O-N 2.77Å; A1171-K1173 VanDerWaalsContact C-N 3.35Å; A1171-K1173 PolarHBondContact O-N 2.89Å; K1173-K1176 PolarHBondContact O-N 2.85Å; K1173-D1177 WeakPolarHBondContact O-CB 3.45Å; K1173-D1177 PolarHBondContact O-N 2.74Å
1174N88.2Confident85.2Confident94 Ų9477.9 Ų77.950%0.50341%0.414SS..Hα-helixtrans-66.5-40.2-179.8-67.5-13.5000112.1L1170 A1171 D1177 A1178L1170-N1174 PolarHBondContact O-N 3.25Å; A1171-N1174 PolarHBondContact O-N 2.96Å; A1171-N1174 VanDerWaalsContact O-N 3.17Å; N1174-D1177 PolarHBondContact O-N 2.86Å; N1174-A1178 WeakPolarHBondContact O-CB 3.5Å; N1174-A1178 PolarHBondContact O-N 2.87Å
1175V89.1Confident84.8Confident84 Ų8483.6 Ų83.651%0.50944%0.437SS..Hα-helixtrans-65.5-37.7172.6171.20000111A1171 M1179A1171-V1175 WeakPolarHBondContact O-CB 3.5Å; A1171-V1175 WeakPolarHBondContact O-CG2 3.45Å; A1171-V1175 PolarHBondContact O-N 2.9Å; V1175-M1179 WeakPolarHBondContact O-CB 3.38Å; V1175-M1179 PolarHBondContact O-N 3.32Å
1176K87.6Confident84.1Confident123 Ų12385.2 Ų85.254%0.53544%0.444SS..Hα-helixtrans-70.6-34.3174.4-81171.1175.2152.40113.8N1172 K1173 A1180N1172-K1176 VanDerWaalsContact O-CB 3.23Å; N1172-K1176 WeakPolarHBondContact O-CB 3.28Å; N1172-K1176 VanDerWaalsContact O-CG 3.27Å; N1172-K1176 WeakPolarHBondContact O-CG 3.19Å; N1172-K1176 PolarHBondContact O-N 2.98Å; N1172-K1176 VanDerWaalsContact OD1-CD 3.31Å; N1172-K1176 WeakPolarHBondContact OD1-CD 3.32Å; N1172-K1176 WeakPolarHBondContact OD1-CE 3.32Å; N1172-K1176 PolarHBondContact OD1-NZ 3.27Å; K1173-K1176 PolarHBondContact O-N 2.85Å; K1176-A1180 VanDerWaalsContact O-CB 3.29Å; K1176-A1180 WeakPolarHBondContact O-CB 3.2Å; K1176-A1180 PolarHBondContact O-N 3.19Å
1177D90.8Very high82.5Confident76 Ų7685 Ų8541%0.40645%0.453SS..Hα-helixtrans-72.4-40174.8173.757.5000111.4K1173 N1174 A1180 K1181K1173-D1177 WeakPolarHBondContact O-CB 3.45Å; K1173-D1177 PolarHBondContact O-N 2.74Å; N1174-D1177 PolarHBondContact O-N 2.86Å; D1177-A1180 PolarHBondContact O-N 3.16Å; D1177-K1181 WeakPolarHBondContact O-CB 3.16Å; D1177-K1181 WeakPolarHBondContact O-CD 3.35Å; D1177-K1181 VanDerWaalsContact O-CG 3.23Å; D1177-K1181 WeakPolarHBondContact O-CG 3.14Å; D1177-K1181 PolarHBondContact O-N 3.25Å; D1177-K1181 VanDerWaalsContact OD1-CE 3.3Å; D1177-K1181 WeakPolarHBondContact OD1-CE 3.21Å; D1177-K1181 IonicContact OD1-NZ 2.69Å; D1177-K1181 VanDerWaalsContact OD2-CE 3.26Å; D1177-K1181 WeakPolarHBondContact OD2-CE 3.43Å; D1177-K1181 IonicContact OD2-NZ 3.69Å; D1177-K1181 PolarHBondContact OD2-NZ 3.3Å
1178A86Confident81.1Confident15 Ų1580.1 Ų80.112%0.12445%0.454CS..Hα-helixtrans-55.3-58.4165.200000110.5N1174 A1180 K1181 I1182N1174-A1178 WeakPolarHBondContact O-CB 3.5Å; N1174-A1178 PolarHBondContact O-N 2.87Å; A1178-A1180 VanDerWaalsContact C-N 3.26Å; A1178-A1180 PolarHBondContact O-N 2.91Å; A1178-K1181 CarbonylContact O-C 3.48Å; A1178-K1181 WeakPolarHBondContact O-CA 3.43Å; A1178-K1181 WeakPolarHBondContact O-CB 3.19Å; A1178-K1181 PolarHBondContact O-N 2.73Å; A1178-I1182 HydrophobicContact CB-CD1 4.32Å; A1178-I1182 WeakPolarHBondContact O-CD1 3.4Å; A1178-I1182 WeakPolarHBondContact O-CG1 3.15Å; A1178-I1182 PolarHBondContact O-N 3.18Å
1179M84.7Confident79.4Confident38 Ų3881.9 Ų81.919%0.18746%0.463CS..Hα-helixtrans-49.3-41.8175.9162.4171.5171.600113.6T270 V271 N272 V1175 I1182 Q1183T270-M1179 HydrophobicContact CG2-CB 4.28Å; T270-M1179 WeakPolarHBondContact OG1-CA 3.24Å; T270-M1179 WeakPolarHBondContact OG1-CB 3.34Å; T270-M1179 WeakPolarHBondContact OG1-CG 3.19Å; V271-M1179 HydrophobicContact CB-CE 3.82Å; V271-M1179 HydrophobicContact CB-SD 4.05Å; V271-M1179 HydrophobicContact CG1-CE 3.34Å; V271-M1179 HydrophobicContact CG1-SD 3.98Å; N272-M1179 WeakPolarHBondContact ND2-CE 3.48Å; V1175-M1179 WeakPolarHBondContact O-CB 3.38Å; V1175-M1179 PolarHBondContact O-N 3.32Å; M1179-I1182 PolarHBondContact O-N 2.67Å; M1179-Q1183 VanDerWaalsContact O-CB 3.29Å; M1179-Q1183 WeakPolarHBondContact O-CB 3.42Å; M1179-Q1183 PolarHBondContact O-N 2.61Å
1180A86.3Confident77.6Confident56 Ų5689.9 Ų89.946%0.46349%0.49SS..Hα-helixtrans-70.1-44.6175.800000112.6K1176 D1177 A1178 I1182 Q1183 A1184K1176-A1180 VanDerWaalsContact O-CB 3.29Å; K1176-A1180 WeakPolarHBondContact O-CB 3.2Å; K1176-A1180 PolarHBondContact O-N 3.19Å; D1177-A1180 PolarHBondContact O-N 3.16Å; A1178-A1180 VanDerWaalsContact C-N 3.26Å; A1178-A1180 PolarHBondContact O-N 2.91Å; A1180-I1182 PolarHBondContact O-N 3.48Å; A1180-Q1183 PolarHBondContact O-N 3.5Å; A1180-A1184 WeakPolarHBondContact O-CB 3.49Å; A1180-A1184 PolarHBondContact O-N 3.38Å
1181K84.6Confident75.7Confident120 Ų12091.5 Ų91.552%0.52249%0.491SS..Hα-helixtrans-57.7-31173.8-75.5163.4177.7169.30111.7D1177 A1178 K1185D1177-K1181 WeakPolarHBondContact O-CB 3.16Å; D1177-K1181 WeakPolarHBondContact O-CD 3.35Å; D1177-K1181 VanDerWaalsContact O-CG 3.23Å; D1177-K1181 WeakPolarHBondContact O-CG 3.14Å; D1177-K1181 PolarHBondContact O-N 3.25Å; D1177-K1181 VanDerWaalsContact OD1-CE 3.3Å; D1177-K1181 WeakPolarHBondContact OD1-CE 3.21Å; D1177-K1181 IonicContact OD1-NZ 2.69Å; D1177-K1181 VanDerWaalsContact OD2-CE 3.26Å; D1177-K1181 WeakPolarHBondContact OD2-CE 3.43Å; D1177-K1181 IonicContact OD2-NZ 3.69Å; D1177-K1181 PolarHBondContact OD2-NZ 3.3Å; A1178-K1181 CarbonylContact O-C 3.48Å; A1178-K1181 WeakPolarHBondContact O-CA 3.43Å; A1178-K1181 WeakPolarHBondContact O-CB 3.19Å; A1178-K1181 PolarHBondContact O-N 2.73Å; K1181-K1185 WeakPolarHBondContact O-CD 3.44Å; K1181-K1185 PolarHBondContact O-N 3.01Å; K1181-K1185 VanDerWaalsContact O-N 3.11Å
1182I83.6Confident73.4Confident6 Ų698.9 Ų98.93%0.03151%0.514CS..Hα-helixtrans-83.9-46.2179.5-59.2145.7000112.1Q268 E269 A1178 M1179 A1180 A1184 K1185 I1186Q268-I1182 HydrophobicContact CB-CD1 3.26Å; Q268-I1182 HydrophobicContact CB-CG1 3.63Å; Q268-I1182 HydrophobicContact CG-CD1 3.36Å; Q268-I1182 HydrophobicContact CG-CG1 4.26Å; Q268-I1182 WeakPolarHBondContact O-CG2 3.15Å; E269-I1182 HydrophobicContact CB-CD1 4.17Å; E269-I1182 WeakPolarHBondContact O-CB 3.44Å; E269-I1182 WeakPolarHBondContact O-CD1 3.42Å; E269-I1182 WeakPolarHBondContact O-CG2 3.2Å; A1178-I1182 HydrophobicContact CB-CD1 4.32Å; A1178-I1182 WeakPolarHBondContact O-CD1 3.4Å; A1178-I1182 WeakPolarHBondContact O-CG1 3.15Å; A1178-I1182 PolarHBondContact O-N 3.18Å; M1179-I1182 PolarHBondContact O-N 2.67Å; A1180-I1182 PolarHBondContact O-N 3.48Å; I1182-A1184 PolarHBondContact O-N 3.3Å; I1182-A1184 VanDerWaalsContact O-N 3.08Å; I1182-K1185 CarbonylContact O-C 3.53Å; I1182-K1185 WeakPolarHBondContact O-CA 3.39Å; I1182-K1185 PolarHBondContact O-N 2.9Å; I1182-I1186 HydrophobicContact CG2-CD1 3.56Å; I1182-I1186 HydrophobicContact CG2-CG1 3.89Å; I1182-I1186 PolarHBondContact O-N 3.29Å
1183Q77.1Confident71.2Confident88 Ų88100.4 Ų100.441%0.41154%0.536SS..Hα-helixtrans-60.5-22.2175.5-169.3143.561.500111.1V271 M1179 A1180V271-Q1183 PolarHBondContact O-NE2 2.99Å; M1179-Q1183 VanDerWaalsContact O-CB 3.29Å; M1179-Q1183 WeakPolarHBondContact O-CB 3.42Å; M1179-Q1183 PolarHBondContact O-N 2.61Å; A1180-Q1183 PolarHBondContact O-N 3.5Å
1184A78.2Confident68.3Low73 Ų73106.8 Ų106.860%0.60357%0.568SS**Hα-helixtrans-80.8-29.3165.200000115.3A1180 I1182A1180-A1184 WeakPolarHBondContact O-CB 3.49Å; A1180-A1184 PolarHBondContact O-N 3.38Å; I1182-A1184 PolarHBondContact O-N 3.3Å; I1182-A1184 VanDerWaalsContact O-N 3.08Å
1185K75.3Confident67.4Low174 Ų174107.4 Ų107.476%0.75757%0.571SS**Hα-helixtrans-79.5-22.4172.6-109.277179.2-170.50114.1K1181 I1182 P1187K1181-K1185 WeakPolarHBondContact O-CD 3.44Å; K1181-K1185 PolarHBondContact O-N 3.01Å; K1181-K1185 VanDerWaalsContact O-N 3.11Å; I1182-K1185 CarbonylContact O-C 3.53Å; I1182-K1185 WeakPolarHBondContact O-CA 3.39Å; I1182-K1185 PolarHBondContact O-N 2.9Å; K1185-P1187 WeakPolarHBondContact O-CD 2.99Å
1186I69.3Low66.2Low98 Ų98108.6 Ų108.650%0.50358%0.575SS.*SBendtrans-11563.2177.9-46.7179000109.8I1182 G1188I1182-I1186 HydrophobicContact CG2-CD1 3.56Å; I1182-I1186 HydrophobicContact CG2-CG1 3.89Å; I1182-I1186 PolarHBondContact O-N 3.29Å; I1186-G1188 VanDerWaalsContact C-N 3.31Å; I1186-G1188 PolarHBondContact O-N 3.33Å
1187P49Very low65Low115 Ų115107.8 Ų107.875%0.74758%0.577SS**THydrogen-bonded Turntrans-7676.3-176.334.2-38.2000111.7K1185K1185-P1187 WeakPolarHBondContact O-CD 2.99Å
1188G51.9Low63.5Low64 Ų64109.7 Ų109.766%0.6659%0.587SS**THydrogen-bonded Turntrans-156.7-53.5179.600000115.6I1186 K1190I1186-G1188 VanDerWaalsContact C-N 3.31Å; I1186-G1188 PolarHBondContact O-N 3.33Å; G1188-K1190 VanDerWaalsContact C-N 3.34Å; G1188-K1190 PolarHBondContact O-N 2.72Å
1189L48.6Very low62.1Low136 Ų136115.6 Ų115.671%0.71262%0.616SS**  trans-84.970.2-164.2-155.873000113.9R1191L1189-R1191 HydrophobicContact CG-CG 4.45Å; L1189-R1191 PolarHBondContact O-N 2.88Å
1190K47.2Very low60.6Low195 Ų195120.8 Ų120.885%0.84864%0.644SS**  trans-62.495.3161.3-69.9-175.5179.1-178.90109.4G1188 K1192G1188-K1190 VanDerWaalsContact C-N 3.34Å; G1188-K1190 PolarHBondContact O-N 2.72Å; K1190-K1192 PolarHBondContact O-N 2.78Å
1191R44.6Very low58.8Low114 Ų114125.4 Ų125.443%0.4366%0.657SS.*PPolyproline II helixtrans-66131169.2-49.8-166.2-149.7159.514.1108N272 E273 L1189N272-R1191 VanDerWaalsContact O-CB 3.3Å; N272-R1191 WeakPolarHBondContact O-CB 3.18Å; N272-R1191 WeakPolarHBondContact O-CD 3.34Å; N272-R1191 VanDerWaalsContact O-CG 3.23Å; N272-R1191 WeakPolarHBondContact O-CG 3.32Å; N272-R1191 PolarHBondContact O-NE 3.33Å; E273-R1191 VanDerWaalsContact CA-NH1 3.27Å; E273-R1191 WeakPolarHBondContact O-CD 3.31Å; E273-R1191 PolarHBondContact O-NH1 3.36Å; E273-R1191 IonicContact OE2-CZ 3.64Å; E273-R1191 VanDerWaalsContact OE2-CZ 3.28Å; E273-R1191 IonicContact OE2-NH1 2.63Å; E273-R1191 PolarHBondContact OE2-NH1 2.94Å; E273-R1191 IonicContact OE2-NH2 3.57Å; E273-R1191 PolarHBondContact OE2-NH2 3.46Å; E273-R1191 VanDerWaalsContact OE2-NH2 3.07Å; L1189-R1191 HydrophobicContact CG-CG 4.45Å; L1189-R1191 PolarHBondContact O-N 2.88Å
1192K40Very low56.8Low202 Ų202125.8 Ų125.888%0.87867%0.668SS**PPolyproline II helixtrans-79.3128172.8-64.6177-178.1174.50107.4K1190K1190-K1192 PolarHBondContact O-N 2.78Å
1193A41.9Very low54.6Low102 Ų102135.8 Ų135.884%0.84372%0.721SS**PPolyproline II helixtrans-83.6146.1162.300000109.2
1194E31.6Very low52.5Low269 Ų269140.2 Ų140.2100%1.25775%0.749SS**  trans-124.50166.8-176170.5176.100107.7

Retrieved 1,194 of 1,194 residues in 405.5 ms (Link to these results)