A0A3Q0KFP0_SCHMA Loading...

ALMS_motif domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KFP0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 936 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M37.5Very low34.6Very low240 Ų240179.1 Ų179.1100%1.18288%0.879SS**  0162.80-89.8174.8161.200109.5
2S34.6Very low34.6Very low118 Ų118179.8 Ų179.883%0.82587%0.874SS**  trans-51.7126.1-165.3-390000116.6
3F28.7Very low34.9Very low207 Ų207175.9 Ų175.991%0.90887%0.871SS**  trans-71.4122.1154.1-85.4-99.6000108.8
4N37.6Very low34.9Very low150 Ų150173.4 Ų173.480%0.80287%0.87SS**  trans-10590.6179.7-154.7-8.5000111.8N6N4-N6 PolarHBondContact O-N 3.13Å; N4-N6 VanDerWaalsContact O-N 3.16Å
5K33.1Very low34.5Very low192 Ų192166.2 Ų166.284%0.83586%0.857SS**  trans-69.498.1174.4-66174.7177.4177.50110.3
6N37.4Very low34.4Very low145 Ų145169.7 Ų169.778%0.77586%0.858SS**  trans-17265.3160.9-102.9-38.8000115.5N4N4-N6 PolarHBondContact O-N 3.13Å; N4-N6 VanDerWaalsContact O-N 3.16Å
7I36.7Very low34.1Very low178 Ų178172.4 Ų172.491%0.91386%0.862SS**  trans-132.977.7164.1-50.5-179.2000110
8S33Very low34.2Very low115 Ų115171.2 Ų171.280%0.80486%0.857SS**  trans-147.855.6176.6-166.70000111.8
9K35.1Very low34.2Very low190 Ų190167 Ų16783%0.82685%0.852SS**  trans-141.917.6-178.7-74.7-162175.5-1790116.4
10F34.9Very low34Very low203 Ų203165 Ų16589%0.8985%0.851SS**  trans-140.279.3175.9-80-73.3000114.4
11Y31.9Very low34Very low232 Ų232165 Ų16591%0.9185%0.847SS**  trans-159.6125.2140.3-120.7-79000109.7
12K35Very low33.8Very low187 Ų187161.5 Ų161.581%0.81383%0.83SS**PPolyproline II helixtrans-92.8119.1171-74.6-176177.3-179.40109.1V14K12-V14 PolarHBondContact O-N 3.17Å
13P37.9Very low33.6Very low130 Ų130160 Ų16084%0.84483%0.825SS**PPolyproline II helixtrans-75.1117.2161.623-16.1000108.5
14V35.2Very low33.7Very low141 Ų141158 Ų15886%0.85582%0.823SS**PPolyproline II helixtrans-87.9128.4175.2175.40000109K12K12-V14 PolarHBondContact O-N 3.17Å
15G29.2Very low33.4Very low65 Ų65160.4 Ų160.467%0.6782%0.82SS**  trans97.650.9154.400000118.3
16Y32.2Very low33.5Very low222 Ų222156.5 Ų156.587%0.87181%0.809SS**  trans-114.1119.4151.2-88-89.1000110.3I18Y16-I18 PolarHBondContact O-N 2.8Å
17K30.6Very low33Very low216 Ų216155.6 Ų155.694%0.93981%0.812SS**  trans-84.2101.9168.8-76-177.2175.3-1790108.5
18I35.7Very low33Very low150 Ų150155.7 Ų155.777%0.76981%0.809SS**PPolyproline II helixtrans-99.1126.2159.9-59.2177.2000106Y16Y16-I18 PolarHBondContact O-N 2.8Å
19A32.9Very low33Very low92 Ų92157.1 Ų157.176%0.7681%0.807SS**PPolyproline II helixtrans-75.9129.1178.900000109.8
20P31.1Very low33Very low127 Ų127152.1 Ų152.183%0.82580%0.795SS**PPolyproline II helixtrans-92.2117.117533.5-28.8000110.3
21E34Very low32.9Very low166 Ų166148.9 Ų148.978%0.77679%0.786SS**  trans-147.7152.5166.4-144.7172.1-175.300112
22M33.8Very low33Very low165 Ų165144 Ų14481%0.81378%0.775SS**  trans62.969.7171.8-46-166-164.800115.8
23A29.8Very low32.9Very low87 Ų87137.6 Ų137.672%0.71975%0.753SS**  trans-79.8163.2153.100000110.9
24L31.3Very low32.6Very low165 Ų165139 Ų13986%0.86475%0.753SS**  trans71.7136.6179.6-46.7165.4000112.1
25R30.8Very low32.6Very low200 Ų200138 Ų13876%0.75575%0.752SS**  cis-141.8157.734.2-101.3-172.5165.4-85.9-2.9115.1
26D34.4Very low33Very low110 Ų110147.2 Ų147.259%0.58877%0.767SS**  trans5788.8144.4-48.5-11.5000117.9
27C26.8Very low33.1Very low126 Ų126139.4 Ų139.485%0.85175%0.754SS**  trans-74.4139144.9-60.40000108.9
28E38.3Very low33.4Very low180 Ų180139.1 Ų139.184%0.84175%0.753SS**  trans-123.9151.7160.5-83.3-75.7154.800107.2
29D33Very low33.1Very low145 Ų145137 Ų13778%0.77575%0.751SS**  trans-84.5159.4-147.6-84.2-46.4000116.7
30P33.8Very low33.3Very low86 Ų86137.2 Ų137.256%0.55875%0.748SS**  trans-70.7158.8165.833.8-36.7000111.5
31L34.4Very low33.4Very low135 Ų135138.5 Ų138.571%0.70775%0.747SS**  trans172.6125.4145.9-99.7164.4000110.1E598L31-E598 WeakPolarHBondContact CD2-OE2 3.43Å; L31-E598 WeakPolarHBondContact CG-OE2 3.46Å
32N34Very low33.7Very low129 Ų129135.2 Ų135.269%0.6974%0.74SS**  147.1112.9116.9-167.921.4000113.4
33P31.9Very low33.8Very low52 Ų52139.1 Ų139.134%0.33875%0.746SS.*  trans-71.9172.4174.522.1-27.5000114.2D597P33-D597 WeakPolarHBondContact CA-OD2 3.39Å; P33-D597 HydrophobicContact CB-CB 4.41Å; P33-D597 WeakPolarHBondContact CB-OD2 3.49Å; P33-D597 VanDerWaalsContact CD-OD2 3.27Å; P33-D597 WeakPolarHBondContact CD-OD2 3.24Å; P33-D597 HydrophobicContact CG-CB 4.21Å; P33-D597 VanDerWaalsContact N-OD2 3.13Å
34N31.7Very low34.1Very low159 Ų159139.9 Ų139.985%0.8575%0.747SS**  trans63.882158.5-62.2-42000118.2
35S35.2Very low34.7Very low120 Ų120136.6 Ų136.684%0.83974%0.735SS**  trans-146.963153.652.10000114.3G37S35-G37 PolarHBondContact O-N 3.39Å
36R37.8Very low34.8Very low259 Ų259135.1 Ų135.198%0.97773%0.734SS**  trans-76105.7154-89.3-164.2178.4-158.71.1108.6
37G34.9Very low34.8Very low58 Ų58135.6 Ų135.660%0.59874%0.737SS**  trans-72.9176.6175.300000114S35S35-G37 PolarHBondContact O-N 3.39Å
38F35.1Very low35.1Very low211 Ų211139.3 Ų139.393%0.92573%0.733SS**  trans82.170.9164.2-51.8-68.9000119.1
39S30.6Very low34.9Very low104 Ų104138.3 Ų138.373%0.72773%0.733SS**  -46154.2120-166.50000110.9
40S35.9Very low34.8Very low98 Ų98134.6 Ų134.669%0.68573%0.728SS**  cis-154.9164.715.8-16.40000107.3
41D34.5Very low34.7Very low153 Ų153134.9 Ų134.982%0.81874%0.738SS**  -175.7159.273.6-146.726.3000110.9
42P39.1Very low34.7Very low97 Ų97134.8 Ų134.863%0.6374%0.743SS**  trans-113.2161.1-17839.6-30.4000114.1
43R36.8Very low34.7Very low247 Ų247134.1 Ų134.193%0.93275%0.748SS**  trans-178.1152.1135.1-100.9151.1-174.2-173.72.4114.6
44S35.2Very low34.7Very low104 Ų104134.7 Ų134.773%0.72776%0.764SS**  trans-84.3-162.3164.363.30000108.8
45P44.4Very low34.9Very low95 Ų95134.9 Ų134.962%0.61776%0.764SS**  cis-145.8-16713.722.97.5000116.6
46F33.1Very low35Very low170 Ų170135.2 Ų135.275%0.74676%0.756SS**  trans95.6113.6145.3-73.4-50.3000122.1
47N35.1Very low35Very low119 Ų119129.1 Ų129.164%0.63674%0.743SS**  98.7117.9119.3-80.2-26.8000121.7
48R33.2Very low35.1Very low204 Ų204132 Ų13277%0.7775%0.749SS**  80.7119.8129.5-73.2179.2179-139.9-0.6120
49L33.8Very low35.3Very low160 Ų160128.5 Ų128.584%0.83874%0.74SS**  trans64137.5133.5-54.8166.8000117.8
50G30Very low35.7Very low66 Ų66128.3 Ų128.368%0.6874%0.735SS**  cis148.4130.7-7.100000113.5
51A32Very low35.7Very low93 Ų93133.1 Ų133.177%0.76974%0.744SS**  trans70.9162.1161.300000120
52T34.9Very low35.8Very low132 Ų132129.1 Ų129.181%0.8174%0.738SS**  trans83.7125.1164.766.60000119.4
53S33.8Very low35.6Very low115 Ų115130.3 Ų130.380%0.80474%0.744SS**  trans18.6140.8147.553.10000120.6
54G30.6Very low35.5Very low64 Ų64128.8 Ų128.866%0.6674%0.739SS**  cis121.5172.219.200000110.4
55L36.9Very low35.3Very low163 Ų163128.5 Ų128.585%0.85373%0.729SS**  trans70.6145.2-172.9-48.5175.5000114.5
56D36.9Very low34.8Very low127 Ų127131.6 Ų131.668%0.67974%0.735SS**  cis-165175.9-34.9-129-35.8000111.6
57N38.4Very low34.9Very low131 Ų131128.6 Ų128.670%0.70173%0.731SS**  trans77.7122.7158.9-57.2-41.2000121.2
58T37.9Very low34.7Very low118 Ų118128.8 Ų128.872%0.72474%0.736SS**  trans45.2133.8135.559.40000120.1
59D38.8Very low34.4Very low138 Ų138123 Ų12374%0.73873%0.732SS**  cis-164168.425.2-110.8-27.9000108.8
60T39.2Very low34.5Very low101 Ų101122.5 Ų122.562%0.6273%0.73SS**  cis-158.6155.3-24.3-128.90000107.5
61F34.7Very low34.5Very low199 Ų199127.6 Ų127.687%0.87374%0.736SS**  trans7143.3169.2-62.9-102.8000121.4
62G37.9Very low34.5Very low68 Ų68130.1 Ų130.170%0.70174%0.742SS**  cis-148.8171.721.600000114.6
63T34.8Very low34.4Very low123 Ų123131.6 Ų131.676%0.75574%0.74SS**  trans-138.9176.3-16763.40000111.2
64R33.5Very low34.2Very low215 Ų215135.7 Ų135.781%0.81174%0.743SS**  trans73.7152.5154-76.6-173.5159.2165.5-3.3116
65N32.3Very low34.4Very low97 Ų97136.1 Ų136.152%0.51975%0.748SS.*  cis-167.2170.1-3.8-127.41.3000112.7
66Q33.7Very low34.2Very low160 Ų160136.8 Ų136.875%0.74875%0.751SS**  trans65.4163.2141.6-76.5161.4-35.900118.1
67T34.1Very low34Very low108 Ų108136.6 Ų136.666%0.66376%0.76SS**  cis-152.9135.4-8.5-108.90000105.3
68V30.7Very low33.8Very low122 Ų122138 Ų13874%0.73977%0.767SS**  81.2118.552.7175.30000114.1
69A28.2Very low33.8Very low83 Ų83142 Ų14269%0.68678%0.778SS**  trans79.7133.8150.500000123.1
70N34.3Very low33.4Very low150 Ų150140.9 Ų140.980%0.80278%0.781SS**  trans97.3138.7134.6-70.89.7000124
71E30Very low33.1Very low173 Ų173141.4 Ų141.481%0.80879%0.789SS**  trans-65152.9177.8-50.1147.8112.300113.9
72V33.7Very low33Very low146 Ų146136.5 Ų136.589%0.88578%0.779SS**  trans-149.1143.9135.4164.10000108.1
73Q31.4Very low32.5Very low163 Ų163139.7 Ų139.776%0.76279%0.785SS**  trans-103.9-173.7176.4-165.2173.8-3.400110.9
74F30.3Very low32.3Very low200 Ų200138 Ų13888%0.87778%0.779SS**  trans79.5146.7-180-48.9-78.9000114.5
75G33.9Very low32.1Very low74 Ų74135.5 Ų135.576%0.76378%0.781SS**  cis-159.4174.9100000113.1
76L32.8Very low31.9Very low176 Ų176135.3 Ų135.392%0.92179%0.786SS**  trans-77.3153.9-179-61.6166.3000112.5
77S33.6Very low31.7Very low124 Ų124133 Ų13387%0.86779%0.788SS**  trans-172144.7134.7-91.90000110.8
78D33.6Very low31.5Very low159 Ų159133.3 Ų133.385%0.8580%0.795SS**  trans-83.1157.6177.4-50.4-91.1000112.7
79E37.9Very low31.4Very low202 Ų202131.5 Ų131.594%0.94479%0.788SS**  -157.2165.7125.8-119.9-175.9158.800111.4
80S30.2Very low31.5Very low116 Ų116132.4 Ų132.481%0.81179%0.789SS**  trans-139.7129.4-164.559.90000114.9
81S34.5Very low31.4Very low111 Ų111132.3 Ų132.378%0.77679%0.788SS**  trans-168.3110.816323.70000107.8
82S32.3Very low31.6Very low97 Ų97131 Ų13168%0.67879%0.786SS**  71.5114.966.976.50000114
83T27.7Very low31.4Very low134 Ų134133.3 Ų133.382%0.82279%0.79SS**  trans63147.2159.453.20000117.6
84S28.5Very low31.5Very low88 Ų88130.2 Ų130.262%0.61579%0.786SS**  cis-174.6172.1-1048.80000108.5
85L30.6Very low31.4Very low163 Ų163126.2 Ų126.285%0.85378%0.782SS**  trans68.6160.3170.8-49.8177.3000113.7
86S28.7Very low31.3Very low92 Ų92127.5 Ų127.564%0.64378%0.78SS**  cis-169.3148.9-27.751.90000110.6
87S28.6Very low31.3Very low112 Ų112125.9 Ų125.978%0.78378%0.777SS**  trans69.3155.4153.8-55.60000119
88S30.4Very low31.5Very low115 Ų115125.6 Ų125.680%0.80477%0.77SS**  trans64.8153.7171.3-1000000117.5
89S28.6Very low31.6Very low84 Ų84125.4 Ų125.459%0.58776%0.764SS**  cis177.6143.5-35.246.10000107.4
90S29.3Very low31.4Very low101 Ų101118.9 Ų118.971%0.70675%0.751SS**  trans59.8165.5179.2300000114.9
91D32.6Very low32.1Very low148 Ų148121.1 Ų121.179%0.79175%0.746SS**  trans65.5133.7174.1-49.7-31.7000115.1
92L34.8Very low32.3Very low145 Ų145120.2 Ų120.276%0.75974%0.739SS**  cis-130.1148.26.9-68.9164.4000111.2S94L92-S94 PolarHBondContact O-N 3.37Å
93M29.3Very low32.7Very low196 Ų196119.5 Ų119.597%0.96673%0.733SS**  trans-72.8106.6154.4-82.5-75.7-73.900108
94S32.9Very low33.5Very low98 Ų98120.5 Ų120.569%0.68573%0.728SS**  trans-150.4127.2174.3-75.30000110.2L92 S96L92-S94 PolarHBondContact O-N 3.37Å; S94-S96 PolarHBondContact O-N 3.45Å
95S27.9Very low34.3Very low115 Ų115123.7 Ų123.780%0.80473%0.734SS**  trans-84.4113.3-170.453.50000112.6
96S32.6Very low35Very low101 Ų101121.9 Ų121.971%0.70672%0.721SS**  trans-94.8100.7158.855.50000109.7S94 T98S94-S96 PolarHBondContact O-N 3.45Å; S96-T98 PolarHBondContact O-N 3.25Å
97V32Very low35.9Very low143 Ų143123.5 Ų123.587%0.86772%0.721SS**  trans-76.488.7174.2-179.10000109.1
98T38Very low37.2Very low117 Ų117121.1 Ų121.172%0.71871%0.705SS**  trans-96.8128.8167.453.90000109.3S96 G100S96-T98 PolarHBondContact O-N 3.25Å; T98-G100 PolarHBondContact O-N 3.42Å
99E36.6Very low38.5Very low156 Ų156120.8 Ų120.873%0.72969%0.693SS**  trans-51.2119.2-166.4-60.1-168.9139.900114.9K101E99-K101 PolarHBondContact O-N 2.8Å; E99-K101 IonicContact OE2-NZ 2.78Å; E99-K101 PolarHBondContact OE2-NZ 2.96Å
100G34.2Very low40.8Very low65 Ų65121.3 Ų121.367%0.6769%0.693SS**  trans-76.872-176.400000114.8T98T98-G100 PolarHBondContact O-N 3.42Å
101K45.3Very low43.2Very low162 Ų162125.2 Ų125.270%0.70469%0.692SS**  trans-91.1-4.6171.3-75.5168.1-178.6141.50114.5E99E99-K101 PolarHBondContact O-N 2.8Å; E99-K101 IonicContact OE2-NZ 2.78Å; E99-K101 PolarHBondContact OE2-NZ 2.96Å
102C38Very low45.4Very low93 Ų93123 Ų12363%0.62868%0.677SS**SBendtrans-90.6-18.7-176.9-169.80000114.1
103C40.6Very low47.8Very low81 Ų81119.9 Ų119.955%0.54766%0.66SS.*Hα-helixtrans-80.8-23-170.8-58.60000114.6L107C103-L107 WeakPolarHBondContact O-CG 3.38Å; C103-L107 PolarHBondContact O-N 3.37Å; C103-L107 VanDerWaalsContact O-N 3.13Å
104E43.5Very low50.3Low156 Ų156113.2 Ų113.273%0.72964%0.636SS**Hα-helixtrans-75-33.8-170.6-165.9164.2-160.200113S108E104-S108 WeakPolarHBondContact O-CB 3.44Å; E104-S108 PolarHBondContact O-N 3.25Å; E104-S108 PolarHBondContact O-OG 3.28Å
105E45.8Very low52.9Low155 Ų155111.8 Ų111.872%0.72462%0.62SS**Hα-helixtrans-67.2-40174-64-169.515600111.9S108 L109E105-S108 WeakPolarHBondContact CA-OG 3.46Å; E105-S108 PolarHBondContact O-N 3.23Å; E105-S108 PolarHBondContact O-OG 3.36Å; E105-S108 VanDerWaalsContact O-OG 3.09Å; E105-L109 WeakPolarHBondContact O-CB 3.05Å; E105-L109 PolarHBondContact O-N 3.26Å
106H45.8Very low55.8Low125 Ų125112.9 Ų112.958%0.57961%0.606SS**Hα-helixtrans-68.1-40.5176.3-77.9-72.4000112.8T110H106-T110 WeakPolarHBondContact O-CB 3.4Å; H106-T110 PolarHBondContact O-N 3.39Å; H106-T110 VanDerWaalsContact O-N 3.09Å; H106-T110 PolarHBondContact O-OG1 3.19Å
107L48.1Very low58.6Low125 Ų125111.2 Ų111.265%0.65459%0.589SS**Hα-helixtrans-65.7-41.8174.8-75.3170.8000112C103 T110 R111C103-L107 WeakPolarHBondContact O-CG 3.38Å; C103-L107 PolarHBondContact O-N 3.37Å; C103-L107 VanDerWaalsContact O-N 3.13Å; L107-T110 PolarHBondContact O-N 2.77Å; L107-R111 WeakPolarHBondContact O-CB 3.25Å; L107-R111 PolarHBondContact O-N 3.11Å
108S54.8Low61.4Low63 Ų63109.3 Ų109.344%0.44157%0.574SS.*Hα-helixtrans-70.4-3817952.10000113E104 E105 R111 E112E104-S108 WeakPolarHBondContact O-CB 3.44Å; E104-S108 PolarHBondContact O-N 3.25Å; E104-S108 PolarHBondContact O-OG 3.28Å; E105-S108 WeakPolarHBondContact CA-OG 3.46Å; E105-S108 PolarHBondContact O-N 3.23Å; E105-S108 PolarHBondContact O-OG 3.36Å; E105-S108 VanDerWaalsContact O-OG 3.09Å; S108-R111 PolarHBondContact O-N 3.42Å; S108-E112 WeakPolarHBondContact O-CB 3.18Å; S108-E112 PolarHBondContact O-N 3.47Å
109L58.6Low64Low108 Ų108110.8 Ų110.857%0.56557%0.57SS**Hα-helixtrans-61.1-43.5171.1-179.762.1000112.1E105 E112 M113E105-L109 WeakPolarHBondContact O-CB 3.05Å; E105-L109 PolarHBondContact O-N 3.26Å; L109-E112 WeakPolarHBondContact O-CB 3.07Å; L109-E112 PolarHBondContact O-N 3.3Å; L109-M113 PolarHBondContact O-N 2.85Å
110T76.8Confident66.6Low94 Ų94108.8 Ų108.858%0.57756%0.56SS**Hα-helixtrans-64.2-42.1176.8-56.20000111.3H106 L107 M113 A114H106-T110 WeakPolarHBondContact O-CB 3.4Å; H106-T110 PolarHBondContact O-N 3.39Å; H106-T110 VanDerWaalsContact O-N 3.09Å; H106-T110 PolarHBondContact O-OG1 3.19Å; L107-T110 PolarHBondContact O-N 2.77Å; T110-M113 PolarHBondContact O-N 3.05Å; T110-A114 WeakPolarHBondContact O-CB 3.37Å; T110-A114 PolarHBondContact O-N 3.45Å
111R79.2Confident69.2Low183 Ų183109.2 Ų109.269%0.69154%0.542SS*.Hα-helixtrans-64.8-43.4176.1-174.2177.5-177.8-122.83.4112.5L107 S108 A114 I115L107-R111 WeakPolarHBondContact O-CB 3.25Å; L107-R111 PolarHBondContact O-N 3.11Å; S108-R111 PolarHBondContact O-N 3.42Å; R111-A114 PolarHBondContact O-N 3.03Å; R111-I115 HydrophobicContact CG-CD1 4.01Å; R111-I115 WeakPolarHBondContact O-CB 3.37Å; R111-I115 WeakPolarHBondContact O-CD1 3.33Å; R111-I115 VanDerWaalsContact O-CG1 3.25Å; R111-I115 WeakPolarHBondContact O-CG1 3.46Å; R111-I115 PolarHBondContact O-N 2.7Å
112E79.5Confident71.4Confident101 Ų101105.6 Ų105.647%0.47253%0.534SS..Hα-helixtrans-55.5-49.4171.7-91.2-92.1146.400111.1S108 L109 I115 R116S108-E112 WeakPolarHBondContact O-CB 3.18Å; S108-E112 PolarHBondContact O-N 3.47Å; L109-E112 WeakPolarHBondContact O-CB 3.07Å; L109-E112 PolarHBondContact O-N 3.3Å; E112-I115 PolarHBondContact O-N 3.3Å; E112-R116 VanDerWaalsContact O-CG 3.32Å; E112-R116 WeakPolarHBondContact O-CG 3.38Å; E112-R116 PolarHBondContact O-N 2.72Å; E112-R116 IonicContact OE2-CZ 3.39Å; E112-R116 IonicContact OE2-NE 3.3Å; E112-R116 PolarHBondContact OE2-NE 2.85Å; E112-R116 IonicContact OE2-NH2 3.37Å; E112-R116 PolarHBondContact OE2-NH2 3.3Å
113M84.5Confident74Confident80 Ų80106.7 Ų106.739%0.39453%0.528SS..Hα-helixtrans-65.7-40.9-179.4-169.6160.7179.700112.3L109 T110 I115 R116 L117 T840L109-M113 PolarHBondContact O-N 2.85Å; T110-M113 PolarHBondContact O-N 3.05Å; M113-I115 PolarHBondContact O-N 2.72Å; M113-R116 PolarHBondContact O-N 2.95Å; M113-L117 HydrophobicContact CG-CD1 4.3Å; M113-L117 WeakPolarHBondContact O-CG 3.22Å; M113-L117 PolarHBondContact O-N 2.71Å; M113-T840 HydrophobicContact CE-CG2 4.09Å
114A81.6Confident76.4Confident56 Ų56106.5 Ų106.546%0.46352%0.521SS..Hα-helixtrans-60.5-42.1172.800000112.3T110 R111 R116 L117 L118T110-A114 WeakPolarHBondContact O-CB 3.37Å; T110-A114 PolarHBondContact O-N 3.45Å; R111-A114 PolarHBondContact O-N 3.03Å; A114-R116 VanDerWaalsContact C-N 3.34Å; A114-R116 PolarHBondContact O-N 3.47Å; A114-L117 PolarHBondContact O-N 3.48Å; A114-L118 WeakPolarHBondContact O-CB 3.43Å; A114-L118 PolarHBondContact O-N 2.86Å
115I88.1Confident78.7Confident68 Ų68103.2 Ų103.235%0.34951%0.508SS..Hα-helixtrans-64.6-36.8175.9-71165.5000111.5R111 E112 M113 K119R111-I115 HydrophobicContact CG-CD1 4.01Å; R111-I115 WeakPolarHBondContact O-CB 3.37Å; R111-I115 WeakPolarHBondContact O-CD1 3.33Å; R111-I115 VanDerWaalsContact O-CG1 3.25Å; R111-I115 WeakPolarHBondContact O-CG1 3.46Å; R111-I115 PolarHBondContact O-N 2.7Å; E112-I115 PolarHBondContact O-N 3.3Å; M113-I115 PolarHBondContact O-N 2.72Å; I115-K119 HydrophobicContact CG2-CD 4.24Å; I115-K119 VanDerWaalsContact O-CG 3.29Å; I115-K119 WeakPolarHBondContact O-CG 3.42Å; I115-K119 PolarHBondContact O-N 2.78Å; I115-K119 VanDerWaalsContact O-N 3.1Å
116R88.1Confident80.9Confident139 Ų139102.7 Ų102.753%0.52550%0.504SS..Hα-helixtrans-67.1-48.1175.3-66.8171.1-156.9173.44.9111.3E112 M113 A114 L118 K119 E120E112-R116 VanDerWaalsContact O-CG 3.32Å; E112-R116 WeakPolarHBondContact O-CG 3.38Å; E112-R116 PolarHBondContact O-N 2.72Å; E112-R116 IonicContact OE2-CZ 3.39Å; E112-R116 IonicContact OE2-NE 3.3Å; E112-R116 PolarHBondContact OE2-NE 2.85Å; E112-R116 IonicContact OE2-NH2 3.37Å; E112-R116 PolarHBondContact OE2-NH2 3.3Å; M113-R116 PolarHBondContact O-N 2.95Å; A114-R116 VanDerWaalsContact C-N 3.34Å; A114-R116 PolarHBondContact O-N 3.47Å; R116-L118 VanDerWaalsContact C-N 3.33Å; R116-L118 PolarHBondContact O-N 3.15Å; R116-K119 PolarHBondContact O-N 3.34Å; R116-E120 PolarHBondContact O-N 2.77Å
117L91.1Very high83Confident65 Ų65100.2 Ų100.234%0.3450%0.495SS..Hα-helixtrans-60.1-41.4177-70.7169.3000112M113 A114 E120 Y121M113-L117 HydrophobicContact CG-CD1 4.3Å; M113-L117 WeakPolarHBondContact O-CG 3.22Å; M113-L117 PolarHBondContact O-N 2.71Å; A114-L117 PolarHBondContact O-N 3.48Å; L117-E120 PolarHBondContact O-N 3.19Å; L117-Y121 WeakPolarHBondContact O-CB 3.37Å; L117-Y121 PolarHBondContact O-N 3.1Å
118L91.2Very high85Confident104 Ų104100 Ų10055%0.54549%0.488SS..Hα-helixtrans-64.4-41.1176.1-175.562.9000112.2A114 R116 Y121 V122A114-L118 WeakPolarHBondContact O-CB 3.43Å; A114-L118 PolarHBondContact O-N 2.86Å; R116-L118 VanDerWaalsContact C-N 3.33Å; R116-L118 PolarHBondContact O-N 3.15Å; L118-Y121 PolarHBondContact O-N 2.81Å; L118-V122 WeakPolarHBondContact O-CB 3.36Å; L118-V122 WeakPolarHBondContact O-CG2 3.48Å; L118-V122 PolarHBondContact O-N 2.81Å
119K92.2Very high86.6Confident148 Ų14899.1 Ų99.164%0.64348%0.483SS*.Hα-helixtrans-63.1-40.8174.4-76170.7179.4176.50112.1I115 R116 K123I115-K119 HydrophobicContact CG2-CD 4.24Å; I115-K119 VanDerWaalsContact O-CG 3.29Å; I115-K119 WeakPolarHBondContact O-CG 3.42Å; I115-K119 PolarHBondContact O-N 2.78Å; I115-K119 VanDerWaalsContact O-N 3.1Å; R116-K119 PolarHBondContact O-N 3.34Å; K119-K123 WeakPolarHBondContact O-CB 3.36Å; K119-K123 PolarHBondContact O-N 2.71Å
120E90.9Very high88Confident113 Ų11396.3 Ų96.353%0.52847%0.472SS..Hα-helixtrans-66.6-43.3176.5-171.2175.417600111.7R116 L117 K123 N124R116-E120 PolarHBondContact O-N 2.77Å; L117-E120 PolarHBondContact O-N 3.19Å; E120-K123 WeakPolarHBondContact O-CB 3.3Å; E120-K123 PolarHBondContact O-N 2.78Å; E120-N124 WeakPolarHBondContact O-CB 3.44Å; E120-N124 PolarHBondContact O-N 3.2Å; E120-N124 PolarHBondContact O-ND2 2.67Å
121Y89.9Confident88.6Confident75 Ų7595 Ų9529%0.29446%0.46SS..Hα-helixtrans-60.4-46.3175.4-176.6-109.6000112.4L117 L118 K123 N124 L125L117-Y121 WeakPolarHBondContact O-CB 3.37Å; L117-Y121 PolarHBondContact O-N 3.1Å; L118-Y121 PolarHBondContact O-N 2.81Å; Y121-K123 VanDerWaalsContact C-N 3.34Å; Y121-K123 PolarHBondContact O-N 3.24Å; Y121-N124 PolarHBondContact O-N 2.99Å; Y121-L125 HydrophobicContact CD1-CD1 3.85Å; Y121-L125 HydrophobicContact CE1-CD1 3.41Å; Y121-L125 VanDerWaalsContact CE1-CD1 3.41Å; Y121-L125 HydrophobicContact CE1-CG 4.32Å; Y121-L125 PolarHBondContact O-N 2.92Å
122V92Very high88.8Confident86 Ų8690 Ų9052%0.52145%0.446SS..Hα-helixtrans-63.7-37.6175.9170.50000111.9L118 K126L118-V122 WeakPolarHBondContact O-CB 3.36Å; L118-V122 WeakPolarHBondContact O-CG2 3.48Å; L118-V122 PolarHBondContact O-N 2.81Å; V122-K126 WeakPolarHBondContact O-CB 3.47Å; V122-K126 PolarHBondContact O-N 2.9Å
123K92.2Very high89Confident115 Ų11591.1 Ų91.150%0.545%0.445SS..Hα-helixtrans-62.1-50.9172.4179.9-171.7169.2-63.50110.9K119 E120 Y121 L125 K126 D127K119-K123 WeakPolarHBondContact O-CB 3.36Å; K119-K123 PolarHBondContact O-N 2.71Å; E120-K123 WeakPolarHBondContact O-CB 3.3Å; E120-K123 PolarHBondContact O-N 2.78Å; Y121-K123 VanDerWaalsContact C-N 3.34Å; Y121-K123 PolarHBondContact O-N 3.24Å; K123-L125 VanDerWaalsContact C-N 3.3Å; K123-L125 PolarHBondContact O-N 2.91Å; K123-K126 WeakPolarHBondContact O-CA 3.47Å; K123-K126 WeakPolarHBondContact O-CB 3.39Å; K123-K126 PolarHBondContact O-N 2.74Å; K123-D127 IonicContact NZ-OD2 2.68Å; K123-D127 PolarHBondContact NZ-OD2 3.19Å; K123-D127 VanDerWaalsContact O-CG 3.3Å; K123-D127 PolarHBondContact O-N 2.8Å
124N91.1Very high88.9Confident78 Ų7893.3 Ų93.342%0.41746%0.455SS..Hα-helixtrans-64.2-35-177.1-66.7-15.7000112E120 Y121 F128E120-N124 WeakPolarHBondContact O-CB 3.44Å; E120-N124 PolarHBondContact O-N 3.2Å; E120-N124 PolarHBondContact O-ND2 2.67Å; Y121-N124 PolarHBondContact O-N 2.99Å; N124-F128 VanDerWaalsContact O-CB 3.31Å; N124-F128 WeakPolarHBondContact O-CB 3.4Å; N124-F128 PolarHBondContact O-N 2.75Å
125L90.9Very high88.9Confident86 Ų8696 Ų9645%0.4546%0.456SS..Hα-helixtrans-61.9-43.8168.8-83.7169.2000112.7Y121 K123 S129Y121-L125 HydrophobicContact CD1-CD1 3.85Å; Y121-L125 HydrophobicContact CE1-CD1 3.41Å; Y121-L125 VanDerWaalsContact CE1-CD1 3.41Å; Y121-L125 HydrophobicContact CE1-CG 4.32Å; Y121-L125 PolarHBondContact O-N 2.92Å; K123-L125 VanDerWaalsContact C-N 3.3Å; K123-L125 PolarHBondContact O-N 2.91Å; L125-S129 WeakPolarHBondContact O-CB 3.37Å; L125-S129 PolarHBondContact O-N 3.15Å
126K92.1Very high88.3Confident145 Ų14598.2 Ų98.263%0.6347%0.465SS*.Hα-helixtrans-65.9-39.1178.1-174.5178.6178.3-178.70112.1V122 K123 S130V122-K126 WeakPolarHBondContact O-CB 3.47Å; V122-K126 PolarHBondContact O-N 2.9Å; K123-K126 WeakPolarHBondContact O-CA 3.47Å; K123-K126 WeakPolarHBondContact O-CB 3.39Å; K123-K126 PolarHBondContact O-N 2.74Å; K126-S130 WeakPolarHBondContact O-CB 3.31Å; K126-S130 PolarHBondContact O-N 2.79Å; K126-S130 PolarHBondContact O-OG 2.95Å
127D89.4Confident87.4Confident73 Ų7394.8 Ų94.839%0.3946%0.462SS..Hα-helixtrans-69.4-45.8177.9-64.4-13.9000110.5K123 S129 S130 M131K123-D127 IonicContact NZ-OD2 2.68Å; K123-D127 PolarHBondContact NZ-OD2 3.19Å; K123-D127 VanDerWaalsContact O-CG 3.3Å; K123-D127 PolarHBondContact O-N 2.8Å; D127-S129 PolarHBondContact O-N 3.04Å; D127-S130 WeakPolarHBondContact O-CB 3.35Å; D127-S130 PolarHBondContact O-N 2.8Å; D127-S130 VanDerWaalsContact O-N 3.09Å; D127-M131 PolarHBondContact O-N 3.09Å
128F90.8Very high86Confident119 Ų11995 Ų9552%0.52247%0.466SS..Hα-helixtrans-59.5-45.3173.1-179.3-94000112.3N124 S130 M131 M132N124-F128 VanDerWaalsContact O-CB 3.31Å; N124-F128 WeakPolarHBondContact O-CB 3.4Å; N124-F128 PolarHBondContact O-N 2.75Å; F128-S130 PolarHBondContact O-N 3.24Å; F128-M131 HydrophobicContact CD2-CE 3.45Å; F128-M131 VanDerWaalsContact CD2-CE 3.45Å; F128-M131 HydrophobicContact CE2-CE 3.59Å; F128-M131 HydrophobicContact CG-CE 4.32Å; F128-M131 PolarHBondContact O-N 2.93Å; F128-M132 HydrophobicContact CD1-CG 4.12Å; F128-M132 HydrophobicContact CE1-CG 3.7Å; F128-M132 HydrophobicContact CE2-CG 4.42Å; F128-M132 HydrophobicContact CZ-CG 3.87Å; F128-M132 HydrophobicContact CZ-SD 4.12Å; F128-M132 WeakPolarHBondContact O-CG 3.38Å; F128-M132 PolarHBondContact O-N 2.78Å
129S88.5Confident84.5Confident46 Ų4694 Ų9432%0.32246%0.464SS..Hα-helixtrans-59.1-34174.7-177.60000112.2L125 D127 R133L125-S129 WeakPolarHBondContact O-CB 3.37Å; L125-S129 PolarHBondContact O-N 3.15Å; D127-S129 PolarHBondContact O-N 3.04Å; S129-R133 PolarHBondContact O-N 2.67Å; S129-R133 VanDerWaalsContact O-N 3.12Å; S129-R133 PolarHBondContact OG-NH1 3.04Å; S129-R133 PolarHBondContact OG-NH2 2.83Å
130S87.1Confident82.5Confident48 Ų4892.6 Ų92.634%0.33646%0.464SS..Hα-helixtrans-76-43.6178.1-56.20000111.9K126 D127 F128 M132 R133 E134K126-S130 WeakPolarHBondContact O-CB 3.31Å; K126-S130 PolarHBondContact O-N 2.79Å; K126-S130 PolarHBondContact O-OG 2.95Å; D127-S130 WeakPolarHBondContact O-CB 3.35Å; D127-S130 PolarHBondContact O-N 2.8Å; D127-S130 VanDerWaalsContact O-N 3.09Å; F128-S130 PolarHBondContact O-N 3.24Å; S130-M132 VanDerWaalsContact C-N 3.28Å; S130-M132 PolarHBondContact O-N 3.08Å; S130-R133 PolarHBondContact O-N 2.85Å; S130-R133 PolarHBondContact OG-NH2 2.88Å; S130-E134 WeakPolarHBondContact O-CB 3.36Å; S130-E134 PolarHBondContact O-N 3.08Å
131M89.4Confident80.6Confident67 Ų6796.6 Ų96.633%0.3347%0.474SS..Hα-helixtrans-57.8-38.9170.5178.4-164.75900111.9D127 F128 E134 K135D127-M131 PolarHBondContact O-N 3.09Å; F128-M131 HydrophobicContact CD2-CE 3.45Å; F128-M131 VanDerWaalsContact CD2-CE 3.45Å; F128-M131 HydrophobicContact CE2-CE 3.59Å; F128-M131 HydrophobicContact CG-CE 4.32Å; F128-M131 PolarHBondContact O-N 2.93Å; M131-E134 PolarHBondContact O-N 2.8Å; M131-K135 HydrophobicContact CG-CD 4.33Å; M131-K135 WeakPolarHBondContact O-CB 3.47Å; M131-K135 WeakPolarHBondContact O-CG 3.49Å; M131-K135 PolarHBondContact O-N 3.04Å
132M84.6Confident78.5Confident79 Ų7998.9 Ų98.939%0.38949%0.491SS..Hα-helixtrans-68.8-39.6177.7-71.2-59.4-65.600112.3F128 S130 Q136F128-M132 HydrophobicContact CD1-CG 4.12Å; F128-M132 HydrophobicContact CE1-CG 3.7Å; F128-M132 HydrophobicContact CE2-CG 4.42Å; F128-M132 HydrophobicContact CZ-CG 3.87Å; F128-M132 HydrophobicContact CZ-SD 4.12Å; F128-M132 WeakPolarHBondContact O-CG 3.38Å; F128-M132 PolarHBondContact O-N 2.78Å; S130-M132 VanDerWaalsContact C-N 3.28Å; S130-M132 PolarHBondContact O-N 3.08Å; M132-Q136 WeakPolarHBondContact O-CG 3.15Å; M132-Q136 PolarHBondContact O-N 2.87Å
133R84.2Confident76.3Confident123 Ų12399.3 Ų99.346%0.46449%0.494SS..Hα-helixtrans-64.5-38.8171-79.4-173.3-68.4-87-8.7112.7S129 S130 Q136 S137S129-R133 PolarHBondContact O-N 2.67Å; S129-R133 VanDerWaalsContact O-N 3.12Å; S129-R133 PolarHBondContact OG-NH1 3.04Å; S129-R133 PolarHBondContact OG-NH2 2.83Å; S130-R133 PolarHBondContact O-N 2.85Å; S130-R133 PolarHBondContact OG-NH2 2.88Å; R133-Q136 PolarHBondContact O-N 2.99Å; R133-S137 VanDerWaalsContact O-CB 3.3Å; R133-S137 WeakPolarHBondContact O-CB 3.36Å; R133-S137 PolarHBondContact O-N 2.62Å; R133-S137 PolarHBondContact O-OG 3.16Å
134E82.6Confident73.8Confident127 Ų12798.1 Ų98.159%0.59350%0.5SS*.Hα-helixtrans-62.7-50175.8-176.6177.7-164.800110.5S130 M131 Q136 S137 T138S130-E134 WeakPolarHBondContact O-CB 3.36Å; S130-E134 PolarHBondContact O-N 3.08Å; M131-E134 PolarHBondContact O-N 2.8Å; E134-Q136 VanDerWaalsContact C-N 3.32Å; E134-Q136 PolarHBondContact O-N 2.81Å; E134-S137 CarbonylContact O-C 3.53Å; E134-S137 WeakPolarHBondContact O-CA 3.31Å; E134-S137 WeakPolarHBondContact O-CB 3.3Å; E134-S137 PolarHBondContact O-N 2.97Å; E134-T138 PolarHBondContact O-N 3.47Å; E134-T138 PolarHBondContact O-OG1 2.9Å
135K79.7Confident71.6Confident111 Ų11198.5 Ų98.548%0.48351%0.505SS..Hα-helixtrans-58.3-40.9174.6-74.7177.3179.7179.40112.9M131 S137 T138 T139M131-K135 HydrophobicContact CG-CD 4.33Å; M131-K135 WeakPolarHBondContact O-CB 3.47Å; M131-K135 WeakPolarHBondContact O-CG 3.49Å; M131-K135 PolarHBondContact O-N 3.04Å; K135-S137 VanDerWaalsContact C-N 3.32Å; K135-T138 WeakPolarHBondContact CA-OG1 3.45Å; K135-T138 PolarHBondContact O-OG1 2.97Å; K135-T139 WeakPolarHBondContact O-CG2 3.2Å; K135-T139 PolarHBondContact O-N 3.45Å; K135-T139 PolarHBondContact O-OG1 3.03Å
136Q75.9Confident68.8Low116 Ų11699.2 Ų99.254%0.54252%0.517SS..Hα-helixtrans-63.7-38.6173.6-76.3175.8-26.300111.8M132 R133 E134 T139 L140M132-Q136 WeakPolarHBondContact O-CG 3.15Å; M132-Q136 PolarHBondContact O-N 2.87Å; R133-Q136 PolarHBondContact O-N 2.99Å; E134-Q136 VanDerWaalsContact C-N 3.32Å; E134-Q136 PolarHBondContact O-N 2.81Å; Q136-T139 WeakPolarHBondContact CA-OG1 3.37Å; Q136-T139 PolarHBondContact O-OG1 2.87Å; Q136-L140 WeakPolarHBondContact O-CB 3.42Å; Q136-L140 VanDerWaalsContact O-CG 3.31Å; Q136-L140 WeakPolarHBondContact O-CG 3.41Å; Q136-L140 PolarHBondContact O-N 3.26Å
137S70.5Confident66Low67 Ų6797.5 Ų97.547%0.46952%0.521SS..Hα-helixtrans-72.5-36.1179.7-62.10000112.9R133 E134 K135 L140 R141R133-S137 VanDerWaalsContact O-CB 3.3Å; R133-S137 WeakPolarHBondContact O-CB 3.36Å; R133-S137 PolarHBondContact O-N 2.62Å; R133-S137 PolarHBondContact O-OG 3.16Å; E134-S137 CarbonylContact O-C 3.53Å; E134-S137 WeakPolarHBondContact O-CA 3.31Å; E134-S137 WeakPolarHBondContact O-CB 3.3Å; E134-S137 PolarHBondContact O-N 2.97Å; K135-S137 VanDerWaalsContact C-N 3.32Å; S137-L140 PolarHBondContact O-N 3.49Å; S137-R141 PolarHBondContact O-N 3.45Å
138T61.2Low63.3Low69 Ų69100.4 Ų100.442%0.42354%0.535SS..Hα-helixtrans-67.8-47170.755.70000110.2E134 K135 L140 R141 D142E134-T138 PolarHBondContact O-N 3.47Å; E134-T138 PolarHBondContact O-OG1 2.9Å; K135-T138 WeakPolarHBondContact CA-OG1 3.45Å; K135-T138 PolarHBondContact O-OG1 2.97Å; T138-L140 VanDerWaalsContact C-N 3.26Å; T138-L140 PolarHBondContact O-N 2.88Å; T138-R141 PolarHBondContact O-N 3.07Å; T138-R141 VanDerWaalsContact O-N 3.11Å; T138-D142 VanDerWaalsContact O-CG 3.3Å; T138-D142 PolarHBondContact O-N 3.24Å
139T58.4Low60.7Low82 Ų82102.2 Ų102.250%0.50355%0.545SS..Hα-helixtrans-60-35.9174.951.20000112.7K135 Q136 D142 T143K135-T139 WeakPolarHBondContact O-CG2 3.2Å; K135-T139 PolarHBondContact O-N 3.45Å; K135-T139 PolarHBondContact O-OG1 3.03Å; Q136-T139 WeakPolarHBondContact CA-OG1 3.37Å; Q136-T139 PolarHBondContact O-OG1 2.87Å; T139-D142 PolarHBondContact O-N 2.95Å; T139-T143 WeakPolarHBondContact O-CG2 3.38Å; T139-T143 PolarHBondContact O-N 2.94Å; T139-T143 PolarHBondContact O-OG1 3.18Å; T139-T143 VanDerWaalsContact O-OG1 3.07Å
140L51.2Low58.1Low120 Ų120103.9 Ų103.963%0.62856%0.557SS**Hα-helixtrans-68.6-36.9176.7-81.1166.9000112.6Q136 S137 T138 T143 S144Q136-L140 WeakPolarHBondContact O-CB 3.42Å; Q136-L140 VanDerWaalsContact O-CG 3.31Å; Q136-L140 WeakPolarHBondContact O-CG 3.41Å; Q136-L140 PolarHBondContact O-N 3.26Å; S137-L140 PolarHBondContact O-N 3.49Å; T138-L140 VanDerWaalsContact C-N 3.26Å; T138-L140 PolarHBondContact O-N 2.88Å; L140-T143 VanDerWaalsContact CA-OG1 3.3Å; L140-T143 WeakPolarHBondContact CA-OG1 3.43Å; L140-T143 PolarHBondContact O-N 2.87Å; L140-T143 PolarHBondContact O-OG1 3.48Å; L140-S144 PolarHBondContact O-N 3.41Å
141R51.9Low55.5Low197 Ų197106.5 Ų106.574%0.74357%0.573SS**Hα-helixtrans-72-37172.9-76.8-169171.2-149.4-2.8112.7S137 T138 T143 S144S137-R141 PolarHBondContact O-N 3.45Å; T138-R141 PolarHBondContact O-N 3.07Å; T138-R141 VanDerWaalsContact O-N 3.11Å; R141-T143 VanDerWaalsContact C-N 3.27Å; R141-T143 PolarHBondContact O-N 2.94Å; R141-S144 WeakPolarHBondContact O-CA 3.49Å; R141-S144 WeakPolarHBondContact O-CB 3.47Å; R141-S144 PolarHBondContact O-N 2.9Å; R141-S144 PolarHBondContact O-OG 2.98Å
142D45.4Very low53Low122 Ų122108.9 Ų108.965%0.65259%0.591SS**Hα-helixtrans-71.6-24.4174.6-62.1-26.4000111.6T138 T139 S144T138-D142 VanDerWaalsContact O-CG 3.3Å; T138-D142 PolarHBondContact O-N 3.24Å; T139-D142 PolarHBondContact O-N 2.95Å; D142-S144 VanDerWaalsContact C-N 3.29Å
143T45.4Very low50.8Low96 Ų96110 Ų11059%0.58960%0.598SS**THydrogen-bonded Turntrans-79.9-1.9164.957.40000114.4T139 L140 R141 T145T139-T143 WeakPolarHBondContact O-CG2 3.38Å; T139-T143 PolarHBondContact O-N 2.94Å; T139-T143 PolarHBondContact O-OG1 3.18Å; T139-T143 VanDerWaalsContact O-OG1 3.07Å; L140-T143 VanDerWaalsContact CA-OG1 3.3Å; L140-T143 WeakPolarHBondContact CA-OG1 3.43Å; L140-T143 PolarHBondContact O-N 2.87Å; L140-T143 PolarHBondContact O-OG1 3.48Å; R141-T143 VanDerWaalsContact C-N 3.27Å; R141-T143 PolarHBondContact O-N 2.94Å; T143-T145 PolarHBondContact O-N 3.39Å
144S39.5Very low48.6Very low89 Ų89109.3 Ų109.362%0.62260%0.603SS**  trans-77.253.915373.40000109.9L140 R141 D142 S146L140-S144 PolarHBondContact O-N 3.41Å; R141-S144 WeakPolarHBondContact O-CA 3.49Å; R141-S144 WeakPolarHBondContact O-CB 3.47Å; R141-S144 PolarHBondContact O-N 2.9Å; R141-S144 PolarHBondContact O-OG 2.98Å; D142-S144 VanDerWaalsContact C-N 3.29Å; S144-S146 PolarHBondContact O-N 3.36Å
145T44.6Very low46.9Very low86 Ų86107.7 Ų107.753%0.52861%0.606SS.*  trans-56.6110.1156.851.90000106.3T143 I148T143-T145 PolarHBondContact O-N 3.39Å; T145-I148 HydrophobicContact CG2-CD1 4.37Å
146S32.7Very low45.3Very low101 Ų101108.6 Ų108.671%0.70661%0.612SS**  trans-38.1136.1152.6-56.80000107.7S144 I148S144-S146 PolarHBondContact O-N 3.36Å; S146-I148 PolarHBondContact O-N 3.43Å
147P32.6Very low44Very low110 Ų110107.7 Ų107.771%0.71461%0.611SS**  trans-47.4121.6-170.320.6-33.7000108.1H149P147-H149 PolarHBondContact O-N 3Å
148I33.8Very low42.8Very low133 Ų133110.7 Ų110.768%0.68262%0.615SS**  trans-66.593.6-172.8-58.8177.5000106T145 S146 S150T145-I148 HydrophobicContact CG2-CD1 4.37Å; S146-I148 PolarHBondContact O-N 3.43Å; I148-S150 PolarHBondContact O-N 2.98Å
149H36.4Very low42.1Very low157 Ų157113.1 Ų113.173%0.72762%0.622SS**  trans-55.386.8145-79.9-67.8000104.8P147P147-H149 PolarHBondContact O-N 3Å
150S32.3Very low41.6Very low81 Ų81115.8 Ų115.857%0.56663%0.626SS**  trans-39.5126.8145.5450000104.8I148 V152I148-S150 PolarHBondContact O-N 2.98Å; S150-V152 PolarHBondContact O-N 3Å
151P33.4Very low41.2Very low103 Ų103114.7 Ų114.767%0.66963%0.627SS**  trans-51.1115.9-176.620.4-31.9000105.7L153P151-L153 WeakPolarHBondContact O-CG 3.49Å; P151-L153 PolarHBondContact O-N 2.81Å
152V36.4Very low40.7Very low118 Ų118108 Ų10872%0.71562%0.615SS**  trans-66.995-178.6175.10000102.6S150 D154S150-V152 PolarHBondContact O-N 3Å; V152-D154 PolarHBondContact O-N 3.11Å
153L38.3Very low40.6Very low102 Ų102107.6 Ų107.653%0.53461%0.611SS.*  trans-71.687.8-165.3-90.7157.8000106P151 S155 K158P151-L153 WeakPolarHBondContact O-CG 3.49Å; P151-L153 PolarHBondContact O-N 2.81Å; L153-S155 PolarHBondContact O-N 3.04Å; L153-K158 HydrophobicContact CB-CD 4.12Å; L153-K158 HydrophobicContact CB-CG 4.42Å
154D38.3Very low40.5Very low108 Ų108111.7 Ų111.758%0.57862%0.621SS**  trans-52.1128.2-161.3-163.5-9.1000108.4V152 H156 D157V152-D154 PolarHBondContact O-N 3.11Å; D154-H156 PolarHBondContact O-N 3.2Å; D154-D157 PolarHBondContact O-N 3.02Å
155S46.8Very low40.5Very low93 Ų93117.2 Ų117.265%0.6563%0.628SS**Hα-helixtrans-59.8-20.7-156.7-61.50000112.5L153L153-S155 PolarHBondContact O-N 3.04Å
156H46.5Very low40.1Very low130 Ų130120.2 Ų120.260%0.60264%0.641SS**Hα-helixtrans-72.3-34.5174-72.3-68.9000115.6D154 Q159 K160D154-H156 PolarHBondContact O-N 3.2Å; H156-Q159 PolarHBondContact O-N 3.42Å; H156-K160 PolarHBondContact O-N 3.07Å
157D48.2Very low40.4Very low98 Ų98120.9 Ų120.952%0.52464%0.641SS.*Hα-helixtrans-84.6-26.8-175.5-90.2-2.9000113D154 Q159 K160 C161D154-D157 PolarHBondContact O-N 3.02Å; D157-Q159 VanDerWaalsContact C-N 3.27Å; D157-Q159 PolarHBondContact O-N 2.82Å; D157-K160 PolarHBondContact O-N 3.29Å; D157-K160 IonicContact OD1-NZ 3.74Å; D157-C161 PolarHBondContact O-N 2.78Å
158K45.4Very low40.7Very low130 Ų130125.1 Ų125.157%0.56565%0.651SS**Hα-helixtrans-61-36.4166.4-86.7178.7171.4167.50112.2L153 A162L153-K158 HydrophobicContact CB-CD 4.12Å; L153-K158 HydrophobicContact CB-CG 4.42Å; K158-A162 PolarHBondContact O-N 2.93Å
159Q47Very low40.6Very low119 Ų119126.1 Ų126.156%0.55666%0.658SS**Hα-helixtrans-69.4-44.1175.7-71.7-173.6-13.200111.9H156 D157 C161 A162 I163H156-Q159 PolarHBondContact O-N 3.42Å; D157-Q159 VanDerWaalsContact C-N 3.27Å; D157-Q159 PolarHBondContact O-N 2.82Å; Q159-C161 VanDerWaalsContact C-N 3.26Å; Q159-C161 PolarHBondContact O-N 3.19Å; Q159-A162 PolarHBondContact O-N 3.33Å; Q159-A162 VanDerWaalsContact O-N 3.11Å; Q159-I163 HydrophobicContact CB-CD1 3.95Å; Q159-I163 WeakPolarHBondContact O-CB 3.44Å; Q159-I163 WeakPolarHBondContact O-CD1 3.5Å; Q159-I163 VanDerWaalsContact O-CG1 3.25Å; Q159-I163 WeakPolarHBondContact O-CG1 3.32Å; Q159-I163 PolarHBondContact O-N 3.48Å
160K47.7Very low40.5Very low139 Ų139123.5 Ų123.560%0.60466%0.657SS**Hα-helixtrans-62.3-27.6179.3-75.7177.6-175.5162.50114.7H156 D157H156-K160 PolarHBondContact O-N 3.07Å; D157-K160 PolarHBondContact O-N 3.29Å; D157-K160 IonicContact OD1-NZ 3.74Å
161C42Very low40.9Very low96 Ų96126.2 Ų126.265%0.64967%0.665SS**Hα-helixtrans-88-14.7176.2-74.60000114.4D157 Q159D157-C161 PolarHBondContact O-N 2.78Å; Q159-C161 VanDerWaalsContact C-N 3.26Å; Q159-C161 PolarHBondContact O-N 3.19Å
162A43.1Very low41.1Very low58 Ų58128 Ų12848%0.47967%0.669SS.*Hα-helixtrans-88.8-42.1171.900000112K158 Q159 K164 R165K158-A162 PolarHBondContact O-N 2.93Å; Q159-A162 PolarHBondContact O-N 3.33Å; Q159-A162 VanDerWaalsContact O-N 3.11Å; A162-K164 PolarHBondContact O-N 2.83Å; A162-R165 PolarHBondContact O-N 3.28Å
163I42.5Very low41Very low112 Ų112128.4 Ų128.457%0.57467%0.672SS**THydrogen-bonded Turntrans-73.125.8-174.2-61164.8000112.8Q159Q159-I163 HydrophobicContact CB-CD1 3.95Å; Q159-I163 WeakPolarHBondContact O-CB 3.44Å; Q159-I163 WeakPolarHBondContact O-CD1 3.5Å; Q159-I163 VanDerWaalsContact O-CG1 3.25Å; Q159-I163 WeakPolarHBondContact O-CG1 3.32Å; Q159-I163 PolarHBondContact O-N 3.48Å
164K42.7Very low41.1Very low183 Ų183129.4 Ų129.480%0.79668%0.683SS**THydrogen-bonded Turntrans-130.819176.6-74.3-164.8173.2-172.50114.4A162A162-K164 PolarHBondContact O-N 2.83Å
165R38.8Very low41Very low204 Ų204128.4 Ų128.477%0.7768%0.684SS**THydrogen-bonded Turntrans-119-35.4170-73.1-170.6176.779.90.8114.2A162A162-R165 PolarHBondContact O-N 3.28Å
166D37.8Very low40.3Very low150 Ų150133.8 Ų133.880%0.80269%0.69SS**SBendtrans-105.744.5-171.8-54.7-68000113.2
167T39.3Very low39.7Very low114 Ų114135 Ų13570%0.69970%0.696SS**  trans-148.150.4179.3-35.90000113.2
168Q37Very low39Very low199 Ų199141.7 Ų141.793%0.9371%0.714SS**  trans-147.367.8159.4-125.3173.810.300110.9
169N33.2Very low38.8Very low155 Ų155141.3 Ų141.383%0.82973%0.725SS**  trans-97.1147.4165.6-135.4-5.2000107.7
170S34.8Very low38.1Very low102 Ų102141.1 Ų141.171%0.71374%0.736SS**  trans53.3119.5-17444.90000114
171D40.1Very low37.5Very low137 Ų137139.7 Ų139.773%0.73374%0.744SS**  -166.7164.853.1-118.5-11.4000113.5
172N36.3Very low37.2Very low140 Ų140142.9 Ų142.975%0.74975%0.751SS**  trans63.1128.6155.6-66.4-47.9000121
173T34.8Very low36.9Very low128 Ų128147.9 Ų147.979%0.78577%0.769SS**  trans-69.6-174.6169.249.30000112.6
174V40.3Very low36.4Very low123 Ų123146 Ų14675%0.74578%0.777SS**  trans95.477.1166.9-165.10000117.3
175S36.3Very low36.1Very low86 Ų86144.6 Ų144.660%0.60178%0.783SS**  85.3145.9126.2890000121.7
176R33.3Very low35.7Very low207 Ų207138.7 Ų138.778%0.78177%0.774SS**  trans64.1150.1152.9-61.7166.7-179.3-95.17.5117.5
177Q34.3Very low35.7Very low155 Ų155139.2 Ų139.272%0.72478%0.776SS**  cis-153.4142.8-19-116.2168.2-8700106.8
178R32.1Very low35.5Very low238 Ų238140.6 Ų140.690%0.89878%0.776SS**  trans-100.7132.1-177.3-165.3177.3-168.2158.63111.2
179P40.9Very low35.6Very low123 Ų123138.8 Ų138.880%0.79977%0.768SS**  trans-71.9130.9173-19.633.2000113.2
180S32.7Very low35.7Very low115 Ų115139 Ų13980%0.80476%0.764SS**  trans-78178.1161.6-25.50000109.8
181S35Very low35.6Very low109 Ų109139.5 Ų139.576%0.76276%0.763SS**  cis-158.8-177.6-351.30000106.1
182M36.9Very low35.3Very low162 Ų162139.1 Ų139.180%0.79877%0.767SS**  cis-133.3-172.96.8-53166.977.400106.8
183L35.5Very low35.2Very low164 Ų164139.8 Ų139.886%0.85977%0.766SS**  cis-129.2169.62.3-85.293000107.1
184G32.3Very low35.1Very low71 Ų71140.3 Ų140.373%0.73276%0.764SS**  cis153.745.21.800000112.9
185V37Very low34.8Very low154 Ų154141.6 Ų141.693%0.93377%0.765SS**  trans-130.3141.2167.3-176.40000107.6
186S30.9Very low34.8Very low81 Ų81141.1 Ų141.157%0.56677%0.767SS**  trans-107.4138.2-167.854.30000113.4
187D37Very low35Very low160 Ų160139.6 Ų139.686%0.85677%0.769SS**  -136.9110.8128.4-85.7-46.6000106
188M35.1Very low35.1Very low143 Ų143137.2 Ų137.270%0.70477%0.769SS**  62.486.169.2-71.2-68.5107.900113.3
189H38.2Very low35.2Very low162 Ų162131.3 Ų131.375%0.7576%0.756SS**  trans-163.4116.4132.8-104.8-76.4000110.2
190Q36.7Very low34.9Very low160 Ų160136.3 Ų136.375%0.74876%0.758SS**  trans57.8136.3151.3-63159.15.200118.6
191T32.2Very low35.1Very low112 Ų112134.5 Ų134.569%0.68775%0.751SS**  cis-161.6151.7-6.18.10000106.5
192P33.8Very low35.2Very low128 Ų128138.1 Ų138.183%0.83175%0.753SS**  -136.1173.496.834.8-21.3000113.7
193H33.2Very low35Very low155 Ų155136.6 Ų136.672%0.71875%0.752SS**  trans-73.5173.9177.1-85.3-112.3000113.2
194D34Very low35Very low139 Ų139134.6 Ų134.674%0.74375%0.749SS**  trans77.1140.7157.2-63.2-21.3000119
195L33.9Very low34.9Very low149 Ų149137.7 Ų137.778%0.7875%0.754SS**  cis-164.3133.5-21-179.764.1000108.6
196A36.3Very low34.4Very low77 Ų77134.3 Ų134.364%0.63674%0.738SS**  trans61.4166.1165.300000115.9
197Q37.5Very low34.4Very low175 Ų175138.7 Ų138.782%0.81875%0.747SS**  cis-159.2159.4-24.4-112166.6-14.800107.5
198S35.2Very low34.1Very low104 Ų104139.7 Ų139.773%0.72774%0.744SS**  trans64.4151.8160.6-78.90000117
199D35.6Very low33.7Very low115 Ų115137.8 Ų137.862%0.61575%0.745SS**  cis-156.2164.2-9.6-131.8-60.1000110.9
200R33.8Very low33.6Very low227 Ų227135.1 Ų135.186%0.85774%0.744SS**  trans46.7137.9150.8-84.4159.2161.2164.3-4.7121.1
201A37.1Very low33.4Very low78 Ų78134.6 Ų134.665%0.64575%0.746SS**  cis-166.3163.4-1.500000112.6
202K37.3Very low33.1Very low185 Ų185135.3 Ų135.380%0.80475%0.745SS**  trans60.188.4153.8-65.7170.7-177.4-175.80116.7
203T31.7Very low32.9Very low129 Ų129137.3 Ų137.379%0.79174%0.743SS**  65.1120.581.664.50000115.5
204P35.5Very low32.5Very low122 Ų122136.1 Ų136.179%0.79275%0.746SS**  trans-87.9166.2170.138.1-35.5000112.1
205T30.9Very low32.1Very low136 Ų136134.5 Ų134.583%0.83474%0.741SS**  trans-161.5159.9138.314.30000111.5
206S27.4Very low31.7Very low84 Ų84133.4 Ų133.459%0.58774%0.736SS**  trans-55.2162.3170.751.70000114.4
207F30.9Very low31.2Very low172 Ų172137 Ų13775%0.75474%0.743SS**  -168.7160.9116.3-88.3-50.9000112.3
208F28.9Very low30.7Very low182 Ų182133.2 Ų133.280%0.79873%0.734SS**  trans6.2143.4149.6-58.9-62.3000118.6
209S27.8Very low30.4Very low103 Ų103134.9 Ų134.972%0.7274%0.739SS**  cis-175.7-166.86.31780000107.2
210S35.4Very low30.1Very low105 Ų105132.9 Ų132.973%0.73474%0.738SS**  trans73.3137.217380.10000116.1
211L32.7Very low29.8Very low150 Ų150131.3 Ų131.379%0.78574%0.738SS**  cis-147.3146.4-11.9-151.369.9000111.6
212D27.2Very low29.5Very low127 Ų127136.3 Ų136.368%0.67975%0.75SS**  trans-18122.5170.2-45.2-43.6000117.7
213H27.8Very low29.2Very low170 Ų170136.1 Ų136.179%0.78775%0.75SS**  -168.996.7104.7-94.711.6000110.8V215H213-V215 HydrophobicContact CB-CG2 4.48Å; H213-V215 PolarHBondContact O-N 3.31Å
214V25.1Very low29Very low129 Ų129138.7 Ų138.778%0.78275%0.75SS**  trans-71.9102.8154.1175.70000106.4
215V26.6Very low28.8Very low105 Ų105141 Ų14164%0.63675%0.75SS**  trans-92.391.1160.2-178.70000106.7H213 I217H213-V215 HydrophobicContact CB-CG2 4.48Å; H213-V215 PolarHBondContact O-N 3.31Å; V215-I217 HydrophobicContact CG1-CG1 4.43Å; V215-I217 PolarHBondContact O-N 3.29Å
216D25.6Very low28.6Very low127 Ų127140 Ų14068%0.67974%0.739SS**  trans-52.1110.7149.6-74.3-54.4000106.7P218D216-P218 WeakPolarHBondContact O-CD 3.35Å
217I25.8Very low28.6Very low153 Ų153145.3 Ų145.379%0.78575%0.753SS**  trans-70.9106160.6-62.9178.9000104V215 V219V215-I217 HydrophobicContact CG1-CG1 4.43Å; V215-I217 PolarHBondContact O-N 3.29Å; I217-V219 PolarHBondContact O-N 3.12Å
218P27.4Very low28.5Very low95 Ų95141.5 Ų141.562%0.61774%0.744SS**  trans-68.1145.1-174.3-11.528.5000107.4D216 A220D216-P218 WeakPolarHBondContact O-CD 3.35Å; P218-A220 HydrophobicContact CB-CB 4.28Å; P218-A220 PolarHBondContact O-N 2.91Å
219V27.1Very low28.3Very low138 Ų138138 Ų13884%0.83675%0.748SS**  trans-71.467.2161.5-176.40000107.4I217 F221I217-V219 PolarHBondContact O-N 3.12Å; V219-F221 WeakPolarHBondContact O-CD2 3.48Å; V219-F221 PolarHBondContact O-N 3.36Å
220A30.5Very low28.2Very low73 Ų73143.6 Ų143.660%0.60375%0.753SS**  trans-72.9112.9-172.800000108.6P218 M222P218-A220 HydrophobicContact CB-CB 4.28Å; P218-A220 PolarHBondContact O-N 2.91Å; A220-M222 VanDerWaalsContact C-N 3.28Å; A220-M222 PolarHBondContact O-N 3.22Å
221F26.6Very low27.9Very low194 Ų194143.3 Ų143.385%0.85175%0.751SS**  trans-6181.9-179.6-83.6-114.8000112.1V219 K223V219-F221 WeakPolarHBondContact O-CD2 3.48Å; V219-F221 PolarHBondContact O-N 3.36Å; F221-K223 PolarHBondContact O-N 2.9Å
222M31Very low27.6Very low183 Ų183143.1 Ų143.190%0.90176%0.756SS**  trans-76.261.1158.7-80.2-64-73.900110.4A220A220-M222 VanDerWaalsContact C-N 3.28Å; A220-M222 PolarHBondContact O-N 3.22Å
223K31.2Very low27.5Very low182 Ų182142.1 Ų142.179%0.79176%0.758SS**  trans21.5112.7145.3-167174.7-172.4174.90115.7F221 Q225F221-K223 PolarHBondContact O-N 2.9Å; K223-Q225 PolarHBondContact O-N 2.85Å
224K27.6Very low27.7Very low183 Ų183141.7 Ų141.780%0.79675%0.754SS**  trans-28.399.5167.4-67.5-180177.1179.80113N226K224-N226 VanDerWaalsContact C-N 3.28Å; K224-N226 PolarHBondContact O-N 3.11Å
225Q30.6Very low27.7Very low170 Ų170142.3 Ų142.379%0.79476%0.757SS**  trans-77.193.6147.5-84.6-163.9-15.900106.7K223 F227K223-Q225 PolarHBondContact O-N 2.85Å; Q225-F227 PolarHBondContact O-N 2.77Å
226N28.4Very low28Very low114 Ų114143.7 Ų143.761%0.6176%0.76SS**  trans-62.199.1168.1-63.9-29.3000108K224 T228K224-N226 VanDerWaalsContact C-N 3.28Å; K224-N226 PolarHBondContact O-N 3.11Å; N226-T228 PolarHBondContact O-N 2.82Å; N226-T228 PolarHBondContact O-OG1 3.43Å
227F25.4Very low28.2Very low197 Ų197146.6 Ų146.686%0.86477%0.766SS**  trans-67.779.1154.7-91.5-80.2000107.7Q225 A229Q225-F227 PolarHBondContact O-N 2.77Å; F227-A229 PolarHBondContact O-N 2.89Å
228T29Very low28.3Very low92 Ų92148.2 Ų148.256%0.56477%0.771SS**  trans-67.1124.8-179-54.10000107.3N226 R230N226-T228 PolarHBondContact O-N 2.82Å; N226-T228 PolarHBondContact O-OG1 3.43Å; T228-R230 HydrophobicContact CG2-CB 3.95Å; T228-R230 HydrophobicContact CG2-CG 3.9Å; T228-R230 PolarHBondContact O-N 2.93Å
229A24.9Very low28.5Very low107 Ų107148.6 Ų148.688%0.88477%0.773SS**  trans-68.376.4171.200000110.1F227F227-A229 PolarHBondContact O-N 2.89Å
230R26.7Very low28.8Very low221 Ų221147.6 Ų147.683%0.83476%0.763SS**  trans-14779.5-179.4-89.4-168.3169.9-173.1-2.8111.8T228T228-R230 HydrophobicContact CG2-CB 3.95Å; T228-R230 HydrophobicContact CG2-CG 3.9Å; T228-R230 PolarHBondContact O-N 2.93Å
231S28.4Very low29.1Very low99 Ų99152.6 Ų152.669%0.69277%0.771SS**  trans-169.280.6135.645.70000112.1C233S231-C233 VanDerWaalsContact CB-SG 3.59Å; S231-C233 PolarHBondContact O-N 3.01Å
232V26.2Very low29.8Very low147 Ų147148.8 Ų148.889%0.89177%0.766SS**  trans-72.167.1142.9-176.40000106.9K234V232-K234 VanDerWaalsContact C-N 3.34Å; V232-K234 PolarHBondContact O-N 3.09Å
233C26Very low29.9Very low105 Ų105145.1 Ų145.171%0.70976%0.758SS**  trans-7890.9173.5-85.20000107.8S231 V235S231-C233 VanDerWaalsContact CB-SG 3.59Å; S231-C233 PolarHBondContact O-N 3.01Å; C233-V235 PolarHBondContact O-N 3.29Å
234K31.2Very low29.9Very low162 Ų162143.3 Ų143.370%0.70476%0.757SS**  trans-45.3135152.7-68.4-179.8173.9-179.80107.8V232 I236V232-K234 VanDerWaalsContact C-N 3.34Å; V232-K234 PolarHBondContact O-N 3.09Å; K234-I236 HydrophobicContact CB-CD1 4.06Å; K234-I236 HydrophobicContact CB-CG1 3.98Å; K234-I236 HydrophobicContact CD-CD1 3.99Å; K234-I236 PolarHBondContact O-N 2.64Å
235V25.4Very low30.3Very low142 Ų142145.8 Ų145.886%0.86176%0.763SS**  trans-74.173.5171-176.30000108.6C233C233-V235 PolarHBondContact O-N 3.29Å
236I32.2Very low30.5Very low134 Ų134145.1 Ų145.169%0.68776%0.764SS**  trans-94.5104.9166.3-65.4171.1000105.7K234 Q238K234-I236 HydrophobicContact CB-CD1 4.06Å; K234-I236 HydrophobicContact CB-CG1 3.98Å; K234-I236 HydrophobicContact CD-CD1 3.99Å; K234-I236 PolarHBondContact O-N 2.64Å; I236-Q238 PolarHBondContact O-N 2.96Å
237K30Very low30.7Very low187 Ų187146.7 Ų146.781%0.81377%0.768SS**  trans-66.1121.7167-63.3177.4178.7-179.40108.1
238Q29.2Very low31.2Very low188 Ų188145.6 Ų145.688%0.87976%0.762SS**  trans-175.3163.9131.9-99.8-171.2-8.800110.1I236I236-Q238 PolarHBondContact O-N 2.96Å
239P31.4Very low31.3Very low102 Ų102146 Ų14666%0.66277%0.77SS**  trans-112.1-164.9-142.443.7-39.4000115.2
240D33.1Very low31.6Very low118 Ų118150 Ų15063%0.63177%0.769SS**  trans105.5136.7145-89.619.3000121.5
241K36.5Very low31.9Very low178 Ų178144.8 Ų144.877%0.77477%0.767SS**  trans90.3148.8146-75.5162.6-179.6115.20119.6
242P40.7Very low32.1Very low114 Ų114145.4 Ų145.474%0.7477%0.767SS**  trans-139.1-172.2-130.543.5-25.4000115.1
243S34.3Very low32.5Very low105 Ų105147.2 Ų147.273%0.73476%0.763SS**  -178.3131.4129.233.20000115.8
244N30.7Very low33Very low144 Ų144148.2 Ų148.277%0.7777%0.765SS**  trans31.5128.6139-52.2-7.2000122.3
245Y35.9Very low33.1Very low236 Ų236147.3 Ų147.393%0.92577%0.768SS**  -142.3156.9127.3-98.8-79.9000110.4
246L34.7Very low33.7Very low156 Ų156148.9 Ų148.982%0.81776%0.763SS**  trans-72.5171.2179.4-97.958.9000111.8
247E33.9Very low33.8Very low147 Ų147150.7 Ų150.769%0.68777%0.769SS**  cis-160.5177.926.2-150.6-174.2-163.100112.5
248K35.9Very low33.9Very low173 Ų173148 Ų14875%0.75276%0.763SS**  trans72.991.2165.7-63.4170.1-173.9171.30115.8
249S29.8Very low34.1Very low102 Ų102148.4 Ų148.471%0.71376%0.757SS**  79.5105.266.5-64.50000114.6
250H32.6Very low34Very low190 Ų190152 Ų15288%0.8876%0.762SS**  -171.5148.9114.3-90.2-63.2000110.7
251S31.3Very low33.9Very low112 Ų112152.7 Ų152.778%0.78377%0.766SS**  trans13.5138.7157.9-85.40000121.5
252T33.3Very low33.8Very low112 Ų112152.6 Ų152.669%0.68777%0.766SS**  cis-149.6142.121.738.90000115.3
253K35.8Very low33.4Very low185 Ų185154.5 Ų154.580%0.80477%0.77SS**  trans60129.3139.6-64.5178.7178.1-177.70121.6
254T34.8Very low33.4Very low125 Ų125152.7 Ų152.777%0.76777%0.768SS**  trans60.8132.2147.647.20000119.2
255D34.6Very low33.6Very low144 Ų144153.8 Ų153.877%0.7777%0.773SS**  cis-143.7177.52.3-138.2-33.9000113.8
256K36.5Very low33.6Very low174 Ų174149.9 Ų149.976%0.75777%0.768SS**  trans-108.4-176.6-172.2-66178.9179.2175.70112.5
257H35Very low33.7Very low172 Ų172146.6 Ų146.680%0.79676%0.758SS**  trans76.5109.9178.3-54.6-87.5000112.8
258N32.7Very low34Very low130 Ų130146.6 Ų146.670%0.69576%0.763SS**  cis77.1132.618.3-14218.2000115
259W33Very low34.2Very low198 Ų198145.6 Ų145.675%0.7577%0.765SS**  trans77.6100174.2-93.7-78.7000122.1
260F29.1Very low34.6Very low177 Ų177145.8 Ų145.878%0.77677%0.767SS**  65.4159.7129.9-87.2-118.5000122.5
261N30.9Very low34.8Very low133 Ų133140.3 Ų140.371%0.71176%0.762SS**  trans67.7125.7171.8-72.7-30.7000115.1
262K33.5Very low35.1Very low175 Ų175143 Ų14376%0.76176%0.763SS**  87.812357.5-89.6-165.5175.3-173.30113
263N32.7Very low35Very low154 Ų154145.6 Ų145.682%0.82477%0.767SS**  trans75.8155.1161.3-46.8-7.9000116.4
264G33.8Very low34.9Very low68 Ų68143.2 Ų143.270%0.70177%0.768SS**  trans86.5119.1-168.800000110.7
265L36.3Very low34.7Very low167 Ų167142.1 Ų142.187%0.87476%0.763SS**  cis67.7144.525.6-58.3174.1000115.1
266D35Very low34.6Very low154 Ų154141.3 Ų141.382%0.82476%0.763SS**  trans63.7131.7-170.9-54.3-11.5000114.7
267S37.7Very low34.4Very low87 Ų87140.3 Ų140.361%0.60877%0.766SS**  cis-152.1155.9-3.8-113.90000111.6
268D39.5Very low34.1Very low146 Ų146141.2 Ų141.278%0.78177%0.768SS**  trans25.9132.2137.8-43-56.2000118.8
269D40.3Very low34.1Very low152 Ų152143.6 Ų143.681%0.81378%0.775SS**  -143.5170.163.1-154.8-17.4000114.6
270S38.2Very low34Very low106 Ų106139.5 Ų139.574%0.74177%0.773SS**  trans-49.8142.6-17150.80000119.2
271G37.4Very low34Very low76 Ų76133.2 Ų133.278%0.78476%0.759SS**  trans-179.656.3176.600000112.8
272Q36.9Very low33.9Very low169 Ų169135 Ų13579%0.7977%0.767SS**  trans-40.9127.2-165.3-65.5-174.15.600117.7
273Q31.2Very low33.7Very low166 Ų166135.8 Ų135.878%0.77677%0.774SS**  47.9137118.4-57176.40.800118.7
274T33.5Very low33.4Very low134 Ų134134.1 Ų134.182%0.82277%0.769SS**  cis-134.3139.637.5-35.10000113.6
275P30.9Very low33.4Very low102 Ų102135.2 Ų135.266%0.66277%0.772SS**  trans-92.6-156.9171.139.1-35.6000112.1
276V31.8Very low32.9Very low128 Ų128132.4 Ų132.478%0.77676%0.761SS**  trans82.9128.2-179.2-170.90000112.6
277N32.6Very low32.6Very low153 Ų153132.5 Ų132.582%0.81876%0.761SS**  cis-114.1150.48.5-98.7-43.3000113.6
278F28.4Very low32.4Very low190 Ų190137 Ų13783%0.83377%0.77SS**  trans-103.3131154.8-115.2-88.2000107.3P280F278-P280 HydrophobicContact CD1-CG 4.23Å
279E32.4Very low32Very low180 Ų180134.6 Ų134.684%0.84176%0.764SS**  trans-128.898.3161.9-171175.9-115.700110.5
280P31Very low31.4Very low112 Ų112134.5 Ų134.573%0.72776%0.759SS**  trans-11074.8170.437-26.5000110.4F278F278-P280 HydrophobicContact CD1-CG 4.23Å
281G29.8Very low31.2Very low46 Ų46138 Ų13847%0.47476%0.761SS.*  trans-179.9135.5173.600000116.9
282L28Very low30.8Very low169 Ų169140.6 Ų140.689%0.88575%0.752SS**  trans69.7141.9163.8-48.3169.4000114.1
283Q31.2Very low30.5Very low192 Ų192141.8 Ų141.890%0.89775%0.751SS**  cis-130.4164.127.3-61.5179.91100114.9
284T26.3Very low30.5Very low119 Ų119140.5 Ų140.573%0.7375%0.745SS**  trans-79.9117.6-178.2-53.10000113.4V286T284-V286 HydrophobicContact CG2-CB 4.18Å; T284-V286 HydrophobicContact CG2-CG2 3.53Å
285A32.1Very low30.4Very low91 Ų91141.6 Ų141.675%0.75275%0.745SS**  trans-157.6106.7156.700000107.1
286V25.8Very low30.5Very low108 Ų108145 Ų14566%0.65575%0.752SS**  cis61.911428.6-178.60000112T284T284-V286 HydrophobicContact CG2-CB 4.18Å; T284-V286 HydrophobicContact CG2-CG2 3.53Å
287L28.8Very low30.6Very low156 Ų156147.3 Ų147.382%0.81775%0.752SS**  trans72.4134.3-176.2-57.6160.4000113.2
288K34.7Very low30.5Very low182 Ų182147.4 Ų147.479%0.79175%0.752SS**  cis-138.2152.916.7-68.3-179.7-179.7177.40114
289S31.1Very low30.7Very low95 Ų95144.9 Ų144.966%0.66476%0.755SS**  trans-6.8125.4151.554.30000116.7
290E27.9Very low30.6Very low150 Ų150138.9 Ų138.970%0.70174%0.741SS**  64.5120.472.8-177.1-179.3-154.100113.4H292E290-H292 HydrophobicContact CG-CB 4.16Å
291K33.5Very low30.7Very low181 Ų181141.9 Ų141.979%0.78775%0.751SS**  trans-133.953.8156.4-78.2-162.6174.9-176.70110.6Y293K291-Y293 PolarHBondContact O-N 3.49Å
292H28.8Very low30.7Very low130 Ų130145.4 Ų145.460%0.60277%0.769SS**  trans-65.1117.7147.5-95.8-106.4000107.2E290 Q294E290-H292 HydrophobicContact CG-CB 4.16Å; H292-Q294 HydrophobicContact CB-CB 4.48Å; H292-Q294 PolarHBondContact ND1-OE1 3.03Å; H292-Q294 PolarHBondContact O-N 3.21Å; H292-Q294 VanDerWaalsContact O-N 3.1Å
293Y29.7Very low30.8Very low193 Ų193143.9 Ų143.976%0.75777%0.766SS**  trans-83.157.3161.5-93-73.7000109.8K291 L295K291-Y293 PolarHBondContact O-N 3.49Å; Y293-L295 PolarHBondContact O-N 3.38Å
294Q31.3Very low30.8Very low139 Ų139139 Ų13965%0.6575%0.751SS**  trans-83.292.3159.7-123.984.723.300106.7H292 E296H292-Q294 HydrophobicContact CB-CB 4.48Å; H292-Q294 PolarHBondContact ND1-OE1 3.03Å; H292-Q294 PolarHBondContact O-N 3.21Å; H292-Q294 VanDerWaalsContact O-N 3.1Å; Q294-E296 PolarHBondContact O-N 2.75Å
295L32.6Very low31Very low157 Ų157140.8 Ų140.882%0.82275%0.754SS**  trans-79.871.9169.3-90.4168000109.7Y293 K297Y293-L295 PolarHBondContact O-N 3.38Å; L295-K297 PolarHBondContact O-N 3.16Å
296E31.8Very low30.9Very low173 Ų173143.1 Ų143.181%0.80875%0.753SS**  trans-84.678.4173.2-172.7178.9-166.300110.3Q294Q294-E296 PolarHBondContact O-N 2.75Å
297K34.5Very low30.9Very low178 Ų178143 Ų14377%0.77476%0.757SS**  trans-149.690.1165.5-73.8-156.4175.1-166.90111.8L295L295-K297 PolarHBondContact O-N 3.16Å
298D31.6Very low31Very low154 Ų154140.4 Ų140.482%0.82475%0.752SS**  175.2100.8116-89.1-8.1000111.1
299P30.9Very low30.7Very low138 Ų138137.9 Ų137.990%0.89675%0.752SS**  trans-96.988.2171.534.9-28.8000111
300G30.9Very low30.8Very low54 Ų54138.5 Ų138.556%0.55776%0.757SS**  trans147.9156.5173.200000113.5
301N32.5Very low30.8Very low175 Ų175137.6 Ų137.694%0.93676%0.762SS**  trans65.3117.2-171.1-49.2-34.7000112.8
302S31.1Very low30.8Very low120 Ų120137 Ų13784%0.83977%0.766SS**  cis-140.8156.614.248.90000114.3
303V29.8Very low31.1Very low137 Ų137137.1 Ų137.183%0.8377%0.771SS**  trans-131.5160.8-176.7164.20000105.4
304P32.1Very low31.4Very low89 Ų89135.3 Ų135.358%0.57878%0.775SS**  cis-123.6-169.1-4.737.5-19.9000113.5
305I30.3Very low31.4Very low157 Ų157136.1 Ų136.181%0.80578%0.783SS**  -170101.7123-91.2150.2000105.4
306L28.4Very low31.8Very low139 Ų139137.3 Ų137.373%0.72879%0.785SS**  55.3114.890.7-59.6175.9000111.8
307S27.5Very low31.9Very low105 Ų105134.6 Ų134.673%0.73479%0.785SS**  cis-148.1176.318.5-60.30000109.8
308S30.7Very low32.1Very low102 Ų102130.9 Ų130.971%0.71378%0.781SS**  cis-155.5130.826.7-54.30000114.8
309T28Very low32.5Very low129 Ų129131.8 Ų131.879%0.79178%0.778SS**  trans28110.3142.3580000122.4
310S32.2Very low32.8Very low109 Ų109131.8 Ų131.876%0.76277%0.771SS**  157.5109.711450.40000110.7
311T28.6Very low32.8Very low131 Ų131134.6 Ų134.680%0.80478%0.78SS**  65.594.661.969.10000115.8
312L33.6Very low32.9Very low169 Ų169135 Ų13589%0.88577%0.774SS**  -158.7159.9116.1-157.556.2000111.1
313D35.2Very low33.2Very low131 Ų131135.1 Ų135.170%0.70177%0.769SS**  trans-101.9-174.8-161.1-61.4-82.4000116.3
314N36Very low33.4Very low155 Ų155136.1 Ų136.183%0.82977%0.765SS**  trans89.3101.3155.1-65.8-38000119.5
315N31.6Very low33.4Very low156 Ų156137.2 Ų137.283%0.83477%0.771SS**  trans-58.2133144-52.6-77.6000110
316Q41Very low33.7Very low182 Ų182137.4 Ų137.485%0.8577%0.768SS**  -178.4126.4123.1-100.4167.520.600115
317S34.6Very low34Very low116 Ų116136.8 Ų136.881%0.81177%0.765SS**  trans77.7145.9145.683.80000122.1
318S37.6Very low34.2Very low100 Ų100139.6 Ų139.670%0.69977%0.766SS**  trans69.288.4142.2-158.40000121.9
319K39.9Very low34.5Very low174 Ų174142.8 Ų142.876%0.75778%0.775SS**  63.4113.9121.9-70.4-171.9174.3-1750121.6
320D38.2Very low34.7Very low138 Ų138142.9 Ų142.974%0.73877%0.771SS**  82.5131.8120.6-56.8-27.8000121.8
321C29.7Very low34.8Very low113 Ų113147.2 Ų147.276%0.76478%0.776SS**  trans82.588.1154.7-70.80000121.7
322K35.3Very low34.8Very low182 Ų182148.3 Ų148.379%0.79178%0.775SS**  trans78.7149.7133.7-59.6-178.3178-178.80119.2
323T37Very low34.7Very low123 Ų123146.1 Ų146.176%0.75577%0.768SS**  trans62.1142.2156.536.50000116.2
324E33.2Very low34.4Very low158 Ų158148.6 Ų148.674%0.73878%0.778SS**  cis-156.3165.1-13.4-164160.7163.900106.8
325T33.2Very low34.3Very low113 Ų113146.1 Ų146.169%0.69377%0.768SS**  trans22.1134.9163.951.20000120.8
326Q36Very low34.3Very low161 Ų161143.7 Ų143.775%0.75276%0.761SS**  147.9137.3105.4-163.7134.914.500114.1
327N34.9Very low33.9Very low125 Ų125141 Ų14167%0.66876%0.759SS**  trans65.7130.9159.8-68.4-6.4000121.1
328H32.8Very low34Very low164 Ų164143.6 Ų143.676%0.75976%0.758SS**  trans31.9115140.5-66.7-90.9000119.9
329L35.6Very low33.9Very low169 Ų169144.5 Ų144.589%0.88576%0.762SS**  -159.3145.8113.7-107.4163.2000110.9
330D31.7Very low33.5Very low132 Ų132143.2 Ų143.271%0.70676%0.763SS**  trans-72.9144.5-170.8-54-91.8000113.8
331K34.7Very low33.1Very low200 Ų200144.4 Ų144.487%0.8777%0.768SS**  trans-156.991.9151.3-109136.4-166.8172.90113.9
332I30Very low33.4Very low154 Ų154146.1 Ų146.179%0.7977%0.769SS**  trans48.399.2139.9-52.8175.4000115.9
333V29.9Very low33.2Very low122 Ų122148 Ų14874%0.73977%0.771SS**  trans-75.7127.3165.4172.50000110V335V333-V335 HydrophobicContact CG1-CB 4.01Å; V333-V335 HydrophobicContact CG1-CG2 3.51Å
334M29.9Very low32.9Very low183 Ų183152.1 Ų152.190%0.90178%0.779SS**  trans-101.993.1157.5-83.2-166.169.300109.7
335V33Very low32.9Very low103 Ų103152.8 Ų152.862%0.62478%0.782SS**PPolyproline II helixtrans-87.6136.5168.5147.30000108.7V333V333-V335 HydrophobicContact CG1-CB 4.01Å; V333-V335 HydrophobicContact CG1-CG2 3.51Å
336P32.8Very low32.7Very low105 Ų105158.5 Ų158.568%0.68279%0.791SS**PPolyproline II helixtrans-63.7143.5171.728.5-34.6000109.8Q338P336-Q338 PolarHBondContact O-N 2.79Å; P336-Q338 VanDerWaalsContact O-N 3.16Å
337P32.8Very low32.4Very low127 Ų127156.5 Ų156.583%0.82579%0.792SS**PPolyproline II helixtrans-60.7120.7-171.223.7-34000111.8
338Q34.9Very low32.4Very low169 Ų169158.8 Ų158.879%0.7980%0.798SS**PPolyproline II helixtrans-72.4134164-70.2-173.6-25.800108.8P336P336-Q338 PolarHBondContact O-N 2.79Å; P336-Q338 VanDerWaalsContact O-N 3.16Å
339P35.7Very low32.4Very low119 Ų119159 Ų15977%0.77380%0.797SS**PPolyproline II helixtrans-71.2138.7167.230-33000110.2
340D33Very low32.3Very low147 Ų147156.2 Ų156.279%0.78679%0.788SS**PPolyproline II helixtrans-61.8136.1-168.1-64.7-77.1000115.3L342D340-L342 PolarHBondContact O-N 2.99Å
341I29.6Very low32.3Very low164 Ų164157.7 Ų157.784%0.84180%0.797SS**  trans-86.779.4167.2-55.3177.5000109.1
342L34.9Very low32.1Very low149 Ų149153.2 Ų153.278%0.7879%0.786SS**  trans-118.386.9169.9-75.8179.3000112.7D340D340-L342 PolarHBondContact O-N 2.99Å
343R30.7Very low32.1Very low220 Ų220153.5 Ų153.583%0.8379%0.787SS**  trans14.2121.1144.5-54.7175.5-176.8-134.40.9117.4
344F31.8Very low32.2Very low211 Ų211154.1 Ų154.193%0.92579%0.785SS**  -152.3150.2122.8-109.5-70.4000111.2
345E32Very low32.1Very low171 Ų171150 Ų15080%0.79978%0.78SS**  trans-90.3141.1-171.3-57.7168.8101.100113.3
346R29.8Very low32Very low234 Ų234152.4 Ų152.488%0.88379%0.79SS**  178.3113.6124.2-100.5167.9-176.41674.1113.4
347P28.9Very low32Very low118 Ų118153.7 Ų153.777%0.76679%0.786SS**  trans-104.6102.3171.134.8-27.3000112.8
348H35.5Very low31.9Very low173 Ų173157.4 Ų157.480%0.80178%0.784SS**  trans-152.2131.6174.8-84.4-17.2000109.6
349K32.5Very low32.1Very low170 Ų170157.4 Ų157.474%0.73979%0.788SS**  cis-140.4157.1-7-69.9176.1177.4174.70108.7
350P33.4Very low32.1Very low109 Ų109159.5 Ų159.571%0.70879%0.793SS**  trans-70.5142.6154.731.7-32.5000110.2V352P350-V352 VanDerWaalsContact C-N 3.35Å; P350-V352 HydrophobicContact CG-CG2 4.37Å; P350-V352 PolarHBondContact O-N 2.83Å
351N32.2Very low32.2Very low164 Ų164156.2 Ų156.288%0.87779%0.794SS**  trans-74.784.6174.1-80.1-14.5000110.8I353N351-I353 PolarHBondContact O-N 3.03Å
352V31.3Very low32.3Very low105 Ų105158.1 Ų158.164%0.63680%0.8SS**  trans-84.5106.4166.2-170.80000108.2P350 I354P350-V352 VanDerWaalsContact C-N 3.35Å; P350-V352 HydrophobicContact CG-CG2 4.37Å; P350-V352 PolarHBondContact O-N 2.83Å; V352-I354 VanDerWaalsContact C-N 3.34Å; V352-I354 HydrophobicContact CG1-CD1 4.34Å; V352-I354 HydrophobicContact CG1-CG1 3.7Å; V352-I354 PolarHBondContact O-N 3.27Å
353I30.1Very low32.2Very low160 Ų160154.5 Ų154.582%0.82180%0.799SS**  trans-75.691.4169.7-57.8175.1000107.3N351 A355N351-I353 PolarHBondContact O-N 3.03Å; I353-A355 PolarHBondContact O-N 2.99Å
354I30.8Very low32.3Very low135 Ų135150.7 Ų150.769%0.69280%0.799SS**  trans-86.299.8164-53.5-176.6000106.6V352 D356V352-I354 VanDerWaalsContact C-N 3.34Å; V352-I354 HydrophobicContact CG1-CD1 4.34Å; V352-I354 HydrophobicContact CG1-CG1 3.7Å; V352-I354 PolarHBondContact O-N 3.27Å; I354-D356 HydrophobicContact CG2-CB 4.22Å; I354-D356 PolarHBondContact O-N 3.03Å
355A28.9Very low32.3Very low98 Ų98146.8 Ų146.881%0.8179%0.793SS**  trans-81100159.600000106.9I353I353-A355 PolarHBondContact O-N 2.99Å
356D31.3Very low32.5Very low153 Ų153145.2 Ų145.282%0.81880%0.795SS**  trans-105.2139.9165.8-155-3000108.8I354I354-D356 HydrophobicContact CG2-CB 4.22Å; I354-D356 PolarHBondContact O-N 3.03Å
357E31.5Very low32.7Very low131 Ų131140.6 Ų140.661%0.61278%0.783SS**  trans-117.3145.2-166.1-165.7-164.5-121.600109.4
358R31.8Very low33.1Very low205 Ų205145 Ų14577%0.77479%0.79SS**  trans79.7123.8177.9-43.4131.2-162.3-146.8-1.6114.9
359L37.5Very low33.1Very low169 Ų169144 Ų14489%0.88579%0.786SS**  -161.2152.390.9-100.4165.3000111.2
360N36.5Very low33.2Very low163 Ų163142 Ų14287%0.87279%0.793SS**  trans-90.7152.3179.6-53.7-30.7000110.1
361G34.8Very low33.2Very low79 Ų79145.4 Ų145.481%0.81480%0.799SS**  trans171.9117.6169.700000114.2
362E31.3Very low33.2Very low204 Ų204142 Ų14295%0.95379%0.794SS**  trans-55.9152.5-175.6-61.2160.8106.800115.6
363G33.3Very low33.2Very low73 Ų73141 Ų14175%0.75380%0.797SS**  trans-159.228.5-173.400000118.2
364V33.6Very low33.3Very low140 Ų140141.8 Ų141.885%0.84880%0.802SS**  trans48.6122.2163.9-173.80000119.2
365V32.3Very low33.3Very low129 Ų129141.1 Ų141.178%0.78281%0.81SS**  trans-82.6142.9171.9174.50000111.9
366T36.2Very low33.3Very low138 Ų138140.9 Ų140.985%0.84780%0.802SS**  trans-126120.5153.755.90000110.3
367E32.5Very low33.4Very low137 Ų137139.3 Ų139.364%0.6480%0.8SS**  trans-89.6147.3-171.6-174.3-178.6167.800112.5Q369E367-Q369 HydrophobicContact CG-CG 4.06Å; E367-Q369 WeakPolarHBondContact OE1-CG 3.32Å; E367-Q369 PolarHBondContact OE1-NE2 2.99Å
368K37Very low33.3Very low210 Ų210140.1 Ų140.191%0.91381%0.809SS**  trans-134.1118.4156.7-93.4-166.3172.8-1750109.6
369Q36.7Very low33.4Very low153 Ų153138 Ų13872%0.71581%0.807SS**  trans-83.4144.3-175.5-66.3172.5-16.600112.3E367E367-Q369 HydrophobicContact CG-CG 4.06Å; E367-Q369 WeakPolarHBondContact OE1-CG 3.32Å; E367-Q369 PolarHBondContact OE1-NE2 2.99Å
370S34.5Very low32.9Very low126 Ų126137.6 Ų137.688%0.88181%0.805SS**  trans-144.5133.4145.5520000108
371E33.9Very low32.8Very low181 Ų181138.9 Ų138.985%0.84680%0.803SS**  trans-125.2130.9-152.7-178.9-176.3-160.300112.7
372A30.7Very low32.6Very low93 Ų93142.9 Ų142.977%0.76980%0.801SS**  trans-165.693.9160.200000109.1
373A32.5Very low32.5Very low85 Ų85140.7 Ų140.770%0.70279%0.792SS**  62.581.186.900000113
374L31.1Very low32.4Very low176 Ų176144.5 Ų144.592%0.92179%0.79SS**  77.2103.387.1-76171.9000115.8
375S30.8Very low32.2Very low121 Ų121144.1 Ų144.185%0.84678%0.782SS**  -166.7140127.1-167.30000110.4
376S28.9Very low32.1Very low92 Ų92141.6 Ų141.664%0.64377%0.77SS**  trans-95.2160.1-176.660.40000113.1
377P33.2Very low31.8Very low120 Ų120139 Ų13978%0.77976%0.758SS**  -120121.1128.433.1-29.9000111.5Q379P377-Q379 PolarHBondContact O-N 2.94Å
378N29.3Very low31.7Very low149 Ų149139.7 Ų139.780%0.79777%0.766SS**  trans-69.2108.1163.3-83-38.4000109.3
379Q34Very low31.3Very low159 Ų159138.1 Ų138.174%0.74376%0.76SS**  trans-154.989.2157.6-122.5153.9104.200113P377 F381P377-Q379 PolarHBondContact O-N 2.94Å; Q379-F381 WeakPolarHBondContact O-CD2 3.29Å; Q379-F381 PolarHBondContact O-N 2.88Å; Q379-F381 VanDerWaalsContact O-N 3.08Å
380L28.7Very low30.9Very low162 Ų162135.8 Ų135.885%0.84876%0.76SS**  trans3.488.7140.6-167.394.8000116.2
381F33.7Very low30.7Very low189 Ų189139.5 Ų139.583%0.82976%0.755SS**  trans-113.4118.6160.2-88-79.8000110.4Q379 M383Q379-F381 WeakPolarHBondContact O-CD2 3.29Å; Q379-F381 PolarHBondContact O-N 2.88Å; Q379-F381 VanDerWaalsContact O-N 3.08Å; F381-M383 PolarHBondContact O-N 3.46Å
382H30.6Very low30.6Very low163 Ų163137 Ų13776%0.75575%0.752SS**  trans-60.5106172.7-95.1-84000110Q384H382-Q384 VanDerWaalsContact C-N 3.32Å; H382-Q384 HydrophobicContact CB-CG 4.2Å; H382-Q384 PolarHBondContact O-N 3.44Å; H382-Q384 VanDerWaalsContact O-N 3.09Å
383M29.3Very low30.6Very low158 Ų158138.4 Ų138.478%0.77874%0.743SS**  trans-73.795.7153.8-166.5170.374.400106.9F381 I385F381-M383 PolarHBondContact O-N 3.46Å; M383-I385 HydrophobicContact CE-CD1 4.18Å; M383-I385 HydrophobicContact CE-CG1 4.28Å; M383-I385 PolarHBondContact O-N 2.86Å
384Q30.9Very low30.6Very low153 Ų153143.4 Ų143.472%0.71574%0.743SS**  trans-68.582178.3-73.2-173.2-91.500110.8H382 S386H382-Q384 VanDerWaalsContact C-N 3.32Å; H382-Q384 HydrophobicContact CB-CG 4.2Å; H382-Q384 PolarHBondContact O-N 3.44Å; H382-Q384 VanDerWaalsContact O-N 3.09Å; Q384-S386 PolarHBondContact O-N 2.89Å
385I29Very low30.8Very low132 Ų132141.2 Ų141.268%0.67773%0.732SS**  trans-67.783.8148.3-50.4173.7000105.2M383 S387M383-I385 HydrophobicContact CE-CD1 4.18Å; M383-I385 HydrophobicContact CE-CG1 4.28Å; M383-I385 PolarHBondContact O-N 2.86Å; I385-S387 PolarHBondContact O-N 3.25Å
386S30.3Very low30.8Very low76 Ų76145.1 Ų145.153%0.53173%0.728SS.*  trans-71.573.7174.1-78.90000109.9Q384 D388Q384-S386 PolarHBondContact O-N 2.89Å; S386-D388 PolarHBondContact O-N 3.43Å
387S29.6Very low31.2Very low85 Ų85147.2 Ų147.259%0.59473%0.731SS**  trans-67.975.1156.457.30000108.3I385 F389I385-S387 PolarHBondContact O-N 3.25Å; S387-F389 PolarHBondContact O-N 2.88Å
388D30.6Very low31.3Very low150 Ų150150.4 Ų150.480%0.80273%0.732SS**  trans-67.784.2172.2-82.9-17.4000109.2S386S386-D388 PolarHBondContact O-N 3.43Å
389F28.7Very low31.4Very low178 Ų178148.3 Ų148.378%0.78173%0.729SS**  trans-51149.4164.2-102.2-107.7000110.3S387S387-F389 PolarHBondContact O-N 2.88Å
390S28.6Very low31.6Very low103 Ų103146.4 Ų146.472%0.7273%0.731SS**  trans60.159.8153.160.80000118
391R30.7Very low31.8Very low204 Ų204142.9 Ų142.977%0.7772%0.72SS**  trans-136.963.9140.2-117.1-178.2-152.6-114.25.8113.9E393R391-E393 IonicContact CZ-OE2 2.64Å; R391-E393 IonicContact NH1-OE1 2.67Å; R391-E393 IonicContact NH1-OE2 3.4Å; R391-E393 PolarHBondContact NH1-OE2 3.35Å; R391-E393 PolarHBondContact O-N 3.32Å
392T30.5Very low31.8Very low129 Ų129139.6 Ų139.679%0.79172%0.717SS**  trans-69.465.5158.1-32.60000109.5R394T392-R394 HydrophobicContact CG2-CG 4.48Å; T392-R394 PolarHBondContact O-N 2.93Å
393E32.6Very low31.8Very low122 Ų122136.6 Ų136.657%0.5771%0.714SS**  trans-71.781.3178.5-170148.4-169.500109R391 L395R391-E393 IonicContact CZ-OE2 2.64Å; R391-E393 IonicContact NH1-OE1 2.67Å; R391-E393 IonicContact NH1-OE2 3.4Å; R391-E393 PolarHBondContact NH1-OE2 3.35Å; R391-E393 PolarHBondContact O-N 3.32Å; E393-L395 PolarHBondContact O-N 2.89Å
394R31.6Very low31.9Very low190 Ų190138.9 Ų138.972%0.71772%0.716SS**  trans-61.388.8168.6-67.9173.675.6168.16.3107T392 R396T392-R394 HydrophobicContact CG2-CG 4.48Å; T392-R394 PolarHBondContact O-N 2.93Å; R394-R396 PolarHBondContact O-N 3.27Å
395L35.3Very low31.8Very low130 Ų130137.4 Ų137.468%0.68172%0.723SS**  trans-60.185.6165.2-79176.8000108.2E393 I397E393-L395 PolarHBondContact O-N 2.89Å; L395-I397 HydrophobicContact CB-CG1 4.37Å; L395-I397 PolarHBondContact O-N 3.02Å
396R31.4Very low32Very low203 Ų203135.5 Ų135.577%0.76672%0.721SS**  trans-6955.1162-70.6-174.6172.5119.3-14.7109.1R394 K398R394-R396 PolarHBondContact O-N 3.27Å; R396-K398 VanDerWaalsContact C-N 3.31Å; R396-K398 PolarHBondContact O-N 3.07Å
397I36.8Very low32Very low136 Ų136137.9 Ų137.970%0.69774%0.737SS**  trans-67.9104.5157.7-62.3178.9000104L395 S399L395-I397 HydrophobicContact CB-CG1 4.37Å; L395-I397 PolarHBondContact O-N 3.02Å; I397-S399 PolarHBondContact O-N 3.46Å
398K34.9Very low32.2Very low188 Ų188140.2 Ų140.282%0.81775%0.748SS**  trans-57.5111.5-177.5-57.8165.4-175.8173.30107.3R396 P400R396-K398 VanDerWaalsContact C-N 3.31Å; R396-K398 PolarHBondContact O-N 3.07Å; K398-P400 WeakPolarHBondContact O-CD 3.39Å
399S32Very low32.3Very low105 Ų105136.4 Ų136.473%0.73474%0.744SS**  trans-64.4115.5161.239.70000107.1I397 S401I397-S399 PolarHBondContact O-N 3.46Å; S399-S401 PolarHBondContact O-N 2.74Å; S399-S401 VanDerWaalsContact O-N 3.15Å
400P37.9Very low32.4Very low118 Ų118134.2 Ų134.277%0.76675%0.751SS**  trans-75.5105.9170.8-1.520.7000105.8K398 P402K398-P400 WeakPolarHBondContact O-CD 3.39Å; P400-P402 WeakPolarHBondContact O-CD 3.34Å
401S32.6Very low32.5Very low89 Ų89134.9 Ų134.962%0.62276%0.756SS**  trans-54.6123165.5-58.70000107.8S399 S403S399-S401 PolarHBondContact O-N 2.74Å; S399-S401 VanDerWaalsContact O-N 3.15Å; S401-S403 PolarHBondContact O-N 2.97Å
402P34.1Very low32.6Very low120 Ų120129.3 Ų129.378%0.77975%0.753SS**  trans-76.860.6178.831.9-35000110.5P400 Y404P400-P402 WeakPolarHBondContact O-CD 3.34Å; P402-Y404 PolarHBondContact O-N 2.94Å
403S30.2Very low32.8Very low99 Ų99130.5 Ų130.569%0.69275%0.754SS**  trans-78.560.4177.6-610000110.8S401 S405S401-S403 PolarHBondContact O-N 2.97Å; S403-S405 VanDerWaalsContact C-N 3.25Å; S403-S405 PolarHBondContact O-N 2.99Å
404Y31.3Very low32.9Very low206 Ų206128.6 Ų128.681%0.80876%0.755SS**  trans-75.676.5174.2-92.2-80000111.4P402 S406P402-Y404 PolarHBondContact O-N 2.94Å; Y404-S406 PolarHBondContact O-N 3.21Å
405S29.9Very low33.1Very low123 Ų123127.5 Ų127.586%0.8676%0.756SS**  trans-82.279.8161.4-64.70000110S403S403-S405 VanDerWaalsContact C-N 3.25Å; S403-S405 PolarHBondContact O-N 2.99Å
406S32.3Very low33.2Very low92 Ų92129.3 Ų129.364%0.64376%0.76SS**  trans-101.784.2170.859.20000110.8Y404 V408Y404-S406 PolarHBondContact O-N 3.21Å; S406-V408 PolarHBondContact O-N 3.23Å
407S30.2Very low33.5Very low125 Ų125124.5 Ų124.587%0.87476%0.758SS**  trans-70.3105.5167.9179.20000109.6
408V34.8Very low33.5Very low135 Ų135125.2 Ų125.282%0.81876%0.762SS**  trans-131110.1163.3-172.90000106.6S406S406-V408 PolarHBondContact O-N 3.23Å
409G31.2Very low33.7Very low69 Ų69121.8 Ų121.871%0.71176%0.759SS**  trans-93.5150.4-177.200000112.8
410S31.8Very low34Very low132 Ų132122.8 Ų122.892%0.92376%0.763SS**  trans-137.8144.1154.1-83.10000108.3
411S29.9Very low34Very low118 Ų118128.1 Ų128.183%0.82577%0.767SS**  trans-114-173.4-168.755.30000112.7
412A33.9Very low34.3Very low86 Ų86129.2 Ų129.271%0.71177%0.772SS**  trans74.2138.5-166.500000113.8
413N34.6Very low34.3Very low154 Ų154130.9 Ų130.982%0.82477%0.77SS**  cis-159.4161.4-0.2-110.1-16.7000108.5
414S34.1Very low34.8Very low83 Ų83134.9 Ų134.958%0.5877%0.771SS**  cis-162.4-163.2-9.9-167.80000108.7
415F36Very low35.2Very low167 Ų167132.7 Ų132.773%0.73277%0.768SS**  trans68.2100.2174.1-55.1-78.1000115.2
416Q37.9Very low35.5Very low167 Ų167132.3 Ų132.378%0.7877%0.765SS**  70130.186-70.1173.8-5.100113.2
417S36.1Very low35.5Very low103 Ų103133.1 Ų133.172%0.7277%0.771SS**  cis-156.9138.49.618.70000109.5
418I37.4Very low36.2Very low151 Ų151133 Ų13377%0.77477%0.768SS**  72.5133.173.1-74.8170.7000113.4
419P38.9Very low36.3Very low116 Ų116133.3 Ų133.375%0.75377%0.769SS**  cis-140.5-133.9-16.844.8-21.7000114.5
420P38Very low36.5Very low126 Ų126134.4 Ų134.482%0.81877%0.766SS**  trans-133.7-152.5-134.840.3-13.2000117.6
421R38.7Very low36.9Very low229 Ų229136.3 Ų136.386%0.86476%0.761SS**  trans-115.1156.1-164.3-178.8-164.3-169.3-164.18.3114
422P39.4Very low37.2Very low112 Ų112136 Ų13673%0.72775%0.754SS**  trans-138.3-166144.340.4-26.7000113.5
423E34.4Very low37.3Very low155 Ų155140.9 Ų140.972%0.72476%0.759SS**  -156.2-163.2-87.6-147.6170.9-125.900110.1
424Y39.6Very low37.3Very low183 Ų183138.3 Ų138.372%0.71876%0.76SS**  trans78.3148.4173.4-41.8-45.6000118.3
425H39.9Very low37.2Very low160 Ų160142.1 Ų142.174%0.74177%0.768SS**  cis-169.6157.5-22.2-101.6-26.2000113.8
426S36.5Very low37.4Very low115 Ų115143.4 Ų143.480%0.80478%0.776SS**  trans83.4164.9149.6-63.30000123.6
427S32.3Very low37.2Very low110 Ų110141.4 Ų141.477%0.76978%0.78SS**  trans-147173.4-155.4-52.30000114.9
428P44.3Very low37.3Very low123 Ų123140.2 Ų140.280%0.79978%0.784SS**  trans-111.9178-156.542.8-37.8000118.9
429T37.4Very low37.2Very low140 Ų140137.3 Ų137.386%0.85978%0.783SS**  trans-174.4162.6176.1-84.10000110.5
430S35.8Very low37.2Very low92 Ų92138.9 Ų138.964%0.64378%0.784SS**  -166.5-165.1-51.974.50000110.3
431Q39Very low37.1Very low173 Ų173143.5 Ų143.581%0.80879%0.785SS**  trans76.6157.5168.6-59.7-145.243.500119.2
432T36.7Very low36.9Very low112 Ų112137.8 Ų137.869%0.68778%0.78SS**  cis-161.6161.3-21.5-89.40000112.2
433K35.6Very low36.7Very low187 Ų187138 Ų13881%0.81379%0.785SS**  trans-47163.9-176-51.7165.7179.1173.50121.5
434A35.3Very low36.7Very low101 Ų101135.5 Ų135.584%0.83578%0.784SS**  trans-148.8165.914500000112.6
435H32.7Very low36.4Very low163 Ų163132.5 Ų132.576%0.75578%0.784SS**  trans-142.2151.5-175.2-91-95.4000112.6
436H40.1Very low36.1Very low194 Ų194132.5 Ų132.590%0.89879%0.785SS**  trans-148.4168.7157.8-79.6-60.2000112.4
437S34.2Very low35.7Very low125 Ų125137.4 Ų137.487%0.87479%0.786SS**  trans-158.6161.6-155.451.70000117.1
438G37Very low35.8Very low77 Ų77138.5 Ų138.579%0.79479%0.787SS**  trans108.3160.8164.400000116.6
439A36.6Very low35.3Very low91 Ų91139 Ų13975%0.75278%0.782SS**  cis-171.1172.9-18.100000112
440L37.3Very low35.4Very low149 Ų149138.3 Ų138.378%0.7878%0.78SS**  trans95.9109.4155.6-53.7176000123.6
441R36.2Very low35.4Very low223 Ų223142.6 Ų142.684%0.84279%0.789SS**  72.198123.7-68.2-177.4165.2169.5-5.9125.4
442S34.8Very low35.3Very low109 Ų109140.5 Ų140.576%0.76279%0.793SS**  49.7144.4108.4-48.40000126.3
443S35.5Very low35.3Very low117 Ų117140.1 Ų140.182%0.81880%0.796SS**  trans75.7154.3150.571.90000120.1
444S33.9Very low35.4Very low102 Ų102141.2 Ų141.271%0.71380%0.8SS**  cis-175.4157.7-24.755.40000113.5
445V34.1Very low35.3Very low120 Ų120145 Ų14573%0.72780%0.801SS**  trans76.7101.2147.7166.90000122
446Q32.2Very low35.5Very low159 Ų159143.1 Ų143.174%0.74380%0.801SS**  79.2145.3117.1-148.2-178.712.900124.7
447R29.2Very low35Very low219 Ų219140.6 Ų140.683%0.82679%0.793SS**  trans81.2152.9174.2-52.4179-74.4-136.3-1.2114.3
448V34.6Very low35.1Very low133 Ų133145.9 Ų145.981%0.80679%0.794SS**  cis-138.6158.320173.20000111.6
449I32.4Very low34.8Very low134 Ų134148.7 Ų148.769%0.68779%0.79SS**  trans-112.8138.5166.8-61.9167.9000109.9
450P41.3Very low34.8Very low124 Ų124155.8 Ų155.881%0.80580%0.797SS**  trans-100.7133.9160.634.4-26.4000112.1
451H34.2Very low34.4Very low182 Ų182154.8 Ų154.884%0.84379%0.792SS**  trans-92.6156.2174-65.5-107.5000111.6
452S37.9Very low34.2Very low129 Ų129148.4 Ų148.490%0.90278%0.782SS**  trans-151.7141.4152.9-170.10000109.5
453S35.7Very low34.1Very low105 Ų105153.3 Ų153.373%0.73479%0.785SS**  trans-124.5156.6-166.657.20000113.2
454K38.9Very low33.9Very low209 Ų209154.7 Ų154.791%0.90978%0.783SS**  trans-167.4134135.9-106.7159.6-172.9179.30111.6
455E33.2Very low33.9Very low182 Ų182156 Ų15685%0.8579%0.787SS**  trans-90.6163.6174.5-58.1153.3106.200110.6
456T35.7Very low34Very low122 Ų122155.8 Ų155.875%0.74879%0.788SS**  -171.1136.7128-77.50000108.7
457L30.3Very low34Very low142 Ų142153.3 Ų153.374%0.74379%0.789SS**  trans-137.4123-173.9-148.1176.8000108.7I459L457-I459 HydrophobicContact CD2-CD1 3.98Å; L457-I459 HydrophobicContact CD2-CG1 3.9Å
458W36.7Very low34.3Very low235 Ų235151.1 Ų151.189%0.8979%0.788SS**  trans-137133.2174.1-74.184.6000111
459I30.5Very low34.3Very low136 Ų136151.8 Ų151.870%0.69779%0.787SS**  trans-130.9130.7179.2-61.4169.5000107.5L457L457-I459 HydrophobicContact CD2-CD1 3.98Å; L457-I459 HydrophobicContact CD2-CG1 3.9Å
460R35.4Very low34.4Very low241 Ų241150 Ų15091%0.90978%0.784SS**  trans-158.999.4160.8-129.6173.7-176.11730.8116.1
461N30.8Very low34Very low127 Ų127155 Ų15568%0.67979%0.788SS**  trans30.6123.2133.5-60.216.3000121.9
462S30.8Very low34Very low89 Ų89157 Ų15762%0.62279%0.788SS**  66.9133122.5-49.80000121.6
463Y33.5Very low33.7Very low213 Ų213155.3 Ų155.384%0.83578%0.777SS**  -174.6173.489.3-97-70.5000112.9
464N31Very low33.6Very low145 Ų145157.1 Ų157.178%0.77578%0.778SS**  trans-77.2174.6-177-54.1-46.3000111.6
465T33.6Very low33.4Very low129 Ų129153.2 Ų153.279%0.79177%0.771SS**  cis-161162.437.845.50000113.6
466P35.5Very low33.3Very low117 Ų117153 Ų15376%0.7677%0.767SS**  trans-98.9170.2171.439.7-35.4000114.4
467S33.4Very low33.2Very low107 Ų107152.4 Ų152.475%0.74877%0.768SS**  161.5157.2123.7630000116.6
468Q35.1Very low33.1Very low172 Ų172150.6 Ų150.680%0.80477%0.767SS**  trans52.6129.9161-44.6-151.9-2.600119.3
469N34.4Very low32.9Very low148 Ų148145 Ų14579%0.79176%0.764SS**  -168.3129.265.9-147.2-10.3000113.3
470P34.8Very low33Very low97 Ų97143 Ų14363%0.6376%0.762SS**  trans-113.2152.2168.437.8-29.1000112.9
471Y32.4Very low32.7Very low228 Ų228137.8 Ų137.889%0.89475%0.751SS**  trans175.3156.2142.2-101.3-61.8000113.9
472R34.1Very low33Very low223 Ų223136 Ų13684%0.84275%0.747SS**  trans68.5118.2174.1-64.5175.4176.4-99.9-1.6115.6
473S32.6Very low33Very low95 Ų95138.5 Ų138.566%0.66475%0.752SS**  cis75.313935.691.50000113.6
474L32.1Very low32.9Very low143 Ų143134.5 Ų134.575%0.74976%0.755SS**  cis-167.3-1680.4-125.2172.2000108.4
475V36.2Very low32.9Very low126 Ų126131 Ų13176%0.76475%0.753SS**  trans75.8112.3174.4-168.90000113
476K31.5Very low32.9Very low178 Ų178131.5 Ų131.577%0.77476%0.756SS**  cis90.714737.1-69.5-169.3171.7-174.60114.8
477S33.3Very low33Very low110 Ų110131.8 Ų131.877%0.76976%0.758SS**  trans76.7118.2177.6-49.50000114.2
478S28.3Very low32.8Very low104 Ų104131.2 Ų131.273%0.72775%0.754SS**  cis79.2136.828.391.30000115.2
479S31.9Very low32.6Very low116 Ų116129.7 Ų129.781%0.81175%0.751SS**  trans68.8152.7-170.577.40000114.4
480S32.5Very low32.5Very low95 Ų95128.7 Ų128.766%0.66475%0.745SS**  cis165.1154.9-45.353.10000108.4
481I29.9Very low32.4Very low132 Ų132130.2 Ų130.268%0.67775%0.748SS**  trans82.6144.7169.6-56.9167.6000114.3M687I481-M687 HydrophobicContact CG2-CE 4.39Å
482P36.3Very low32.5Very low90 Ų90123.5 Ų123.558%0.58474%0.735SS**  trans-119-161.5-166.738.7-20.3000114
483L31.7Very low32.5Very low140 Ų140118.4 Ų118.473%0.73373%0.728SS**  trans96.3132.6164.9-64.7169.7000120.1
484S29.9Very low32.6Very low129 Ų129120.4 Ų120.490%0.90273%0.73SS**  trans70.8153.3157.476.50000118.4
485G32.2Very low32.7Very low71 Ų71119.2 Ų119.273%0.73273%0.731SS**  trans122.851.3171.500000116.5P487G485-P487 WeakPolarHBondContact O-CD 3.39Å
486T32.6Very low32.5Very low140 Ų140121.8 Ų121.886%0.85973%0.732SS**  trans-72132.6161.246.70000111
487P37.9Very low32.4Very low123 Ų123119.5 Ų119.580%0.79973%0.727SS**  trans-97.6110.3146.22.818.3000108.1G485G485-P487 WeakPolarHBondContact O-CD 3.39Å
488S29.2Very low32.2Very low96 Ų96120.4 Ų120.467%0.67173%0.728SS**  trans-64.3141.1155.553.30000109.1
489N30.2Very low32.3Very low139 Ų139121 Ų12174%0.74373%0.732SS**  trans149.9142.4152.6-78.6-8.6000109.1
490L32.5Very low32.4Very low127 Ų127120.8 Ų120.867%0.66573%0.728SS**  cis-158.1166.6-10.1-120.7166.8000107.1
491D32.3Very low32.2Very low129 Ų129126.1 Ų126.169%0.6974%0.739SS**  trans68.1141.6155-76.1-49.9000119.1
492S35.2Very low32.5Very low88 Ų88125.6 Ų125.662%0.61575%0.747SS**  cis-160.2155.5-3.8-135.20000114.8
493V35.5Very low32.3Very low115 Ų115129.7 Ų129.770%0.69776%0.759SS**  trans67.4101.4137.2165.50000120.4
494I33.1Very low32.5Very low137 Ų137128.1 Ų128.170%0.70376%0.757SS**  trans78.1127.5130.1-65.2-179.1000119.9
495P34.4Very low32.7Very low118 Ų118128.9 Ų128.977%0.76675%0.749SS**  trans-82.814716735.1-34.3000112.6
496K32.7Very low32.7Very low180 Ų180130.1 Ų130.178%0.78375%0.747SS**  trans-136.8114.2159.6-85.3-155.4171.7-178.60109.2
497I28.8Very low32.8Very low130 Ų130128.8 Ų128.867%0.66774%0.743SS**  86.6109.984.4-78.8175.7000111
498T29.2Very low32.6Very low130 Ų130127.5 Ų127.580%0.79874%0.737SS**  trans35.8132.3152.165.50000120.4
499S30.1Very low32.9Very low116 Ų116130.1 Ų130.181%0.81174%0.744SS**  -166173.7108.974.50000108.6
500P35.1Very low32.9Very low112 Ų112127.8 Ų127.873%0.72774%0.737SS**  -126.7-179.2-117.528-4.2000114.9S502P500-S502 PolarHBondContact O-N 3.37Å
501F27.3Very low33.3Very low206 Ų206127.5 Ų127.590%0.90474%0.736SS**  trans-52.5131.3156.3-112.8-100.3000110.2Q503F501-Q503 PolarHBondContact O-N 3.13Å
502S37Very low33.7Very low121 Ų121126.6 Ų126.685%0.84673%0.731SS**  trans-77.194-179.1-520000112P500P500-S502 PolarHBondContact O-N 3.37Å
503Q32.7Very low33.7Very low177 Ų177131.3 Ų131.383%0.82774%0.737SS**  trans-73.1168.3149.5-75.5-165.5-5.500109.9F501F501-Q503 PolarHBondContact O-N 3.13Å
504P35.1Very low33.8Very low106 Ų106132.5 Ų132.569%0.68874%0.739SS**  cis-136-164.714.328.4-2.7000115.3
505I34.4Very low33.9Very low145 Ų145133.1 Ų133.174%0.74474%0.739SS**  trans111.594.6152-56.8165.7000117.4
506S31.7Very low33.9Very low98 Ų98131.9 Ų131.969%0.68573%0.733SS**  trans75.3134.7142.369.90000123.3
507S33.8Very low34Very low112 Ų112129.6 Ų129.678%0.78373%0.729SS**  trans63.3139.715956.60000119.6
508S35.1Very low34.3Very low96 Ų96127.4 Ų127.467%0.67173%0.73SS**  cis-171.5138.3-1747.90000110.8
509N34Very low34.7Very low151 Ų151126.5 Ų126.581%0.80772%0.721SS**  trans62.9148.2161.5-66.216.7000117.4
510C31.9Very low35.1Very low89 Ų89129.4 Ų129.460%0.60172%0.722SS**  cis-164.1149.8-12.2-111.30000109.8
511N40.4Very low35Very low122 Ų122131.7 Ų131.765%0.65273%0.727SS**  trans65.2142.1143.4-66.147.3000119.6
512D39.4Very low35.6Very low109 Ų109126.6 Ų126.658%0.58372%0.715SS**  cis-157.5146.4-3.6-96.7-23.5000112.1
513Y35.3Very low35.5Very low187 Ų187129.5 Ų129.573%0.73371%0.712SS**  trans33.5148.3136.3-67.6-59.4000123.1
514L39.1Very low35.6Very low141 Ų141127.8 Ų127.874%0.73871%0.709SS**  cis-144.1158.80.4-84.3125.4000107.3
515E34.2Very low35.5Very low150 Ų150128.9 Ų128.970%0.70171%0.713SS**  cis77.1132.338.2-149.3172.1-166.700112.6
516S33.7Very low35.6Very low92 Ų92130.1 Ų130.164%0.64372%0.72SS**  cis-167.4178.3-12.9-1050000112.2
517D36.7Very low35.6Very low131 Ų131129.7 Ų129.770%0.70172%0.717SS**  trans59.6139.1156.6-69.9-54.9000120.4N519D517-N519 PolarHBondContact OD1-ND2 3.17Å; D517-N519 VanDerWaalsContact OD1-ND2 3.13Å
518A34.5Very low35.5Very low84 Ų84133.2 Ų133.269%0.69472%0.718SS**  cis96.7169.714.300000117.7
519N37.2Very low35.3Very low112 Ų112134 Ų13460%0.59972%0.719SS**  trans75.490.9163.1-53.1-50.2000120D517D517-N519 PolarHBondContact OD1-ND2 3.17Å; D517-N519 VanDerWaalsContact OD1-ND2 3.13Å
520Q39.5Very low35.1Very low177 Ų177132.8 Ų132.883%0.82771%0.712SS**  161.8121.2110.8-85.3153.1111.700110.5
521L32.6Very low35.2Very low160 Ų160138.4 Ų138.484%0.83873%0.727SS**  92.3146.557.1-75.5172.5000113.3
522P39.1Very low34.8Very low99 Ų99138 Ų13864%0.64373%0.734SS**  trans-132.9-166-148.438-17000113.6
523K34.4Very low34.7Very low181 Ų181138.3 Ų138.379%0.78774%0.744SS**  trans149.9164.3132.7-82.6168.1-175.9177.30114.2
524N35Very low34.5Very low142 Ų142133.4 Ų133.476%0.75974%0.743SS**  trans72.4117.2163.6-59.3-16.1000116.2
525V33.1Very low34.1Very low128 Ų128135.3 Ų135.378%0.77675%0.745SS**  75103.753.4177.30000112.1
526L36.3Very low34Very low171 Ų171136.6 Ų136.690%0.89575%0.749SS**  -167.7165.4129.1-104.8162.3000111.9
527S31.8Very low33.7Very low89 Ų89138 Ų13862%0.62275%0.749SS**  trans-111.3160.6-156.659.90000115.4
528K32.1Very low33.3Very low187 Ų187137.5 Ų137.581%0.81375%0.746SS**  trans77.4138139.9-87.1-179174.2-176.10121.5
529T31Very low33Very low111 Ų111138 Ų13868%0.68174%0.737SS**  trans69.2135.5147.536.40000121.1
530D29.3Very low32.7Very low126 Ų126141.6 Ų141.667%0.67474%0.744SS**  trans54.9129.2146.1-46.1-26.7000118.2
531F33.9Very low32.2Very low207 Ų207140.9 Ų140.991%0.90874%0.738SS**  -162.6162.569.4-103-86.3000112.8
532S33.6Very low32.1Very low115 Ų115138.8 Ų138.880%0.80473%0.732SS**  trans-106.3123.4176.354.20000113.6
533S35.5Very low31.6Very low114 Ų114139.4 Ų139.480%0.79773%0.73SS**  trans-148.8126158.650.90000108.1
534A31.3Very low31.7Very low85 Ų85139.9 Ų139.970%0.70274%0.735SS**  cis87.9100.832.200000114.5
535K31.7Very low31.3Very low181 Ų181139.1 Ų139.179%0.78774%0.735SS**  trans66131.8169.6-43.7171.8-176.7175.40113.5
536F31.6Very low31.5Very low176 Ų176139.1 Ų139.177%0.77274%0.735SS**  cis-160.6135.148.5-88.8-88.7000106.8
537N28Very low31Very low121 Ų121138.6 Ų138.665%0.64773%0.728SS**  79.6136.369.9-164.645.1000113.6
538N28.6Very low31.2Very low121 Ų121142 Ų14265%0.64774%0.738SS**  trans67.7153168.6-71.1-4.5000116.6
539N28.6Very low31Very low94 Ų94138.8 Ų138.850%0.50373%0.73SS.*  cis-163.4150.8-2.4-121.5-17.6000112.6
540Y29.5Very low30.8Very low188 Ų188142.8 Ų142.874%0.73774%0.737SS**  trans60164.6154.4-61.7-44.2000117.3
541K28.4Very low30.9Very low162 Ų162141.1 Ų141.170%0.70473%0.734SS**  cis-152.4173.6-16.1-110.8167.2-174.7-172.70104.5
542T31Very low30.8Very low116 Ų116137 Ų13771%0.71273%0.728SS**  cis-158.9140.633.8-40.80000110.5
543D28.7Very low30.4Very low113 Ų113138.3 Ų138.360%0.60472%0.721SS**  trans5.3133.7150.9-37.7-37.6000121.5
544H36.9Very low30.1Very low190 Ų190144.3 Ų144.388%0.8873%0.726SS**  trans161.483.6141.9-83.5-51.4000107.2
545V27.6Very low29.8Very low126 Ų126143.8 Ų143.876%0.76472%0.718SS**  54.382.155.7-168.60000112.9
546T36Very low29.8Very low129 Ų129141.4 Ų141.479%0.79172%0.718SS**  -158.3127.2128.1-61.70000108.1
547E27Very low29.5Very low159 Ų159140 Ų14074%0.74372%0.719SS**  trans-78.3131.4170.9-64.8172.483.400110.6N549E547-N549 PolarHBondContact OE1-ND2 2.86Å
548I35.7Very low29.4Very low162 Ų162137.5 Ų137.583%0.83171%0.71SS**  trans-128.593.8154.8-58.3-175.8000108
549N26.8Very low29.3Very low119 Ų119141.2 Ų141.264%0.63672%0.715SS**  trans-64.3134.9177.6-75.5-74.7000112.1E547E547-N549 PolarHBondContact OE1-ND2 2.86Å
550K27.6Very low29.1Very low194 Ų194145 Ų14584%0.84373%0.727SS**  trans173.8122.5135.6-97.8154.4-171.4177.60113.9
551P31.4Very low29Very low92 Ų92140.9 Ų140.960%0.59773%0.726SS**  trans-67.5162.9133.934-33.9000109H553P551-H553 HydrophobicContact CG-CB 4.07Å; P551-H553 PolarHBondContact O-N 2.83Å
552P30.6Very low29Very low121 Ų121138.5 Ų138.579%0.78672%0.72SS**SBendtrans-74.148172.633-36.3000112.5W554P552-W554 PolarHBondContact O-N 2.96Å; P552-W554 PolarHBondContact O-NE1 2.85Å
553H25.8Very low29.1Very low141 Ų141139.7 Ų139.765%0.65372%0.722SS**  trans-91.689.3172.9-162.1-55.8000108.8P551 S555P551-H553 HydrophobicContact CG-CB 4.07Å; P551-H553 PolarHBondContact O-N 2.83Å; H553-S555 PolarHBondContact CE1-OG 3.04Å; H553-S555 PolarHBondContact ND1-OG 3.1Å; H553-S555 PolarHBondContact O-N 3.39Å
554W29.3Very low29.1Very low240 Ų240139.4 Ų139.491%0.90972%0.721SS**  trans-77.467.4177.925.2-85.2000111.4P552P552-W554 PolarHBondContact O-N 2.96Å; P552-W554 PolarHBondContact O-NE1 2.85Å
555S25.7Very low28.9Very low75 Ų75140.6 Ų140.652%0.52472%0.719SS.*  trans-72.3137.1162.1-69.70000110.6H553H553-S555 PolarHBondContact CE1-OG 3.04Å; H553-S555 PolarHBondContact ND1-OG 3.1Å; H553-S555 PolarHBondContact O-N 3.39Å
556V30.6Very low28.9Very low130 Ų130139.1 Ų139.179%0.78871%0.714SS**  trans22.1115.8130.2-163.40000114.1
557D25.4Very low28.5Very low148 Ų148142.6 Ų142.679%0.79172%0.718SS**  -167.2-174.755.5-150.8-24.2000112.7
558S25.7Very low28.6Very low68 Ų68140 Ų14048%0.47672%0.723SS.*  trans85.9105.7151.7-88.90000120.9
559R26.3Very low28.3Very low199 Ų199137.7 Ų137.775%0.75172%0.722SS**  93.9111.5119-80.9178.6-81.9166.7-0.5120.9
560F25.3Very low28.3Very low172 Ų172139.9 Ų139.975%0.75473%0.728SS**  trans72.6140.2155.5-55.4-61.1000117.4I562F560-I562 HydrophobicContact CD1-CD1 3.76Å; F560-I562 HydrophobicContact CE1-CD1 4.16Å
561S28Very low28.3Very low102 Ų102138.3 Ų138.371%0.71373%0.729SS**  cis-131.9128.61.1-81.50000110.3
562I26.9Very low28.3Very low113 Ų113137.7 Ų137.758%0.57974%0.74SS**  60.793.287.2-54.7164.6000114F560F560-I562 HydrophobicContact CD1-CD1 3.76Å; F560-I562 HydrophobicContact CE1-CD1 4.16Å
563N34.9Very low28.1Very low141 Ų141141.8 Ų141.875%0.75475%0.745SS**  -175.2118.2122.6-92-34.4000108.3
564N27.3Very low28.4Very low106 Ų106142 Ų14257%0.56775%0.75SS**  96.5149.150.3-76.9-34.7000112.3
565Y33.7Very low28.4Very low216 Ų216137.9 Ų137.985%0.84775%0.747SS**  trans70.196.1-169.1-52-77000113
566S26.1Very low28.9Very low94 Ų94141.6 Ų141.666%0.65776%0.755SS**  cis7597.915.9-330000116.7
567K28.7Very low29Very low203 Ų203140.4 Ų140.488%0.88375%0.748SS**  148.5138.6126.2-83.2176.1178-179.10114.1
568A29Very low29.3Very low103 Ų103140.7 Ų140.785%0.85175%0.75SS**  trans62.3159.4161.500000117
569S29.3Very low29.5Very low115 Ų115146 Ų14680%0.80477%0.767SS**  cis-134.9162.7-0.4-174.50000111.4
570Q27.8Very low29.8Very low164 Ų164142.7 Ų142.777%0.76677%0.771SS**  trans-71.4162.6164.8-63.4167-76.900111.7
571N27.2Very low30.1Very low162 Ų162140 Ų14087%0.86677%0.773SS**  trans69118.8159.4-56.9-17.3000118.1
572G31.4Very low30.3Very low79 Ų79142.9 Ų142.981%0.81478%0.78SS**  trans175.687.4171.700000112.7
573F26.7Very low30.5Very low206 Ų206145 Ų14590%0.90478%0.784SS**  trans-75.5134.7167-92.9-105.8000110
574L31.6Very low30.2Very low145 Ų145145.2 Ų145.276%0.75978%0.784SS**  158.7134.3126.8-90.2146.1000111.5
575N28.1Very low30.3Very low155 Ų155147.9 Ų147.983%0.82979%0.787SS**  trans-120.4128.7175-115.2-17.1000108.3
576H36.1Very low30.1Very low152 Ų152143.3 Ų143.370%0.70478%0.782SS**  trans-138.895.1171.5-82.5-64.9000109.1
577T32.8Very low30.5Very low105 Ų105146.6 Ų146.664%0.64479%0.787SS**  76.5113.987.953.50000114.5
578N32.6Very low30.5Very low154 Ų154142.3 Ų142.382%0.82478%0.783SS**  -176.299.4116.7-89.5-22.6000113
579H30.8Very low30.5Very low179 Ų179144.5 Ų144.583%0.82978%0.775SS**  trans-144.8135.3158.9-87.4-74.9000108.8
580P32.1Very low30.6Very low130 Ų130144.8 Ų144.884%0.84477%0.772SS**  trans-83.2115.6176.231.3-31.9000111.3
581S31.3Very low30.8Very low115 Ų115145.2 Ų145.280%0.80477%0.774SS**PPolyproline II helixtrans-82.8130.4-177.2-56.80000113.3
582I31.1Very low30.8Very low164 Ų164143.4 Ų143.484%0.84177%0.774SS**PPolyproline II helixtrans-77128.7166.4-62.3174.7000108.4I584I582-I584 PolarHBondContact O-N 2.97Å
583K32.9Very low30.8Very low156 Ų156146 Ų14668%0.67877%0.774SS**PPolyproline II helixtrans-72.5123.4-177-68.7-171177.1-173.60112.1Y585K583-Y585 HydrophobicContact CB-CD2 4.29Å; K583-Y585 HydrophobicContact CB-CE2 4.02Å; K583-Y585 HydrophobicContact CD-CE2 3.78Å; K583-Y585 PolarHBondContact NZ-OH 2.99Å
584I27.6Very low30.8Very low147 Ų147141 Ų14175%0.75476%0.762SS**PPolyproline II helixtrans-92.5125159.4-60.4171.7000106.7I582 T586I582-I584 PolarHBondContact O-N 2.97Å; I584-T586 HydrophobicContact CG2-CG2 4.1Å
585Y29.8Very low30.7Very low161 Ų161140.6 Ų140.663%0.63177%0.766SS**  trans-95.7101.9174.4-87.2-83.3000110.3K583K583-Y585 HydrophobicContact CB-CD2 4.29Å; K583-Y585 HydrophobicContact CB-CE2 4.02Å; K583-Y585 HydrophobicContact CD-CE2 3.78Å; K583-Y585 PolarHBondContact NZ-OH 2.99Å
586T28.9Very low30.8Very low121 Ų121142.2 Ų142.274%0.74276%0.762SS**  trans-130.489.2168.448.90000108.4I584I584-T586 HydrophobicContact CG2-CG2 4.1Å
587E33.9Very low30.5Very low162 Ų162137.6 Ų137.676%0.75774%0.742SS**  trans-115.592.1179.1-72.5-179.6174.700110
588S29.1Very low30.3Very low114 Ų114136.5 Ų136.580%0.79773%0.73SS**  trans-90.2156.7153.1-63.70000108.6
589E29.7Very low30.2Very low148 Ų148139.4 Ų139.469%0.69273%0.731SS**  trans61.484.2170.3-56.2-166.411500117.7
590V31.6Very low30Very low122 Ų122134.7 Ų134.774%0.73972%0.718SS**  trans-130.298.1149.3-175.30000111.2
591Q30.9Very low30.1Very low172 Ų172137.8 Ų137.880%0.80472%0.719SS**  trans44.9124.4141.8-62.5173.7-6.400121
592S28.2Very low30Very low124 Ų124137.8 Ų137.887%0.86771%0.714SS**  trans-59.4132.5165.952.30000113.9
593V30.1Very low30.1Very low134 Ų134137.9 Ų137.981%0.81272%0.716SS**  trans-132.7141.7170.9177.20000107.2
594P28.7Very low30Very low101 Ų101138.3 Ų138.366%0.65672%0.72SS**  trans-86.9156.9-146.932.7-37.4000116.2Y596P594-Y596 HydrophobicContact CB-CD2 4.4Å; P594-Y596 HydrophobicContact CG-CD2 4.24Å; P594-Y596 HydrophobicContact CG-CE2 4.43Å
595T27.6Very low30.3Very low136 Ų136136.9 Ų136.983%0.83472%0.719SS**  trans-63.9126.4159.4440000111.2
596Y30.2Very low30.6Very low189 Ų189135.2 Ų135.274%0.74172%0.721SS**  trans-146.6126.7159.9-90.4-70.4000110.9P594P594-Y596 HydrophobicContact CB-CD2 4.4Å; P594-Y596 HydrophobicContact CG-CD2 4.24Å; P594-Y596 HydrophobicContact CG-CE2 4.43Å
597D30.3Very low30.6Very low55 Ų55138.6 Ų138.629%0.29473%0.725SS.*  trans49.295.2146.3-49.8-25.6000120P33P33-D597 WeakPolarHBondContact CA-OD2 3.39Å; P33-D597 HydrophobicContact CB-CB 4.41Å; P33-D597 WeakPolarHBondContact CB-OD2 3.49Å; P33-D597 VanDerWaalsContact CD-OD2 3.27Å; P33-D597 WeakPolarHBondContact CD-OD2 3.24Å; P33-D597 HydrophobicContact CG-CB 4.21Å; P33-D597 VanDerWaalsContact N-OD2 3.13Å
598E28.7Very low30.3Very low82 Ų82135.3 Ų135.338%0.38373%0.726SS.*  34.2115.6112.1-165.9-177.216500118.7L31 S600L31-E598 WeakPolarHBondContact CD2-OE2 3.43Å; L31-E598 WeakPolarHBondContact CG-OE2 3.46Å; E598-S600 PolarHBondContact OE1-OG 2.91Å
599Y31.1Very low30.3Very low215 Ų215137.8 Ų137.884%0.84373%0.725SS**  trans-121.187.2155.8-106.2-87.1000110.2F601Y599-F601 PolarHBondContact O-N 3.23Å
600S27.1Very low30.3Very low80 Ų80136.6 Ų136.656%0.55973%0.73SS**  trans-72.9111.2172.6-74.20000110.7E598E598-S600 PolarHBondContact OE1-OG 2.91Å
601F32.5Very low30.2Very low196 Ų196138.1 Ų138.186%0.8673%0.732SS**  trans-10686.7165.3-111.1-76.5000109.7Y599Y599-F601 PolarHBondContact O-N 3.23Å
602T29.8Very low30.1Very low115 Ų115141 Ų14171%0.70674%0.736SS**  trans-69.2145.1167.645.30000110.1
603N34.5Very low30.2Very low165 Ų165141.1 Ų141.188%0.88273%0.732SS**  trans-145.984.2156.8-147.7-1.3000108.1
604E30.3Very low30.1Very low166 Ų166139 Ų13978%0.77673%0.728SS**  trans-63.9146.2172.2-53.3-179113.300109.8
605T34Very low30.2Very low117 Ų117141.4 Ų141.472%0.71874%0.736SS**  -176.6140.6117.120.80000113.3
606N34.4Very low30.2Very low126 Ų126143.7 Ų143.767%0.67474%0.737SS**  trans55.8112.3149.3-57.1-35.2000119
607K29.5Very low30.2Very low191 Ų191140.4 Ų140.483%0.8374%0.736SS**  81.2137.257.4-74.3178.4179.1174.30114.1
608A27.3Very low30Very low94 Ų94142.8 Ų142.878%0.77776%0.755SS**  trans66.4143.9168.700000116.2
609E29.9Very low30.3Very low165 Ų165145.9 Ų145.977%0.77177%0.773SS**  cis-151156-7.4-123-177.2-155.600110.1I611E609-I611 PolarHBondContact O-N 3.43Å
610P29.4Very low30.2Very low123 Ų123143.3 Ų143.380%0.79977%0.772SS**  trans-94.494.4-175.734.9-28.3000112.3
611I29.8Very low30.4Very low154 Ų154143.1 Ų143.179%0.7978%0.783SS**  trans-87136.6175.2-64.1-179.2000111E609E609-I611 PolarHBondContact O-N 3.43Å
612R28.7Very low30.3Very low232 Ų232146 Ų14688%0.87579%0.788SS**  trans-93127.7-175.6-59.9171.6178.7166.2-2.2112.2
613T31.2Very low30.5Very low128 Ų128143.9 Ų143.979%0.78579%0.789SS**  trans-149.3118.5144.213.70000105.7
614A26.3Very low30.6Very low89 Ų89142.3 Ų142.374%0.73679%0.786SS**  cis6468.637.600000112.3
615D32.6Very low30.5Very low152 Ų152145.3 Ų145.381%0.81379%0.79SS**  trans-144.697.4152.7-104.3-36.9000108.5T617D615-T617 PolarHBondContact O-N 2.98Å
616E26.4Very low30.2Very low184 Ų184144.5 Ų144.586%0.8679%0.785SS**  trans-73.3122.7171.9-63.4-177.4117.700109.2P618E616-P618 WeakPolarHBondContact O-CD 3.33Å
617T30.5Very low30Very low119 Ų119147.8 Ų147.873%0.7380%0.796SS**  trans-113.274.4170.824.80000111.6D615 I619D615-T617 PolarHBondContact O-N 2.98Å; T617-I619 VanDerWaalsContact C-N 3.3Å; T617-I619 PolarHBondContact O-N 3.45Å
618P26.3Very low30Very low105 Ų105144.9 Ų144.968%0.68279%0.788SS**  trans-78.775.2176.834.4-36000110.6E616 L620E616-P618 WeakPolarHBondContact O-CD 3.33Å; P618-L620 VanDerWaalsContact C-N 3.26Å; P618-L620 PolarHBondContact O-N 2.93Å
619I34.1Very low29.8Very low148 Ų148149 Ų14976%0.75980%0.796SS**  trans-78.575.2-174.5-52.5-175.2000112T617T617-I619 VanDerWaalsContact C-N 3.3Å; T617-I619 PolarHBondContact O-N 3.45Å
620L28.8Very low29.7Very low160 Ų160146 Ų14684%0.83879%0.789SS**  trans32.7110.7134-77.1150.5000118.5P618P618-L620 VanDerWaalsContact C-N 3.26Å; P618-L620 PolarHBondContact O-N 2.93Å
621G31.4Very low29.6Very low76 Ų76148.2 Ų148.278%0.78479%0.789SS**  trans-85.3174164.600000114.7
622R30.8Very low29.5Very low258 Ų258147.7 Ų147.797%0.97479%0.788SS**  trans-132.8138.5160.7-64.6179.5174.3-163-1106.5
623G34.4Very low29.6Very low70 Ų70141.4 Ų141.472%0.72278%0.779SS**  cis-173.9173.7-7.100000106.3
624T37.5Very low29.5Very low132 Ų132140.1 Ų140.181%0.8178%0.781SS**  cis-142.7139.33.844.50000107.2
625R28.1Very low29.7Very low229 Ų229143.4 Ų143.486%0.86479%0.786SS**  44.7127.985.6-89.2-169.7172.8-178.3-3.1113.3
626T27.5Very low29.7Very low99 Ų99143.3 Ų143.361%0.60779%0.785SS**  cis-156.9146.211.5-24.10000110.6I628T626-I628 HydrophobicContact CG2-CG1 4.45Å
627H30.2Very low29.9Very low195 Ų195138.7 Ų138.790%0.90377%0.772SS**  trans-134.7141146.5-104.8-84.4000109
628I28.4Very low30Very low131 Ų131139.6 Ų139.667%0.67277%0.773SS**  trans-97.8119-169-61.4166.2000108T626 T630T626-I628 HydrophobicContact CG2-CG1 4.45Å; I628-T630 WeakPolarHBondContact CG2-OG1 3.49Å
629L24.6Very low30.3Very low181 Ų181144.5 Ų144.595%0.94878%0.783SS**  trans-9290.5157.9-89.1166.2000107
630T27.7Very low30.1Very low102 Ų102142.8 Ų142.863%0.62679%0.785SS**  trans-72.9141.9165.8-64.60000108.3I628I628-T630 WeakPolarHBondContact CG2-OG1 3.49Å
631E26.8Very low30.5Very low169 Ų169140.5 Ų140.579%0.7978%0.779SS**  trans-33.4135.6164.4-59.4134.9150.600113.1
632D27.8Very low30.6Very low143 Ų143144.6 Ų144.677%0.76578%0.783SS**  -155.1149.596.5-141-35.4000113.4
633S30.2Very low30.6Very low99 Ų99140.4 Ų140.469%0.69277%0.772SS**  trans42.598.9151.5-70.20000119.3L635S633-L635 PolarHBondContact O-N 3.42Å
634A29.7Very low30.2Very low101 Ų101148.2 Ų148.284%0.83578%0.781SS**  trans-61.9113.4152.800000110.9L636A634-L636 PolarHBondContact O-N 3.34Å
635L29.3Very low29.9Very low158 Ų158145.8 Ų145.883%0.82778%0.782SS**  trans-70.9108.1154.5-85172.5000109S633S633-L635 PolarHBondContact O-N 3.42Å
636L33Very low29.8Very low151 Ų151143.9 Ų143.979%0.79178%0.781SS**  trans5293154.4-65.6155.6000115.8A634A634-L636 PolarHBondContact O-N 3.34Å
637S31.6Very low29.9Very low86 Ų86149.5 Ų149.560%0.60179%0.791SS**  78.2100.686.7175.90000115.4
638N31.1Very low30.1Very low138 Ų138144.8 Ų144.874%0.73878%0.777SS**  49.997.2129.8-52-54.2000118.6
639K32.5Very low30Very low209 Ų209145.5 Ų145.591%0.90978%0.783SS**  -174.6161.593-98.6157.9-175.51750113.4
640S30.4Very low30.3Very low112 Ų112141.3 Ų141.378%0.78377%0.769SS**  trans-104.5-168.6-177.3610000110.7
641P37.7Very low30.4Very low112 Ų112143.3 Ų143.373%0.72778%0.775SS**  -115.7164.8-101.536.4-21.6000113
642N32.4Very low30.6Very low162 Ų162143.9 Ų143.987%0.86678%0.778SS**  trans-152.7156.9157.6-123.5-35.7000117.2
643K31Very low30.8Very low170 Ų170144.3 Ų144.374%0.73978%0.779SS**  trans-64.3155180-68.7167.3168.6171.40113.6
644Y27.2Very low30.7Very low234 Ų234144.1 Ų144.192%0.91878%0.777SS**  trans57.4116.1160.2-64.1-67.3000118.1
645G30.3Very low31Very low80 Ų80145.3 Ų145.383%0.82578%0.776SS**  trans174.1115.9166.900000111.2
646F26.1Very low31.1Very low190 Ų190143.1 Ų143.183%0.83377%0.77SS**  trans-96.4145.2169.9-120-124.1000108.7
647W28.8Very low31.2Very low217 Ų217143 Ų14382%0.82278%0.775SS**  trans69.1165.2161.4-82.340.5000117.9
648P34.5Very low31.1Very low95 Ų95143.6 Ų143.662%0.61778%0.779SS**  cis-133.2165.9-2130.8-11.7000115.6
649N28Very low31.4Very low147 Ų147146.4 Ų146.479%0.78679%0.788SS**  trans47.4145.7143.2-67.2-7.1000124.5
650S29.7Very low31.3Very low93 Ų93144.9 Ų144.965%0.6578%0.784SS**  trans85.7115.2144.2-1420000118.9
651N29.2Very low31.6Very low144 Ų144146.6 Ų146.677%0.7779%0.79SS**  -175162.589.9-88.1-43.4000113
652Q31.3Very low31.5Very low180 Ų180147.7 Ų147.784%0.84179%0.789SS**  trans82.7131.7177.8-53.9-175.23.500117
653I33.7Very low31.6Very low152 Ų152147.5 Ų147.578%0.77979%0.788SS**  cis-145.3153.5-10.8-100.8153.9000108.3
654S28.1Very low31.8Very low95 Ų95143.9 Ų143.966%0.66478%0.783SS**  trans-73171.8-174.3-330000114.7
655P35.3Very low32.1Very low126 Ų126137.9 Ų137.982%0.81877%0.771SS**  -115.2142.951.76.316.9000113.9
656T31.4Very low32.4Very low113 Ų113142.5 Ų142.569%0.69377%0.769SS**  81.284.659.7-51.40000114.8
657V34.5Very low32.8Very low148 Ų148140.4 Ų140.490%0.89776%0.761SS**  trans-142.7139.9134.3-1780000107.2
658S30.8Very low33Very low99 Ų99136.4 Ų136.469%0.69275%0.752SS**  trans-105.7144-170.5-50.60000113.2
659Q35.5Very low33Very low197 Ų197137.5 Ų137.592%0.92175%0.752SS**  -176.895.2121.2-98.4170.253.600114.5
660Q32Very low33.1Very low177 Ų177137 Ų13783%0.82775%0.75SS**  trans-26133.1150.1169.2-169.4-1.200118.4
661V36.6Very low33.1Very low148 Ų148139.4 Ų139.490%0.89775%0.754SS**  trans-140.5154.5131.3-173.90000107.7
662N34.2Very low33.2Very low134 Ų134137 Ų13772%0.71775%0.748SS**  trans-142.7-177.6-163.8-150.8-16.4000112.6
663L35.6Very low33.1Very low159 Ų159137.1 Ų137.183%0.83275%0.749SS**  trans107.1123.9173.2-58.8160.1000114.2
664S33.9Very low32.8Very low93 Ų93141.1 Ų141.165%0.6576%0.756SS**  cis85.5133.718.9-146.80000113.8
665T34.3Very low32.9Very low108 Ų108146.3 Ų146.366%0.66377%0.766SS**  cis-165.4169.313.1-15.40000113.3
666K35.9Very low32.7Very low177 Ų177144.8 Ų144.877%0.7776%0.759SS**  trans74.9158.4154.2-68.6164.9-176.8179.90117.8
667Q35.2Very low32.6Very low146 Ų146146.2 Ų146.268%0.68276%0.762SS**  cis-150.6143.71.1-137.1173.9-44.700114.4
668Q33.3Very low32.4Very low134 Ų134146.1 Ų146.163%0.62676%0.755SS**  trans41.4124.3141.6-78.1179.5-97.800125.2
669D33.8Very low32.3Very low117 Ų117149.4 Ų149.463%0.62676%0.757SS**  104.1118.5117.4-69.7-1.2000123.8
670N30.7Very low31.9Very low136 Ų136148.1 Ų148.173%0.72775%0.751SS**  109.7124.6126.9-85.7-28.5000122.4
671I30.7Very low31.7Very low145 Ų145148.9 Ų148.974%0.74475%0.754SS**  trans89.498.7145.8-64.7164.3000119.4
672S31.1Very low31.3Very low92 Ų92152.9 Ų152.964%0.64375%0.753SS**  trans57.3112.5141.4710000122.6
673Q28Very low31.3Very low184 Ų184155.8 Ų155.886%0.8676%0.76SS**  52.876121.1-58.6-1791.700118.1
674Y27.4Very low31.1Very low235 Ų235152.4 Ų152.492%0.92275%0.749SS**  -130.3157.9113.4-113.6-87.4000109.8S676Y674-S676 PolarHBondContact O-N 3Å
675K31.1Very low30.9Very low204 Ų204154.7 Ų154.789%0.88775%0.754SS**  trans-76.398.7-167.2-169.8178.1-179.4-1780111
676S29.5Very low31.1Very low94 Ų94159 Ų15966%0.65776%0.764SS**  trans-36.3141.1179.360.70000116Y674Y674-S676 PolarHBondContact O-N 3Å
677D30.3Very low30.9Very low144 Ų144157.2 Ų157.277%0.7776%0.76SS**  trans-48.9174146.8-55.2-87.5000112.1
678I29.6Very low30.7Very low145 Ų145157.1 Ų157.174%0.74476%0.763SS**  175.4120.5118.6-89156.1000111.3
679F29Very low30.6Very low169 Ų169157.6 Ų157.674%0.74177%0.765SS**  trans29.3124.8145.7-65.2-104000121.9
680H27.1Very low30.4Very low169 Ų169156.1 Ų156.178%0.78276%0.76SS**  16.4128.9129.6-56-76.2000120
681Q29.2Very low30.6Very low193 Ų193155.7 Ų155.790%0.90276%0.758SS**  -154.5161.8117.4-116174.954.300113.2
682R26.9Very low30.8Very low232 Ų232154.7 Ų154.788%0.87575%0.754SS**  trans-101.5152.3-174.2-44.6174-159.71494.7111.1
683K35Very low31Very low196 Ų196159.2 Ų159.285%0.85276%0.762SS**  trans-178.7102.6149.9-98.7151.3-174.3178.50107
684S30.9Very low31.3Very low87 Ų87157.9 Ų157.961%0.60876%0.761SS**  cis108.2145.930.276.90000112.5
685D30.4Very low31.6Very low141 Ų141153.6 Ų153.675%0.75475%0.754SS**  trans72.294.1156.7-42.5-44.4000120.2
686K37.5Very low31.7Very low199 Ų199151.4 Ų151.487%0.86575%0.752SS**  173.5142.9112.6-91.3168.8-172.4-176.50110.9
687M32.4Very low31.9Very low140 Ų140151.2 Ų151.269%0.6975%0.751SS**  cis-155.8152.2-30.3-163.8166.780.100106.8I481I481-M687 HydrophobicContact CG2-CE 4.39Å
688I30.1Very low32.1Very low144 Ų144156 Ų15674%0.73876%0.758SS**  trans-78.1137.5-175.1-61.6162.8000110.9
689Q31.4Very low32.1Very low143 Ų143156 Ų15667%0.66876%0.758SS**  trans-140.5111.6135.8-174.1168.1-12.400108.6D691Q689-D691 PolarHBondContact NE2-OD1 3.44Å
690T31.2Very low32.1Very low86 Ų86154.1 Ų154.153%0.52876%0.761SS.*  trans-98132.2165.9-37.70000106.8D692T690-D692 VanDerWaalsContact CG2-OD1 3.24Å; T690-D692 WeakPolarHBondContact CG2-OD1 3.25Å
691D34.6Very low32.2Very low127 Ų127157.3 Ų157.368%0.67977%0.766SS**  trans-10697.7157.5-72.4-23.3000106.1Q689Q689-D691 PolarHBondContact NE2-OD1 3.44Å
692D33.3Very low32.2Very low125 Ų125153.5 Ų153.567%0.66876%0.76SS**  trans-76.5137.2175.2-67.8-57.2000110.1T690T690-D692 VanDerWaalsContact CG2-OD1 3.24Å; T690-D692 WeakPolarHBondContact CG2-OD1 3.25Å
693F35.3Very low32.4Very low187 Ų187149.2 Ų149.282%0.8275%0.754SS**  trans-132.648170-89.1-75.9000110.8D695F693-D695 PolarHBondContact O-N 3.41Å
694D35.8Very low32.3Very low155 Ų155146.4 Ų146.483%0.82975%0.748SS**  trans-86.884.5162.3-84.8-28.1000108.8D696D694-D696 VanDerWaalsContact C-N 3.25Å; D694-D696 PolarHBondContact O-N 3.46Å
695D34.1Very low32.3Very low146 Ų146147.6 Ų147.678%0.78176%0.757SS**  trans-87.160.5-176.8-145.7-3.3000112F693 S697F693-D695 PolarHBondContact O-N 3.41Å; D695-S697 PolarHBondContact O-N 2.94Å
696D32.3Very low32.8Very low158 Ų158146.8 Ų146.885%0.84576%0.759SS**  trans-89.370.4-172.2-151.518.3000111.3D694D694-D696 VanDerWaalsContact C-N 3.25Å; D694-D696 PolarHBondContact O-N 3.46Å
697S32.7Very low32.4Very low89 Ų89143.4 Ų143.462%0.62275%0.75SS**  trans-167.381.9169.751.90000119.3D695D695-S697 PolarHBondContact O-N 2.94Å
698W34.7Very low32.3Very low244 Ų244142.2 Ų142.292%0.92475%0.747SS**  trans-173.3112.4132.455-48.9000111.9
699I30.8Very low32.6Very low146 Ų146144.6 Ų144.675%0.74976%0.755SS**  79.292.172.4-64.2162000113
700T28Very low32.6Very low129 Ų129144.3 Ų144.379%0.79176%0.758SS**  trans14.6123148.256.60000119.7
701R29.3Very low32.8Very low237 Ų237147.4 Ų147.489%0.89477%0.771SS**  trans-147.4121.7136.8-111.2176.2-167.7167.85111.6
702S28.9Very low32.8Very low112 Ų112150.2 Ų150.278%0.78378%0.78SS**  trans-67.7151.7152.6-490000109.1
703L32.7Very low32.9Very low142 Ų142151 Ų15174%0.74378%0.783SS**  trans-163.490.7153.4-108.9161.5000109.6
704D32Very low32.6Very low137 Ų137147.1 Ų147.173%0.73378%0.779SS**  trans46.5130.2138.6-49.4-17.7000121.9
705S31.3Very low32.3Very low112 Ų112145 Ų14578%0.78378%0.775SS**  trans-67.2154163.4-48.50000112.3
706P39.7Very low32.1Very low124 Ų124146.5 Ų146.581%0.80578%0.777SS**  -110.5125.9124.431.7-30.7000109.4
707N29.9Very low32Very low128 Ų128144.6 Ų144.668%0.68478%0.776SS**  91.8121.351.7-172.754.9000111.9
708N30.2Very low32Very low115 Ų115149 Ų14962%0.61579%0.787SS**  trans54.6111170.3-60.8-12000118.9
709Q37Very low31.7Very low194 Ų194145 Ų14591%0.90778%0.782SS**  -156.8133.888.4-102.4171.340.600111.4
710D30.3Very low31.7Very low137 Ų137143.3 Ų143.373%0.73378%0.78SS**  trans-73.2144.4176.1-47.3-86.1000111.2
711L36.6Very low31.7Very low152 Ų152141.5 Ų141.580%0.79677%0.773SS**  trans-149.579.2151.7-14579.2000110I713L711-I713 HydrophobicContact CD2-CD1 3.98Å; L711-I713 HydrophobicContact CD2-CG1 4.39Å; L711-I713 HydrophobicContact CG-CG1 4.4Å; L711-I713 PolarHBondContact O-N 3.23Å
712E33.1Very low31.8Very low185 Ų185136.4 Ų136.486%0.86477%0.771SS**  trans-61.5117.8163.3-68.3-169.6124.700109.2
713I35.1Very low32.1Very low143 Ų143136.5 Ų136.573%0.73377%0.766SS**  trans-125.284.6160-55.5-177.6000107.3L711L711-I713 HydrophobicContact CD2-CD1 3.98Å; L711-I713 HydrophobicContact CD2-CG1 4.39Å; L711-I713 HydrophobicContact CG-CG1 4.4Å; L711-I713 PolarHBondContact O-N 3.23Å
714S30.5Very low32.1Very low105 Ų105137 Ų13773%0.73477%0.769SS**  trans-74.6134.7154.5-70.50000108.6
715C27.8Very low32.1Very low111 Ų111140 Ų14075%0.7578%0.776SS**  -177.6153.1124.2-101.10000113.2
716E31.9Very low32.1Very low176 Ų176140.4 Ų140.482%0.82278%0.776SS**  trans5486.2148-63.9178.913200119.4E718E716-E718 PolarHBondContact O-N 2.97Å
717S28.9Very low31.6Very low118 Ų118142.3 Ų142.383%0.82578%0.779SS**  2.7104.6122.6169.90000117.3
718E32.4Very low31.5Very low182 Ų182143.7 Ų143.785%0.8579%0.786SS**  trans-135.4146.8145.8-162.4169.2-139.100109.5E716 P720E716-E718 PolarHBondContact O-N 2.97Å; E718-P720 WeakPolarHBondContact O-CD 3.48Å
719I29.6Very low31.4Very low160 Ų160145.4 Ų145.482%0.82179%0.79SS**  trans-114.5103.9-173.9-57.5174000110.7
720P31.1Very low31Very low110 Ų110141.9 Ų141.971%0.71478%0.782SS**  trans-115.897.2169.935.9-25.9000113.3E718E718-P720 WeakPolarHBondContact O-CD 3.48Å
721S27.6Very low31.1Very low92 Ų92145.1 Ų145.164%0.64378%0.784SS**  trans57.6131.8150.4-1600000121.3V723S721-V723 PolarHBondContact O-N 3.47Å
722P31.6Very low30.8Very low130 Ų130144.2 Ų144.284%0.84479%0.785SS**  trans-76.579.8172.933.5-35.4000112.4N724P722-N724 PolarHBondContact O-N 3.26Å
723V35.5Very low30.7Very low114 Ų114142.4 Ų142.469%0.69178%0.781SS**  trans-64.9123.4179.9178.60000112.2S721S721-V723 PolarHBondContact O-N 3.47Å
724N32.3Very low30.5Very low151 Ų151139.4 Ų139.481%0.80777%0.773SS**  trans45.873.4163.2-67.9-28.3000117.7P722P722-N724 PolarHBondContact O-N 3.26Å
725K32.3Very low30.5Very low200 Ų200141.5 Ų141.587%0.8778%0.775SS**  trans-68.5130.5143-80.5-178.2176.8175.20108.7N727K725-N727 PolarHBondContact O-N 3.1Å; K725-N727 VanDerWaalsContact O-N 3.13Å
726P30.6Very low30.8Very low122 Ų122144.4 Ų144.479%0.79278%0.777SS**  trans-66.5115.3173.827.2-32.9000109.1L728P726-L728 PolarHBondContact O-N 2.96Å; P726-L728 VanDerWaalsContact O-N 3.17Å
727N29Very low30.6Very low163 Ų163140.8 Ų140.887%0.87277%0.772SS**  trans-68.4113.1175.4-130.5-16.2000108K725 Q729K725-N727 PolarHBondContact O-N 3.1Å; K725-N727 VanDerWaalsContact O-N 3.13Å; N727-Q729 PolarHBondContact O-N 2.68Å
728L29Very low30.6Very low158 Ų158142.4 Ų142.483%0.82777%0.769SS**  trans-69.787.4173.8-83.5170.5000108.6P726 T730P726-L728 PolarHBondContact O-N 2.96Å; P726-L728 VanDerWaalsContact O-N 3.17Å; L728-T730 VanDerWaalsContact C-N 3.3Å; L728-T730 PolarHBondContact O-N 2.92Å
729Q28.1Very low30.5Very low150 Ų150139.5 Ų139.570%0.70176%0.764SS**  trans-68.988.3179.5-166.9172.831.300109.2N727 W731N727-Q729 PolarHBondContact O-N 2.68Å; Q729-W731 PolarHBondContact O-N 3.3Å
730T28.5Very low30.5Very low120 Ų120142.3 Ų142.374%0.73676%0.764SS**  trans-70.197.3176.237.60000109.6L728 T732L728-T730 VanDerWaalsContact C-N 3.3Å; L728-T730 PolarHBondContact O-N 2.92Å; T730-T732 PolarHBondContact O-N 3.06Å
731W30.7Very low30.4Very low205 Ų205142.8 Ų142.878%0.77777%0.767SS**  trans-63.9101.2174.8-72.877.5000110.1Q729 L733Q729-W731 PolarHBondContact O-N 3.3Å; W731-L733 PolarHBondContact O-N 3.38Å
732T31.2Very low30.7Very low133 Ų133144.2 Ų144.282%0.81677%0.772SS**  trans-70.194171.241.40000109.3T730 S734T730-T732 PolarHBondContact O-N 3.06Å; T732-S734 VanDerWaalsContact C-N 3.26Å; T732-S734 PolarHBondContact O-N 2.91Å
733L31Very low30.7Very low148 Ų148147.7 Ų147.778%0.77578%0.777SS**  trans-67.781.7176.4-66.4179.7000110.8W731 L735W731-L733 PolarHBondContact O-N 3.38Å; L733-L735 PolarHBondContact O-N 3.24Å
734S30.9Very low30.4Very low80 Ų80146.2 Ų146.256%0.55977%0.772SS**  trans-68.3100.9172.2-171.80000109.8T732 Q736T732-S734 VanDerWaalsContact C-N 3.26Å; T732-S734 PolarHBondContact O-N 2.91Å; S734-Q736 PolarHBondContact O-N 3.06Å; S734-Q736 VanDerWaalsContact OG-CD 3.24Å; S734-Q736 WeakPolarHBondContact OG-CG 3.37Å; S734-Q736 PolarHBondContact OG-OE1 2.94Å
735L31Very low30.3Very low148 Ų148147 Ų14778%0.77577%0.771SS**  trans-7560.4178.1-67.8175.1000111.6L733L733-L735 PolarHBondContact O-N 3.24Å
736Q32.7Very low30.1Very low173 Ų173143.1 Ų143.181%0.80877%0.769SS**  trans-118.727.7-175.4-68.7178-1100112.8S734S734-Q736 PolarHBondContact O-N 3.06Å; S734-Q736 VanDerWaalsContact OG-CD 3.24Å; S734-Q736 WeakPolarHBondContact OG-CG 3.37Å; S734-Q736 PolarHBondContact OG-OE1 2.94Å
737S28.3Very low30.1Very low100 Ų100143.5 Ų143.570%0.69976%0.763SS**  trans-157.767.4165.4-178.70000112.9
738I29.9Very low30.2Very low152 Ų152141.6 Ų141.678%0.77975%0.752SS**  trans-10588.5153.8-59.2-177.6000107.2
739V29.6Very low30Very low120 Ų120139.9 Ų139.973%0.72775%0.75SS**  trans-61.1144.1167.2176.60000108.2
740R29.4Very low30.2Very low220 Ų220140.5 Ų140.583%0.8375%0.75SS**  trans-47.7135.5179.2-84.5172.4-88.6156.2-6.7111.3T742R740-T742 PolarHBondContact O-N 3.25Å; R740-T742 VanDerWaalsContact O-N 3.08Å
741P28.4Very low30.3Very low120 Ų120139.1 Ų139.178%0.77975%0.751SS**  trans-63.9111.6162.928-31.9000108.2
742T34.6Very low30.2Very low121 Ų121135.3 Ų135.374%0.74275%0.746SS**  trans-66.2136.9168.8-8.70000109R740 S744R740-T742 PolarHBondContact O-N 3.25Å; R740-T742 VanDerWaalsContact O-N 3.08Å; T742-S744 PolarHBondContact O-N 3.41Å
743E31.2Very low30.2Very low203 Ų203138.1 Ų138.195%0.94975%0.75SS**SBendtrans-7464179.9-63.8-178.7159.400112
744S29.6Very low30.1Very low84 Ų84137.6 Ų137.659%0.58775%0.746SS**  trans-163.680.1178.860.10000112.2T742T742-S744 PolarHBondContact O-N 3.41Å
745E30.9Very low30.1Very low167 Ų167138.4 Ų138.478%0.7875%0.752SS**  -176.799128.5-104.9170.1-164.900112.9I747E745-I747 VanDerWaalsContact C-N 3.26Å; E745-I747 HydrophobicContact CB-CD1 4.49Å; E745-I747 HydrophobicContact CB-CG1 4.15Å; E745-I747 HydrophobicContact CG-CD1 4.2Å; E745-I747 HydrophobicContact CG-CG1 4.04Å; E745-I747 PolarHBondContact O-N 3.07Å; E745-I747 VanDerWaalsContact O-N 3.15Å; E745-I747 WeakPolarHBondContact OE2-CD1 3.37Å
746S26.7Very low29.9Very low119 Ų119137 Ų13783%0.83275%0.754SS**  trans-80.672.5160.757.70000109.9L748S746-L748 PolarHBondContact O-N 2.8Å
747I31.6Very low29.7Very low129 Ų129136.1 Ų136.166%0.66275%0.751SS**  trans-77.371.6168.3-58.4-178.7000109.1E745E745-I747 VanDerWaalsContact C-N 3.26Å; E745-I747 HydrophobicContact CB-CD1 4.49Å; E745-I747 HydrophobicContact CB-CG1 4.15Å; E745-I747 HydrophobicContact CG-CD1 4.2Å; E745-I747 HydrophobicContact CG-CG1 4.04Å; E745-I747 PolarHBondContact O-N 3.07Å; E745-I747 VanDerWaalsContact O-N 3.15Å; E745-I747 WeakPolarHBondContact OE2-CD1 3.37Å
748L30.3Very low29.8Very low124 Ų124138.5 Ų138.565%0.64975%0.751SS**  trans-57.6141.8143.9-161.8153.5000106.5S746 K750S746-L748 PolarHBondContact O-N 2.8Å; L748-K750 VanDerWaalsContact C-N 3.34Å; L748-K750 PolarHBondContact O-N 3.42Å
749P24.4Very low29.9Very low121 Ų121139.3 Ų139.379%0.78675%0.751SS**SBendtrans-63.891.2-174.825-35.3000112
750K32.3Very low29.8Very low163 Ų163139.5 Ų139.571%0.70975%0.753SS**  trans-13571.5171-83-161.4168.5-166.90110.5L748L748-K750 VanDerWaalsContact C-N 3.34Å; L748-K750 PolarHBondContact O-N 3.42Å
751A30.8Very low30Very low91 Ų91136 Ų13675%0.75275%0.751SS**  trans-54.7150.1132.700000108.4
752N28.7Very low30Very low125 Ų125135.7 Ų135.767%0.66875%0.746SS**  trans70.259.5-174.3-52.9-1.9000115.2I754N752-I754 HydrophobicContact CB-CD1 4.1Å; N752-I754 HydrophobicContact CB-CG1 3.94Å; N752-I754 PolarHBondContact O-N 3.09Å
753E31.8Very low29.9Very low193 Ų193137.1 Ų137.190%0.90274%0.744SS**  -72.182.9121.5-79.7-155.5140.400108.2S755E753-S755 PolarHBondContact O-N 2.92Å
754I30Very low29.8Very low136 Ų136133 Ų13370%0.69773%0.727SS**  trans-76.7104.3161.2-70.5172.1000105.7N752N752-I754 HydrophobicContact CB-CD1 4.1Å; N752-I754 HydrophobicContact CB-CG1 3.94Å; N752-I754 PolarHBondContact O-N 3.09Å
755S29.3Very low30.1Very low98 Ų98137.3 Ų137.369%0.68574%0.738SS**  trans-67.7-178.2164.5-1680000110.2E753E753-S755 PolarHBondContact O-N 2.92Å
756C27.9Very low30.3Very low119 Ų119137.4 Ų137.480%0.80474%0.736SS**  trans71.599.4177.8-470000114.8
757M27.8Very low30.7Very low153 Ų153138.6 Ų138.675%0.75474%0.739SS**  trans-44.4167.4147.1-92.1167.743.400114.8
758E29.6Very low30.8Very low150 Ų150142 Ų14270%0.70175%0.748SS**  trans85.9152.5153-77.2163.7139.600120.1
759H32.2Very low31.2Very low169 Ų169141.3 Ų141.378%0.78275%0.752SS**  trans6397.7-178.1-51.3-67.3000115.5
760V28.7Very low31.6Very low124 Ų124140.9 Ų140.975%0.75275%0.751SS**  cis66.6111.945-169.10000113.4
761N32.3Very low31.7Very low148 Ų148141.8 Ų141.879%0.79176%0.758SS**  trans129.8148.6163.6-74.4-29.5000113.2
762V30.4Very low31.8Very low112 Ų112142.5 Ų142.568%0.67976%0.758SS**  cis-165.7158.4-31.595.20000109.9
763H31Very low32.2Very low152 Ų152145.2 Ų145.270%0.70476%0.763SS**  trans70.6136.9169.2-81.937.4000117.4
764I30.2Very low32.3Very low117 Ų117143.3 Ų143.360%0.676%0.758SS**  77.9124.653.9-67.8171.7000109.7
765E35.9Very low32.4Very low173 Ų173145.6 Ų145.681%0.80877%0.766SS**  cis-129.6148.946.1-71.5-170.3125.900114
766K33.8Very low32.6Very low169 Ų169146.5 Ų146.574%0.73577%0.772SS**  73.692.155.5-75.4-175.9-178.9169.60116.9
767T35.2Very low32.9Very low145 Ų145147.3 Ų147.389%0.8977%0.768SS**  -179.9135.7127.330.80000107.8
768K34.5Very low33.3Very low200 Ų200148.2 Ų148.287%0.8778%0.775SS**  cis132.3151.74-102.1-130.6166.7-174.20108.7
769P38.3Very low33.5Very low110 Ų110146.6 Ų146.671%0.71477%0.771SS**  trans-137.5178.3-138.744.1-28000117.2
770S33.8Very low33.5Very low112 Ų112148 Ų14878%0.78377%0.771SS**  trans-165.6122.2154.452.90000107.7
771E33.2Very low33.8Very low182 Ų182148.3 Ų148.385%0.8576%0.764SS**  cis83.6140.533.8-148.4-178.5-115.300114.8
772S34Very low33.9Very low106 Ų106151.4 Ų151.474%0.74177%0.771SS**  trans77.3148.3-176.990.30000115.8
773K36Very low34.1Very low181 Ų181151.8 Ų151.879%0.78777%0.765SS**  cis-164.2166-3.4-131.7170.1-170.3172.10111.7
774I34.8Very low34.1Very low153 Ų153153.1 Ų153.179%0.78578%0.776SS**  trans70114.7167.2-52.5142000114.1
775Q31Very low34.2Very low185 Ų185156.7 Ų156.786%0.86478%0.783SS**  cis89.591.512.8-159-173.4200117.7
776S35.1Very low33.8Very low117 Ų117159.4 Ų159.482%0.81879%0.785SS**  trans-171153.214956.90000110.8
777N32.8Very low33.6Very low135 Ų135161.1 Ų161.172%0.72279%0.787SS**  cis-163.8111.4-33.7-173.821.1000108.3
778L36.9Very low33.4Very low173 Ų173161.2 Ų161.291%0.90678%0.777SS**  trans-160.8105.1165.7-151.170.6000111.9
779D34.4Very low33Very low115 Ų115157.2 Ų157.262%0.61577%0.774SS**  trans-66.3159.4167.9-63.4-69.2000110.6
780Y31Very low32.7Very low198 Ų198159.3 Ų159.378%0.77678%0.779SS**  -159.3164.550.4-104.2-82.5000115.1
781H34.4Very low32.3Very low131 Ų131164.9 Ų164.961%0.60678%0.783SS**  trans53.477.8160.3-73.7-73.4000118.8E783H781-E783 IonicContact CE1-OE1 3.61Å; H781-E783 PolarHBondContact CE1-OE1 3.34Å; H781-E783 WeakPolarHBondContact ND1-CG 3.46Å; H781-E783 IonicContact ND1-OE1 3.87Å; H781-E783 PolarHBondContact ND1-OE1 2.85Å; H781-E783 IonicContact ND1-OE2 3.71Å
782K35Very low32.4Very low214 Ų214164 Ų16493%0.9378%0.782SS**  trans-99.694.9141.4-98.7-174176.8176.50109.8L784K782-L784 PolarHBondContact O-N 3.13Å
783E35.2Very low32.2Very low119 Ų119164.7 Ų164.756%0.55678%0.777SS**  trans-93.898.1-176.2-84.4-162.1147.700114.1H781 W785H781-E783 IonicContact CE1-OE1 3.61Å; H781-E783 PolarHBondContact CE1-OE1 3.34Å; H781-E783 WeakPolarHBondContact ND1-CG 3.46Å; H781-E783 IonicContact ND1-OE1 3.87Å; H781-E783 PolarHBondContact ND1-OE1 2.85Å; H781-E783 IonicContact ND1-OE2 3.71Å; E783-W785 VanDerWaalsContact CD-CD1 3.46Å; E783-W785 PolarHBondContact O-N 2.94Å; E783-W785 PolarHBondContact OE1-NE1 3.09Å
784L31.6Very low31.9Very low181 Ų181162.7 Ų162.795%0.94878%0.783SS**  trans-83.855.4165.9-93.6166.8000111.5K782 R786K782-L784 PolarHBondContact O-N 3.13Å; L784-R786 PolarHBondContact O-N 2.75Å; L784-R786 VanDerWaalsContact O-N 3.13Å
785W30.8Very low31.6Very low192 Ų192158.9 Ų158.973%0.72777%0.77SS**  trans-79.398.4180-82.569000112.4E783E783-W785 VanDerWaalsContact CD-CD1 3.46Å; E783-W785 PolarHBondContact O-N 2.94Å; E783-W785 PolarHBondContact OE1-NE1 3.09Å
786R28.4Very low31.5Very low229 Ų229158.5 Ų158.586%0.86477%0.768SS**  trans-77.2121.3145.3-64.7-175.3-175.7-163.62.8108.3L784L784-R786 PolarHBondContact O-N 2.75Å; L784-R786 VanDerWaalsContact O-N 3.13Å
787R29.2Very low31.4Very low206 Ų206157.7 Ų157.778%0.77776%0.762SS**  trans155.8156.9138.7-87.9163.7169.6-180-3.7111.9
788H31.4Very low31.5Very low147 Ų147157.8 Ų157.868%0.68176%0.763SS**  trans66.7121.6172.4-46.2-64.1000113.7
789S25.5Very low31.4Very low115 Ų115155.2 Ų155.280%0.80475%0.75SS**  cis72.945.226.3-38.10000115.3
790L32Very low31.4Very low155 Ų155160.4 Ų160.481%0.81276%0.762SS**  trans-121.2117.2147.9-66.9168.6000105.2
791R26.5Very low31.5Very low229 Ų229159.7 Ų159.786%0.86477%0.766SS**  49.469.759.7-80.6-169.5174.4159.2-1.4112.7
792I34.5Very low31.5Very low163 Ų163157.6 Ų157.684%0.83677%0.772SS**  trans-120.8132.3144.7-61.2174.5000104.9
793N30.8Very low31.6Very low120 Ų120153.3 Ų153.364%0.64276%0.764SS**  trans-85.7144.7-163.3-57.1-36000112.4S795N793-S795 PolarHBondContact O-N 3.48Å
794P27.8Very low31.6Very low140 Ų140154 Ų15491%0.90977%0.767SS**  trans-76.695.7153.932.3-28.3000108.1
795S29Very low31.8Very low72 Ų72155.5 Ų155.550%0.50376%0.76SS.*  trans-125.1130.1-179.2-96.80000109.9N793N793-S795 PolarHBondContact O-N 3.48Å
796E30.3Very low32Very low178 Ų178152.7 Ų152.783%0.83276%0.759SS**  trans37.9119.1159.6-56114.9-10700118.1
797S31.6Very low32.3Very low100 Ų100149.7 Ų149.770%0.69976%0.759SS**  cis-139172.617.361.90000110.2
798D35.6Very low32.6Very low137 Ų137145.3 Ų145.373%0.73375%0.751SS**  cis-145.3175.527.8-99.7-69000113.7
799N35.1Very low32.8Very low118 Ų118145 Ų14563%0.63175%0.751SS**  trans-48.5148.1173.2-63.5-80.3000112.7
800Y33.4Very low33.3Very low224 Ų224147.5 Ų147.588%0.87875%0.747SS**  cis-145.1164.446.7-91.5-94.1000115.5
801Q33.3Very low33.3Very low183 Ų183147 Ų14786%0.85575%0.745SS**  trans-73.3148.1177.2-55.6174.4-2.900113
802A34.8Very low33.8Very low88 Ų88143.4 Ų143.473%0.72774%0.743SS**  167.4124.6110.300000114.3
803T36.4Very low33.7Very low124 Ų124146.2 Ų146.276%0.76174%0.743SS**  43.4129.7121.1-51.60000120.3
804Q36Very low34.1Very low134 Ų134145.1 Ų145.163%0.62674%0.743SS**  cis-172.4169.1-7.7-114.9-178.430.600108.3
805R36.4Very low34.2Very low212 Ų212145.6 Ų145.680%0.874%0.738SS**  trans68.7113.7167.1-58.2142.8-155.4-1785.7114.7
806N33.2Very low34.5Very low132 Ų132151.9 Ų151.971%0.70676%0.759SS**  cis72.296.230-164.47.3000115.1
807L34.7Very low34.4Very low166 Ų166154.7 Ų154.787%0.86976%0.762SS**  -156.3136.2127.1-136.870.1000114
808N36.2Very low34.5Very low114 Ų114158.6 Ų158.661%0.6177%0.774SS**  trans-63.5165.1162-70.4-58.8000111.3
809Q36.8Very low34.4Very low142 Ų142156.9 Ų156.966%0.66477%0.773SS**  cis-153.4-148.9-5.6-114.9158.335.600107.1
810F34.2Very low34.2Very low167 Ų167158.8 Ų158.873%0.73278%0.782SS**  cis-157.2177.18.3-133.3-71000108.2
811N32.9Very low34.1Very low143 Ų143154.1 Ų154.177%0.76578%0.779SS**  trans-126.1147.8164.8-80.3-69.9000110.2
812D37Very low33.8Very low155 Ų155156.5 Ų156.583%0.82978%0.78SS**  -170.7162128.2-113.6-40.1000117.5
813R32.5Very low33.7Very low221 Ų221162 Ų16283%0.83479%0.788SS**  trans-75.3-172.2-174.3-79.1169.1122.9-172.20.5115.9
814P39.2Very low33.6Very low97 Ų97161.7 Ų161.763%0.6379%0.788SS**  cis-141.8-171-46.641.3-24000114.4
815N29.8Very low33.3Very low151 Ų151166.9 Ų166.981%0.80780%0.802SS**  trans56.9113149.2-67.6-10.1000121.7
816Q34.3Very low32.9Very low203 Ų203164 Ų16495%0.94980%0.802SS**  -154.2163.1127-116.3174.863.600112.1
817R29.7Very low32.8Very low238 Ų238163 Ų16390%0.89880%0.802SS**  trans-99125-167.2-66.9157.466.7179.33112
818L33.8Very low32.6Very low181 Ų181159.4 Ų159.495%0.94879%0.79SS**  trans-138.2150.8149.9-77-179.5000109.1
819S31.9Very low32.3Very low102 Ų102164.4 Ų164.471%0.71380%0.8SS**  trans-132.2131.8-154.4540000115
820L31Very low31.9Very low158 Ų158166.6 Ų166.683%0.82781%0.808SS**  trans67166.6158.1-70.6168.3000115.5
821P31.2Very low31.8Very low126 Ų126163.9 Ų163.982%0.81881%0.81SS**  cis-108166.63.239.5-30.3000115.8
822R27.1Very low31.7Very low232 Ų232165 Ų16588%0.87581%0.814SS**  trans-114.4162.6169.9-87.7-177.6171.2154.3-3.6110.4
823K33.3Very low31.2Very low203 Ų203160.7 Ų160.788%0.88381%0.806SS**  trans86.4154.9175.3-64.3-175.7175.4-179.20115.2
824P33.6Very low31.1Very low119 Ų119156.2 Ų156.277%0.77381%0.808SS**  cis-136.8159.7-35.735.5-20.6000113.4
825R30.1Very low30.6Very low243 Ų243157.7 Ų157.792%0.91782%0.821SS**  trans-148.3133.3150.1-144.8163.3-174.2151.41.1113
826N27.8Very low30.5Very low150 Ų150155.3 Ų155.380%0.80282%0.816SS**  trans-89126.1175.3172.56.8000108.8
827T32.3Very low30.3Very low113 Ų113154.7 Ų154.769%0.69381%0.813SS**  trans-143.9122.9164.652.40000111.2
828S29Very low30.6Very low89 Ų89151.3 Ų151.362%0.62281%0.812SS**  trans-43.5138.9160.1172.80000112.6
829R30.8Very low30.9Very low220 Ų220149 Ų14983%0.8380%0.801SS**  trans-136.8104.3148.4-73.2-165.7179.2-172.6-0.2109.5S831R829-S831 PolarHBondContact O-N 2.96Å
830F28.2Very low31.6Very low188 Ų188147.8 Ų147.883%0.82579%0.789SS**  trans-61.9110.1150.9-76.4-97.1000107.4
831S32.2Very low32.2Very low110 Ų110143.9 Ų143.977%0.76977%0.773SS**  trans-99.484.3172.2-75.70000109.1R829R829-S831 PolarHBondContact O-N 2.96Å
832I30.6Very low33Very low167 Ų167145.5 Ų145.586%0.85677%0.767SS**  trans-65.9132.2169.6-65.1167.5000108.3
833G26.9Very low34.3Very low63 Ų63137.2 Ų137.265%0.64975%0.745SS**  trans97.295.7166.700000115.8
834S30.2Very low35.3Very low127 Ų127137.5 Ų137.589%0.88874%0.741SS**  -163.6145.1122.1-81.80000110.2
835S28.6Very low36.6Very low128 Ų128133.6 Ų133.690%0.89572%0.716SS**  trans-89.7107.3-172.5158.20000112.5
836S27.6Very low38.2Very low101 Ų101124 Ų12471%0.70668%0.684SS**  trans-169.8139.3151.452.80000111.6
837E30.6Very low39.9Very low190 Ų190122.2 Ų122.289%0.88867%0.671SS**  trans51.286.5160.2-60.4-174.1146.300117.2D839E837-D839 VanDerWaalsContact C-N 3.35Å; E837-D839 PolarHBondContact O-N 3.42Å
838L36.2Very low41.1Very low168 Ų168122.6 Ų122.688%0.8866%0.663SS**  trans-76.380.1170.8-122.5154.9000110.4T840L838-T840 PolarHBondContact O-N 3.16Å
839D40.3Very low42.4Very low132 Ų132121.7 Ų121.771%0.70666%0.657SS**  trans-62.5120.9170.3-168.519.4000109E837E837-D839 VanDerWaalsContact C-N 3.35Å; E837-D839 PolarHBondContact O-N 3.42Å
840T46.9Very low43.3Very low77 Ų77118.2 Ų118.247%0.47266%0.655SS.*  trans-76.5135.5-168.847.80000110.8M113 L838 K842M113-T840 HydrophobicContact CE-CG2 4.09Å; L838-T840 PolarHBondContact O-N 3.16Å; T840-K842 PolarHBondContact O-N 3.34Å
841P42.3Very low44.8Very low75 Ų75116 Ų11649%0.48765%0.651SS.*  trans-6995.4-175.427.7-35000110.4S843 T857P841-S843 PolarHBondContact O-N 3.22Å; P841-S843 VanDerWaalsContact O-N 3.11Å; P841-T857 HydrophobicContact CB-CG2 3.95Å; P841-T857 HydrophobicContact CG-CG2 4.25Å
842K47.9Very low45.8Very low160 Ų160112.9 Ų112.970%0.69663%0.628SS**  trans-54.3117.3178.7-77.9167.7179.7142.30110.4T840 R844 G858T840-K842 PolarHBondContact O-N 3.34Å; K842-R844 PolarHBondContact O-N 3.23Å; K842-G858 PolarHBondContact O-N 3.38Å
843S54.4Low47.3Very low59 Ų59107 Ų10741%0.41360%0.598SS.*EExtended strand (participates in β ladder)trans-65116.2170.239.90000109P841 H856P841-S843 PolarHBondContact O-N 3.22Å; P841-S843 VanDerWaalsContact O-N 3.11Å; S843-H856 CarbonylContact C-O 3.52Å; S843-H856 WeakPolarHBondContact CA-O 3.08Å
844R54.9Low49.5Very low209 Ų209105 Ų10579%0.78957%0.573SS**EExtended strand (participates in β ladder)trans-77-27.7179.2-71.9-179.165.5-175.5-2.1112K842 H856 G858K842-R844 PolarHBondContact O-N 3.23Å; R844-H856 PolarHBondContact N-O 3.1Å; R844-G858 VanDerWaalsContact CD-CA 3.5Å
845S61Low51.3Low37 Ų3799.1 Ų99.126%0.25953%0.532SS..EExtended strand (participates in β ladder)trans-152.3156.9169.462.20000111.4H847 H856S845-H847 WeakPolarHBondContact CB-NE2 3.37Å; S845-H847 PolarHBondContact OG-NE2 2.99Å; S845-H856 PolarHBondContact O-N 3.39Å
846V64.1Low53Low41 Ų4197.2 Ų97.225%0.24851%0.509CS..EExtended strand (participates in β ladder)trans-133127169.5-178.20000106.8L853 V854 A855V846-L853 HydrophobicContact CG1-CD2 3.8Å; V846-V854 WeakPolarHBondContact CA-O 3.41Å; V846-A855 HydrophobicContact CG2-CB 4.01Å
847H63.3Low54.4Low113 Ų11393.6 Ų93.652%0.52348%0.483SS..EExtended strand (participates in β ladder)trans-134.2151.1-179.3-61.1-56.3000110.5S845 V854S845-H847 WeakPolarHBondContact CB-NE2 3.37Å; S845-H847 PolarHBondContact OG-NE2 2.99Å; H847-V854 PolarHBondContact N-O 3.28Å; H847-V854 PolarHBondContact O-N 3.08Å
848F56.2Low55.3Low120 Ų12086.6 Ų86.653%0.52646%0.462SS..EExtended strand (participates in β ladder)trans-82.6133.5167.2-75.5-88.6000109.1L853F848-L853 HydrophobicContact CD1-CD2 4.1Å; F848-L853 HydrophobicContact CD1-CG 4.16Å; F848-L853 HydrophobicContact CD2-CD2 4.13Å; F848-L853 HydrophobicContact CE1-CD1 4.3Å; F848-L853 HydrophobicContact CE1-CD2 3.78Å; F848-L853 HydrophobicContact CE1-CG 3.72Å; F848-L853 HydrophobicContact CE2-CD2 3.81Å; F848-L853 HydrophobicContact CG-CD2 4.28Å; F848-L853 HydrophobicContact CZ-CD1 4.32Å; F848-L853 HydrophobicContact CZ-CD2 3.63Å; F848-L853 HydrophobicContact CZ-CG 3.98Å
849S58.1Low55.9Low70 Ų7084 Ų8449%0.4946%0.457SS..EExtended strand (participates in β ladder)trans-144.2117.3171.1-173.50000108.1D851 V852S849-D851 PolarHBondContact O-N 3.38Å; S849-V852 PolarHBondContact N-O 2.85Å; S849-V852 PolarHBondContact O-N 2.79Å; S849-V852 VanDerWaalsContact O-N 3.1Å
850N49.2Very low56.2Low148 Ų14879.6 Ų79.679%0.79144%0.443SS*.THydrogen-bonded Turntrans42.364.2-178.9-59.2-1.6000112.5V852N850-V852 PolarHBondContact O-N 3.24Å
851D58.7Low56.3Low140 Ų14082.5 Ų82.575%0.74946%0.463SS*.THydrogen-bonded Turntrans62-0.4177.8-49.7-49.1000116.9S849S849-D851 PolarHBondContact O-N 3.38Å
852V53.4Low56.6Low45 Ų4586.4 Ų86.427%0.27348%0.475SS..EExtended strand (participates in β ladder)trans-100.3137.3175.6178.60000111.2S849 N850 V854 L865S849-V852 PolarHBondContact N-O 2.85Å; S849-V852 PolarHBondContact O-N 2.79Å; S849-V852 VanDerWaalsContact O-N 3.1Å; N850-V852 PolarHBondContact O-N 3.24Å; V852-V854 HydrophobicContact CG1-CG2 4.11Å; V852-L865 HydrophobicContact CG1-CD2 4.12Å
853L63.4Low56.7Low43 Ų4381.6 Ų81.623%0.22546%0.46CS..EExtended strand (participates in β ladder)trans-81.6111.4167.5-87.4166.6000110V846 F848 L866V846-L853 HydrophobicContact CG1-CD2 3.8Å; F848-L853 HydrophobicContact CD1-CD2 4.1Å; F848-L853 HydrophobicContact CD1-CG 4.16Å; F848-L853 HydrophobicContact CD2-CD2 4.13Å; F848-L853 HydrophobicContact CE1-CD1 4.3Å; F848-L853 HydrophobicContact CE1-CD2 3.78Å; F848-L853 HydrophobicContact CE1-CG 3.72Å; F848-L853 HydrophobicContact CE2-CD2 3.81Å; F848-L853 HydrophobicContact CG-CD2 4.28Å; F848-L853 HydrophobicContact CZ-CD1 4.32Å; F848-L853 HydrophobicContact CZ-CD2 3.63Å; F848-L853 HydrophobicContact CZ-CG 3.98Å; L853-L866 HydrophobicContact CB-CB 4.37Å; L853-L866 PolarHBondContact O-N 3.25Å
854V72.6Confident56.7Low22 Ų2283 Ų8313%0.13346%0.463CS..EExtended strand (participates in β ladder)trans-106.8124.6-178-1740000109.3V846 H847 V852 P863 L865V846-V854 WeakPolarHBondContact CA-O 3.41Å; H847-V854 PolarHBondContact N-O 3.28Å; H847-V854 PolarHBondContact O-N 3.08Å; V852-V854 HydrophobicContact CG1-CG2 4.11Å; V854-P863 HydrophobicContact CG1-CB 3.66Å; V854-P863 HydrophobicContact CG1-CG 4.26Å; V854-L865 HydrophobicContact CG2-CD2 4.42Å
855A68.3Low56.7Low4 Ų478.4 Ų78.43%0.03345%0.453CS..EExtended strand (participates in β ladder)trans-116.1128.1178.900000112.4V846 L864 L866V846-A855 HydrophobicContact CG2-CB 4.01Å; A855-L864 PolarHBondContact N-O 3.43Å; A855-L864 PolarHBondContact O-N 3.39Å; A855-L866 HydrophobicContact CB-CD1 3.57Å; A855-L866 HydrophobicContact CB-CD2 4.4Å; A855-L866 HydrophobicContact CB-CG 3.83Å
856H64.5Low56.5Low88 Ų8880.6 Ų80.641%0.40746%0.462SS..EExtended strand (participates in β ladder)trans-95.8104.5176.2-66-80.7000110.4S843 R844 S845S843-H856 CarbonylContact C-O 3.52Å; S843-H856 WeakPolarHBondContact CA-O 3.08Å; R844-H856 PolarHBondContact N-O 3.1Å; S845-H856 PolarHBondContact O-N 3.39Å
857T56.8Low55.5Low25 Ų2580.8 Ų80.815%0.15347%0.465CS..EExtended strand (participates in β ladder)trans-71.7139.916652.70000109.4P841 S859 L864P841-T857 HydrophobicContact CB-CG2 3.95Å; P841-T857 HydrophobicContact CG-CG2 4.25Å; T857-S859 PolarHBondContact O-N 3.13Å; T857-L864 HydrophobicContact CG2-CD1 3.7Å; T857-L864 HydrophobicContact CG2-CG 4.28Å
858G49.7Very low54.4Low43 Ų4380.6 Ų80.644%0.44348%0.476SS..THydrogen-bonded Turntrans-69.43.8-166.400000117.7K842 R844K842-G858 PolarHBondContact O-N 3.38Å; R844-G858 VanDerWaalsContact CD-CA 3.5Å
859S47.9Very low53.3Low113 Ų11378 Ų7879%0.7948%0.477SS*.THydrogen-bonded Turntrans-151.611.9-168.352.80000114.5T857T857-S859 PolarHBondContact O-N 3.13Å
860G46.5Very low52.2Low39 Ų3980.4 Ų80.440%0.40249%0.491SS..  trans-110.4145.6-179.600000113.2E862G860-E862 VanDerWaalsContact C-N 3.29Å
861P49.4Very low51.6Low139 Ų13979.2 Ų79.290%0.90348%0.484SS*.SBendtrans-77.9-12.1175.132.7-35.6000113.7
862E47.9Very low50.8Low157 Ų15782.2 Ų82.273%0.73449%0.49SS*.SBendtrans-118.2133.7179.4-64.7-175148.200110.3G860G860-E862 VanDerWaalsContact C-N 3.29Å
863P50.7Low49.9Very low59 Ų5989 Ų8938%0.38352%0.519SS..  trans-73.1140.5170.431.8-33.4000110.1V854 L865V854-P863 HydrophobicContact CG1-CB 3.66Å; V854-P863 HydrophobicContact CG1-CG 4.26Å; P863-L865 PolarHBondContact O-N 3.06Å
864L54.4Low48.6Very low89 Ų8992.7 Ų92.747%0.46655%0.549SS..EExtended strand (participates in β ladder)trans-76.9114.2173.9-65.3178.6000109.1A855 T857 L866A855-L864 PolarHBondContact N-O 3.43Å; A855-L864 PolarHBondContact O-N 3.39Å; T857-L864 HydrophobicContact CG2-CD1 3.7Å; T857-L864 HydrophobicContact CG2-CG 4.28Å; L864-L866 HydrophobicContact CB-CD2 3.97Å; L864-L866 PolarHBondContact O-N 3.2Å
865L54.8Low46.6Very low111 Ų11195.9 Ų95.958%0.58158%0.577SS**EExtended strand (participates in β ladder)trans-72.4104167.7-56.4-179.8000107.8V852 V854 P863 S867V852-L865 HydrophobicContact CG1-CD2 4.12Å; V854-L865 HydrophobicContact CG2-CD2 4.42Å; P863-L865 PolarHBondContact O-N 3.06Å; L865-S867 VanDerWaalsContact C-N 3.34Å
866L56Low45Very low84 Ų84100.2 Ų100.244%0.4461%0.607SS.*  trans-83.3-9.2-172.5-65.4-172.6000114L853 A855 L864L853-L866 HydrophobicContact CB-CB 4.37Å; L853-L866 PolarHBondContact O-N 3.25Å; A855-L866 HydrophobicContact CB-CD1 3.57Å; A855-L866 HydrophobicContact CB-CD2 4.4Å; A855-L866 HydrophobicContact CB-CG 3.83Å; L864-L866 HydrophobicContact CB-CD2 3.97Å; L864-L866 PolarHBondContact O-N 3.2Å
867S43.4Very low43.5Very low45 Ų45103.9 Ų103.932%0.31563%0.63SS.*  trans-157.6124.1167.5-178.30000111.1L865 A869L865-S867 VanDerWaalsContact C-N 3.34Å; S867-A869 WeakPolarHBondContact OG-CB 3.14Å; S867-A869 PolarHBondContact OG-N 2.96Å; S867-A869 VanDerWaalsContact OG-N 3.07Å; S867-A869 PolarHBondContact OG-O 3.49Å
868S39.7Very low42.4Very low109 Ų109109.2 Ų109.276%0.76266%0.657SS**  trans-95.91.6161-450000112.2
869A34.4Very low41.8Very low66 Ų66116.4 Ų116.455%0.54568%0.679SS.*SBendtrans-75.9128.8176.100000108.9S867 L871S867-A869 WeakPolarHBondContact OG-CB 3.14Å; S867-A869 PolarHBondContact OG-N 2.96Å; S867-A869 VanDerWaalsContact OG-N 3.07Å; S867-A869 PolarHBondContact OG-O 3.49Å; A869-L871 PolarHBondContact O-N 3.02Å
870P33.7Very low41.1Very low120 Ų120120 Ų12078%0.77968%0.684SS**PPolyproline II helixtrans-60.7126.5174.425.7-32.9000108.8K872P870-K872 PolarHBondContact O-N 3.25Å
871L38.5Very low40.6Very low122 Ų122125.6 Ų125.664%0.63970%0.699SS**PPolyproline II helixtrans-57.3122.5159.9-73.3167.1000106A869 E873A869-L871 PolarHBondContact O-N 3.02Å; L871-E873 PolarHBondContact O-N 2.91Å; L871-E873 VanDerWaalsContact O-N 3.08Å
872K41.3Very low39.9Very low204 Ų204125.7 Ų125.789%0.88769%0.688SS**PPolyproline II helixtrans-48.7122.9178.3-84.9-171169-167.50108.5P870 S874P870-K872 PolarHBondContact O-N 3.25Å; K872-S874 PolarHBondContact O-N 2.78Å
873E34.7Very low39.1Very low186 Ų186126.1 Ų126.187%0.86969%0.693SS**PPolyproline II helixtrans-50.7136.4170.4-65.5175.7143.900108.4L871 A875L871-E873 PolarHBondContact O-N 2.91Å; L871-E873 VanDerWaalsContact O-N 3.08Å; E873-A875 PolarHBondContact O-N 3.35Å
874S36.4Very low38.3Very low122 Ų122126.9 Ų126.985%0.85371%0.711SS**  trans-56.6110.5173.2-59.40000107.5K872 S876K872-S874 PolarHBondContact O-N 2.78Å; S874-S876 PolarHBondContact O-N 3.44Å
875A30.1Very low37.2Very low88 Ų88132.1 Ų132.173%0.72773%0.731SS**  trans-56.2119179.300000108.6E873 D877E873-A875 PolarHBondContact O-N 3.35Å; A875-D877 PolarHBondContact O-N 3.47Å
876S33.6Very low36.2Very low95 Ų95132.6 Ų132.666%0.66474%0.74SS**  trans-66.2120.4168.746.50000107.9S874 D878S874-S876 PolarHBondContact O-N 3.44Å; S876-D878 PolarHBondContact O-N 2.84Å
877D34.6Very low35Very low166 Ų166132.8 Ų132.889%0.88875%0.748SS**SBendtrans-72.863.7170.9-77.5-46.2000110.2A875A875-D877 PolarHBondContact O-N 3.47Å
878D33.6Very low34.5Very low137 Ų137138.8 Ų138.873%0.73377%0.765SS**  trans-142.5150.3175.6-85.1-56.4000110.2S876S876-D878 PolarHBondContact O-N 2.84Å
879E36.9Very low34.2Very low194 Ų194142 Ų14291%0.90777%0.766SS**  trans6561.6175.2-51.4-138.1137.800117.6E881E879-E881 PolarHBondContact O-N 3.02Å
880Q32.6Very low34Very low189 Ų189144.3 Ų144.388%0.88377%0.774SS**  trans-75.4104.5154.1175.5-164.3-23.500110.6
881E36Very low34.1Very low155 Ų155148 Ų14872%0.72478%0.777SS**  trans-166.6151.4141.4-111.5-161126.400117.2E879E879-E881 PolarHBondContact O-N 3.02Å
882Q33.9Very low33.8Very low142 Ų142149.7 Ų149.766%0.66479%0.786SS**  trans58.1100.3148.9-71.5-170.446.400122.7
883I32.6Very low33.2Very low166 Ų166145.7 Ų145.785%0.85178%0.784SS**  151.5134.7111.1-80.1148.5000112.8
884G32.7Very low33.1Very low74 Ų74143 Ų14376%0.76378%0.779SS**  trans107.4101.916000000117.1
885K32.4Very low32.9Very low200 Ų200143.7 Ų143.787%0.8777%0.774SS**  trans-109160.5160.8-71.7-175.6178179.70109.7
886P32.4Very low32.8Very low121 Ų121145.4 Ų145.479%0.78678%0.779SS**  -126.4177.8114.436.8-32.8000113.2
887S31.3Very low32.6Very low87 Ų87144.4 Ų144.461%0.60878%0.784SS**  trans-153.7139.7-172.61700000111.1
888Y33.5Very low32.4Very low171 Ų171147.2 Ų147.267%0.67178%0.783SS**  trans-129.5101.5168.8-69-95.1000107.8
889F32.2Very low32.3Very low178 Ų178148 Ų14878%0.78179%0.788SS**  65.8125.891.4-86.9-86.6000113.4
890T31.7Very low31.9Very low114 Ų114146.5 Ų146.570%0.69978%0.783SS**  cis147.9120.9-11.5-85.10000105.8
891K35.1Very low31.7Very low197 Ų197142 Ų14286%0.85777%0.772SS**  trans173.8136162.5-101.8163.2-175.3179.40107.2
892L32.2Very low31.8Very low158 Ų158141.6 Ų141.683%0.82778%0.775SS**  cis-128.8156.72.2-72.1161.9000110.3
893S29.6Very low31.6Very low119 Ų119144.1 Ų144.183%0.83278%0.784SS**  trans-108145.7167.3-55.60000110.1
894V31.7Very low31.5Very low129 Ų129140.7 Ų140.778%0.78278%0.775SS**  trans-140.4119.7162.7179.50000109.1
895D33.1Very low31.5Very low137 Ų137146.5 Ų146.573%0.73378%0.779SS**  trans35.6116.9154.9-62.2-45.3000121.4
896C26.6Very low31.8Very low124 Ų124143 Ų14384%0.83878%0.777SS**  85.9118.763.9-71.30000112.9
897G30.7Very low31.9Very low74 Ų74142.3 Ų142.376%0.76377%0.772SS**  trans173.394.817800000113.9
898Y28.6Very low32.2Very low225 Ų225147.2 Ų147.288%0.88278%0.783SS**  trans-51.4145.3166.8-71.3-105.2000110.3
899N32.2Very low31.9Very low154 Ų154144.9 Ų144.982%0.82479%0.791SS**  -162171.771.6-136-35.3000115.1
900M28.3Very low31.9Very low162 Ų162147.8 Ų147.880%0.79880%0.797SS**  trans-100.1177-175.5-64.9-158.376.800114.7
901S29.6Very low31.7Very low95 Ų95147.6 Ų147.666%0.66480%0.796SS**  trans88.9160158.979.80000118.8
902N36.4Very low31.6Very low147 Ų147145.5 Ų145.579%0.78679%0.794SS**  trans73.264.1178.6-50.5-41.9000114.7
903F29.9Very low31.6Very low194 Ų194143.2 Ų143.285%0.85178%0.782SS**  65.8132.767.1-116.3-78.5000115.6
904S30.5Very low31.6Very low95 Ų95144.8 Ų144.866%0.66478%0.781SS**  trans63.498.8160.664.50000120.4
905K33.8Very low31.5Very low195 Ų195150.4 Ų150.485%0.84879%0.788SS**  -177.3107.2107.4-97.1158.3-174.5169.40112.4
906P38.8Very low31.5Very low127 Ų127149 Ų14983%0.82579%0.787SS**  trans-81.2142159.733.8-31.6000110.2
907P33.2Very low31.7Very low106 Ų106148.8 Ų148.869%0.68879%0.786SS**  trans-135.8131.6159.924.4-3.9000114.7
908K37.6Very low31.6Very low191 Ų191149.8 Ų149.883%0.8379%0.787SS**  trans70.583.4146.3-58.5171.5-175.8179.50116.9R910K908-R910 PolarHBondContact O-N 3.44Å
909S27.8Very low31.8Very low121 Ų121144.6 Ų144.685%0.84678%0.781SS**  trans-42.4132.2130.542.20000110.3
910R32.4Very low31.6Very low239 Ų239143.6 Ų143.690%0.90278%0.775SS**  trans-125.796171.9-170174.5-177176.60.3109.5K908K908-R910 PolarHBondContact O-N 3.44Å
911T28.7Very low31.9Very low110 Ų110142.4 Ų142.468%0.67578%0.78SS**  trans-61.7133.4178.5-16.70000111.1I913T911-I913 HydrophobicContact CG2-CD1 3.84Å; T911-I913 HydrophobicContact CG2-CG1 3.71Å
912N32.9Very low31.9Very low154 Ų154145.9 Ų145.982%0.82478%0.783SS**  trans-159.189165.2-139.520.3000104.6
913I30.2Very low31.6Very low110 Ų110150 Ų15056%0.56479%0.788SS**  53.3125.858.6-39.4-180000110.5T911T911-I913 HydrophobicContact CG2-CD1 3.84Å; T911-I913 HydrophobicContact CG2-CG1 3.71Å
914N30.1Very low31.7Very low152 Ų152150.8 Ų150.881%0.81379%0.785SS**  trans63.582.8172.3-59.2-22.6000118.4
915R30.3Very low31.9Very low247 Ų247155.1 Ų155.193%0.93280%0.795SS**  -158.7154.7114.3-108.2177.5172.1150.92.5111
916P32.5Very low31.8Very low108 Ų108153 Ų15370%0.70179%0.785SS**PPolyproline II helixtrans-83.6148.2-15331.8-36.8000114.2A918P916-A918 PolarHBondContact O-N 3.35Å
917S30.3Very low31.4Very low118 Ų118152.2 Ų152.283%0.82578%0.778SS**PPolyproline II helixtrans-49.9120.4153.6-43.80000108.9
918A30.3Very low31.4Very low96 Ų96153.2 Ų153.279%0.79378%0.777SS**PPolyproline II helixtrans-61.4125.9-174.300000110.7P916P916-A918 PolarHBondContact O-N 3.35Å
919P31.6Very low31Very low116 Ų116150.8 Ų150.875%0.75377%0.773SS**PPolyproline II helixtrans-73.7149.9-172.929.2-35.2000112.3
920L29.3Very low31.4Very low132 Ų132149.4 Ų149.469%0.69176%0.76SS**PPolyproline II helixtrans-54.8131.2171.4-67.3148.8000110.9F922L920-F922 HydrophobicContact CB-CD2 3.69Å; L920-F922 HydrophobicContact CB-CE2 4.3Å; L920-F922 HydrophobicContact CD1-CD2 4Å; L920-F922 HydrophobicContact CD1-CE2 4.01Å; L920-F922 HydrophobicContact CD2-CD2 4.46Å; L920-F922 HydrophobicContact CD2-CE2 4.24Å; L920-F922 HydrophobicContact CG-CD2 4.26Å; L920-F922 HydrophobicContact CG-CE2 4.42Å; L920-F922 PolarHBondContact O-N 3.43Å
921P33.1Very low31.5Very low138 Ų138143.2 Ų143.290%0.89675%0.753SS**  trans-76.756.3169.533.8-35.7000111.2
922F30.6Very low32Very low168 Ų168144.8 Ų144.874%0.73776%0.757SS**  trans-74.9155.2166-90.3-65.3000110.7L920L920-F922 HydrophobicContact CB-CD2 3.69Å; L920-F922 HydrophobicContact CB-CE2 4.3Å; L920-F922 HydrophobicContact CD1-CD2 4Å; L920-F922 HydrophobicContact CD1-CE2 4.01Å; L920-F922 HydrophobicContact CD2-CD2 4.46Å; L920-F922 HydrophobicContact CD2-CE2 4.24Å; L920-F922 HydrophobicContact CG-CD2 4.26Å; L920-F922 HydrophobicContact CG-CE2 4.42Å; L920-F922 PolarHBondContact O-N 3.43Å
923R30.9Very low32.2Very low233 Ų233143.7 Ų143.788%0.87975%0.752SS**  trans71.882.8157.9-159.8-177.7-162.6173.15.8117.2
924R31.5Very low32.7Very low210 Ų210144.2 Ų144.279%0.79276%0.76SS**  -166.657.8124.6-104171.8-162.4-144.15.4112.9F926R924-F926 HydrophobicContact CB-CE2 4.19Å; R924-F926 HydrophobicContact CG-CD2 4.49Å; R924-F926 HydrophobicContact CG-CE2 3.85Å; R924-F926 HydrophobicContact CG-CZ 4.22Å; R924-F926 PolarHBondContact O-N 3.32Å
925Q33.6Very low33.2Very low187 Ų187144 Ų14487%0.87476%0.759SS**  trans-75.2108152.6-81.6-172.9-16.100107.7V927Q925-V927 PolarHBondContact O-N 2.68Å
926F31.6Very low33.6Very low149 Ų149140.7 Ų140.765%0.65477%0.773SS**  trans-76.695.8168.9-76.4-89.8000108.6R924 L928R924-F926 HydrophobicContact CB-CE2 4.19Å; R924-F926 HydrophobicContact CG-CD2 4.49Å; R924-F926 HydrophobicContact CG-CE2 3.85Å; R924-F926 HydrophobicContact CG-CZ 4.22Å; R924-F926 PolarHBondContact O-N 3.32Å; F926-L928 PolarHBondContact O-N 3.38Å
927V31.8Very low33.7Very low111 Ų111142.3 Ų142.367%0.67378%0.777SS**  trans-73.983.3163.6-177.70000107.3Q925 N929Q925-V927 PolarHBondContact O-N 2.68Å; V927-N929 WeakPolarHBondContact CG1-OD1 3.27Å; V927-N929 PolarHBondContact O-N 3.43Å
928L33Very low33.8Very low128 Ų128143.6 Ų143.667%0.6777%0.774SS**  trans-74.680.9170.7-96.9161.8000108.8F926 T930F926-L928 PolarHBondContact O-N 3.38Å; L928-T930 HydrophobicContact CD2-CG2 3.84Å; L928-T930 PolarHBondContact O-N 2.78Å
929N29.2Very low34Very low140 Ų140146.2 Ų146.275%0.74977%0.773SS**  trans-67.283.2164.6-84.71.1000109V927V927-N929 WeakPolarHBondContact CG1-OD1 3.27Å; V927-N929 PolarHBondContact O-N 3.43Å
930T35.3Very low34.2Very low92 Ų92148 Ų14856%0.56477%0.774SS**  trans-119.151.9171.157.20000110.4L928 N932L928-T930 HydrophobicContact CD2-CG2 3.84Å; L928-T930 PolarHBondContact O-N 2.78Å; T930-N932 PolarHBondContact O-N 2.88Å
931S35.6Very low34.5Very low109 Ų109149 Ų14976%0.76278%0.779SS**  trans-70.871.1162.256.20000109.4N933S931-N933 PolarHBondContact O-N 3.1Å
932N37.7Very low34.6Very low142 Ų142149.7 Ų149.776%0.75977%0.772SS**  trans-72.365.1174.6-76.25.1000110.2T930 V934T930-N932 PolarHBondContact O-N 2.88Å; N932-V934 PolarHBondContact O-N 2.94Å; N932-V934 VanDerWaalsContact O-N 3.1Å
933N36.9Very low34.9Very low132 Ų132148.4 Ų148.471%0.70677%0.774SS**  trans-85.764.3171.7-162.55.2000109.7S931 N935S931-N933 PolarHBondContact O-N 3.1Å; N933-N935 PolarHBondContact O-N 3.3Å; N933-N935 PolarHBondContact OD1-ND2 3.39Å
934V41.6Very low35.2Very low121 Ų121141.9 Ų141.973%0.73377%0.766SS**  trans-85.989.6169.3-1780000107.1N932N932-V934 PolarHBondContact O-N 2.94Å; N932-V934 VanDerWaalsContact O-N 3.1Å
935N40.6Very low35.5Very low148 Ų148136.3 Ų136.379%0.79176%0.764SS**  trans-127.659.4173-93.3-42000109.9N933N933-N935 PolarHBondContact O-N 3.3Å; N933-N935 PolarHBondContact OD1-ND2 3.39Å
936S38.7Very low35.6Very low176 Ų176131.6 Ų131.6100%1.23175%0.754SS**  trans-160.50152.9-173.80000109.8

Retrieved 936 of 936 residues in 336 ms (Link to these results)