A0A913KUR9_SCHMA Loading...

Neuroblast differentiation-associated protein AHNAK AlphaSync

AlphaFold DB , UniProt , Accession A0A913KUR9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,408 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.2Very low32.8Very low228 Ų228141.5 Ų141.5100%1.12376%0.761SS**  0131.30-68.8154.1-176.400107.1
2S28.2Very low33Very low98 Ų98142.6 Ų142.669%0.68576%0.757SS**  cis82.975.237.375.40000113.3
3T32.4Very low32.8Very low105 Ų105139.7 Ų139.764%0.64476%0.756SS**  trans-151.3125.1163.734.10000104.6
4E29.9Very low33.2Very low163 Ų163138.3 Ų138.376%0.76276%0.757SS**  67113.279.3-65168.3159.700110.8
5M27.7Very low33.3Very low172 Ų172140.9 Ų140.985%0.84776%0.762SS**  56.9101.673.1-76.9-174.9153.200113.1
6N36.7Very low33.2Very low154 Ų154138.6 Ų138.682%0.82475%0.754SS**  -149.7132.1127.2-92-36.3000107.9
7P32.7Very low33.1Very low111 Ų111138.7 Ų138.772%0.72175%0.754SS**  trans-83.8-130.2160.436.8-31.8000108.2
8V35.1Very low33.1Very low115 Ų115140.8 Ų140.870%0.69776%0.758SS**  trans77.8122.7175.4179.70000113.3
9D34.9Very low33.1Very low122 Ų122138.1 Ų138.165%0.65275%0.751SS**  cis-157.7155.2-4.4-114.4-1.4000113.4
10I31.5Very low33Very low136 Ų136138.2 Ų138.270%0.69775%0.749SS**  35.7122.3129.1-54170.9000117.3
11E38.2Very low32.8Very low153 Ų153139.8 Ų139.872%0.71575%0.749SS**  -155.7147.880.1-93.2-159.8132.300115.6
12Q35.5Very low32.8Very low154 Ų154133.5 Ų133.572%0.7272%0.723SS**  trans46.7145.7142.7-56.8-178.13800121
13S29.9Very low33Very low105 Ų105135.5 Ų135.573%0.73473%0.726SS**  cis-168.9174.8-15.564.20000107
14P39.2Very low33.1Very low120 Ų120137.1 Ų137.178%0.77973%0.73SS**  trans-101.7157-151.538.1-36.6000116.9
15Q33.8Very low33.2Very low178 Ų178135.4 Ų135.483%0.83272%0.724SS**  -154.4125.7129.7-118.4-176.4-13.700113.3
16T32Very low33.8Very low104 Ų104135.1 Ų135.164%0.63872%0.718SS**  trans30.4142.3134.657.70000121.3
17D31.1Very low33.7Very low140 Ų140134 Ų13475%0.74971%0.71SS**  cis-170.5165.6-21.2-128.3-52.5000108.4
18E34.6Very low33.9Very low177 Ų177134.9 Ų134.983%0.82771%0.709SS**  trans59.4147.8177.1-58.1-177.2-176.200117.8
19S31.6Very low33.8Very low88 Ų88136 Ų13662%0.61571%0.711SS**  cis-160.8152.8-37.663.10000108.9
20I31.4Very low33.6Very low140 Ų140137 Ų13772%0.71872%0.717SS**  trans54.3119.2135.4-69.1172.1000116.9
21K30.2Very low33.6Very low172 Ų172138.7 Ų138.775%0.74873%0.726SS**  cis-178.6162.617.6-124.9-176.8-156.3165.40112.4
22V33.5Very low33.3Very low96 Ų96141.2 Ų141.258%0.58274%0.735SS**  trans48.5113.2137.6160.10000117.8L24V22-L24 HydrophobicContact CG1-CD1 4.47Å; V22-L24 HydrophobicContact CG1-CG 4.42Å
23D31.6Very low33Very low141 Ų141138.5 Ų138.575%0.75473%0.733SS**  72.6157.766.5-73.5-61.4000114.8
24L33.7Very low32.8Very low138 Ų138139.1 Ų139.172%0.72373%0.732SS**  trans78.7138.8170.2-46.8178.9000115.7V22V22-L24 HydrophobicContact CG1-CD1 4.47Å; V22-L24 HydrophobicContact CG1-CG 4.42Å
25M33.2Very low32.2Very low127 Ų127140.3 Ų140.363%0.62673%0.73SS**  cis173.7150.7-24-118.9-177.4-161.400106.9
26K39.5Very low31.7Very low167 Ų167137.6 Ų137.673%0.72673%0.726SS**  trans69.3161.9149.9-67.6166.8-179158.70115.9
27I35Very low31.5Very low129 Ų129138.1 Ų138.166%0.66273%0.733SS**  cis-155.1155.10.7-127.3164.3000112.7
28D36.4Very low31.2Very low131 Ų131140 Ų14070%0.70173%0.734SS**  trans37.6121152.8-48.1-18000124.8
29D34.1Very low30.7Very low139 Ų139138.6 Ų138.674%0.74373%0.732SS**  36.5130.9117.1-94.1-50.2000124.3
30N30.4Very low30.5Very low143 Ų143143.9 Ų143.977%0.76574%0.74SS**  trans32.193.4135.6-78.9-74.2000120
31L31.9Very low30.4Very low171 Ų171142.8 Ų142.890%0.89574%0.736SS**  178.4156.6119.2-98.9162.1000114.4
32K31.6Very low30.4Very low205 Ų205139.7 Ų139.789%0.89173%0.731SS**  trans71.4144.4176.9-68.8-176.2174.9179.30117.6
33S28Very low30.4Very low98 Ų98138.3 Ų138.369%0.68572%0.72SS**  trans-104.4172.9175.8610000112.3
34T25.9Very low30.7Very low117 Ų117137.3 Ų137.372%0.71872%0.719SS**  trans69.4114.3153.834.80000119.7
35I26.3Very low31.4Very low145 Ų145133.4 Ų133.474%0.74470%0.699SS**  trans89.696.8137.3-65.3170.9000118.1
36T24.6Very low31.7Very low121 Ų121130.6 Ų130.674%0.74269%0.69SS**  trans56.2110.5142.164.40000120.7
37C26.4Very low31.6Very low116 Ų116127.4 Ų127.478%0.78468%0.678SS**  -154.8101.2119.5-103.20000112.5
38K25.2Very low31.3Very low178 Ų178122 Ų12277%0.77465%0.652SS**  trans65.3116.9156.6-56177.4-172.6178.90115.6
39L25.6Very low31.4Very low149 Ų149124.5 Ų124.578%0.7866%0.656SS**  69.4143.969.3-69167.2000112.7
40Y26.3Very low31.5Very low198 Ų198124 Ų12478%0.77665%0.647SS**  trans77.4136.7-177.7-55.8-80.4000116.8
41D29.6Very low31.8Very low118 Ų118120.8 Ų120.863%0.63164%0.636SS**  cis-164.6135-35.4-117.110.3000110.9
42T30.1Very low31.8Very low107 Ų107120.8 Ų120.866%0.65663%0.629SS**  trans42168.2134.462.60000123.7
43L33.6Very low31.6Very low66 Ų66116.9 Ų116.935%0.34662%0.617SS.*  trans70.489.3164.6-49.8174.3000116.7D1158 H1160L43-D1158 WeakPolarHBondContact CD2-OD1 3.22Å; L43-H1160 WeakPolarHBondContact CD1-CE1 3.2Å; L43-H1160 WeakPolarHBondContact CD1-ND1 3.23Å
44T37.7Very low31.7Very low120 Ų120117.3 Ų117.374%0.73662%0.62SS**  -164.1107.9128.90.70000110.8P46T44-P46 HydrophobicContact CG2-CG 3.97Å; T44-P46 WeakPolarHBondContact O-CD 3.41Å
45D49.2Very low31.8Very low56 Ų56118.1 Ų118.130%0.29962%0.62SS.*  trans-95.3106.9156-160.148.1000107.3H1156 E1157D45-H1156 PolarHBondContact O-CE1 2.84Å; D45-H1156 PolarHBondContact O-ND1 2.87Å; D45-H1156 VanDerWaalsContact OD2-CA 3.27Å; D45-H1156 WeakPolarHBondContact OD2-CA 3.26Å; D45-H1156 PolarHBondContact OD2-N 3.43Å; D45-E1157 HydrophobicContact CB-CB 3.71Å; D45-E1157 HydrophobicContact CB-CG 4.21Å; D45-E1157 PolarHBondContact OD2-N 3.46Å
46P37.8Very low31.9Very low68 Ų68116.5 Ų116.544%0.44262%0.617SS.*  trans-49.5112.5156.331.4-7.3000121.7T44 H1155T44-P46 HydrophobicContact CG2-CG 3.97Å; T44-P46 WeakPolarHBondContact O-CD 3.41Å; P46-H1155 WeakPolarHBondContact O-CB 3.4Å; P46-H1155 PolarHBondContact O-CD2 3.49Å; P46-H1155 PolarHBondContact O-ND1 3.14Å
47E37.6Very low32.1Very low100 Ų100121.8 Ų121.847%0.46762%0.623SS.*  trans83.687.4133.9-82.7-91.18300121.4K50 H1155 H1156E47-K50 IonicContact OE1-NZ 2.58Å; E47-K50 PolarHBondContact OE1-NZ 3.18Å; E47-H1155 VanDerWaalsContact C-N 3.32Å; E47-H1155 WeakPolarHBondContact O-CB 2.88Å; E47-H1155 PolarHBondContact O-N 3.11Å; E47-H1155 PolarHBondContact O-ND1 3.5Å; E47-H1156 WeakPolarHBondContact CA-CD2 3.16Å; E47-H1156 PolarHBondContact N-CD2 3.37Å; E47-H1156 PolarHBondContact N-NE2 3.39Å
48C30Very low32Very low16 Ų16123.1 Ų123.111%0.10862%0.618CS.*  117.7161.6116.4-168.70000117.9K50 D1154 H1155 H1156C48-K50 VanDerWaalsContact SG-CB 3.55Å; C48-K50 WeakPolarHBondContact SG-CD 3.5Å; C48-K50 WeakPolarHBondContact SG-CG 3.29Å; C48-D1154 VanDerWaalsContact C-CG 3.45Å; C48-D1154 HydrophobicContact CB-CB 4.5Å; C48-D1154 WeakPolarHBondContact CB-OD1 3.22Å; C48-D1154 CarbonylContact O-C 3.01Å; C48-D1154 WeakPolarHBondContact O-CA 3.11Å; C48-D1154 WeakPolarHBondContact O-CB 3.23Å; C48-D1154 PolarHBondContact SG-OD1 3.01Å; C48-H1155 CarbonylContact O-C 3.46Å; C48-H1155 PolarHBondContact O-N 2.91Å; C48-H1156 PolarHBondContact N-CD2 3.21Å
49K37.8Very low32.2Very low183 Ų183120.4 Ų120.480%0.79662%0.617SS**  trans-17067.4179.5-117.2171.2-175.3159.80108.9D1154K49-D1154 WeakPolarHBondContact CA-OD2 3.17Å; K49-D1154 PolarHBondContact N-OD2 3.07Å
50K36.6Very low32.3Very low128 Ų128117.5 Ų117.556%0.55761%0.609SS**  trans-137.157.5-161.3-61.7175.9-158.1138.40115.4E47 C48 D1154E47-K50 IonicContact OE1-NZ 2.58Å; E47-K50 PolarHBondContact OE1-NZ 3.18Å; C48-K50 VanDerWaalsContact SG-CB 3.55Å; C48-K50 WeakPolarHBondContact SG-CD 3.5Å; C48-K50 WeakPolarHBondContact SG-CG 3.29Å; K50-D1154 PolarHBondContact N-OD2 2.88Å
51S35.2Very low32.8Very low76 Ų76115.2 Ų115.253%0.53161%0.61SS.*  trans-142.595.1139.550.20000108.1
52K33.6Very low33Very low172 Ų172115.4 Ų115.475%0.74862%0.616SS**  cis65.6120.531.4-157.5-164.8-177.5-172.10112.1
53L26.4Very low33.3Very low123 Ų123116 Ų11664%0.64462%0.621SS**  trans65.3119.9-176.5-60.1136.5000112.3
54S31Very low33.3Very low106 Ų106117.8 Ų117.874%0.74164%0.637SS**  cis60.868.620.393.80000114.8
55D27.4Very low33.1Very low134 Ų134118 Ų11872%0.71763%0.632SS**  trans-143.9116.3141.3-81.4-49.3000105.7
56V29.1Very low32.2Very low112 Ų112120.9 Ų120.968%0.67964%0.644SS**  67.372.674.5-175.80000111.5
57W27.2Very low31.9Very low231 Ų231127.8 Ų127.888%0.87566%0.663SS**  trans-125.3123.6131.4-87.9-18.3000106.5
58E25Very low31.4Very low145 Ų145129.2 Ų129.268%0.67867%0.67SS**  57.1113.463.5-57.2-169.3141.300109.2
59T29.8Very low31.6Very low121 Ų121136.5 Ų136.574%0.74270%0.702SS**  cis-163.7162.344.144.90000110.8
60S27.4Very low31.4Very low88 Ų88137.3 Ų137.362%0.61570%0.702SS**  trans38.8116.4148.666.90000118.4
61N37.4Very low30.9Very low150 Ų150138.6 Ų138.680%0.80272%0.715SS**  -157.2135.854.5-81.7-77.2000114.4
62T33.1Very low30.6Very low122 Ų122139.8 Ų139.875%0.74872%0.723SS**  trans-57.9164.515745.30000114.6
63P35.5Very low30.4Very low118 Ų118138.8 Ų138.877%0.76673%0.725SS**  cis-138.2-136.2-31.944.6-24.8000110
64P34.6Very low30.6Very low105 Ų105141.9 Ų141.968%0.68273%0.733SS**  trans-121.7-158.6-145.334.2-7.9000112.7
65L34.4Very low30.6Very low123 Ų123142.3 Ų142.364%0.64473%0.731SS**  -151.4134.7126.3-116.2174.1000111F1136L65-F1136 HydrophobicContact CB-CE2 4.32Å; L65-F1136 HydrophobicContact CB-CZ 4.05Å
66E29.6Very low30.7Very low117 Ų117144.7 Ų144.755%0.54774%0.735SS.*  trans-69.8156.7172.6-66.6157.898.100111.5Q68E66-Q68 PolarHBondContact OE1-NE2 3.24Å
67Y32Very low30.7Very low214 Ų214146.7 Ų146.784%0.83974%0.735SS**  -136.4113.3125.4-106.7-79.8000108.8
68Q26.4Very low31.1Very low129 Ų129141.1 Ų141.160%0.60372%0.722SS**  trans-84.7146.7157-50.2173.617.300106.7E66E66-Q68 PolarHBondContact OE1-NE2 3.24Å
69E33.3Very low31.6Very low170 Ų170141.8 Ų141.879%0.79473%0.729SS**  -162.8111.3122.2-123.1162.417900114.4
70Y34.3Very low31.7Very low199 Ų199141.1 Ų141.178%0.7873%0.728SS**  trans54.3107.4140.6-73.6-126.9000120.8
71D27Very low32Very low156 Ų156144.3 Ų144.383%0.83473%0.731SS**  trans-70127.1137.5-84.9-55.1000110
72S28.9Very low31.9Very low101 Ų101142.3 Ų142.371%0.70672%0.721SS**  155.2135.2127.5-74.60000116.3
73L27.7Very low32.1Very low150 Ų150143.2 Ų143.279%0.78572%0.721SS**  trans74.3132.7145.2-73.7163.6000121.4
74K32.4Very low32Very low189 Ų189142.4 Ų142.482%0.82271%0.714SS**  trans78.9141.9155.8-67.4163.9-175.4173.90117.8
75V30.2Very low32Very low114 Ų114143.6 Ų143.669%0.69171%0.713SS**  cis-166.8140.3-22.599.10000109.6
76K29.2Very low32Very low184 Ų184144.4 Ų144.480%0.872%0.718SS**  trans60.7163.8161.4-72.3177.8-172179.10117
77K30Very low32.2Very low155 Ų155144.8 Ų144.867%0.67473%0.728SS**  cis-162.8162.9-36.3-127.8178.3149.9-80.40107.6
78D35.9Very low32.3Very low114 Ų114140.4 Ų140.461%0.6172%0.719SS**  trans52.7101.4152.4-46.8-26.8000119.5
79L35.2Very low32.9Very low158 Ų158138.7 Ų138.783%0.82772%0.717SS**  -176.9131.9115.1-121.376.2000113.4
80C30.9Very low32.9Very low107 Ų107136.2 Ų136.272%0.72371%0.714SS**  trans57.6148.5153.5-67.50000121.4
81K34.2Very low33.2Very low156 Ų156133.2 Ų133.268%0.67871%0.711SS**  cis-167.6162.1-24.3-117.5-175.5165.3-71.40107.7
82D35.5Very low33.7Very low108 Ų108132.3 Ų132.358%0.57871%0.706SS**  trans26127138.4-43.7-3.5000116.8
83D36.6Very low34.3Very low141 Ų141134.7 Ų134.775%0.75471%0.711SS**  cis168.3172.942.6-105.83.4000106.9
84T33.7Very low34.7Very low100 Ų100134.3 Ų134.361%0.61371%0.71SS**  cis-165.5165.2-13.426.10000111.3
85I35Very low34.9Very low131 Ų131133.6 Ų133.667%0.67271%0.709SS**  trans54.1111.2137.4-64.9161.5000121.5
86N35Very low34.9Very low140 Ų140136.1 Ų136.175%0.74972%0.717SS**  167.6122.4113.6-93.5-40.8000108.9
87V32.5Very low35.4Very low124 Ų124136.1 Ų136.175%0.75272%0.717SS**  73.8113.855.3176.90000113
88D35Very low35.7Very low123 Ų123137.1 Ų137.166%0.65872%0.722SS**  trans-169.4147.5141.2-131.4-7.4000113.4
89V38.1Very low35.6Very low93 Ų93139.8 Ų139.856%0.56474%0.735SS**  trans57.9126.7155.3176.10000119.9
90V33.2Very low35.4Very low118 Ų118141 Ų14172%0.71574%0.737SS**  cis104.1144.725.4171.90000114.6
91N40.3Very low35.6Very low135 Ų135142.8 Ų142.872%0.72274%0.739SS**  trans82.2158.9-177.1-43-62.9000116.4
92D38.3Very low35.4Very low138 Ų138141 Ų14174%0.73874%0.741SS**  cis-179.2175.2-49.4-96.2-35.7000109.1
93D41.1Very low35.1Very low150 Ų150143.5 Ų143.580%0.80275%0.749SS**  trans69.496.3159-66.4-16.8000123.1
94D36.8Very low34.8Very low143 Ų143145.1 Ų145.177%0.76575%0.75SS**  52.495119.8-93.39.1000123.9
95H36.3Very low34.5Very low174 Ų174148.4 Ų148.481%0.80676%0.763SS**  61.6113.6123-83.3-62.1000123.8
96L30.9Very low34.3Very low166 Ų166145.4 Ų145.487%0.86976%0.764SS**  trans-62.4137.1168.4-73.371.3000115
97K38.6Very low33.9Very low184 Ų184146.1 Ų146.180%0.877%0.767SS**  trans-169.2133.9161.3-100.3151.4-173.2164.70107.6
98K36.3Very low33.5Very low177 Ų177144.8 Ų144.877%0.7776%0.762SS**  cis-137135.7-6.3-55.7167.3-176.1170.90105.5
99L33.7Very low33Very low169 Ų169145.9 Ų145.989%0.88576%0.758SS**  55.6121.172.2-102.7169.5000115
100H31.8Very low32.5Very low185 Ų185148.1 Ų148.186%0.85676%0.756SS**  trans-120.6167177.3-116.2-96.3000109.4
101D34.3Very low32.2Very low144 Ų144148.2 Ų148.277%0.7775%0.749SS**  trans-80.9148.7-177.3-73.7-61.5000115.7
102T31Very low31.8Very low119 Ų119146 Ų14673%0.7374%0.74SS**  trans56.2118.4148.853.60000122.2
103E28.5Very low31.7Very low159 Ų159145.5 Ų145.574%0.74374%0.737SS**  trans62.9136.5144.5-61.7-170.6-149.100119
104K30.5Very low31.5Very low176 Ų176141.7 Ų141.777%0.76572%0.717SS**  cis-150.6172.120.9-141.6167.7-164.8163.10113.5
105L26.3Very low31.4Very low169 Ų169140 Ų14089%0.88570%0.701SS**  trans-40.5132.1179.9-67.5160.8000115.8
106G31Very low31.3Very low68 Ų68138.1 Ų138.170%0.70169%0.692SS**  trans-179.863.3172.600000109.7
107L26.6Very low31.4Very low154 Ų154135.7 Ų135.781%0.80668%0.679SS**  56.1116.998.7-85.2170.3000114.4
108C24.7Very low31.1Very low97 Ų97138.2 Ų138.266%0.65569%0.685SS**  trans70.9144.3154.7-63.50000116.5
109Y24.8Very low30.8Very low145 Ų145137.2 Ų137.257%0.56968%0.683SS**  cis-167157.5-1.6-128.9-165.7000110.2V408Y109-V408 HydrophobicContact CE1-CG2 3.91Å
110R26.9Very low30.7Very low140 Ų140134.7 Ų134.753%0.52868%0.679SS.*  trans68.3152.7149.8-67.8-177.7171140.74117.6
111H28.5Very low30.7Very low121 Ų121130.9 Ų130.956%0.5667%0.674SS**  cis-160.2138-14.2-116.8-26.5000108.3
112T30.9Very low30.7Very low88 Ų88131.6 Ų131.654%0.5468%0.676SS.*  trans55.9118131.363.20000120.1
113D36Very low30.5Very low127 Ų127134.3 Ų134.368%0.67968%0.68SS**  106.2153.778.4-71.80.8000106.8
114D36.2Very low30.8Very low71 Ų71135.9 Ų135.938%0.3869%0.685SS.*  cis-168.2158.5-19.2-105.7-24.6000112.8E157D114-E157 WeakPolarHBondContact CB-O 3.39Å
115Y35Very low30.8Very low106 Ų106133.6 Ų133.642%0.41668%0.681SS.*  trans66.4161.3143.8-76.9-133.6000119.9S156 E157Y115-S156 VanDerWaalsContact CE1-CA 3.46Å; Y115-S156 PolarHBondContact OH-N 3.45Å; Y115-S156 VanDerWaalsContact OH-N 3.14Å; Y115-E157 VanDerWaalsContact CD1-N 3.3Å
116E34.8Very low30.8Very low135 Ų135132.5 Ų132.563%0.63167%0.674SS**  cis-156.4152.5-27-116.8-175.4171.600112.7
117I33.1Very low30.6Very low116 Ų116134.7 Ų134.760%0.59568%0.678SS**  trans14.7137.2140.8-59164.6000121.4
118Y33Very low30.9Very low236 Ų236133.3 Ų133.393%0.92568%0.676SS**  trans-147.2174146.2-112.9-71.2000114.1
119H29.4Very low31.1Very low157 Ų157137.2 Ų137.273%0.72768%0.684SS**  -155.988-128.3-141.7-61000117.2
120S31Very low31.3Very low115 Ų115138.1 Ų138.180%0.80470%0.698SS**  trans-158.3135.4166.753.10000112.6
121S31.1Very low31.5Very low106 Ų106137.5 Ų137.574%0.74171%0.705SS**  cis96.499.538.5-64.70000114
122I35.9Very low31.5Very low159 Ų159137.8 Ų137.882%0.81571%0.711SS**  trans-174.2110.9158.6-89.2142.8000103.5
123E27.1Very low31.4Very low176 Ų176138.2 Ų138.282%0.82272%0.715SS**  6889.462.9-64.6-164.8163.400115.2
124K34.8Very low31.1Very low191 Ų191140.7 Ų140.783%0.8373%0.725SS**  trans-170.5111.7143.8-108155.2-171.6172.30114.9
125D29.2Very low30.9Very low128 Ų128146.7 Ų146.768%0.68474%0.744SS**  51.7106.4128.6-56.5-25.3000123
126I27.5Very low30.6Very low147 Ų147148.8 Ų148.875%0.75476%0.76SS**  77.9121.2116.2-65.8163.8000120.8
127C26.7Very low30.3Very low114 Ų114147.1 Ų147.177%0.7776%0.761SS**  trans88.9145.8151.2-83.20000122.8
128T31.5Very low30.2Very low124 Ų124148.4 Ų148.476%0.76177%0.768SS**  trans5690176.650.70000115.2
129E29.2Very low29.9Very low180 Ų180146.5 Ų146.584%0.84176%0.764SS**  73.314470-67.4-168.5137.300114.9
130L30.1Very low30.3Very low163 Ų163146 Ų14685%0.85377%0.766SS**  trans73.595.2-173.9-55179.6000113.4
131D29.6Very low30.3Very low127 Ų127146.1 Ų146.168%0.67977%0.765SS**  cis54.8128.926.2-78.3-37.3000113.8
132N30Very low30.2Very low127 Ų127148.8 Ų148.868%0.67977%0.77SS**  cis-146.5145.18.1-126.1-74.6000109.4M134N132-M134 PolarHBondContact O-N 3.18Å
133P28.8Very low30Very low98 Ų98144.7 Ų144.764%0.63676%0.755SS**  trans-66.5124.6173.727.1-34.8000111.4Y135P133-Y135 PolarHBondContact O-N 3.23Å
134M28.4Very low30.1Very low178 Ų178140.6 Ų140.688%0.87775%0.746SS**  trans-7493.7176.9-170.7176.3-174.400111N132 I136N132-M134 PolarHBondContact O-N 3.18Å; M134-I136 PolarHBondContact O-N 3.48Å
135Y33Very low29.9Very low198 Ų198136.2 Ų136.278%0.77673%0.732SS**  trans-49.7133.9162.8-82.1-103000110.2P133 P137P133-Y135 PolarHBondContact O-N 3.23Å; Y135-P137 WeakPolarHBondContact O-CD 3.47Å
136I29Very low29.9Very low149 Ų149136.1 Ų136.176%0.76473%0.73SS**  trans-97.3100.8171.1-60.9178.5000108.1M134 I138M134-I136 PolarHBondContact O-N 3.48Å; I136-I138 PolarHBondContact O-N 2.98Å; I136-I138 VanDerWaalsContact O-N 3.15Å
137P28.4Very low30Very low100 Ų100136.3 Ų136.365%0.64972%0.722SS**  trans-73.9107.717829.5-34.5000110.2Y135 K139Y135-P137 WeakPolarHBondContact O-CD 3.47Å; P137-K139 PolarHBondContact O-N 2.84Å
138I30.2Very low30Very low144 Ų144135.3 Ų135.374%0.73871%0.713SS**  trans-71.786.1166.5-55.1179.7000107.8I136 L140I136-I138 PolarHBondContact O-N 2.98Å; I136-I138 VanDerWaalsContact O-N 3.15Å; I138-L140 VanDerWaalsContact C-N 3.31Å; I138-L140 HydrophobicContact CG2-CD2 4.44Å; I138-L140 HydrophobicContact CG2-CG 4.32Å; I138-L140 PolarHBondContact O-N 2.87Å
139K27.2Very low29.7Very low195 Ų195134.2 Ų134.285%0.84871%0.708SS**  trans-6888.3171.4-82.2-168.3170.9-1740110.1P137P137-K139 PolarHBondContact O-N 2.84Å
140L37Very low29.6Very low147 Ų147130.9 Ų130.977%0.7770%0.7SS**  trans-68.3136.7160.6-68.5176.2000109.3I138 L142I138-L140 VanDerWaalsContact C-N 3.31Å; I138-L140 HydrophobicContact CG2-CD2 4.44Å; I138-L140 HydrophobicContact CG2-CG 4.32Å; I138-L140 PolarHBondContact O-N 2.87Å; L140-L142 PolarHBondContact O-N 3.31Å
141P31.5Very low29.3Very low118 Ų118132.6 Ų132.677%0.76670%0.696SS**  trans-76.7110-179.929.6-33.1000111.6
142L28.5Very low29.3Very low162 Ų162137 Ų13785%0.84871%0.705SS**  trans24.5106.2139.9-58.7171.2000117.5L140L140-L142 PolarHBondContact O-N 3.31Å
143S32.3Very low29.2Very low72 Ų72136.8 Ų136.850%0.50371%0.708SS.*  172.2118.6107.639.60000111.4
144S29.8Very low29.3Very low90 Ų90140.8 Ų140.863%0.62972%0.718SS**  trans61.8154.8175.476.40000118.3
145N29.1Very low29.5Very low100 Ų100136.3 Ų136.354%0.53570%0.704SS.*  cis-164.8-178.8-39.8-96.1-25.9000108.1L681 D682N145-L681 HydrophobicContact CB-CD1 3.74Å; N145-L681 HydrophobicContact CB-CD2 4.2Å; N145-L681 HydrophobicContact CB-CG 4.43Å; N145-D682 PolarHBondContact ND2-O 3.31Å
146L30.3Very low29.6Very low125 Ų125129.5 Ų129.565%0.65469%0.686SS**  trans84.596.9154.3-158.773.2000119.7L681L146-L681 HydrophobicContact CB-CD1 4.09Å; L146-L681 HydrophobicContact CD1-CD1 3.56Å; L146-L681 HydrophobicContact CG-CD1 4.41Å
147Y29.6Very low29.9Very low151 Ų151129 Ų12959%0.59268%0.68SS**  trans61.9159.5131.2-76.2-138.7000120.5
148V25.7Very low30.2Very low94 Ų94131.2 Ų131.257%0.5768%0.682SS**  cis-155.4149.1-20.4122.40000107.9V150V148-V150 HydrophobicContact CG1-CG2 4.01Å
149P25.5Very low30.3Very low100 Ų100128 Ų12865%0.64967%0.672SS**  trans-81.2137.4171.933-33000112.1Y151P149-Y151 HydrophobicContact CB-CE2 4.2Å
150V26.8Very low30.5Very low111 Ų111123.9 Ų123.967%0.67367%0.668SS**  trans-128.9126.1172.2-177.70000109.5V148 Y152V148-V150 HydrophobicContact CG1-CG2 4.01Å; V150-Y152 HydrophobicContact CG1-CD2 4.08Å; V150-Y152 HydrophobicContact CG1-CE2 3.68Å
151Y25.4Very low30.4Very low198 Ų198121.2 Ų121.278%0.77666%0.659SS**  trans-111.2147.3178.6-64.5-96.7000110.4P149P149-Y151 HydrophobicContact CB-CE2 4.2Å
152Y29.4Very low30.6Very low220 Ų220124.3 Ų124.386%0.86366%0.661SS**  trans-142159.9164-79.4-71.9000110.3V150V150-Y152 HydrophobicContact CG1-CD2 4.08Å; V150-Y152 HydrophobicContact CG1-CE2 3.68Å
153V27.4Very low30.7Very low123 Ų123123 Ų12375%0.74565%0.654SS**  trans-146.4166.5-151.2-153.40000112
154Q30.9Very low30.6Very low181 Ų181125 Ų12585%0.84666%0.659SS**  trans76.2150.5164.4-73167.2-49.400118
155S32.9Very low30.8Very low85 Ų85128.6 Ų128.659%0.59466%0.663SS**  cis-171.9162.2-10.352.80000115.1
156S34.1Very low30.8Very low55 Ų55132.2 Ų132.239%0.38568%0.676SS.*  trans71.5126.4135.859.90000126.4Y115Y115-S156 VanDerWaalsContact CE1-CA 3.46Å; Y115-S156 PolarHBondContact OH-N 3.45Å; Y115-S156 VanDerWaalsContact OH-N 3.14Å
157E36.2Very low31Very low138 Ų138132.3 Ų132.365%0.64568%0.677SS**  trans82.2145.8138-70163.8-150.900122.3D114 Y115D114-E157 WeakPolarHBondContact CB-O 3.39Å; Y115-E157 VanDerWaalsContact CD1-N 3.3Å
158E34.7Very low31.3Very low146 Ų146131.6 Ų131.668%0.68268%0.681SS**  cis-176.5141.9-25.1-150.8-169.5-154.800113.3
159S31.6Very low31.9Very low77 Ų77132.4 Ų132.454%0.53868%0.682SS.*  trans84.2113.8143.7800000126.8
160S32.2Very low32.4Very low108 Ų108135.7 Ų135.776%0.75569%0.687SS**  75.2174.8124.1860000122.9
161P35.4Very low32.8Very low91 Ų91136.5 Ų136.559%0.59169%0.687SS**  -142.3-163.9-5336.7-14.9000115.8
162K34.8Very low33.5Very low183 Ų183133.2 Ų133.280%0.79668%0.683SS**  trans85.5154.3156.8-66.8160.1-175163.30118.8
163L31Very low33.8Very low135 Ų135127.9 Ų127.971%0.70768%0.678SS**  cis-163.5151.53.4-121.3163.8000115.3
164N30.6Very low34.1Very low113 Ų113130.9 Ų130.960%0.60468%0.681SS**  trans69.2122.7144.2-98.80.9000126.8
165K32.5Very low34.4Very low167 Ų167129.1 Ų129.173%0.72668%0.677SS**  52.4132.9122.3-62.9176.3-171.5179.30121.7
166H29.7Very low34.4Very low175 Ų175131.8 Ų131.881%0.8168%0.684SS**  69.1122.550.9-78.3-90.5000116.3
167N33.7Very low34.4Very low127 Ų127136.2 Ų136.268%0.67970%0.698SS**  176.7167.194.3-124.111.6000115
168M37.3Very low34.1Very low136 Ų136136.6 Ų136.667%0.6770%0.697SS**  trans69.8151.1159.5-61-10.1-150.700119.7
169D37.5Very low34.3Very low111 Ų111136.4 Ų136.459%0.59470%0.701SS**  cis-164.3153.9-15.1-104.9-18.9000115.8
170F36.6Very low34.2Very low169 Ų169137.4 Ų137.474%0.74171%0.708SS**  trans54118.2146.1-72.4-61.9000129
171N35.5Very low34.3Very low128 Ų128139.1 Ų139.168%0.68471%0.709SS**  87.3129.3120.8-8721000130.3
172D38.9Very low34.3Very low129 Ų129143.4 Ų143.469%0.6972%0.721SS**  98.6112.6125-84.2-37.9000127.3
173S36.2Very low34.2Very low108 Ų108140.3 Ų140.376%0.75571%0.713SS**  trans74.9156135.984.40000121.3
174K34Very low34.1Very low187 Ų187141.4 Ų141.481%0.81371%0.714SS**  cis-165.7171.9-34.5-119.1176-177.4171.60111
175N37.4Very low34.1Very low143 Ų143144.1 Ų144.177%0.76572%0.723SS**  trans76.7156.5171.5-53.5-24.8000117.6
176I32.7Very low33.8Very low142 Ų142142.4 Ų142.473%0.72872%0.72SS**  cis161.8112.8-45.7-85.3160.9000108.4
177H33.6Very low33.6Very low147 Ų147143.3 Ų143.368%0.68172%0.722SS**  trans176130.2131.4-116.120.9000116.1
178K30.5Very low33.2Very low146 Ų146141.8 Ų141.864%0.63572%0.721SS**  trans55.1127.3136.5-74.4179.9-177.6151.90125
179D37.9Very low32.8Very low142 Ų142144.1 Ų144.176%0.75973%0.733SS**  trans62152132.5-45.5-23.7000122
180S31.2Very low32.4Very low98 Ų98145.4 Ų145.469%0.68574%0.744SS**  cis-168.8143.9-35.3-171.10000111.2
181N33.3Very low32.1Very low145 Ų145141.8 Ų141.878%0.77574%0.74SS**  trans55.988.5159.9-69.3-24.2000122.4
182H35.6Very low31.7Very low180 Ų180143.9 Ų143.983%0.83375%0.745SS**  trans-159.9143.3132.4-123.963.8000117.8
183N31.7Very low31.2Very low119 Ų119143.7 Ų143.764%0.63674%0.738SS**  trans2.3137.8164.9-85.5-40.2000125.3
184H28.9Very low31Very low158 Ų158146.2 Ų146.273%0.73173%0.732SS**  trans74.7147.6142.9-78.7-64.8000122.8
185H31Very low30.8Very low169 Ų169143.7 Ų143.778%0.78273%0.727SS**  trans63.4114.8-178.1-67.7-80.2000115.8
186I26.7Very low30.4Very low132 Ų132143.6 Ų143.668%0.67773%0.726SS**  cis82.8107.636.6-54.8173000114.1
187K26Very low30.4Very low193 Ų193144.2 Ų144.284%0.83973%0.73SS**  trans72138165.4-70.6172.7-178-175.60117
188S25.9Very low30.1Very low95 Ų95141.4 Ų141.466%0.66473%0.727SS**  cis-159.2127.4-448.20000114.6
189M27.9Very low30.1Very low186 Ų186141.9 Ų141.992%0.91673%0.731SS**  43.9108.2126.3-54.9173.476.900119.3
190V28.9Very low29.8Very low137 Ų137140.8 Ų140.883%0.8373%0.726SS**  trans-139.8129.7153.7171.70000108
191S30.3Very low29.9Very low94 Ų94143.5 Ų143.566%0.65773%0.733SS**  trans45.9129.5160.1-68.10000121.4
192H27.4Very low29.6Very low171 Ų171144.5 Ų144.579%0.79274%0.737SS**  65.2134.366.6-64.5-56.6000112.8
193K28.6Very low29.3Very low125 Ų125141.1 Ų141.154%0.54373%0.734SS.*  cis-168170.83.9-147.9170.3166.8-164.10109.7
194Y31.2Very low29.3Very low162 Ų162143.8 Ų143.864%0.63574%0.74SS**  trans67.8161.8164-52.8-58.4000117.7
195L31.3Very low29.3Very low133 Ų133144.7 Ų144.770%0.69674%0.744SS**  cis-159.1164.7-24.3-107.5165.1000110.2
196L28.3Very low29.6Very low141 Ų141143.5 Ų143.574%0.73874%0.744SS**  trans34.5122.5152.1-70.2159.7000121.2
197N32.8Very low29.8Very low155 Ų155145.8 Ų145.883%0.82975%0.751SS**  -168159.995.8-109.6-13.6000114.1
198S26.2Very low29.8Very low88 Ų88141.8 Ų141.862%0.61575%0.748SS**  trans-92.3154.6175.947.30000112.9
199H30.7Very low30.2Very low156 Ų156144.6 Ų144.672%0.72275%0.751SS**  178.4139.3119.9-101.2-79.4000112.5
200D31.5Very low30.6Very low120 Ų120146.3 Ų146.364%0.64275%0.747SS**  trans30.5121.5148.9-38.7-28.8000119.3
201N33.2Very low30.7Very low155 Ų155148 Ų14883%0.82975%0.751SS**  -162.4164.767.3-98.4-83.2000114.6
202L27Very low30.8Very low165 Ų165148.1 Ų148.186%0.86476%0.757SS**  trans-84.6147178.7-65.175.3000112.4
203S30Very low31.1Very low110 Ų110145.7 Ų145.777%0.76976%0.759SS**  trans152136.1141.6178.20000111
204K30.4Very low31.2Very low174 Ų174146.5 Ų146.576%0.75777%0.77SS**  cis-173.4147.9-18.7-111.6173.2179.7-179.90104.7
205Q29.5Very low31Very low177 Ų177148 Ų14883%0.82778%0.775SS**  trans64.5153.7174.1-61.9165-101.500113.5
206D38Very low31Very low145 Ų145150 Ų15078%0.77578%0.78SS**  cis-122.617614.7-143.4-15.3000114
207E29.6Very low31Very low179 Ų179151.7 Ų151.784%0.83679%0.789SS**  trans-78.8152.1-160-66.8-169.6150.100117.4
208S27.9Very low30.8Very low110 Ų110150.9 Ų150.977%0.76978%0.784SS**  trans-58.4143.4177.452.30000115.9
209Q33.9Very low31Very low154 Ų154153.2 Ų153.272%0.7279%0.788SS**  trans-156.9147.8135.7-126178.384.400114.7
210R35.3Very low31Very low221 Ų221152.6 Ų152.683%0.83479%0.79SS**  trans75.496162.6-61.8169.8-165.4-129.8-5.7117.1
211L31.2Very low30.9Very low174 Ų174153.7 Ų153.791%0.91180%0.797SS**  trans-62.8150.6166.5-83.9154.6000113.5
212A32.5Very low30.9Very low96 Ų96155.1 Ų155.179%0.79380%0.798SS**  trans26.7124.814300000120.5
213S33Very low31.1Very low119 Ų119150.9 Ų150.983%0.83279%0.794SS**  trans-85.5147.915954.10000112.3
214D31.2Very low31Very low143 Ų143156.3 Ų156.377%0.76580%0.799SS**  trans-72.8151.6179.3-82.9-57.1000116.6
215Y28.5Very low31Very low193 Ų193156.7 Ų156.776%0.75780%0.804SS**  trans20.7108.6156-65-85.8000121.6
216H30Very low31.1Very low174 Ų174156 Ų15681%0.80681%0.806SS**  47.8116.6106.9-76.3-73.6000120.8
217I29.6Very low30.6Very low177 Ų177154.7 Ų154.791%0.90881%0.807SS**  trans-100.1128.8159.7-63169.3000108.3
218N28.4Very low30.8Very low139 Ų139154.3 Ų154.374%0.74381%0.809SS**  trans-108.3149.6-173.7-157.8-3.9000113.8
219I30.2Very low30.9Very low136 Ų136153.7 Ų153.770%0.69780%0.804SS**  trans-33.3145.1-174.5-65158.7000117.2
220N29.7Very low30.9Very low143 Ų143151 Ų15177%0.76579%0.79SS**  trans-120.1127.9164.6-175.111.1000110.3
221N30.1Very low30.6Very low144 Ų144146.8 Ų146.877%0.7778%0.775SS**  trans-98.8136.8-174.9-83.5-34.9000112.7
222Q32.9Very low30.7Very low184 Ų184142.6 Ų142.686%0.8675%0.754SS**  trans-149.2148.3170.5-69.3-167-4.500113.2
223G31.2Very low30.7Very low76 Ų76146.1 Ų146.178%0.78475%0.747SS**  trans101.5104.5149.900000117.3
224Y28Very low30.8Very low224 Ų224146.3 Ų146.388%0.87874%0.743SS**  trans-101.6176.5165.1-99.5-106.9000111.1
225E29.6Very low30.9Very low182 Ų182148.8 Ų148.885%0.8575%0.747SS**  trans94.1100.8160.7-55.2-171.3-175.200119.9
226N31.5Very low31.4Very low164 Ų164145.3 Ų145.388%0.87775%0.748SS**  -162.4178.6108.2-128.9-51000113.3
227C28.6Very low31.7Very low117 Ų117145.8 Ų145.879%0.79175%0.751SS**  trans-134.7176.5-171.2-78.10000115.5
228I34.6Very low31.9Very low171 Ų171143.1 Ų143.188%0.87775%0.745SS**  trans-91.5153.1-155-69.6167.8000116.3
229S29.4Very low32Very low96 Ų96143.7 Ų143.767%0.67175%0.748SS**  trans-157159.1165.646.40000112
230K33.2Very low32.1Very low98 Ų98141 Ų14143%0.42674%0.74SS.*  cis-162.8165-24.9-94-162.9171163.40110.2D430 V431 D432K230-D430 VanDerWaalsContact CA-OD2 3.23Å; K230-D430 WeakPolarHBondContact CA-OD2 3.21Å; K230-D430 HydrophobicContact CB-CB 4.01Å; K230-D430 WeakPolarHBondContact CB-OD2 3.23Å; K230-D430 HydrophobicContact CD-CB 4.09Å; K230-D430 VanDerWaalsContact CD-CG 3.41Å; K230-D430 WeakPolarHBondContact CD-OD1 3.31Å; K230-D430 WeakPolarHBondContact CE-OD1 3.14Å; K230-D430 HydrophobicContact CG-CB 4.22Å; K230-D430 WeakPolarHBondContact CG-OD2 3.4Å; K230-D430 IonicContact NZ-OD1 3.28Å; K230-V431 PolarHBondContact NZ-O 3.3Å; K230-D432 HydrophobicContact CD-CB 3.95Å; K230-D432 WeakPolarHBondContact CD-OD1 3.32Å; K230-D432 IonicContact NZ-OD1 3.99Å; K230-D432 PolarHBondContact NZ-OD1 2.88Å
231Y29.1Very low32.3Very low132 Ų132143.8 Ų143.852%0.51874%0.741SS.*  trans-90.5174.7176.4-9.2-95.9000115.8S428 P429 D430Y231-S428 WeakPolarHBondContact CB-O 3.44Å; Y231-S428 WeakPolarHBondContact CD2-O 3.4Å; Y231-P429 VanDerWaalsContact CD2-C 3.43Å; Y231-D430 HydrophobicContact CD2-CB 3.4Å; Y231-D430 VanDerWaalsContact CD2-CB 3.4Å; Y231-D430 WeakPolarHBondContact CD2-OD2 3.44Å; Y231-D430 HydrophobicContact CE2-CB 4.34Å; Y231-D430 HydrophobicContact CG-CB 4Å; Y231-D430 PolarHBondContact N-OD2 3.13Å; Y231-D430 WeakPolarHBondContact O-CB 3.14Å
232D33.5Very low32.2Very low87 Ų87143.1 Ų143.147%0.46574%0.737SS.*  trans-173.6145.5130.2-146.8-21.5000116.3P429D232-P429 WeakPolarHBondContact OD1-CB 3.25Å
233R32.2Very low32.1Very low169 Ų169141.4 Ų141.464%0.63873%0.733SS**  trans15.4136.3161.4-88.3160.8-79-148.4-5.7120.9P429R233-P429 HydrophobicContact CG-CB 4Å
234T36.2Very low32.1Very low124 Ų124145.4 Ų145.476%0.76173%0.731SS**  -170.913770.944.20000116.7
235K32.7Very low32.4Very low194 Ų194141.4 Ų141.484%0.84372%0.724SS**  34.2159.9127.7-66.9-173.9175.6-172.10123.5
236P39.1Very low32.3Very low121 Ų121137.9 Ų137.979%0.78672%0.718SS**  cis-137.5-179.5-25.238.7-19.7000115.6
237E35.6Very low32.5Very low183 Ų183136.6 Ų136.686%0.85571%0.711SS**  trans-94.1162-178.9-59.1155.8139.300114.4
238P34.2Very low32.6Very low122 Ų122136.6 Ų136.679%0.79271%0.707SS**  -139.2131.210735.2-21.6000113.7
239N31.6Very low32.4Very low151 Ų151136.7 Ų136.781%0.80770%0.704SS**  89.5154.482.5-115.127.7000113.9
240P31.6Very low32.5Very low80 Ų80137.3 Ų137.352%0.51970%0.704SS.*  -131.1-172.1-123.530.7-6.7000115.9
241Y33.3Very low32.3Very low201 Ų201140.9 Ų140.979%0.78872%0.722SS**  trans74.3137.1177.1-44.6-72.1000115.7
242D28.7Very low32.2Very low129 Ų129141.5 Ų141.569%0.6973%0.733SS**  cis-165.3159.2-23-114.7-6.9000108.7
243L29.5Very low32.1Very low148 Ų148143.5 Ų143.578%0.77574%0.744SS**  trans62.7156.3168.3-59.8151000117
244E31.4Very low32.1Very low160 Ų160142.9 Ų142.975%0.74875%0.748SS**  cis-164.3168.7-47.7-130.9179-157.600107.7
245I34.7Very low32.1Very low141 Ų141142.5 Ų142.572%0.72375%0.748SS**  trans68.3104.7166.8-58.7162.5000116.9
246C28.1Very low32Very low107 Ų107139.9 Ų139.972%0.72374%0.743SS**  41142.8124.8-53.40000121.1
247N36Very low31.7Very low137 Ų137141.1 Ų141.173%0.73374%0.74SS**  cis-166.2138.231.4-130.32.7000113.5
248V29.9Very low31.4Very low118 Ų118139.7 Ų139.772%0.71574%0.738SS**  trans59.3156.4135.4178.10000121.1
249Q30.1Very low31.2Very low173 Ų173139.2 Ų139.281%0.80873%0.733SS**  trans80.9133.5-178.7-51.5-164.8-0.300115.4
250T31.4Very low31Very low109 Ų109140.1 Ų140.167%0.66973%0.73SS**  cis-152.1132.2-8.94.50000111
251E28.9Very low30.8Very low172 Ų172143.9 Ų143.980%0.80474%0.741SS**  trans44.5160.3135.2-62.3-175.6161.400124.8
252L28Very low30.3Very low145 Ų145138.8 Ų138.876%0.75973%0.734SS**  trans82.5127.3160.5-69.2161.2000120.6
253N31.6Very low30.2Very low130 Ų130135.7 Ų135.770%0.69573%0.733SS**  trans70.4141.5152-53.7-12.8000118.5
254E32.6Very low30Very low155 Ų155136.8 Ų136.872%0.72473%0.731SS**  cis-156.7151.7-9-122.6178-160.500109.9
255P35.3Very low29.6Very low117 Ų117137.7 Ų137.776%0.7673%0.729SS**  trans-100.6123.5-179.435.1-28.4000112.9
256L30Very low29Very low139 Ų139138.9 Ų138.973%0.72873%0.729SS**  trans-139.9142-179.1-127.183.9000116.4
257M34.4Very low28.8Very low146 Ų146138.3 Ų138.372%0.71973%0.726SS**  trans59.197.3156-61.1-54.5168.500121.3
258N29Very low28.4Very low153 Ų153140.7 Ų140.782%0.81873%0.73SS**  -20.4128.7121.7-64-53.8000115.1
259T28.8Very low28.3Very low113 Ų113140.9 Ų140.969%0.69373%0.732SS**  trans-161.3114.4136.521.60000109.5
260K28.2Very low28Very low170 Ų170139 Ų13974%0.73973%0.727SS**  79.9133.486.1-79.7-174.6-167.7169.30114
261Q27Very low27.8Very low159 Ų159143.3 Ų143.374%0.74374%0.737SS**  trans62.8107.2139.9-70.9167.6-25.100117.6
262S22.5Very low28.1Very low94 Ų94138.8 Ų138.866%0.65774%0.736SS**  30122111.168.80000117
263G26.6Very low28.1Very low63 Ų63139.6 Ų139.665%0.64974%0.741SS**  35.1132.898.400000116.4
264K25.4Very low28.2Very low171 Ų171140.8 Ų140.874%0.74375%0.746SS**  -158-179.866.7-80.2139.8-179.3170.90110.8
265Y22.4Very low28Very low179 Ų179142.5 Ų142.570%0.70275%0.751SS**  trans82.6126.3145.1-71.7-48000118.7
266K23.5Very low27.8Very low166 Ų166145 Ų14572%0.72275%0.753SS**  trans70.5129.2130.9-64.8165.5-169.61570116.4
267S24.1Very low27.7Very low96 Ų96147.6 Ų147.667%0.67176%0.758SS**  cis-164.7-178-2.243.60000111.9
268K26.9Very low27.4Very low186 Ų186146.7 Ų146.781%0.80976%0.755SS**  -4.3129.3121.6-37173.9-177.5-177.70111.6
269T26.7Very low27.6Very low123 Ų123148.7 Ų148.776%0.75576%0.76SS**  cis-148.5140.739.730.10000110.1
270N24.5Very low27.7Very low134 Ų134151.3 Ų151.372%0.71776%0.762SS**  67.8133.466.6-168.112.4000113.2
271K28.5Very low27.7Very low198 Ų198149.9 Ų149.986%0.86176%0.76SS**  trans75.4131.3-176.6-50.3177-178.1-178.90115
272G34.5Very low27.9Very low77 Ų77149.9 Ų149.979%0.79476%0.757SS**  trans153.815.317900000117.3L274G272-L274 PolarHBondContact O-N 3.21Å; G272-L274 VanDerWaalsContact O-N 3.13Å
273L28.1Very low28.2Very low163 Ų163151.2 Ų151.285%0.85376%0.763SS**  trans-79.195.9-178.2-166.3166.6000110.6
274L32.5Very low28.4Very low155 Ų155157.6 Ų157.681%0.81277%0.773SS**  trans-143.5117.7171.7-117167.1000111.9G272G272-L274 PolarHBondContact O-N 3.21Å; G272-L274 VanDerWaalsContact O-N 3.13Å
275K29.1Very low28.5Very low191 Ų191157 Ų15783%0.8378%0.776SS**  trans-83.6118.2176.8-62.4170.9179.3174.30110.3
276Q30.2Very low29Very low170 Ų170157 Ų15779%0.79478%0.78SS**  trans-135.3130.9152.8-76.5-178.4-14.700106.7
277K28.7Very low29.3Very low193 Ų193155.8 Ų155.884%0.83978%0.779SS**  45.1119.182.2-76-174.8173.5-1770109.9
278L28.5Very low29.6Very low126 Ų126158.3 Ų158.366%0.6679%0.785SS**  cis-158.2147.537.4-159.664.1000110.4F280L278-F280 HydrophobicContact CD2-CD2 4.16Å; L278-F280 HydrophobicContact CD2-CE2 3.62Å; L278-F280 HydrophobicContact CD2-CZ 4.08Å
279Q32.3Very low30Very low195 Ų195157 Ų15791%0.91178%0.784SS**  trans-78.8122.9168.3-76.3-171.4-4.100110.2
280F31.8Very low30.2Very low169 Ų169158 Ų15874%0.74178%0.784SS**  trans-134.4109.1161.3-84.8-59.7000109.1L278L278-F280 HydrophobicContact CD2-CD2 4.16Å; L278-F280 HydrophobicContact CD2-CE2 3.62Å; L278-F280 HydrophobicContact CD2-CZ 4.08Å
281M27.8Very low30.5Very low140 Ų140158.3 Ų158.369%0.6979%0.786SS**  trans-178.398.9137.2-97.8-52.6107.700111.2
282K31.7Very low30.8Very low158 Ų158155.2 Ų155.269%0.68778%0.784SS**  trans46.488.3138.6-59.9172.8-172.9159.40117.9K284K282-K284 PolarHBondContact O-N 2.97Å
283P28.8Very low30.5Very low122 Ų122159.1 Ų159.179%0.79278%0.781SS**  trans-60.6133.3149.229.3-33.8000109.5
284K29.6Very low30.8Very low197 Ų197159.1 Ų159.186%0.85778%0.782SS**  trans-109.889.8168.3-87.1-172.2173.6179.90109.5K282 K286K282-K284 PolarHBondContact O-N 2.97Å; K284-K286 PolarHBondContact O-N 3.32Å
285I29.1Very low30.6Very low158 Ų158160.9 Ų160.981%0.8179%0.786SS**  trans-73116.5169.2-61.5171.4000108.2
286K31.6Very low30.7Very low180 Ų180159.3 Ų159.378%0.78379%0.785SS**  trans-154.4132.4163.1-82.2-158.6176.6-1670108.8K284K284-K286 PolarHBondContact O-N 3.32Å
287M30.9Very low30.7Very low140 Ų140157.7 Ų157.769%0.6979%0.787SS**  cis-140.3127.8-27.2-81.4178.9161.600105.2
288N30.1Very low30.9Very low149 Ų149155.9 Ų155.980%0.79779%0.785SS**  trans-115.5115.5160.9-167.911.8000106.2
289M34.2Very low31.3Very low160 Ų160155 Ų15579%0.78879%0.787SS**  trans-89.6123.2177.6-76.5-173.6168.800108.3
290N32.5Very low31.2Very low143 Ų143155.1 Ų155.177%0.76579%0.787SS**  trans-69.1151.1-178.8-68.5-18.4000111.7
291N31.1Very low31.1Very low140 Ų140150.5 Ų150.575%0.74979%0.787SS**  trans-32.6127.8170.9-51.4-3.5000114.9
292T34Very low31.2Very low133 Ų133150.9 Ų150.982%0.81679%0.787SS**  -134.4115129.932.10000104.2
293E28.5Very low31Very low159 Ų159151.9 Ų151.974%0.74379%0.786SS**  49.882.966.3-64.5-174.2-169.100111.8
294N33.7Very low31.1Very low163 Ų163153.8 Ų153.887%0.87278%0.782SS**  -169.9143.8116.8-90.9-49.7000111.4
295E28.2Very low31.2Very low192 Ų192151.2 Ų151.290%0.89778%0.776SS**  trans-82.6122.9177-58.7170105.600110.9
296I31.4Very low31.4Very low159 Ų159147.8 Ų147.882%0.81577%0.772SS**  trans-136.198.4159.3-59.2-174.7000111.2
297V29.9Very low31.6Very low136 Ų136145.5 Ų145.582%0.82477%0.768SS**  trans49.4101.7135-171.10000119.4
298I33.5Very low31.8Very low154 Ų154147 Ų14779%0.7977%0.773SS**  trans-66.9160.8152.2-59.4154.3000110
299P37.1Very low31.8Very low108 Ų108143.9 Ų143.970%0.70176%0.763SS**  cis-125.2174-14.535.7-20.4000114.4
300E30.7Very low31.6Very low198 Ų198143.4 Ų143.493%0.92576%0.764SS**  trans-160103.4136.7-117.9171.3-14500109.6
301G28.2Very low31.4Very low71 Ų71146.4 Ų146.473%0.73276%0.764SS**  104.2153.6101.600000110.9
302Q30.3Very low31.5Very low148 Ų148146.3 Ų146.369%0.69277%0.769SS**  cis-138.3156.5-16-67.2-162.625.300109.8
303R27.1Very low31.3Very low179 Ų179145.3 Ų145.368%0.67576%0.755SS**  26.6142127.8-48.8169.9177.3157.2-13.8117.6
304K32.5Very low31.3Very low162 Ų162144.2 Ų144.270%0.70475%0.748SS**  -153.414356.7-82.5-178.8177.4178.50111.3
305I31.2Very low30.9Very low143 Ų143145.8 Ų145.873%0.73374%0.742SS**  58.6124100.8-48.2168.7000110.8
306A33.3Very low30.9Very low86 Ų86146.3 Ų146.371%0.71174%0.735SS**  cis-148.9179.941.500000112.4
307D35.4Very low30.8Very low132 Ų132147.8 Ų147.871%0.70674%0.736SS**  cis-155.7178.5-11.1-133.6-25.3000112.9
308E34.7Very low30.9Very low171 Ų171148.3 Ų148.380%0.79974%0.739SS**  trans12.4159.9144-78.5-164.6168.400123.7
309S31.1Very low30.6Very low84 Ų84143.6 Ų143.659%0.58773%0.729SS**  cis-163.8153.3-15-177.60000111
310N29.8Very low30Very low150 Ų150144.5 Ų144.580%0.80274%0.736SS**  trans-1.4139.6162.9-60.8-86000122.7
311R28.2Very low29.8Very low206 Ų206140 Ų14078%0.77773%0.726SS**  trans109.291.2132.9-158.5-180-166.3173.21.7118.8E313R311-E313 IonicContact CZ-OE2 2.72Å; R311-E313 VanDerWaalsContact CZ-OE2 3.27Å; R311-E313 IonicContact NE-OE2 2.75Å; R311-E313 PolarHBondContact NE-OE2 2.69Å; R311-E313 IonicContact NH2-OE2 2.96Å; R311-E313 PolarHBondContact NH2-OE2 2.78Å
312T33.7Very low29.9Very low138 Ų138142.5 Ų142.585%0.84773%0.73SS**SBend-80150.3121.28.20000109.4K314T312-K314 PolarHBondContact O-N 3.09Å
313E28Very low29.7Very low113 Ų113145.3 Ų145.353%0.52874%0.74SS.*  trans-7295.3166.8-168.560.1-132.300109.9R311R311-E313 IonicContact CZ-OE2 2.72Å; R311-E313 VanDerWaalsContact CZ-OE2 3.27Å; R311-E313 IonicContact NE-OE2 2.75Å; R311-E313 PolarHBondContact NE-OE2 2.69Å; R311-E313 IonicContact NH2-OE2 2.96Å; R311-E313 PolarHBondContact NH2-OE2 2.78Å
314K28.5Very low29.8Very low135 Ų135144 Ų14459%0.58775%0.745SS**  trans24.8117.4147.1-75.7173.8-173.8149.60118.5T312T312-K314 PolarHBondContact O-N 3.09Å
315R26.2Very low29.6Very low197 Ų197146 Ų14674%0.74375%0.754SS**  trans74.9141.1141.8-50.6156.7174171.8-8.7114.4
316R29.1Very low29.4Very low202 Ų202148.3 Ų148.376%0.76276%0.759SS**  cis-141.3163.133-94.891.9178.5-164.3-5.7112.7
317K28Very low29Very low190 Ų190153.8 Ų153.883%0.82677%0.767SS**  trans23.5134.3134.6-46174.1180-173.60116.3
318V31.7Very low28.6Very low147 Ų147156.2 Ų156.289%0.89177%0.771SS**  cis-152156.247.7174.90000108.1
319G28Very low28.3Very low56 Ų56159 Ų15958%0.57778%0.776SS**  cis-161.9167.63.800000109.3
320C24.3Very low28.1Very low127 Ų127162.7 Ų162.786%0.85878%0.784SS**  52.2118.678.2-63.50000113.7
321S25.5Very low28.2Very low102 Ų102164.4 Ų164.471%0.71379%0.787SS**  cis-155.5154.8-2.4-72.90000112.1
322P30.3Very low28.4Very low124 Ų124163.1 Ų163.181%0.80579%0.79SS**  trans-65.7159.5170.9-20.333.5000113.9L324P322-L324 PolarHBondContact O-N 3.47Å
323K26.3Very low28.3Very low207 Ų207163.9 Ų163.990%0.979%0.789SS**  trans-64.9115.5177.6-56.8158.9-175.2166.50111.1
324L29.6Very low28.6Very low151 Ų151164.4 Ų164.479%0.79179%0.794SS**  trans-132.5130156.9-81.8178.6000110.9P322P322-L324 PolarHBondContact O-N 3.47Å
325K28Very low29Very low206 Ų206165.9 Ų165.990%0.89681%0.808SS**  trans-99.8104.1177.6-65.1175.9-179.3176.20108.8
326F28Very low29.2Very low191 Ų191163.1 Ų163.184%0.83881%0.808SS**  trans-108.8135162.4-83.1-84.2000110
327K25.3Very low29.6Very low201 Ų201161 Ų16187%0.87481%0.811SS**  trans-97.1143179-75.4-178.9173.8179.90109.5
328K26.4Very low30Very low183 Ų183160.4 Ų160.480%0.79681%0.811SS**  trans54.7118.1168.8-71.6-167.1167.4-158.80116
329Y28.9Very low30Very low228 Ų228158.5 Ų158.589%0.89480%0.8SS**  -147.6142.599.4-110.3-79.6000109.3
330E26.6Very low30.3Very low162 Ų162163.9 Ų163.976%0.75781%0.812SS**  trans-89.1132.2164.1-68.2160.6109.100107.3
331H32Very low30.6Very low186 Ų186165.8 Ų165.886%0.86181%0.808SS**  trans-158.8138.2144.7-123.2-81.6000110.7
332Q31.7Very low31Very low179 Ų179171.8 Ų171.884%0.83682%0.815SS**  trans-75140169.4-60.4152.5-22.900108.7
333N32.7Very low31.4Very low155 Ų155172.3 Ų172.383%0.82981%0.811SS**  trans-154.8154.9130.1-143.9-8.6000112.7
334I33.3Very low31.9Very low124 Ų124169.9 Ų169.964%0.63681%0.808SS**  trans-88.3153.9174.3-64.6156.3000108.5D336I334-D336 VanDerWaalsContact CG2-OD2 3.31Å; I334-D336 WeakPolarHBondContact CG2-OD2 3.33Å
335N36.6Very low31.9Very low165 Ų165172.3 Ų172.388%0.88281%0.812SS**  trans-161.2113.2154.5-102.7-27000110.6
336D31.9Very low32.1Very low139 Ų139168 Ų16874%0.74381%0.805SS**  trans-96.5124.9178.4-58.1-80000111.8I334I334-D336 VanDerWaalsContact CG2-OD2 3.31Å; I334-D336 WeakPolarHBondContact CG2-OD2 3.33Å
337L35.4Very low32.1Very low157 Ų157165.4 Ų165.482%0.82280%0.804SS**  trans-169.4131.7163.2-140.265.3000106.1
338E37.4Very low32.6Very low178 Ų178164.9 Ų164.983%0.83281%0.805SS**  cis-128.9154.313.8-56.1152.4146.200108.2
339V31.2Very low32.6Very low108 Ų108160 Ų16066%0.65580%0.799SS**  cis81.263.418.1-1610000116.8
340M34.2Very low33Very low169 Ų169155.9 Ų155.983%0.83380%0.797SS**  trans-151117.7132.4-81.9-158.3-7400107.5
341Q32.3Very low33.3Very low166 Ų166155.4 Ų155.478%0.77680%0.798SS**  62.996.360.7-65.5-161.98.700115.3
342R32.4Very low33.2Very low229 Ų229151.9 Ų151.986%0.86480%0.795SS**  -172.4159.4124-104.9169.9-173.8129.22.9112.3
343N39.9Very low33.1Very low135 Ų135146.5 Ų146.572%0.72279%0.788SS**  trans86.179.8173.7-56.511.5000117.5
344D35.7Very low32.9Very low155 Ų155148.3 Ų148.383%0.82979%0.788SS**  72.5149.3124.8-50.5-39.5000123.3
345K29.7Very low32.6Very low203 Ų203149.2 Ų149.288%0.88379%0.789SS**  trans-104172.9-170.3-78.3-179.4-178.9-1800109.7
346P32.6Very low32.2Very low116 Ų116151.2 Ų151.275%0.75379%0.786SS**  cis-133.5174.316.940.9-23.3000117.2
347V28.8Very low32Very low135 Ų135154.2 Ų154.282%0.81879%0.792SS**  trans-105.3127.3165.31700000107.7
348E34.2Very low31.8Very low191 Ų191155 Ų15589%0.89380%0.797SS**  trans-83.7147.8159.6-69.9-166.414100110.1
349A27.1Very low31.4Very low81 Ų81151.8 Ų151.867%0.66979%0.791SS**  trans-136.6119.2-169.700000112.9
350V36.3Very low31.3Very low140 Ų140154.9 Ų154.985%0.84880%0.798SS**  trans-136.390.1166.2-176.90000106
351I34.4Very low31.1Very low152 Ų152151.6 Ų151.678%0.77979%0.788SS**  87139.685.2-72.3165.1000112.7
352S30.4Very low31Very low112 Ų112150.1 Ų150.178%0.78379%0.785SS**  trans-70.1158.1-166.255.80000116.9
353G28.8Very low31Very low67 Ų67144.1 Ų144.169%0.69178%0.778SS**  123.597.4109.400000119.7
354K29.2Very low30.5Very low193 Ų193144.4 Ų144.484%0.83978%0.78SS**  trans51.6137.1140.8-64.6-176.3175.7-179.20121.5
355Q26.5Very low30.2Very low142 Ų142143.1 Ų143.166%0.66477%0.773SS**  trans70.5146.8151.4-105.4160.5-64.200115.2
356Y28.1Very low30.3Very low208 Ų208140.7 Ų140.782%0.81677%0.765SS**  cis-130.2173.515.7-81.8-98.8000113
357K27.3Very low30.2Very low201 Ų201142.6 Ų142.687%0.87477%0.767SS**  trans-106.6127.7162.7-98.2-171.7173.7-1750110.1
358L31.3Very low30.3Very low174 Ų174143.3 Ų143.391%0.91177%0.765SS**  trans-145.4125.8159-96.4171.4000108.3
359P28.9Very low30Very low111 Ų111142.2 Ų142.272%0.72176%0.76SS**  trans-110.5135.1177.336-26.9000112.5
360H28.5Very low30.3Very low172 Ų172144.2 Ų144.280%0.79676%0.76SS**  trans-174.9139.4140-118.8-117.4000111.6
361V30.1Very low30Very low101 Ų101143.9 Ų143.961%0.61276%0.757SS**  46.5134.8127166.80000119
362D31.3Very low30Very low135 Ų135143 Ų14372%0.72276%0.759SS**  cis-169.9-170.7-10.1-103.7-17.1000107.6
363S31.6Very low29.8Very low102 Ų102144.8 Ų144.871%0.71376%0.759SS**  trans87.9104.2168.9-45.90000113.7
364N29.1Very low30Very low142 Ų142150.5 Ų150.576%0.75977%0.768SS**  93.5136.955.1-78.1-29.3000112
365N30.5Very low30.1Very low128 Ų128147.8 Ų147.868%0.68477%0.768SS**  trans69108.1164.9-65.9-5.6000115.9
366Q30.7Very low30.3Very low152 Ų152146.6 Ų146.671%0.7177%0.772SS**  96.3174.769-86.7-179.462.100110.4
367L31.4Very low30.5Very low155 Ų155147.8 Ų147.881%0.81278%0.775SS**  trans70.891.9-163.1-47.1177.7000109.9
368I29.9Very low30.9Very low150 Ų150145.8 Ų145.877%0.76977%0.772SS**  60.991.859.6-47.7169.9000110.7
369E29.5Very low30.8Very low168 Ų168145.6 Ų145.679%0.78577%0.767SS**  trans-131.9130.1158.4-84-148.1131.800111
370N33Very low30.7Very low124 Ų124144.3 Ų144.366%0.66376%0.76SS**  trans64.474.6140-52.8-27.1000117.9T372N370-T372 PolarHBondContact O-N 3.26Å
371V29.6Very low30.7Very low132 Ų132145.5 Ų145.580%0.876%0.763SS**  trans-55.4115.6151.91750000109.1L373V371-L373 HydrophobicContact CG1-CD2 4.45Å; V371-L373 HydrophobicContact CG1-CG 4.37Å; V371-L373 PolarHBondContact O-N 3.06Å
372T33.7Very low30.6Very low133 Ų133150.1 Ų150.182%0.81678%0.775SS**  trans-83.8109166.6-57.40000108.9N370N370-T372 PolarHBondContact O-N 3.26Å
373L26.4Very low30.5Very low151 Ų151150.4 Ų150.479%0.79178%0.776SS**  trans-80127168.4-70164.9000109.3V371V371-L373 HydrophobicContact CG1-CD2 4.45Å; V371-L373 HydrophobicContact CG1-CG 4.37Å; V371-L373 PolarHBondContact O-N 3.06Å
374E32.4Very low30.4Very low187 Ų187152.4 Ų152.487%0.87478%0.784SS**  trans-154.6116.3145.5-90.8-134.1174.900112
375T31.3Very low30.3Very low136 Ų136155.7 Ų155.783%0.83479%0.786SS**  trans-141.4155.8153.457.60000105.6
376P32Very low30.4Very low116 Ų116160 Ų16075%0.75380%0.798SS**  cis-133.9-18013.642.8-28.1000114.5
377R31.5Very low30.3Very low234 Ų234157.7 Ų157.788%0.88380%0.795SS**  trans-171.4153.7135.4-113.1168.7179.8161.72.3117
378I36Very low30.4Very low158 Ų158160.1 Ų160.181%0.8180%0.799SS**  trans75123.1157.1-64.5162.1000118.1
379E29.5Very low30.3Very low171 Ų171160.6 Ų160.680%0.79980%0.8SS**  trans-91.8173-174.7-46.7173.9105.800113.8
380S26.6Very low30.6Very low83 Ų83161.7 Ų161.758%0.5880%0.804SS**  trans49.6100.2136-68.10000120.9
381K27.7Very low30.4Very low198 Ų198162.4 Ų162.486%0.86181%0.808SS**  46.3128.8116.6-58.7160.4-177.4163.50118.4
382K29Very low30.5Very low198 Ų198163.5 Ų163.586%0.86181%0.809SS**  145.997107.6-168.4173.8-175-178.10115
383L28.9Very low30.4Very low140 Ų140166.4 Ų166.473%0.73381%0.81SS**  trans49.7108.9131.4-165.3141.8000119.2R385L383-R385 HydrophobicContact CD2-CG 4.35Å
384T29.8Very low30.5Very low144 Ų144168.2 Ų168.288%0.88381%0.812SS**  trans-118.1124.1154.743.10000111.3
385R27.3Very low30.5Very low212 Ų212165.5 Ų165.580%0.880%0.803SS**  trans-79.5143.7169.2-74171164.5158.6-7.9109.4L383L383-R385 HydrophobicContact CD2-CG 4.35Å
386K33.1Very low30.3Very low217 Ų217167.1 Ų167.194%0.94380%0.801SS**  trans-115.595.4150.5-83.4-169.6174.7178.60110.7
387T28.4Very low30Very low104 Ų104166.4 Ų166.464%0.63879%0.794SS**  trans-58.4141.6172.1-49.10000111.3M389T387-M389 HydrophobicContact CG2-CG 4.07Å
388K32.1Very low29.7Very low207 Ų207163.6 Ų163.690%0.979%0.789SS**  trans-125104.1149.6-84.5-168.1173.1-175.90109
389M29Very low29.3Very low160 Ų160160.3 Ų160.379%0.78877%0.77SS**  trans-77.7135159-72-170.1-7400107.8T387T387-M389 HydrophobicContact CG2-CG 4.07Å
390H34.8Very low29.1Very low190 Ų190158.9 Ų158.988%0.8876%0.761SS**  trans-145.5128.6150-111.7-81.9000108.4
391N29.4Very low29Very low139 Ų139162.5 Ų162.574%0.74377%0.766SS**  trans-87.2143.4-175.8-90.9-37.7000112.2
392L32Very low29.1Very low156 Ų156157.7 Ų157.782%0.81775%0.753SS**  trans14.7113137.9-68.8155.5000117.4
393K31.9Very low29Very low194 Ų194153 Ų15384%0.84373%0.733SS**  trans-95.8132.6131.3-64.1-175176.7-177.80105.9
394K28.4Very low29Very low188 Ų188152.1 Ų152.182%0.81773%0.733SS**  48.386.866.1-80.9-158.7171.2-165.20112.5
395N31.3Very low28.8Very low131 Ų131149.1 Ų149.170%0.70172%0.719SS**  -154.6140.495.3-79.3-8.3000106.5
396E27.1Very low28.7Very low170 Ų170148.4 Ų148.479%0.79472%0.721SS**  cis74.8154.548.8-163.2176.6-100.600112.2
397V26.9Very low28.5Very low100 Ų100140.9 Ų140.961%0.60671%0.705SS**  trans89.889.7172.2-168.10000116.5
398K24.4Very low28.7Very low175 Ų175140 Ų14076%0.76170%0.699SS**  trans74.2155.2135.7-62.7177.9-179.9-175.40118.4
399E27.2Very low28.5Very low90 Ų90136 Ų13642%0.42168%0.684SS.*  cis-153.5178-8.7-127.5167-139.500113.4I1163E399-I1163 CarbonylContact O-C 3.41Å
400K25.3Very low28.5Very low140 Ų140135.4 Ų135.461%0.60968%0.677SS**  trans51.588.6151.4-69.8159.2179.6142.40118.5I1163 G1164K400-I1163 CarbonylContact O-C 3.51Å; K400-G1164 VanDerWaalsContact C-CA 3.46Å; K400-G1164 VanDerWaalsContact O-CA 3.22Å; K400-G1164 WeakPolarHBondContact O-CA 3.12Å; K400-G1164 PolarHBondContact O-N 3.03Å
401K25.5Very low28.2Very low159 Ų159133.5 Ų133.569%0.69167%0.668SS**  36.9131.4103.6-60.6177179.1178.80115.8G1164K401-G1164 CarbonylContact C-O 3.48Å; K401-G1164 WeakPolarHBondContact CA-O 3.05Å; K401-G1164 PolarHBondContact N-O 3.28Å
402V30.4Very low28Very low97 Ų97136.4 Ų136.459%0.58868%0.675SS**  cis-163.9160.421.6990000112.6G1164V402-G1164 PolarHBondContact N-O 3.38Å
403K26.5Very low27.7Very low101 Ų101133.2 Ų133.244%0.43967%0.665SS.*  trans-15.9155.4142.9-57.6153.7174.9167.90112.6S1166 F1167 S1168K403-S1166 VanDerWaalsContact CE-OG 3.31Å; K403-S1166 WeakPolarHBondContact CE-OG 3.1Å; K403-S1166 PolarHBondContact NZ-OG 2.95Å; K403-F1167 PolarHBondContact NZ-O 3.44Å; K403-S1168 PolarHBondContact NZ-OG 2.97Å
404T27.8Very low27.7Very low120 Ų120135.8 Ų135.874%0.73667%0.67SS**  -173.1115.462.4-53.70000108.5
405S25.2Very low27.8Very low82 Ų82136.4 Ų136.457%0.57367%0.672SS**  trans-45.4149.9160.256.40000114.8
406K25.5Very low27.6Very low196 Ų196134.6 Ų134.685%0.85267%0.668SS**  trans64125.7157.8-52150.5-176.4-179.10114.3
407G28.6Very low27.8Very low59 Ų59134.2 Ų134.261%0.60867%0.666SS**  cis169.8-136.61100000108.5
408V34.6Very low27.9Very low86 Ų86135.3 Ų135.352%0.52167%0.668SS.*  cis55.869.113-156.80000111.2Y109Y109-V408 HydrophobicContact CE1-CG2 3.91Å
409Q27.7Very low28.1Very low123 Ų123138 Ų13858%0.57567%0.674SS**  cis-117.9177.912.6-89.5-174.3-0.400110.3
410K27.7Very low28.6Very low148 Ų148141.9 Ų141.964%0.64370%0.696SS**  cis-154.4139.43.3-130.4167.1178.7150.60110.7
411E27.9Very low29.1Very low149 Ų149138.4 Ų138.470%0.69670%0.7SS**  41.2100.2124-167.3174-157.800120.7
412K26.1Very low29.2Very low201 Ų201138.3 Ų138.387%0.87471%0.707SS**  -134.9110.2123.5-76.4-164.9177.2178.30107.4
413S26.2Very low28.9Very low89 Ų89140 Ų14062%0.62272%0.717SS**  68.169.173.775.30000114.2
414R30.5Very low29Very low248 Ų248138.7 Ų138.794%0.93673%0.732SS**  trans-158.894.5137.2-105.1156.6-164.7-166.22.4111.8
415K30.4Very low29.2Very low200 Ų200142.3 Ų142.387%0.8774%0.738SS**  trans-48.8151.2135.2-83.2178.9-180176.90108.1
416P29.1Very low29.4Very low94 Ų94144.3 Ų144.361%0.6175%0.746SS**  cis-143.8-178.647.844-26.7000117
417E31Very low29.8Very low161 Ų161140.4 Ų140.475%0.75274%0.742SS**  trans66.9153151-77.2144.8-125.300119.8
418N28.7Very low30.4Very low123 Ų123140.4 Ų140.466%0.65873%0.733SS**  cis177.1127.5-39.2-110.3-28.2000105.4
419R27.6Very low30.6Very low233 Ų233139.4 Ų139.488%0.87973%0.729SS**  trans68146.5175.7-46.8155-176.2-168.3-1.1110.5
420L39.1Very low31.1Very low170 Ų170135.5 Ų135.589%0.8971%0.711SS**  cis-109.4165.722.4-64.3166.1000114.5
421G35.7Very low31.9Very low67 Ų67133.2 Ų133.269%0.69171%0.71SS**  34.699.7125.400000116.4
422L26.8Very low32.6Very low158 Ų158132 Ų13283%0.82771%0.708SS**  cis44.1117.346.7-84.2179.7000114.4
423T24Very low33.2Very low132 Ų132127.7 Ų127.781%0.8170%0.698SS**  trans56.3120.9154.858.60000119.3
424G29.2Very low33.8Very low73 Ų73128.6 Ų128.675%0.75371%0.705SS**  cis133.9-152.7-3.800000113.2
425K31.4Very low34.2Very low197 Ų197122.8 Ų122.886%0.85770%0.696SS**  trans6882.7178.3-63.3-176.9179.3176.70116.5
426V28.9Very low34.3Very low123 Ų123118.7 Ų118.775%0.74569%0.69SS**  -14.3130.7121.5178.50000113.8
427C35.2Very low34.8Very low114 Ų114119.7 Ų119.777%0.7770%0.7SS**  trans-137.3116.4144.8-93.10000109.8
428S41.4Very low35Very low60 Ų60121.6 Ų121.642%0.4271%0.705SS.*  trans-84.5172.8171-73.30000110.7Y231Y231-S428 WeakPolarHBondContact CB-O 3.44Å; Y231-S428 WeakPolarHBondContact CD2-O 3.4Å
429P37.2Very low35.4Very low65 Ų65125.6 Ų125.642%0.42272%0.717SS.*  trans-96.2152.4-179.334.6-31.8000114.1Y231 D232 R233Y231-P429 VanDerWaalsContact CD2-C 3.43Å; D232-P429 WeakPolarHBondContact OD1-CB 3.25Å; R233-P429 HydrophobicContact CG-CB 4Å
430D38.7Very low35.7Very low40 Ų40124 Ų12421%0.21472%0.716CS.*  trans-109.2159.1-168-133.7-47.9000115.4K230 Y231K230-D430 VanDerWaalsContact CA-OD2 3.23Å; K230-D430 WeakPolarHBondContact CA-OD2 3.21Å; K230-D430 HydrophobicContact CB-CB 4.01Å; K230-D430 WeakPolarHBondContact CB-OD2 3.23Å; K230-D430 HydrophobicContact CD-CB 4.09Å; K230-D430 VanDerWaalsContact CD-CG 3.41Å; K230-D430 WeakPolarHBondContact CD-OD1 3.31Å; K230-D430 WeakPolarHBondContact CE-OD1 3.14Å; K230-D430 HydrophobicContact CG-CB 4.22Å; K230-D430 WeakPolarHBondContact CG-OD2 3.4Å; K230-D430 IonicContact NZ-OD1 3.28Å; Y231-D430 HydrophobicContact CD2-CB 3.4Å; Y231-D430 VanDerWaalsContact CD2-CB 3.4Å; Y231-D430 WeakPolarHBondContact CD2-OD2 3.44Å; Y231-D430 HydrophobicContact CE2-CB 4.34Å; Y231-D430 HydrophobicContact CG-CB 4Å; Y231-D430 PolarHBondContact N-OD2 3.13Å; Y231-D430 WeakPolarHBondContact O-CB 3.14Å
431V45.5Very low35.3Very low101 Ų101125.6 Ų125.661%0.61272%0.716SS**  trans-12483.7-169.4-179.90000107.6K230 V433K230-V431 PolarHBondContact NZ-O 3.3Å; V431-V433 HydrophobicContact CG1-CG2 3.74Å; V431-V433 PolarHBondContact O-N 2.94Å
432D41.1Very low35.3Very low123 Ų123129 Ų12966%0.65872%0.724SS**  trans-81.669.2174.2-132.14.2000112.5K230 S434K230-D432 HydrophobicContact CD-CB 3.95Å; K230-D432 WeakPolarHBondContact CD-OD1 3.32Å; K230-D432 IonicContact NZ-OD1 3.99Å; K230-D432 PolarHBondContact NZ-OD1 2.88Å; D432-S434 PolarHBondContact O-N 2.89Å
433V39.4Very low35.4Very low111 Ų111131.3 Ų131.367%0.67373%0.728SS**  trans-80.399.7165.5174.50000108.4V431 V435V431-V433 HydrophobicContact CG1-CG2 3.74Å; V431-V433 PolarHBondContact O-N 2.94Å; V433-V435 HydrophobicContact CG1-CG2 4.37Å
434S38.4Very low35.7Very low108 Ų108127.9 Ų127.976%0.75572%0.719SS**  trans-85.9133.7171.754.60000111.1D432D432-S434 PolarHBondContact O-N 2.89Å
435V40.3Very low35.6Very low125 Ų125136.5 Ų136.576%0.75873%0.729SS**  trans-133.5126.7168.1-179.50000107.5V433 S437V433-V435 HydrophobicContact CG1-CG2 4.37Å; V435-S437 PolarHBondContact O-N 2.92Å
436P32.3Very low35.8Very low114 Ų114129.7 Ų129.774%0.7471%0.714SS**PPolyproline II helixtrans-78.8126.9-163.628.8-35.3000113.5
437S39.7Very low36.1Very low116 Ų116129.9 Ų129.981%0.81172%0.721SS**PPolyproline II helixtrans-73.9132.1163.358.90000110.3V435 K439V435-S437 PolarHBondContact O-N 2.92Å; S437-K439 PolarHBondContact O-N 3.38Å
438K35.2Very low35.9Very low200 Ų200134.5 Ų134.587%0.8773%0.728SS**PPolyproline II helixtrans-80.2122-171.1-63.9172.6-177.21750110.3K440K438-K440 PolarHBondContact O-N 3.47Å
439K36.5Very low35.5Very low208 Ų208135.3 Ų135.390%0.90475%0.746SS**PPolyproline II helixtrans-60.4123.1172.3-74-175.1177.2179.50109.6S437S437-K439 PolarHBondContact O-N 3.38Å
440K33.2Very low35.2Very low199 Ų199142 Ų14287%0.86577%0.769SS**PPolyproline II helixtrans-76.8122.9-172.1-157.6171.5-173.3175.90109.6K438 T442K438-K440 PolarHBondContact O-N 3.47Å; K440-T442 PolarHBondContact O-N 3.47Å
441F31.9Very low34.9Very low203 Ų203150.5 Ų150.589%0.8980%0.803SS**PPolyproline II helixtrans-59.8131.9172.8-102.4-107.6000110.2
442T35.1Very low34.1Very low138 Ų138150 Ų15085%0.84781%0.81SS**PPolyproline II helixtrans-92.7123.1172.3410000109.9K440K440-T442 PolarHBondContact O-N 3.47Å
443F27.8Very low33.7Very low208 Ų208154.2 Ų154.291%0.91282%0.823SS**PPolyproline II helixtrans-95.2136.8170.9-173.6-99.4000109.5
444G32.2Very low33.4Very low60 Ų60158.8 Ų158.862%0.61983%0.834SS**PPolyproline II helixtrans-95.3144.1-164.400000115.5
445W26.6Very low33.1Very low253 Ų253159.4 Ų159.496%0.95883%0.833SS**  trans-149.1142.1159-167.3-86.8000107.7
446G35.2Very low33Very low54 Ų54163.4 Ų163.456%0.55784%0.84SS**  cis169.426.2-2.300000112.4
447S34.7Very low33.3Very low127 Ų127165.4 Ų165.489%0.88884%0.843SS**  trans-91.5142.2-166.8-61.10000112.9
448K32.1Very low32.9Very low212 Ų212165.1 Ų165.192%0.92284%0.839SS**  trans-12495.2-153.3-174.6177.6-177.9176.80111.5
449G33.5Very low33Very low77 Ų77162.6 Ų162.679%0.79484%0.84SS**  trans-143.494.4-167.900000116.4
450K30.1Very low32.7Very low206 Ų206159 Ų15990%0.89684%0.836SS**  trans-34.9127.8176-56166.9-179.51760117.3
451K31.4Very low33Very low217 Ų217155.4 Ų155.494%0.94384%0.835SS**  -167.4162.2127.3-104.6163.8-173.1177.80110.4
452A29Very low33.1Very low92 Ų92149 Ų14976%0.7683%0.827SS**  trans-140.8176.3-162.600000113.8
453K33.4Very low33.1Very low211 Ų211149.9 Ų149.992%0.91783%0.826SS**  trans76134.3-169.1-50.9174.3-178.2179.80111
454K32.7Very low33.7Very low207 Ų207146.7 Ų146.790%0.982%0.823SS**  cis-143.9147.537.8-164.4174-173.3175.90112.2
455V31.4Very low33.8Very low121 Ų121151.6 Ų151.673%0.73384%0.835SS**  trans-89.6139.9178.6171.40000111.3
456K39.1Very low34.3Very low209 Ų209144.2 Ų144.291%0.90983%0.828SS**  trans-160.8160.3138.9-107171.8-176.1-169.40109.9
457L37.6Very low34.2Very low155 Ų155145.6 Ų145.681%0.81284%0.843SS**  trans-106.6160.2-153.1-74.5161.9000114.1
458P31.9Very low34.4Very low110 Ų110147.3 Ų147.371%0.71484%0.841SS**  trans-81.2167.1175.935.3-36.7000112.9
459T38.3Very low34.6Very low148 Ų148144.5 Ų144.591%0.90884%0.836SS**  trans-127.6143.2169.9-14.10000108.9
460V30.6Very low35.2Very low133 Ų133146.4 Ų146.481%0.80683%0.832SS**  trans-138.1127.6-169.5176.70000110.6
461S38Very low35.4Very low123 Ų123140.1 Ų140.186%0.8683%0.826SS**  trans172.6139.9159.448.90000108.5
462G33.7Very low35.5Very low69 Ų69133.1 Ų133.171%0.71182%0.816SS**  cis-170164-600000110.2
463D36.3Very low35.9Very low156 Ų156138 Ų13883%0.83482%0.82SS**  trans-86.7155-167.5-47.2-81000113.9
464V39.2Very low36.5Very low140 Ų140133.9 Ų133.985%0.84881%0.812SS**  trans-141.297.7168.1-179.90000109.3
465D34.9Very low36.7Very low163 Ų163131 Ų13187%0.87281%0.806SS**  trans-102.5121.8170.8-77.3-53.1000110.5
466A37.1Very low37.9Very low98 Ų98131.1 Ų131.181%0.8181%0.807SS**  trans-155.5107.6168.300000110.3
467G33.4Very low37.8Very low84 Ų84126.5 Ų126.587%0.86680%0.798SS**  trans-73.8-177.6-161.400000118.6
468L39.5Very low37.8Very low162 Ų162124.7 Ų124.785%0.84880%0.798SS**  trans-157.7111.9134.1-178.357.2000109V470L468-V470 HydrophobicContact CD1-CG2 4.26Å; L468-V470 HydrophobicContact CD2-CG2 4.35Å; L468-V470 HydrophobicContact CG-CG2 3.96Å
469D36Very low38.4Very low153 Ų153125.7 Ų125.782%0.81880%0.802SS**  trans-97.2131.6173.1-17514.7000109.6
470V46Very low38.1Very low118 Ų118126.9 Ų126.972%0.71580%0.795SS**  trans-138.899.6178.3-174.60000108.7L468L468-V470 HydrophobicContact CD1-CG2 4.26Å; L468-V470 HydrophobicContact CD2-CG2 4.35Å; L468-V470 HydrophobicContact CG-CG2 3.96Å
471G33.1Very low38.8Very low73 Ų73126 Ų12675%0.75379%0.789SS**  trans-66.9140.1-179.900000113.4
472G35.4Very low38.6Very low71 Ų71127.1 Ų127.173%0.73279%0.786SS**  trans-144.564.2178.200000112.3V474G472-V474 PolarHBondContact O-N 3.04Å
473K37Very low38.9Very low194 Ų194129.3 Ų129.384%0.84379%0.785SS**  trans-70.1126.6169.2-73.1-171.1177.7-174.50109.7
474V45.9Very low38.7Very low124 Ų124129.3 Ų129.375%0.75279%0.785SS**  trans-132.989.8170-1790000108G472 V476G472-V474 PolarHBondContact O-N 3.04Å; V474-V476 HydrophobicContact CG1-CG2 4.08Å
475D36.6Very low38.7Very low147 Ų147127.6 Ų127.679%0.78678%0.78SS**  trans-77.7126.2170.6-66.9-75.2000109.5
476V55.9Low38.4Very low124 Ų124123 Ų12375%0.75277%0.771SS**  trans-127.7125.4172.4-179.80000108.8V474V474-V476 HydrophobicContact CG1-CG2 4.08Å
477P38.4Very low38.2Very low112 Ų112125.4 Ų125.473%0.72777%0.77SS**  trans-78.5149.2-167.1-16.932.4000115.6V479P477-V479 PolarHBondContact O-N 3.07Å
478S37.3Very low38.5Very low116 Ų116133.4 Ų133.481%0.81177%0.774SS**  trans-12.1104.5160.1-51.80000117.7K480S478-K480 PolarHBondContact O-N 2.91Å
479V43Very low38.4Very low131 Ų131132.2 Ų132.279%0.79477%0.773SS**  trans-78.1113.5157.6-178.70000108.4P477 V481P477-V479 PolarHBondContact O-N 3.07Å; V479-V481 HydrophobicContact CG1-CG2 4.05Å
480K33.6Very low38.4Very low174 Ų174134.5 Ų134.576%0.75778%0.776SS**  trans-77.6135.6167.4-64.9-179.7179.7-179.40109.3S478S478-K480 PolarHBondContact O-N 2.91Å
481V45.5Very low37.9Very low113 Ų113132.5 Ų132.569%0.68578%0.779SS**  trans-131.783.3168.1-177.30000107.4V479 V483V479-V481 HydrophobicContact CG1-CG2 4.05Å; V481-V483 HydrophobicContact CG1-CG2 3.93Å; V481-V483 PolarHBondContact O-N 3.18Å
482D32.6Very low38.2Very low148 Ų148138.3 Ų138.379%0.79178%0.784SS**  trans-76105170.9-60.8-69.5000108.2
483V41Very low38.2Very low115 Ų115143 Ų14370%0.69778%0.784SS**  trans-112.4101169.7170.50000108V481V481-V483 HydrophobicContact CG1-CG2 3.93Å; V481-V483 PolarHBondContact O-N 3.18Å
484D32Very low38.2Very low156 Ų156143 Ų14383%0.83478%0.784SS**  trans-74.2130.4172.1-171.413000109.9
485S37.9Very low38.1Very low104 Ų104143.9 Ų143.973%0.72778%0.78SS**  trans-166.694.1179.2-78.80000108.8
486G29.6Very low38.3Very low67 Ų67146.4 Ų146.469%0.69178%0.778SS**  trans-77.3-169.6-172.300000116.3
487D33.7Very low37.5Very low148 Ų148145.7 Ų145.779%0.79178%0.779SS**  trans54.285.4165.8-69.8-15.4000119.2
488R39.7Very low37.5Very low252 Ų252144.2 Ų144.295%0.95177%0.769SS**  -153.389.6124.9-103.5139.7-157.9-131.82.2113K490R488-K490 PolarHBondContact O-N 2.77Å; R488-K490 VanDerWaalsContact O-N 3.13Å
489V35.8Very low37.7Very low136 Ų136145.4 Ų145.482%0.82477%0.767SS**  trans-68.5105.6168.9-177.90000110
490K35.8Very low37.7Very low202 Ų202145.5 Ų145.588%0.87876%0.761SS**  trans-124.7109.8154.9-86-171.1173.2-1790108.7R488 K492R488-K490 PolarHBondContact O-N 2.77Å; R488-K490 VanDerWaalsContact O-N 3.13Å; K490-K492 PolarHBondContact O-N 3.39Å
491G37.1Very low38.1Very low76 Ų76142.3 Ų142.378%0.78476%0.756SS**  trans-65.9128.2-161.900000114.3
492K38.2Very low38.3Very low195 Ų195143.7 Ų143.785%0.84876%0.759SS**  trans-94122.5152.5-73.1-173.2176.5-179.90108.1K490 F494K490-K492 PolarHBondContact O-N 3.39Å; K492-F494 PolarHBondContact O-N 2.84Å
493K36.8Very low39Very low169 Ų169142.1 Ų142.174%0.73576%0.757SS**  trans-67.897.7-165.3179.9171.3173.364.50111.6H495K493-H495 WeakPolarHBondContact CE-NE2 3.33Å; K493-H495 VanDerWaalsContact CG-CD2 3.48Å; K493-H495 WeakPolarHBondContact CG-CD2 3.47Å; K493-H495 PolarHBondContact NZ-NE2 2.89Å; K493-H495 PolarHBondContact O-N 3.2Å
494F36.7Very low39.4Very low195 Ų195146.3 Ų146.386%0.85577%0.766SS**  trans-65.792.5170.6-96-101.1000110.4K492K492-F494 PolarHBondContact O-N 2.84Å
495H43.5Very low39.7Very low142 Ų142146.2 Ų146.266%0.65777%0.765SS**  trans-103.589.1160.6-86.6-124.3000108.4K493K493-H495 WeakPolarHBondContact CE-NE2 3.33Å; K493-H495 VanDerWaalsContact CG-CD2 3.48Å; K493-H495 WeakPolarHBondContact CG-CD2 3.47Å; K493-H495 PolarHBondContact NZ-NE2 2.89Å; K493-H495 PolarHBondContact O-N 3.2Å
496W40.2Very low40.1Very low199 Ų199149.6 Ų149.675%0.75477%0.766SS**  trans-69.8133.616563.7-70.5000108.6P498W496-P498 HydrophobicContact CE3-CB 3.99Å; W496-P498 HydrophobicContact CE3-CG 3.95Å; W496-P498 HydrophobicContact CH2-CG 4.36Å; W496-P498 HydrophobicContact CZ3-CB 3.76Å; W496-P498 HydrophobicContact CZ3-CG 3.55Å
497S39.3Very low40.7Very low109 Ų109152.6 Ų152.676%0.76277%0.771SS**  trans-117.5110.3166.1-71.30000107.1N499S497-N499 PolarHBondContact O-N 2.86Å
498P38.8Very low40.9Very low82 Ų82153.4 Ų153.453%0.53277%0.77SS.*  trans-73.192.8-176.129.7-34000109.8W496 I500W496-P498 HydrophobicContact CE3-CB 3.99Å; W496-P498 HydrophobicContact CE3-CG 3.95Å; W496-P498 HydrophobicContact CH2-CG 4.36Å; W496-P498 HydrophobicContact CZ3-CB 3.76Å; W496-P498 HydrophobicContact CZ3-CG 3.55Å; P498-I500 HydrophobicContact CB-CG1 4.41Å; P498-I500 PolarHBondContact O-N 2.93Å
499N42Very low40.8Very low141 Ų141144.3 Ų144.375%0.75475%0.754SS**  trans-77.166.6179-164.610.6000111S497 T501S497-N499 PolarHBondContact O-N 2.86Å; N499-T501 PolarHBondContact O-N 2.61Å; N499-T501 PolarHBondContact O-OG1 3.44Å; N499-T501 PolarHBondContact OD1-OG1 3.32Å
500I43Very low41.1Very low132 Ų132143.5 Ų143.568%0.67775%0.752SS**  trans-65.285.3176.8-68.2177.1000108.3P498 L502P498-I500 HydrophobicContact CB-CG1 4.41Å; P498-I500 PolarHBondContact O-N 2.93Å; I500-L502 VanDerWaalsContact C-N 3.28Å; I500-L502 HydrophobicContact CG2-CD1 4.39Å; I500-L502 HydrophobicContact CG2-CG 3.98Å; I500-L502 PolarHBondContact O-N 3.28Å
501T42Very low41.3Very low107 Ų107141.4 Ų141.466%0.65675%0.75SS**  trans-84.275.1-177.4-54.20000108.2N499 P503N499-T501 PolarHBondContact O-N 2.61Å; N499-T501 PolarHBondContact O-OG1 3.44Å; N499-T501 PolarHBondContact OD1-OG1 3.32Å; T501-P503 VanDerWaalsContact O-CD 3.25Å; T501-P503 WeakPolarHBondContact O-CD 3.33Å; T501-P503 VanDerWaalsContact O-N 3.14Å
502L49.2Very low41.5Very low143 Ų143144.1 Ų144.175%0.74975%0.751SS**  trans-60.4114.6177.3-80165.7000109.7I500 K504I500-L502 VanDerWaalsContact C-N 3.28Å; I500-L502 HydrophobicContact CG2-CD1 4.39Å; I500-L502 HydrophobicContact CG2-CG 3.98Å; I500-L502 PolarHBondContact O-N 3.28Å; L502-K504 PolarHBondContact O-N 2.84Å
503P47.4Very low41.7Very low114 Ų114140.3 Ų140.374%0.7475%0.749SS**  trans-66.3133.2175.628.7-33.3000108.5T501 L505T501-P503 VanDerWaalsContact O-CD 3.25Å; T501-P503 WeakPolarHBondContact O-CD 3.33Å; T501-P503 VanDerWaalsContact O-N 3.14Å; P503-L505 PolarHBondContact O-N 3.16Å
504K47.9Very low41.6Very low203 Ų203135.4 Ų135.488%0.88375%0.747SS**  trans-62.8112.7179-75.6-178.3176.8176.70109.8L502 K506L502-K504 PolarHBondContact O-N 2.84Å; K504-K506 PolarHBondContact O-N 3.39Å; K504-K506 VanDerWaalsContact O-N 3.12Å
505L38.9Very low41.7Very low155 Ų155136.1 Ų136.181%0.81275%0.749SS**  trans-49.3113.2179.4-177.967.3000110.5P503 V507P503-L505 PolarHBondContact O-N 3.16Å; L505-V507 HydrophobicContact CD2-CG2 4.16Å; L505-V507 HydrophobicContact CG-CG2 4.21Å; L505-V507 PolarHBondContact O-N 3.07Å; L505-V507 VanDerWaalsContact O-N 3.14Å
506K46.4Very low41.5Very low175 Ų175136.6 Ų136.676%0.76176%0.756SS**  trans-79.191.6173-70.7-176.5178.9-179.60109.2K504 H508K504-K506 PolarHBondContact O-N 3.39Å; K504-K506 VanDerWaalsContact O-N 3.12Å; K506-H508 PolarHBondContact O-N 2.89Å
507V42.7Very low41.4Very low129 Ų129135.3 Ų135.378%0.78276%0.758SS**  trans-72.896164.2-177.60000107.8L505L505-V507 HydrophobicContact CD2-CG2 4.16Å; L505-V507 HydrophobicContact CG-CG2 4.21Å; L505-V507 PolarHBondContact O-N 3.07Å; L505-V507 VanDerWaalsContact O-N 3.14Å
508H37.8Very low41.6Very low166 Ų166134.2 Ų134.277%0.76976%0.755SS**  trans-84.5120.4164-90.7-89.7000108.8K506K506-H508 PolarHBondContact O-N 2.89Å
509G38Very low41.5Very low61 Ų61136.8 Ų136.863%0.62977%0.765SS**  trans-113.3146.815800000108.8
510P41.3Very low41.2Very low118 Ų118134.6 Ų134.677%0.76677%0.766SS**  trans-89.2154.5-163.6-6.926.7000114.1V512P510-V512 PolarHBondContact O-N 3.01Å
511D40.4Very low40.9Very low159 Ų159133.7 Ų133.785%0.8577%0.769SS**  trans-67.194.4164.9-69.8-64.9000110.6S513D511-S513 VanDerWaalsContact C-N 3.29Å; D511-S513 PolarHBondContact O-N 2.58Å; D511-S513 PolarHBondContact O-OG 2.78Å
512V42.1Very low40.5Very low133 Ų133136.2 Ų136.281%0.80678%0.779SS**  trans-71.486.4174.3-176.60000109.3P510 G514P510-V512 PolarHBondContact O-N 3.01Å; V512-G514 PolarHBondContact O-N 2.73Å
513S40.5Very low40.3Very low115 Ų115135.6 Ų135.680%0.80478%0.78SS**  trans-78.147.2-178.337.90000113D511 K515D511-S513 VanDerWaalsContact C-N 3.29Å; D511-S513 PolarHBondContact O-N 2.58Å; D511-S513 PolarHBondContact O-OG 2.78Å; S513-K515 PolarHBondContact O-N 3.43Å
514G36.6Very low39.6Very low66 Ų66137.1 Ų137.168%0.6878%0.782SS**  trans-76.385177.500000112.7V512 L516V512-G514 PolarHBondContact O-N 2.73Å; G514-L516 PolarHBondContact O-N 3.02Å; G514-L516 VanDerWaalsContact O-N 3.16Å
515K38.5Very low39.7Very low209 Ų209133.7 Ų133.791%0.90978%0.778SS**  trans-71.8101.8167.4-72.6-174.9178.8-178.30110S513S513-K515 PolarHBondContact O-N 3.43Å
516L38.4Very low39.5Very low152 Ų152132.2 Ų132.280%0.79677%0.771SS**  trans-128.676.7166.4-169.263.6000110.6G514 A518G514-L516 PolarHBondContact O-N 3.02Å; G514-L516 VanDerWaalsContact O-N 3.16Å; L516-A518 HydrophobicContact CD1-CB 4.22Å
517H38Very low39.2Very low172 Ų172130 Ų13080%0.79677%0.772SS**  trans-83.4116.8150.4-85.9-95.9000107
518A44.1Very low38.8Very low86 Ų86129.7 Ų129.771%0.71177%0.77SS**  trans-138.997.9168.300000106.1L516L516-A518 HydrophobicContact CD1-CB 4.22Å
519D36.4Very low38.6Very low136 Ų136125.3 Ų125.373%0.72777%0.77SS**  trans-85.3155.4-172-60.4-82.8000112.5
520A35.2Very low38.5Very low96 Ų96128.2 Ų128.279%0.79378%0.778SS**  trans68.9167.4162.400000117.4
521P37.5Very low38.4Very low112 Ų112128 Ų12873%0.72778%0.779SS**  cis-120.3170.2-4.839.6-26.2000115
522D32.7Very low38.1Very low161 Ų161126.4 Ų126.486%0.86178%0.775SS**  trans-63.5144.8172.6-57.6-88.6000113.4
523V45.4Very low38.2Very low129 Ų129129.6 Ų129.678%0.78278%0.778SS**  trans-123.698.8166178.20000109.2V525V523-V525 HydrophobicContact CG1-CG2 4.08Å
524N33.8Very low37.8Very low147 Ų147130.1 Ų130.179%0.78678%0.776SS**  trans-86.8115175.1173.913.1000110.1
525V49.5Very low37.8Very low130 Ų130131.9 Ų131.979%0.78878%0.775SS**  trans-118.997.8170.5-176.90000110V523V523-V525 HydrophobicContact CG1-CG2 4.08Å
526N34.7Very low37.5Very low125 Ų125126.8 Ų126.867%0.66877%0.766SS**  trans-88.1138.4163.2172.725.7000109.2
527V39.7Very low37.1Very low129 Ų129125.6 Ų125.678%0.78277%0.765SS**  trans-177.1115.3139142.80000111.9
528T33.5Very low37.3Very low122 Ų122126.7 Ų126.775%0.74877%0.767SS**  trans16.5134.1138.3-45.30000121.2
529G34Very low36.8Very low73 Ų73127.4 Ų127.475%0.75377%0.773SS**  trans167.963.3152.800000120
530P35.8Very low37Very low123 Ų123127 Ų12780%0.79978%0.781SS**  trans-83.5129.7167.333.4-30.8000111.6
531S40.7Very low36.9Very low114 Ų114126.2 Ų126.280%0.79778%0.782SS**  trans-130.3124.3172.3-1670000110.7
532V34Very low36.9Very low124 Ų124129.2 Ų129.275%0.75279%0.786SS**  trans-108.9134.9-180-179.50000108.7V534V532-V534 HydrophobicContact CG1-CG2 4.12Å
533K42.9Very low37.2Very low201 Ų201129.6 Ų129.687%0.87479%0.787SS**  trans-118142.5166.6-75.4-173.2174.9-178.90110.1
534V33.1Very low36.8Very low125 Ų125128.2 Ų128.276%0.75878%0.781SS**  trans-121.5-164.1-167.8-145.60000108.5V532V532-V534 HydrophobicContact CG1-CG2 4.12Å
535P35.9Very low37Very low104 Ų104128.1 Ų128.168%0.67579%0.786SS**  -121.1177.6-112.142.2-27.7000117.1
536S32.5Very low36.5Very low102 Ų102128.3 Ų128.371%0.71379%0.787SS**  trans81.3162.4136.368.80000123.4
537V29.8Very low36.6Very low127 Ų127130 Ų13077%0.7780%0.796SS**  trans94.1142.4161.1-1650000118.3
538K42.5Very low36.6Very low195 Ų195129.3 Ų129.385%0.84879%0.792SS**  trans83.6107.2-175.1-54.5179.4-175.6179.60113.6
539A32.7Very low36.8Very low101 Ų101128.9 Ų128.984%0.83579%0.794SS**  cis77.891.916.500000116.2
540S41Very low36.9Very low127 Ų127132 Ų13289%0.88880%0.798SS**  trans-161.3117.2161.1550000108.7
541G33Very low36.8Very low80 Ų80131.5 Ų131.583%0.82580%0.795SS**  trans-114.1145.9174.300000110.7
542H38.7Very low36.5Very low174 Ų174133.4 Ų133.481%0.80680%0.796SS**  trans-146.2122.2169.3-160.453000109.4
543L38.8Very low36.7Very low170 Ų170132.4 Ų132.489%0.8980%0.801SS**  trans-125.9128.6173.7-70.6172.4000107.4
544P37.2Very low36.5Very low100 Ų100128.4 Ų128.465%0.64980%0.798SS**  trans-129.7118.9149.730.6-15.7000110.7
545T36.6Very low36.8Very low144 Ų144130.9 Ų130.988%0.88381%0.806SS**  trans-75.4151.2161.231.40000110.2
546V38.9Very low36.6Very low135 Ų135130.1 Ų130.182%0.81882%0.817SS**  trans-130.7133.1170.21780000107.4V548V546-V548 HydrophobicContact CG1-CG2 4.28Å
547D37.4Very low36.6Very low159 Ų159128.9 Ų128.985%0.8582%0.82SS**  trans-146.7116.2-171.2177.123.7000108.7
548V39.5Very low37Very low116 Ų116129.7 Ų129.770%0.70382%0.821SS**  trans-155.8139.4-176.2-1610000112.8V546V546-V548 HydrophobicContact CG1-CG2 4.28Å
549S37.7Very low36.6Very low112 Ų112129.3 Ų129.378%0.78383%0.827SS**  trans75.5123.6154.5480000121.9
550V36.3Very low37.1Very low139 Ų139129.5 Ų129.584%0.84282%0.822SS**  trans-154140.4176.5170.90000103.8
551P34.4Very low36.8Very low113 Ų113126.9 Ų126.973%0.73482%0.815SS**  cis-141.2-16547.244.2-25.3000115.8
552D33.5Very low36.8Very low154 Ų154132 Ų13282%0.82481%0.814SS**  trans-58.1153.2166.8-60.4-87.6000114.8
553A39.4Very low36.6Very low102 Ų102129.5 Ų129.584%0.84381%0.807SS**  trans-145.4119.9163.300000110.6
554S38.5Very low36.7Very low117 Ų117128.9 Ų128.982%0.81880%0.804SS**  trans-89.5129.4-172.3-42.90000112.8
555L39Very low36.5Very low177 Ų177129.3 Ų129.393%0.92780%0.8SS**  trans-156.187.5171.8-142.6107.1000114.5
556G31.5Very low36.3Very low88 Ų88131.1 Ų131.191%0.90780%0.799SS**  trans73.515817100000116.2
557G31.7Very low36Very low76 Ų76128.1 Ų128.178%0.78480%0.795SS**  cis165.8143.6-6.200000110.6
558D39Very low35.7Very low145 Ų145127.4 Ų127.478%0.77580%0.796SS**  trans21.9117.5175.1-64.9-24.3000119.1
559L34.5Very low35.4Very low187 Ų187124.9 Ų124.998%0.97979%0.794SS**  cis5436.737.5-67.6-178.3000116.1
560S42.4Very low35.5Very low104 Ų104126.8 Ų126.873%0.72780%0.8SS**  trans-108.5127162.8590000112.3
561G35.4Very low35.5Very low72 Ų72123.6 Ų123.674%0.74280%0.796SS**  trans74.771.8171.700000116
562K32.1Very low35.8Very low187 Ų187125.4 Ų125.481%0.81381%0.805SS**  55116.789.2-71.3-169.1173.8-176.40116.5
563L34.7Very low35.8Very low123 Ų123123.7 Ų123.764%0.64480%0.799SS**  41.7126.5130-72.829.8000117.8L565L563-L565 HydrophobicContact CB-CD1 4.4Å; L563-L565 HydrophobicContact CB-CG 4.1Å; L563-L565 HydrophobicContact CD1-CD2 3.64Å; L563-L565 HydrophobicContact CD1-CG 3.91Å; L563-L565 HydrophobicContact CG-CD1 3.91Å; L563-L565 HydrophobicContact CG-CD2 3.84Å; L563-L565 HydrophobicContact CG-CG 3.63Å
564D41.4Very low35.5Very low157 Ų157126.1 Ų126.184%0.8480%0.798SS**SBendcis-90.1118.116.9-56.1-54.6000113.3
565L32Very low35.4Very low108 Ų108125 Ų12557%0.56580%0.796SS**  68108.370-65.4173000114.4L563L563-L565 HydrophobicContact CB-CD1 4.4Å; L563-L565 HydrophobicContact CB-CG 4.1Å; L563-L565 HydrophobicContact CD1-CD2 3.64Å; L563-L565 HydrophobicContact CD1-CG 3.91Å; L563-L565 HydrophobicContact CG-CD1 3.91Å; L563-L565 HydrophobicContact CG-CD2 3.84Å; L563-L565 HydrophobicContact CG-CG 3.63Å
566E32.8Very low35.3Very low182 Ų182123.5 Ų123.585%0.8579%0.789SS**  cis-147.5153.7-15.3-68.9-172.214300107.7
567G33.2Very low35.4Very low72 Ų72126 Ų12674%0.74278%0.78SS**  trans108.360.1158.300000120.5
568V31.6Very low36.1Very low144 Ų144129.6 Ų129.687%0.87378%0.782SS**  trans57.7106.3140.1-172.40000120
569G32.5Very low36.3Very low64 Ų64130.7 Ų130.766%0.6679%0.787SS**  trans-85.3149.4136.800000109.5
570V38.8Very low36.5Very low151 Ų151126.8 Ų126.892%0.91577%0.773SS**  59.69760.8-172.40000112.4
571G36.2Very low36.5Very low73 Ų73128.8 Ų128.875%0.75378%0.775SS**  trans-150157.5173.700000110.9
572V40.8Very low36.3Very low151 Ų151131.3 Ų131.392%0.91577%0.771SS**  trans-133156-174.6-1770000109.5
573V33.4Very low36.8Very low117 Ų117129.9 Ų129.971%0.70977%0.767SS**  trans-102.4144.6-157.2173.10000113.6
574D34.2Very low36.8Very low154 Ų154131.7 Ų131.782%0.82478%0.776SS**  trans44.9122.5161.4-57.9-14.9000122.1
575A36.4Very low36.8Very low94 Ų94130 Ų13078%0.77778%0.776SS**  -169.2150.6106.800000113.9
576D37.6Very low36.8Very low144 Ų144128.3 Ų128.377%0.7779%0.786SS**  trans65.897.8155.8-67.3-8.8000124.9
577L33.2Very low36.7Very low140 Ų140127 Ų12773%0.73378%0.784SS**  77.1132.6118.7-61.8176.3000123.8
578N44.9Very low37.2Very low152 Ų152130 Ų13081%0.81379%0.788SS**  trans104.6118.7150.8-54.6-57000119.8
579L45.2Very low37.4Very low169 Ų169127.7 Ų127.789%0.88578%0.778SS**  trans-99.4176.7161.4-63.6173.1000108.1
580P37.1Very low37.2Very low105 Ų105128.9 Ų128.968%0.68278%0.782SS**  cis-142.8-155.918.343.3-21000116.2
581D42.1Very low37Very low145 Ų145127.3 Ų127.378%0.77578%0.775SS**  trans83148.8166.6-60.2-18.9000120
582L32.5Very low36.6Very low125 Ų125128.9 Ų128.965%0.65477%0.774SS**  cis-171.3152.8-34.1-177.155.5000109.6
583Q42.7Very low36.6Very low158 Ų158128.4 Ų128.474%0.73877%0.771SS**  trans67.1130.1174.1-74.8150.87600116.3
584I34.1Very low36.4Very low160 Ų160131.9 Ų131.982%0.82178%0.78SS**  cis105.999.116.5-60.9168.1000115
585S40.7Very low36.4Very low121 Ų121128.2 Ų128.285%0.84678%0.779SS**  trans-169.2144.7150.460.40000108.6
586G33.2Very low36.3Very low74 Ų74131 Ų13176%0.76378%0.78SS**  cis172.452.3400000114.6
587N31.5Very low36.2Very low153 Ų153131.8 Ų131.882%0.81878%0.784SS**  trans32115.2150.5-177.833.5000121.1
588V43Very low36.5Very low136 Ų136130.8 Ų130.882%0.82479%0.788SS**  trans-142.4142.6150.3-173.20000110.5
589S35.2Very low35.8Very low96 Ų96131.7 Ų131.767%0.67179%0.79SS**  trans-67.9155.5175.454.50000113.1
590A27.8Very low35.5Very low88 Ų88129.4 Ų129.473%0.72779%0.785SS**  cis65.714743.600000114.3
591P34.7Very low35.4Very low119 Ų119131.2 Ų131.277%0.77379%0.789SS**  cis-133.6175.8-18.940.9-24.6000115.2
592S28.9Very low35.2Very low105 Ų105130.2 Ų130.273%0.73479%0.788SS**  trans39.6115.3144.3-165.50000122.2
593V39.5Very low35.2Very low142 Ų142129.1 Ų129.186%0.86179%0.791SS**  trans-141130.5143172.10000108.6
594E29.8Very low35.1Very low189 Ų189125.8 Ų125.888%0.88379%0.79SS**  trans-84.3135.9165.2-68.5165.8112.900109.2
595G35.1Very low35.2Very low78 Ų78125.2 Ų125.280%0.80479%0.789SS**  trans-152.295.2-179.400000110.1
596D33.8Very low35.1Very low152 Ų152127.8 Ų127.881%0.81379%0.792SS**  trans-81.3166.6-171-151.7-5.7000113.1
597L35.1Very low35.3Very low161 Ų161130.2 Ų130.284%0.84379%0.788SS**  trans-54.7128-167.6-63161.1000114.8
598S39.2Very low35.6Very low118 Ų118128.7 Ų128.783%0.82578%0.784SS**  trans-152.3103.5157.1-81.80000112.9
599M31Very low35.3Very low172 Ų172127.2 Ų127.285%0.84777%0.771SS**  trans17.7117.3152.1-59.4172.3-17700120.1
600P39.2Very low35.2Very low120 Ų120128.7 Ų128.778%0.77978%0.776SS**  trans-94111.4139.17.712.1000109.7V602P600-V602 PolarHBondContact O-N 2.82Å
601D33.8Very low35.8Very low143 Ų143132.4 Ų132.477%0.76578%0.776SS**  trans-69.7114.1166.2-88.2-52000110.2
602V39.2Very low35.8Very low125 Ų125134.6 Ų134.676%0.75878%0.78SS**  trans-133.173.5165.8-172.10000109.3P600 A604P600-V602 PolarHBondContact O-N 2.82Å; V602-A604 PolarHBondContact O-N 3.11Å
603S32.6Very low36Very low102 Ų102134.9 Ų134.971%0.71378%0.78SS**  trans-78.289.9169.143.30000110.5
604A39.2Very low35.6Very low87 Ų87133.8 Ų133.872%0.71978%0.778SS**  trans-110.883.5171.300000109.8V602 L606V602-A604 PolarHBondContact O-N 3.11Å; A604-L606 PolarHBondContact O-N 3.03Å
605N37.1Very low35.7Very low149 Ų149131.3 Ų131.380%0.79778%0.776SS**  trans-67.4121.2-179.8-67.5-33.1000111.2
606L39Very low35.6Very low175 Ų175135.8 Ų135.892%0.91678%0.775SS**  trans-124.9105.3146.1-175.660.3000107A604A604-L606 PolarHBondContact O-N 3.03Å
607D37.7Very low35.7Very low125 Ų125137.2 Ų137.267%0.66878%0.782SS**  trans-75.8165.3-169.7-142.2-43.7000112.3
608T37.1Very low35.7Very low120 Ų120136 Ų13674%0.73678%0.781SS**  trans-0.3135.2163.341.10000118.4
609D36Very low35.3Very low105 Ų105133.4 Ų133.456%0.56177%0.774SS**  -162.1146.553.3-177.323.6000113.8K611D609-K611 PolarHBondContact O-N 2.92Å; D609-K611 IonicContact OD2-NZ 2.73Å; D609-K611 PolarHBondContact OD2-NZ 3.47Å
610V34.5Very low35.6Very low128 Ų128131.2 Ų131.278%0.77677%0.773SS**  trans-92.985.4179.2-177.30000110.4
611K38.7Very low35.4Very low165 Ų165130.4 Ų130.472%0.71776%0.762SS**  trans-104.6105.1164.3-72.8-169176.474.80111.2D609 P613D609-K611 PolarHBondContact O-N 2.92Å; D609-K611 IonicContact OD2-NZ 2.73Å; D609-K611 PolarHBondContact OD2-NZ 3.47Å; K611-P613 VanDerWaalsContact O-CD 3.23Å; K611-P613 WeakPolarHBondContact O-CD 3.49Å
612L35Very low35.7Very low166 Ų166132 Ų13287%0.86977%0.769SS**  trans-70.3129.3166.6-65.4168.1000110.3
613P33.3Very low35.5Very low111 Ų111135.3 Ų135.372%0.72177%0.768SS**  trans-135.5154.7138.738.3-28.8000114.1K611K611-P613 VanDerWaalsContact O-CD 3.23Å; K611-P613 WeakPolarHBondContact O-CD 3.49Å
614S32.5Very low36Very low118 Ų118137.3 Ų137.383%0.82578%0.776SS**  trans65.698.1157.7-58.30000119.2
615V31.6Very low35.9Very low138 Ų138141.8 Ų141.884%0.83678%0.781SS**  trans-58158.9154.1-176.80000110.7
616Q32.8Very low36.2Very low171 Ų171138.1 Ų138.180%0.79978%0.779SS**  trans87.968.7174.9-50.6-165.413.800117.1
617L35.9Very low36.3Very low182 Ų182139 Ų13995%0.95378%0.778SS**  trans-83.5115.9143.6-77.7170.4000108.7
618T34.6Very low35.9Very low135 Ų135140.8 Ų140.883%0.82879%0.785SS**  trans-119.2114170.1-600000108.7
619G30.7Very low36Very low65 Ų65139.7 Ų139.767%0.6778%0.779SS**  trans144.3165.7-175.100000110.8
620P36.3Very low36.1Very low126 Ų126142 Ų14282%0.81879%0.791SS**  cis-108.7-178.510.140.7-33.7000114.4
621D35.5Very low36.2Very low102 Ų102140.8 Ų140.855%0.54578%0.784SS.*  trans-47.2146.1171.8-58.3-124.3000115.3R623D621-R623 HydrophobicContact CB-CG 4.42Å; D621-R623 IonicContact OD1-CZ 3.19Å; D621-R623 IonicContact OD1-NE 2.78Å; D621-R623 PolarHBondContact OD1-NE 2.86Å; D621-R623 IonicContact OD1-NH2 2.77Å; D621-R623 PolarHBondContact OD1-NH2 3.4Å
622L39.5Very low36.2Very low177 Ų177140.1 Ų140.193%0.92779%0.788SS**  trans-138.7131.2131.1-148.676.9000110
623R35.4Very low36.1Very low195 Ų195138 Ų13874%0.73678%0.782SS**  trans-109.7135.5-169-55.9175.5-171.3170.22.7110.8D621D621-R623 HydrophobicContact CB-CG 4.42Å; D621-R623 IonicContact OD1-CZ 3.19Å; D621-R623 IonicContact OD1-NE 2.78Å; D621-R623 PolarHBondContact OD1-NE 2.86Å; D621-R623 IonicContact OD1-NH2 2.77Å; D621-R623 PolarHBondContact OD1-NH2 3.4Å
624V44Very low36.3Very low143 Ų143140 Ų14087%0.86779%0.787SS**  trans-130129.7160.8-179.40000107.6
625H37.1Very low36.6Very low181 Ų181139.1 Ų139.184%0.83879%0.787SS**  trans-79.6138.8-175.2-102.5-104.5000112.5
626G43.7Very low37.1Very low72 Ų72142 Ų14274%0.74279%0.788SS**  trans-167.3132165.800000107.5
627E39.5Very low37.4Very low195 Ų195140.3 Ų140.391%0.91179%0.789SS**  trans-84.9139.1-160.8-64.4179127.400114.4
628M31Very low38Very low162 Ų162138.1 Ų138.180%0.79878%0.778SS**  trans-71.4176.2159.2-102.9172.356.800110.8
629P38Very low38.3Very low96 Ų96137.2 Ų137.262%0.62377%0.773SS**  cis-116.6-172.2-5.141.8-26.7000111
630D39.1Very low38.9Very low153 Ų153139.3 Ų139.382%0.81877%0.774SS**  cis-144.7175.526.5-120.7-36.4000113.6
631V36.2Very low38.8Very low104 Ų104142.5 Ų142.563%0.6378%0.775SS**  trans-115.5-178.2-153.2-178.70000113.8
632D37.7Very low38.6Very low150 Ų150143.5 Ų143.580%0.80279%0.787SS**  trans74.195.1-177.3-60-19.9000114.6
633V34.3Very low38.3Very low122 Ų122142.6 Ų142.674%0.73978%0.778SS**  cis67.695.831.8-1670000114.6
634D37.3Very low38.7Very low153 Ų153140.8 Ų140.882%0.81878%0.781SS**  -177.8114.5129.3-118.3-24000113.4
635A38.2Very low38.3Very low99 Ų99138.3 Ų138.382%0.81877%0.77SS**  trans176.7115.1151.100000110.9
636K41.4Very low38.7Very low198 Ų198137.3 Ų137.386%0.86177%0.769SS**PPolyproline II helixtrans-77.4135-176.4-69161.9-178.6165.30112.6
637V39.4Very low38.3Very low136 Ų136143.4 Ų143.482%0.82478%0.775SS**PPolyproline II helixtrans-94125.9158.21760000107.7V639V637-V639 HydrophobicContact CG1-CG2 4.27Å
638D48.3Very low38Very low137 Ų137138.7 Ų138.773%0.73377%0.77SS**PPolyproline II helixtrans-102.1121.8-174.2-166.65.4000111.5P640D638-P640 WeakPolarHBondContact OD1-CD 3.35Å
639V42.4Very low38.1Very low116 Ų116136.9 Ų136.970%0.70377%0.77SS**  trans-145.490178.1-174.50000111.8V637V637-V639 HydrophobicContact CG1-CG2 4.27Å
640P41.8Very low38.1Very low108 Ų108142.2 Ų142.270%0.70178%0.784SS**  trans-96.9134.9165.6-5.626.9000111.5D638D638-P640 WeakPolarHBondContact OD1-CD 3.35Å
641K34.8Very low37.7Very low194 Ų194145.2 Ų145.284%0.84379%0.79SS**  trans-92.8165.1176-88.9176.3-179.9173.20111.9
642P31.9Very low37.7Very low122 Ų122144 Ų14479%0.79280%0.799SS**  trans-94176.8-158.537.6-38.6000115.5
643H32.6Very low37.4Very low159 Ų159146.7 Ų146.774%0.73680%0.803SS**  trans84.6103.7153.4-157.189.1000118.3
644I43.3Very low37.8Very low156 Ų156144.7 Ų144.780%0.881%0.808SS**  trans-132.4130.4157.9-62.1179.5000108I646I644-I646 HydrophobicContact CG2-CD1 4.19Å; I644-I646 HydrophobicContact CG2-CG1 4.13Å
645S35.9Very low37.6Very low92 Ų92145.4 Ų145.464%0.64381%0.81SS**  trans-134121.8172.968.50000110.4
646I46.1Very low37.4Very low160 Ų160143.5 Ų143.582%0.82180%0.8SS**  trans-130.7140.9178.8-60-179.9000109I644I644-I646 HydrophobicContact CG2-CD1 4.19Å; I644-I646 HydrophobicContact CG2-CG1 4.13Å
647K35.4Very low37.2Very low199 Ų199143.7 Ų143.787%0.86580%0.801SS**  trans-115.7149.9-171.6-73.5178.1177.9171.80113.1
648A33.1Very low37Very low96 Ų96146.3 Ų146.379%0.79380%0.802SS**  trans72.4136.4153.200000119.4
649P32.6Very low36.1Very low124 Ų124149.2 Ų149.281%0.80581%0.808SS**  trans-98.5164178.238.8-35.5000113.9
650K38.3Very low35.6Very low209 Ų209150 Ų15091%0.90981%0.813SS**  trans-139.7160.6161.2-91-16817369.50112.5
651F29.9Very low35.2Very low215 Ų215153.7 Ų153.794%0.94382%0.818SS**  trans-64.5155.8-171.1-93.8-126.4000115.5
652G37.9Very low35Very low80 Ų80150.4 Ų150.483%0.82581%0.814SS**  trans-176.2110.2159.900000112.1
653F30.8Very low35.3Very low205 Ų205152 Ų15290%0.89981%0.808SS**  trans-124.2112.7178.5-164.3-90.9000108.9
654G42.6Very low35.6Very low80 Ų80151.1 Ų151.183%0.82581%0.814SS**  trans-133.4137.5-173.200000112.3
655L32.1Very low35.3Very low168 Ų168149.7 Ų149.788%0.8882%0.815SS**  trans-124.2120.3-165.7-17967.7000113.7
656G34.4Very low35.1Very low59 Ų59153.5 Ų153.561%0.60882%0.82SS**  trans99.9146.7140.900000119.3
657K37.8Very low34.6Very low202 Ų202150.7 Ų150.788%0.87882%0.821SS**  trans-178.6141.8133.1-94.1151-170.8177.10111.9
658K34.8Very low34.6Very low191 Ų191146.9 Ų146.983%0.8381%0.81SS**  trans21.7120.9152.2-53.6178.3-178.3-178.70118.5
659K29Very low35.1Very low199 Ų199149.4 Ų149.487%0.86582%0.815SS**  54.1126.374.7-70.4-168.4175.5-172.70115.3
660T32.9Very low35.3Very low131 Ų131151.1 Ų151.180%0.80481%0.81SS**  159.8141.3121-66.40000115.7
661K32.1Very low35.2Very low186 Ų186147.8 Ų147.881%0.80981%0.807SS**  trans61.3116.3159.4-85.8-169.3172.1-176.10125.1
662V32.2Very low35.2Very low125 Ų125143.9 Ų143.976%0.75879%0.791SS**  61.4119.4113.5175.10000121.9
663K38.3Very low34.6Very low157 Ų157143.9 Ų143.968%0.68379%0.792SS**  -169.5131.3112.1-100.3-174-177.7-176.10110.7L1208K663-L1208 PolarHBondContact NZ-O 3.13Å
664T37.7Very low34.3Very low140 Ų140137.7 Ų137.786%0.85979%0.785SS**  trans-149101.7170.646.90000111.6
665P38.2Very low33.7Very low125 Ų125139.4 Ų139.481%0.81279%0.792SS**  trans-95.3130.5162.233-25.9000110.6
666K30.3Very low33.5Very low172 Ų172134.9 Ų134.975%0.74879%0.786SS**  trans-72.1149.2178.1-66.3154.4139.8-119.40111.6D668K666-D668 WeakPolarHBondContact CD-OD2 3.29Å; K666-D668 IonicContact NZ-OD1 2.59Å; K666-D668 IonicContact NZ-OD2 3.94Å; K666-D668 PolarHBondContact NZ-OD2 3.28Å
667A37Very low33.4Very low101 Ų101141.3 Ų141.384%0.83580%0.8SS**  trans-123.687.8150.800000107.3V669A667-V669 PolarHBondContact O-N 2.91Å
668D35.6Very low32.9Very low120 Ų120140.6 Ų140.664%0.64280%0.8SS**  trans-79115.5179.3-73.7-55000109.7K666K666-D668 WeakPolarHBondContact CD-OD2 3.29Å; K666-D668 IonicContact NZ-OD1 2.59Å; K666-D668 IonicContact NZ-OD2 3.94Å; K666-D668 PolarHBondContact NZ-OD2 3.28Å
669V43.7Very low32.9Very low148 Ų148138.3 Ų138.390%0.89780%0.795SS**  trans-124.7114.3164.5178.10000108A667A667-V669 PolarHBondContact O-N 2.91Å
670K36.5Very low33.1Very low161 Ų161133.8 Ų133.870%0.778%0.781SS**  trans-132.4109.2-171.9-172.5-144.8-171.7-158.90111.3E672K670-E672 HydrophobicContact CD-CG 4.31Å; K670-E672 WeakPolarHBondContact CE-OE1 3.25Å; K670-E672 HydrophobicContact CG-CG 4.41Å; K670-E672 IonicContact NZ-OE1 3.27Å; K670-E672 PolarHBondContact NZ-OE1 3.07Å
671V36.2Very low33.2Very low139 Ų139130.8 Ų130.884%0.84276%0.759SS**  trans-145.6114.3161.4-178.80000105.2
672E28.7Very low33.3Very low132 Ų132128 Ų12862%0.61775%0.753SS**  cis82.4107.244.1-66.6-78.7-166.200114.5K670K670-E672 HydrophobicContact CD-CG 4.31Å; K670-E672 WeakPolarHBondContact CE-OE1 3.25Å; K670-E672 HydrophobicContact CG-CG 4.41Å; K670-E672 IonicContact NZ-OE1 3.27Å; K670-E672 PolarHBondContact NZ-OE1 3.07Å
673G25.4Very low33.7Very low81 Ų81126.1 Ų126.184%0.83575%0.75SS**  trans76.2148169.300000116.6
674G25.5Very low33.3Very low74 Ų74121.6 Ų121.676%0.76375%0.748SS**  cis160.4158.7-6.500000112.8
675A29.7Very low33.1Very low117 Ų117121.4 Ų121.497%0.96774%0.741SS**  trans65.7138.2177.600000117.5
676G28.5Very low32.9Very low73 Ų73122 Ų12275%0.75374%0.737SS**  trans141.890170.600000115.2
677E32Very low33.5Very low193 Ų193118.5 Ų118.590%0.90274%0.741SS**  trans53.2107.6155.8-60.1-176.3126.500119.9
678E27Very low33.3Very low187 Ų187120.7 Ų120.787%0.87473%0.734SS**  trans-70.4147.1149.4-56.5172.4118.200110.3
679I34.6Very low33.2Very low143 Ų143121.5 Ų121.573%0.73374%0.737SS**  trans170.6137.8152.8-95.9152.2000108.1
680D32.9Very low32.8Very low105 Ų105121.8 Ų121.856%0.56173%0.734SS**  cis-167.1172.2-18.6-171.411.1000107.8
681L35.8Very low32.6Very low67 Ų67116.1 Ų116.135%0.35172%0.722SS.*  trans75.595.1159-51.3177.1000120.4N145 L146N145-L681 HydrophobicContact CB-CD1 3.74Å; N145-L681 HydrophobicContact CB-CD2 4.2Å; N145-L681 HydrophobicContact CB-CG 4.43Å; L146-L681 HydrophobicContact CB-CD1 4.09Å; L146-L681 HydrophobicContact CD1-CD1 3.56Å; L146-L681 HydrophobicContact CG-CD1 4.41Å
682D33.8Very low32.3Very low129 Ų129119.4 Ų119.469%0.6972%0.724SS**  trans-42.4143.3143.5-1779.2000113.6N145 G684N145-D682 PolarHBondContact ND2-O 3.31Å; D682-G684 PolarHBondContact OD1-N 3.21Å
683A39.4Very low32.6Very low84 Ų84119.1 Ų119.169%0.69473%0.732SS**  trans-154.147178.200000113.3
684G30.1Very low33.1Very low62 Ų62126.1 Ų126.164%0.63973%0.733SS**  trans-82.3124.316900000113.9D682D682-G684 PolarHBondContact OD1-N 3.21Å
685L35Very low33.6Very low137 Ų137132 Ų13272%0.71774%0.738SS**  trans-152.2103.4144.6-171.655.1000112.2
686D33.1Very low33.6Very low136 Ų136130.3 Ų130.373%0.72773%0.731SS**  trans-78.4150.4168-172.63000110.7H688D686-H688 PolarHBondContact OD1-N 3.45Å
687A42.7Very low33.9Very low100 Ų100130 Ų13083%0.82673%0.728SS**  trans-151.231.3178.900000113.3
688H32.7Very low34.1Very low146 Ų146130.2 Ų130.268%0.67673%0.726SS**  trans-85.4124.8177.7-166.9-118.4000113.1D686D686-H688 PolarHBondContact OD1-N 3.45Å
689L33.7Very low34.6Very low137 Ų137129 Ų12972%0.71772%0.718SS**  trans57.1139.1166-65.8179.8000117.4
690D35.6Very low34.9Very low154 Ų154130 Ų13082%0.82472%0.717SS**  -144.8152.967.3-175.636.4000115.4
691G32Very low35.3Very low43 Ų43132.6 Ų132.644%0.44373%0.726SS.*  trans-104.3108.1-174.600000114.4T693G691-T693 PolarHBondContact O-N 2.95Å
692K29.6Very low35.3Very low208 Ų208139.8 Ų139.890%0.90475%0.748SS**  trans16.673.3147-61.8171.1-177.1159.50117.1R694K692-R694 PolarHBondContact O-N 3.44Å
693T34.6Very low35.5Very low125 Ų125138.8 Ų138.877%0.76775%0.752SS**  trans-85.8103.2166.6-66.70000110.9G691G691-T693 PolarHBondContact O-N 2.95Å
694R36.2Very low35.3Very low228 Ų228139.4 Ų139.486%0.8675%0.749SS**  trans-117.8152.9169.6-75.8-171.8179.4-177.91.3110.4K692K692-R694 PolarHBondContact O-N 3.44Å
695K35.8Very low35.7Very low199 Ų199146.3 Ų146.387%0.86576%0.761SS**  trans70136.5176.5-46.7177.4-176.5179.20113.1
696G29.9Very low35.8Very low80 Ų80149.4 Ų149.483%0.82577%0.769SS**  cis88.293.7-10.400000116
697G35.1Very low36.1Very low68 Ų68146.3 Ų146.370%0.70177%0.769SS**  trans139.9110144.100000118.4
698K36.4Very low36.6Very low197 Ų197148.5 Ų148.586%0.85777%0.766SS**  trans73.6154.2149.7-53.7171-172.2178.40117.1
699K38.5Very low36.8Very low161 Ų161147.6 Ų147.670%0.777%0.773SS**  cis175.9107.4-35.4-120.4-169.8174.7-166.90107.9
700F40.4Very low36.9Very low164 Ų164151.4 Ų151.472%0.71978%0.784SS**  trans-106.4147.4164.3-98.3-103000112.1E1319F700-E1319 HydrophobicContact CD2-CG 4.23Å; F700-E1319 WeakPolarHBondContact CD2-OE1 3.05Å; F700-E1319 PolarHBondContact N-OE1 3.24Å
701H41.8Very low36.9Very low159 Ų159147.8 Ų147.874%0.73678%0.783SS**  trans-147.9107.1179.7-89-112000110.1
702W35.7Very low37Very low219 Ų219149.5 Ų149.583%0.8380%0.801SS**  trans-149.3131.4162.4163.6-103.2000108.9P704W702-P704 HydrophobicContact CH2-CB 4.37Å; W702-P704 HydrophobicContact CZ2-CB 4.01Å; W702-P704 HydrophobicContact CZ2-CG 4.18Å
703S36.7Very low37.4Very low108 Ų108146.5 Ų146.576%0.75579%0.794SS**  trans-160.6110.8173.3-64.20000108.6
704P35Very low37.5Very low97 Ų97150.8 Ų150.863%0.6380%0.802SS**PPolyproline II helixtrans-73.3150.1179.830-33.4000111.2W702W702-P704 HydrophobicContact CH2-CB 4.37Å; W702-P704 HydrophobicContact CZ2-CB 4.01Å; W702-P704 HydrophobicContact CZ2-CG 4.18Å
705K40.3Very low37.5Very low206 Ų206146.8 Ų146.890%0.89680%0.796SS**PPolyproline II helixtrans-92.7121.2-177.9-70.1173.3179.1170.60111
706F35.7Very low37.1Very low202 Ų202140.4 Ų140.489%0.88679%0.787SS**PPolyproline II helixtrans-70.7128.5158.8-112-101.2000109.4
707G39.9Very low37Very low71 Ų71141 Ų14173%0.73279%0.793SS**  trans-119.7111.4174.400000110.2
708L52.2Low36.6Very low146 Ų146141.3 Ų141.376%0.76480%0.796SS**  trans-77.5133.1175-78.574.5000109.9K710L708-K710 PolarHBondContact O-N 3.37Å
709P38.1Very low36.3Very low128 Ų128136.8 Ų136.883%0.83180%0.795SS**  trans-67.1130.2171.728.4-33.2000110
710K35.4Very low36Very low217 Ų217136.8 Ų136.894%0.94380%0.803SS**  trans-104.992172.5-77.7-174174.5-177.70110L708L708-K710 PolarHBondContact O-N 3.37Å
711G36.5Very low35.4Very low78 Ų78132.9 Ų132.980%0.80481%0.809SS**  trans-161142167.200000110
712G33Very low35.2Very low79 Ų79130.7 Ų130.781%0.81481%0.807SS**  cis15352.1-3.200000114.3
713L38.4Very low35.1Very low145 Ų145127.3 Ų127.376%0.75981%0.805SS**  trans-143127.6173.7-15264000111.6I715L713-I715 HydrophobicContact CD1-CD1 3.68Å; L713-I715 HydrophobicContact CD1-CG1 4.03Å; L713-I715 HydrophobicContact CG-CD1 4.17Å; L713-I715 HydrophobicContact CG-CG1 4.15Å
714K36.8Very low35.3Very low214 Ų214127 Ų12793%0.9380%0.798SS**  trans-132.290.1163.7-79.3-168.8175.2-172.10107.3
715I35.1Very low35.6Very low145 Ų145127 Ų12774%0.74480%0.8SS**  trans-138.7136.3171.6-55.4177.5000104.1L713L713-I715 HydrophobicContact CD1-CD1 3.68Å; L713-I715 HydrophobicContact CD1-CG1 4.03Å; L713-I715 HydrophobicContact CG-CD1 4.17Å; L713-I715 HydrophobicContact CG-CG1 4.15Å
716G29.4Very low35.7Very low64 Ų64125 Ų12566%0.6680%0.798SS**  cis-173.2153.9-5.700000107.8G718G716-G718 PolarHBondContact O-N 3.23Å
717G25.8Very low35.8Very low94 Ų94120.5 Ų120.597%0.96979%0.79SS**  trans-70.9115.2179.300000111.1
718G27.5Very low35.7Very low73 Ų73126.8 Ų126.875%0.75380%0.797SS**  trans-115.7118.6163.500000108.1G716G716-G718 PolarHBondContact O-N 3.23Å
719A30.1Very low34.7Very low102 Ų102124.7 Ų124.784%0.84379%0.792SS**  trans-106.996.7175.600000108.4
720D32.2Very low34.4Very low161 Ų161126.9 Ų126.986%0.86179%0.791SS**  trans-126.9102.6163.7-87.5-52.4000107.2
721G28.2Very low34.4Very low82 Ų82124.1 Ų124.185%0.84579%0.786SS**  trans-94.8106.2171.200000109
722V37.2Very low34.2Very low114 Ų114128 Ų12869%0.69179%0.788SS**  trans-127.3102.9161-164.70000108.2V724V722-V724 HydrophobicContact CB-CG2 4.01Å; V722-V724 HydrophobicContact CG1-CG2 3.49Å; V722-V724 VanDerWaalsContact CG1-CG2 3.49Å; V722-V724 PolarHBondContact O-N 3.48Å
723D33.6Very low34.7Very low147 Ų147129.2 Ų129.279%0.78678%0.78SS**  trans-70.785.4162.5-179.115000107.8S725D723-S725 PolarHBondContact O-N 3.01Å
724V40.8Very low34.5Very low101 Ų101127 Ų12761%0.61278%0.776SS**  trans-75.778.3178.8-173.10000108.8V722 L726V722-V724 HydrophobicContact CB-CG2 4.01Å; V722-V724 HydrophobicContact CG1-CG2 3.49Å; V722-V724 VanDerWaalsContact CG1-CG2 3.49Å; V722-V724 PolarHBondContact O-N 3.48Å; V724-L726 PolarHBondContact O-N 3.46Å
725S41.8Very low34.3Very low97 Ų97125.4 Ų125.468%0.67877%0.774SS**PPolyproline II helixtrans-51.6131.8159.5-78.10000109.3D723D723-S725 PolarHBondContact O-N 3.01Å
726L43Very low34.4Very low164 Ų164127.3 Ų127.386%0.85978%0.78SS**PPolyproline II helixtrans-66.6131.9-163.2-68168.4000112.4V724 K728V724-L726 PolarHBondContact O-N 3.46Å; L726-K728 PolarHBondContact O-N 3.12Å
727P36.6Very low34.7Very low108 Ų108130.3 Ų130.370%0.70179%0.785SS**PPolyproline II helixtrans-76.2119.2177.230.1-33.4000111.2
728K38Very low34.9Very low203 Ų203130.7 Ų130.788%0.88377%0.771SS**  trans-133.2109.2152.4-76.2-163.8173-173.70108.8L726L726-K728 PolarHBondContact O-N 3.12Å
729P31.2Very low35.4Very low103 Ų103134 Ų13467%0.66977%0.771SS**  trans-85.6-175.8-179.937.8-37.1000111.6
730E32Very low35.5Very low173 Ų173135.2 Ų135.281%0.80877%0.768SS**  trans64.384157.8-70.7154.9-123.600117.2
731L35.8Very low35.4Very low160 Ų160134.2 Ų134.284%0.83876%0.762SS**  -129.1106118.9-159.777.2000108.9V733L731-V733 HydrophobicContact CD2-CG2 3.94Å; L731-V733 HydrophobicContact CG-CG2 4.02Å
732D32.9Very low36.2Very low158 Ų158137.8 Ų137.885%0.84577%0.768SS**  trans-84113.3-178.9-170.111.3000109.6
733V42.1Very low36.1Very low105 Ų105136.8 Ų136.864%0.63677%0.766SS**  trans-130.393.2-173.9-175.90000109.9L731L731-V733 HydrophobicContact CD2-CG2 3.94Å; L731-V733 HydrophobicContact CG-CG2 4.02Å
734S34.8Very low36.2Very low98 Ų98134.4 Ų134.469%0.68577%0.766SS**  trans45.298.9159.559.70000117.5E736S734-E736 PolarHBondContact O-N 3.28Å
735M31.4Very low36.2Very low181 Ų181135.6 Ų135.689%0.89278%0.779SS**  trans-66.3120.5147.6-76.1-176.2167.300110
736E38.8Very low35.7Very low185 Ų185134.4 Ų134.486%0.86478%0.782SS**  trans-116139.9146.4-72.2-163.4136.400108.3S734S734-E736 PolarHBondContact O-N 3.28Å
737V35.9Very low35.2Very low128 Ų128132.9 Ų132.978%0.77678%0.782SS**  trans-128.1125.4-171.8175.20000109.7
738P29.5Very low34.8Very low101 Ų101136.9 Ų136.966%0.65679%0.792SS**  trans-134.8165.9144.135.5-21.3000113.7
739D37.5Very low34.7Very low144 Ų144135.1 Ų135.177%0.7779%0.79SS**  trans5895.5160.2-50.6-26.7000117.7
740V31.9Very low34.6Very low127 Ų127133.6 Ų133.677%0.7779%0.793SS**  80.1118.850.5-175.40000114.4
741D31.6Very low34.8Very low139 Ų139132.4 Ų132.474%0.74380%0.797SS**  trans36.7110.8165.9-77.9-46.2000121
742V43.9Very low34.3Very low158 Ų158130.5 Ų130.596%0.95880%0.797SS**  trans-113.7106.2136.3179.60000108.3
743S35.1Very low34.1Very low93 Ų93127 Ų12765%0.6580%0.799SS**  trans-87.3158.3-172.163.50000114.6
744A36.9Very low33.7Very low97 Ų97125.4 Ų125.480%0.80280%0.803SS**  trans71.999.3147.200000120.3
745S40.4Very low33.5Very low125 Ų125125.9 Ų125.987%0.87481%0.813SS**  -146.2109128.170.10000111.6
746G30.3Very low33.8Very low73 Ų73125.1 Ų125.175%0.75381%0.811SS**  trans-95.9155.2160.100000109.9
747P32.6Very low33.3Very low132 Ų132128.3 Ų128.386%0.85782%0.815SS**  -144.9159.191.838.2-23.8000115.6
748E28.5Very low33.1Very low192 Ų192125.7 Ų125.790%0.89782%0.815SS**  trans-91.7134.6170.9-56.8179.613200111.5
749I35.1Very low33.2Very low165 Ų165124.4 Ų124.485%0.84682%0.819SS**  trans-141.1126.5153-61.8-175.5000108.2
750G29.4Very low32.8Very low72 Ų72126.1 Ų126.174%0.74282%0.823SS**  trans-121.6151.617300000112.1
751V36.5Very low33Very low147 Ų147128.6 Ų128.689%0.89183%0.831SS**  trans-137.4126170.1-178.10000109.6
752S26.2Very low33Very low120 Ų120124 Ų12484%0.83982%0.816SS**  trans-125.6127.9175.460.80000110.9
753G28.7Very low32.5Very low86 Ų86124.9 Ų124.989%0.88781%0.814SS**  trans163.8146.1170.600000113.4
754G32.1Very low32.4Very low70 Ų70126.8 Ų126.872%0.72282%0.822SS**  trans134.744.1172.300000117.2I756G754-I756 PolarHBondContact O-N 3.37Å
755A30.5Very low32Very low108 Ų108125.5 Ų125.589%0.89382%0.818SS**  trans-75.3101.317100000111.1
756I38.6Very low31.7Very low165 Ų165128.9 Ų128.985%0.84682%0.817SS**  trans-90.2114.6173.7-58.2-180000109.4G754G754-I756 PolarHBondContact O-N 3.37Å
757R28.2Very low31.8Very low252 Ų252131.8 Ų131.895%0.95182%0.821SS**  trans-125.689.9-179.6-173.5-178.3-177.1178.71.6110.6
758G31.2Very low31.6Very low74 Ų74130.7 Ų130.776%0.76382%0.815SS**  trans179.5138.317500000110.6
759G32Very low32.1Very low73 Ų73126 Ų12675%0.75380%0.803SS**  trans13765.7-172.800000112.7L761G759-L761 PolarHBondContact O-N 3.38Å
760E29.6Very low32.1Very low181 Ų181123.3 Ų123.385%0.84680%0.796SS**  trans-57.2109.4177.1178.8-177164.800112.5G762E760-G762 PolarHBondContact O-N 3.03Å
761L35.7Very low32.4Very low179 Ų179126.7 Ų126.794%0.93780%0.797SS**  trans-88.459163.2-70.3-177.2000110.7G759G759-L761 PolarHBondContact O-N 3.38Å
762G31Very low32.6Very low42 Ų42125.8 Ų125.843%0.43379%0.792SS.*  trans-75.6165.4166.500000112.1E760E760-G762 PolarHBondContact O-N 3.03Å
763L34.5Very low33.2Very low176 Ų176125.4 Ų125.492%0.92178%0.781SS**  trans80.396.7176.3-53.3-179.7000117.2G765L763-G765 PolarHBondContact O-N 3.26Å
764T32.2Very low33.8Very low133 Ų133126.8 Ų126.882%0.81677%0.771SS**  trans-62.192.4163.550.50000111.9K766T764-K766 VanDerWaalsContact C-N 3.25Å; T764-K766 PolarHBondContact O-N 3.25Å
765G28.6Very low34.3Very low70 Ų70126.9 Ų126.972%0.72276%0.761SS**  trans-68.872.1172.800000113.6L763 V767L763-G765 PolarHBondContact O-N 3.26Å; G765-V767 PolarHBondContact O-N 2.93Å
766K33.4Very low34.9Very low196 Ų196127.6 Ų127.685%0.85275%0.754SS**  trans-69.677.4168.2-77.4-171.1176.9-179.10110.6T764T764-K766 VanDerWaalsContact C-N 3.25Å; T764-K766 PolarHBondContact O-N 3.25Å
767V34.1Very low34.8Very low135 Ų135125.2 Ų125.282%0.81875%0.749SS**PPolyproline II helixtrans-79.3117.8162.3179.70000107.4G765G765-V767 PolarHBondContact O-N 2.93Å
768C27.9Very low35.3Very low109 Ų109117.5 Ų117.574%0.73673%0.734SS**PPolyproline II helixtrans-59.9146177.5-62.90000111.2P770C768-P770 VanDerWaalsContact O-CD 3.23Å; C768-P770 WeakPolarHBondContact O-CD 3.36Å
769S39.8Very low35.4Very low93 Ų93122.9 Ų122.965%0.6574%0.736SS**PPolyproline II helixtrans-60.3121.9162.844.80000110
770P33.7Very low35.6Very low108 Ų108129.1 Ų129.170%0.70174%0.743SS**PPolyproline II helixtrans-71.8123.4147.231.2-28.4000106.9C768 V772C768-P770 VanDerWaalsContact O-CD 3.23Å; C768-P770 WeakPolarHBondContact O-CD 3.36Å; P770-V772 PolarHBondContact O-N 2.74Å
771D35.1Very low35.8Very low143 Ų143129.2 Ų129.277%0.76574%0.74SS**  trans-63.1106.7175-64.2-65000109.8D773D771-D773 PolarHBondContact O-N 3.05Å
772V41Very low35.6Very low128 Ų128130.2 Ų130.278%0.77674%0.737SS**  trans-79.662.7165.4-176.70000107.5P770 V774P770-V772 PolarHBondContact O-N 2.74Å; V772-V774 VanDerWaalsContact C-N 3.26Å; V772-V774 HydrophobicContact CG1-CG2 4Å; V772-V774 PolarHBondContact O-N 3.21Å
773D39.9Very low35.8Very low113 Ų113133.7 Ų133.760%0.60475%0.75SS**  trans-69.684.4173.5179.241.6000109.3D771 S775D771-D773 PolarHBondContact O-N 3.05Å; D773-S775 VanDerWaalsContact CG-OG 3.29Å; D773-S775 PolarHBondContact O-N 3.1Å; D773-S775 VanDerWaalsContact OD1-CB 3.22Å; D773-S775 WeakPolarHBondContact OD1-CB 3.31Å; D773-S775 PolarHBondContact OD1-N 2.82Å; D773-S775 WeakPolarHBondContact OD2-CB 3.03Å; D773-S775 PolarHBondContact OD2-OG 3.01Å
774V41.6Very low35.4Very low114 Ų114133.7 Ų133.769%0.69174%0.743SS**  trans-77.759.9163.1-170.30000108V772 V776V772-V774 VanDerWaalsContact C-N 3.26Å; V772-V774 HydrophobicContact CG1-CG2 4Å; V772-V774 PolarHBondContact O-N 3.21Å; V774-V776 VanDerWaalsContact C-N 3.34Å; V774-V776 PolarHBondContact O-N 3.49Å
775S40.8Very low35.8Very low73 Ų73130.7 Ų130.751%0.5174%0.739SS.*  trans-64.893.6172.142.40000109.1D773 P777D773-S775 VanDerWaalsContact CG-OG 3.29Å; D773-S775 PolarHBondContact O-N 3.1Å; D773-S775 VanDerWaalsContact OD1-CB 3.22Å; D773-S775 WeakPolarHBondContact OD1-CB 3.31Å; D773-S775 PolarHBondContact OD1-N 2.82Å; D773-S775 WeakPolarHBondContact OD2-CB 3.03Å; D773-S775 PolarHBondContact OD2-OG 3.01Å; S775-P777 WeakPolarHBondContact O-CD 3.18Å
776V43.3Very low35.6Very low122 Ų122137.6 Ų137.674%0.73974%0.743SS**  trans-57.4111.1176.2176.60000108.4V774 S778V774-V776 VanDerWaalsContact C-N 3.34Å; V774-V776 PolarHBondContact O-N 3.49Å; V776-S778 PolarHBondContact O-N 3.3Å
777P37Very low35.7Very low115 Ų115132 Ų13275%0.74774%0.742SS**  trans-76.993.2-170.530-33.6000109.3S775 K779S775-P777 WeakPolarHBondContact O-CD 3.18Å; P777-K779 PolarHBondContact O-N 2.83Å
778S38.9Very low35.6Very low90 Ų90129.7 Ų129.763%0.62973%0.731SS**  trans-62.3134.4-17893.40000111V776V776-S778 PolarHBondContact O-N 3.3Å
779K34.1Very low35.8Very low188 Ų188134.9 Ų134.982%0.81774%0.741SS**  trans60.863.4156.4-55.3162-175166.10116.2P777 K781P777-K779 PolarHBondContact O-N 2.83Å; K779-K781 VanDerWaalsContact C-N 3.3Å; K779-K781 PolarHBondContact O-N 3.13Å
780K36.3Very low35.6Very low203 Ų203134.1 Ų134.188%0.88375%0.748SS**  trans-65.192.1152.4-86.2-175.7177.7172.90110F782K780-F782 PolarHBondContact O-N 3.13Å
781K33.3Very low35.6Very low184 Ų184139.3 Ų139.380%0.876%0.76SS**  trans-68.8111.2175.7-165.3175.2-173.8177.70109.1K779 T783K779-K781 VanDerWaalsContact C-N 3.3Å; K779-K781 PolarHBondContact O-N 3.13Å; K781-T783 HydrophobicContact CG-CG2 4.41Å; K781-T783 PolarHBondContact O-N 2.93Å
782F30.7Very low35.6Very low199 Ų199142.4 Ų142.487%0.87377%0.766SS**  trans-78.991.6-175.7-142.2-85.8000110.7K780K780-F782 PolarHBondContact O-N 3.13Å
783T35.4Very low35.2Very low115 Ų115141.2 Ų141.271%0.70677%0.77SS**  trans-98.4101176.351.10000110.9K781 G785K781-T783 HydrophobicContact CG-CG2 4.41Å; K781-T783 PolarHBondContact O-N 2.93Å; T783-G785 PolarHBondContact O-N 3.38Å; T783-G785 VanDerWaalsContact O-N 3.12Å
784F26.3Very low34.9Very low177 Ų177145.9 Ų145.978%0.77679%0.785SS**  trans-78.391.4173.1-175.8-99.1000110.3
785G40.1Very low34.2Very low70 Ų70149.7 Ų149.772%0.72279%0.792SS**  trans-105.9111.617500000111.6T783 G787T783-G785 PolarHBondContact O-N 3.38Å; T783-G785 VanDerWaalsContact O-N 3.12Å; G785-G787 PolarHBondContact O-N 2.97Å
786W25.1Very low33.9Very low215 Ų215151.6 Ų151.681%0.81480%0.8SS**  trans-79.199.1176.3-179.5-90.2000110.7
787G35.7Very low33.5Very low79 Ų79154.4 Ų154.481%0.81480%0.803SS**  trans-131.597177.200000111.3G785G785-G787 PolarHBondContact O-N 2.97Å
788S32.3Very low33.4Very low86 Ų86156.2 Ų156.260%0.60181%0.806SS**  trans-89.7149.8-172-78.20000114.5
789K32.4Very low33.1Very low217 Ų217157.4 Ų157.494%0.94381%0.811SS**  trans60.3103.9158.8-92.1177.2171.4175.20117.8
790G34.5Very low33.6Very low78 Ų78155.1 Ų155.180%0.80481%0.813SS**  trans-154.220.4169.400000116.1K792G790-K792 PolarHBondContact O-N 3.12Å; G790-K792 VanDerWaalsContact O-N 3.1Å
791K34.5Very low33.5Very low217 Ų217152 Ų15294%0.94381%0.811SS**  trans-75.498.5-177.2-74.5-170.4178.1-176.80112.6
792K34.2Very low33.4Very low207 Ų207149 Ų14990%0.981%0.813SS**  trans-126.6114.4143.6-81.6-167.4176.1-177.30108.7G790 K794G790-K792 PolarHBondContact O-N 3.12Å; G790-K792 VanDerWaalsContact O-N 3.1Å; K792-K794 PolarHBondContact O-N 3Å
793A32.2Very low33.4Very low103 Ų103142.7 Ų142.785%0.85180%0.803SS**  trans-81.3117.5179.900000110.4
794K34.6Very low33.5Very low211 Ų211145.3 Ų145.392%0.91781%0.813SS**  trans-92.1108150.1-87.5-170.4171.5-175.50107.9K792K792-K794 PolarHBondContact O-N 3Å
795K26.8Very low33.8Very low194 Ų194143.5 Ų143.584%0.84382%0.817SS**  trans-71.3170.9168.8-173.6-179.7178-178.30108.8
796V35Very low33.6Very low113 Ų113147.9 Ų147.969%0.68582%0.823SS**  trans98.598.4162.1-171.50000116.4
797K34Very low34Very low181 Ų181142.1 Ų142.179%0.78782%0.822SS**  trans62.9110.3138.7-62.5177.8-177.1-177.10121.2
798L35.6Very low33.8Very low154 Ų154142.1 Ų142.181%0.80682%0.821SS**  64.4138.7122-65.1166.8000120T800L798-T800 PolarHBondContact O-N 3.14Å
799P31.7Very low33.9Very low114 Ų114145.8 Ų145.874%0.7483%0.833SS**PPolyproline II helixtrans-77.6118.8176.332-32.8000111.3V801P799-V801 PolarHBondContact O-N 3.39Å
800T45.5Very low34Very low141 Ų141142.2 Ų142.287%0.86582%0.824SS**PPolyproline II helixtrans-71118.9156.231.40000108.6L798 S802L798-T800 PolarHBondContact O-N 3.14Å; T800-S802 PolarHBondContact O-N 3.37Å
801V33.9Very low34.1Very low138 Ų138144.5 Ų144.584%0.83682%0.823SS**PPolyproline II helixtrans-71.6125.8174.3-175.50000108P799 G803P799-V801 PolarHBondContact O-N 3.39Å; V801-G803 PolarHBondContact O-N 2.77Å
802S31.2Very low34.2Very low121 Ų121137.9 Ų137.985%0.84682%0.816SS**  trans-78113179.453.20000110.5T800T800-S802 PolarHBondContact O-N 3.37Å
803G30.6Very low34.1Very low65 Ų65132 Ų13267%0.6781%0.814SS**  trans-163.473.717800000110.3V801V801-G803 PolarHBondContact O-N 2.77Å
804D37.4Very low34.6Very low171 Ų171136 Ų13691%0.91481%0.812SS**  trans-168.2144.6134.6-88.5-27.4000108.3
805V32.2Very low34.7Very low139 Ų139132.2 Ų132.284%0.84281%0.806SS**  trans-116.2120.6-178.4170.50000107.8
806D36.4Very low35.4Very low162 Ų162130.1 Ų130.187%0.86680%0.804SS**  trans-159.4150.3158.3-115.1-34.6000114.8
807A34.2Very low35.7Very low94 Ų94130.5 Ų130.578%0.77781%0.807SS**  trans42.481.9156.600000122
808G31.2Very low35.6Very low78 Ų78127.2 Ų127.280%0.80480%0.804SS**  84155.4110.400000122.9
809L34.5Very low35.6Very low163 Ų163125 Ų12585%0.85380%0.801SS**  trans56.597.5161.1-146.374.4000117
810D33.8Very low35.9Very low142 Ų142126.9 Ų126.976%0.75981%0.81SS**  73.8149.760.1-162.229.7000115.8
811V37.6Very low35.3Very low127 Ų127129.4 Ų129.477%0.7781%0.809SS**  trans67.1105.6176-161.50000116.6
812G36.8Very low35.7Very low78 Ų78129.3 Ų129.380%0.80481%0.808SS**  trans-163.418.4175.900000116.7K814G812-K814 PolarHBondContact O-N 3.07Å
813G31.4Very low35.9Very low82 Ų82131.2 Ų131.285%0.84581%0.809SS**  trans-72.5115-175.200000113.8
814K42.6Very low36.4Very low189 Ų189133.9 Ų133.982%0.82281%0.812SS**  trans-114.6127.2160.1-84.2-165.1171.1-170.10110.7G812G812-K814 PolarHBondContact O-N 3.07Å
815V37.6Very low36.5Very low130 Ų130133.6 Ų133.679%0.78881%0.811SS**  trans-111.399.6178177.70000108V817V815-V817 HydrophobicContact CG1-CG2 4.11Å
816D41.5Very low36.4Very low151 Ų151132.1 Ų132.181%0.80781%0.807SS**  trans-9897.4174.7-76.9-60.2000110.5
817V40.2Very low36.3Very low121 Ų121127.6 Ų127.673%0.73380%0.798SS**  trans-135.4123.1171.1179.30000104.6V815V815-V817 HydrophobicContact CG1-CG2 4.11Å
818P31.9Very low36.4Very low112 Ų112128.8 Ų128.873%0.72779%0.791SS**  cis-143.1175.448.841.5-24.7000116.1
819S36.1Very low36.9Very low108 Ų108134.3 Ų134.376%0.75579%0.788SS**  163.273.5128.8-75.20000112.4K821S819-K821 PolarHBondContact O-N 2.8Å
820V38Very low37.2Very low153 Ų153133.9 Ų133.993%0.92779%0.791SS**  trans-83.8106.9168.1-179.10000108.9
821K32Very low37.3Very low194 Ų194136 Ų13684%0.84379%0.794SS**  trans-137.396.2169.8-77.3-172.1177.1-178.70110.5S819S819-K821 PolarHBondContact O-N 2.8Å
822V43.6Very low37.3Very low135 Ų135133.8 Ų133.882%0.81880%0.797SS**  trans-141.8129.4153.5-174.60000106
823D34.8Very low37.3Very low161 Ų161139.2 Ų139.286%0.86180%0.798SS**  trans-74.4153.1-164.3-63.8-82.3000114.8D825D823-D825 PolarHBondContact O-N 3.36Å
824V40Very low37.6Very low122 Ų122143.5 Ų143.574%0.73979%0.794SS**  trans-95.994.3-175.8174.90000109.9S826V824-S826 WeakPolarHBondContact CG1-OG 3.38Å; V824-S826 PolarHBondContact O-N 3.34Å
825D39.5Very low37.2Very low165 Ų165144.1 Ų144.188%0.88280%0.797SS**  trans-80.166.7176.8-147.3-3.1000111.2D823 G827D823-D825 PolarHBondContact O-N 3.36Å; D825-G827 VanDerWaalsContact C-N 3.34Å; D825-G827 PolarHBondContact O-N 3.16Å
826S31.3Very low37.3Very low108 Ų108145.5 Ų145.576%0.75579%0.794SS**  trans-80.473.8-179-79.40000112.3V824V824-S826 WeakPolarHBondContact CG1-OG 3.38Å; V824-S826 PolarHBondContact O-N 3.34Å
827G33.9Very low37Very low66 Ų66148.4 Ų148.468%0.6879%0.794SS**  trans-109.659-172.200000117.2D825D825-G827 VanDerWaalsContact C-N 3.34Å; D825-G827 PolarHBondContact O-N 3.16Å
828D36.5Very low36.9Very low119 Ų119147.4 Ų147.464%0.63679%0.793SS**  trans51.9122.5153.7-113-20.4000122.1
829R41.4Very low37.3Very low194 Ų194146.4 Ų146.473%0.73279%0.786SS**  trans67.565.1143.7-60.9159.2-153.5-175.517.8120.9K831R829-K831 PolarHBondContact O-N 3.34Å
830V40Very low37.4Very low154 Ų154147.6 Ų147.693%0.93378%0.784SS**  trans-73.775.7145.3-78.90000111.7G832V830-G832 PolarHBondContact O-N 3.31Å
831K36.7Very low37.4Very low187 Ų187147.1 Ų147.181%0.81377%0.774SS**  trans-7093.6165.5-87-171.6176.1178.10109.4R829 K833R829-K831 PolarHBondContact O-N 3.34Å; K831-K833 VanDerWaalsContact C-N 3.34Å; K831-K833 PolarHBondContact O-N 3.15Å
832G36.8Very low37.7Very low80 Ų80142.3 Ų142.383%0.82576%0.762SS**  trans-59.985.7177.600000113.3V830 K834V830-G832 PolarHBondContact O-N 3.31Å; G832-K834 PolarHBondContact O-N 2.92Å; G832-K834 VanDerWaalsContact O-N 3.09Å
833K37.7Very low37.4Very low192 Ų192143.5 Ų143.584%0.83576%0.762SS**  trans-69.1104.3169.2-81.7-173.9175.5-179.80109.2K831 F835K831-K833 VanDerWaalsContact C-N 3.34Å; K831-K833 PolarHBondContact O-N 3.15Å; K833-F835 PolarHBondContact O-N 3.01Å
834K37Very low37.4Very low173 Ų173140.8 Ų140.875%0.75276%0.756SS**  trans16.894.2148.8-170.8175.3-176.5177.60114.4G832 H836G832-K834 PolarHBondContact O-N 2.92Å; G832-K834 VanDerWaalsContact O-N 3.09Å; K834-H836 PolarHBondContact O-CD2 2.71Å; K834-H836 PolarHBondContact O-N 2.9Å; K834-H836 VanDerWaalsContact O-N 3.14Å
835F34.5Very low37.2Very low202 Ų202144.6 Ų144.689%0.88676%0.763SS**  trans-60115.4170.6-97.3-109.6000110.1K833 W837K833-F835 PolarHBondContact O-N 3.01Å; F835-W837 VanDerWaalsContact C-N 3.31Å; F835-W837 PolarHBondContact O-N 3.23Å; F835-W837 VanDerWaalsContact O-N 3.16Å
836H39.2Very low36.9Very low159 Ų159143.9 Ų143.974%0.73676%0.758SS**  trans-80.582.8164.2-81.7-116000108.1K834 S838K834-H836 PolarHBondContact O-CD2 2.71Å; K834-H836 PolarHBondContact O-N 2.9Å; K834-H836 VanDerWaalsContact O-N 3.14Å; H836-S838 PolarHBondContact O-N 3.03Å
837W35.5Very low37.1Very low211 Ų211147.2 Ų147.280%0.79976%0.759SS**  trans-80.3116.5164.895.6-76000108.3F835 P839F835-W837 VanDerWaalsContact C-N 3.31Å; F835-W837 PolarHBondContact O-N 3.23Å; F835-W837 VanDerWaalsContact O-N 3.16Å; W837-P839 HydrophobicContact CZ3-CB 4.23Å
838S39.1Very low37.2Very low101 Ų101149.9 Ų149.971%0.70676%0.762SS**  trans-109.7138.8159.4-65.40000106.5H836 N840H836-S838 PolarHBondContact O-N 3.03Å; S838-N840 PolarHBondContact O-N 3.42Å
839P38.9Very low37.1Very low90 Ų90150.5 Ų150.558%0.58476%0.761SS**  trans-63.7122.6-177.525.5-33.7000110.3W837 I841W837-P839 HydrophobicContact CZ3-CB 4.23Å; P839-I841 VanDerWaalsContact C-N 3.31Å; P839-I841 PolarHBondContact O-N 2.97Å
840N38.3Very low36.9Very low134 Ų134143.9 Ų143.972%0.71775%0.753SS**  trans-75.683.9174.6-176.516.8000109.4S838 T842S838-N840 PolarHBondContact O-N 3.42Å; N840-T842 WeakPolarHBondContact ND2-CG2 3.48Å; N840-T842 PolarHBondContact O-N 2.92Å; N840-T842 WeakPolarHBondContact OD1-CG2 3.37Å
841I39Very low36.8Very low142 Ų142142.4 Ų142.473%0.72875%0.747SS**  trans-73.885.3165.9-58.8-178000107.1P839 L843P839-I841 VanDerWaalsContact C-N 3.31Å; P839-I841 PolarHBondContact O-N 2.97Å; I841-L843 VanDerWaalsContact C-N 3.35Å; I841-L843 PolarHBondContact O-N 3.3Å
842T38.3Very low36.6Very low94 Ų94140.1 Ų140.158%0.57774%0.743SS**  trans-65.597166.250.90000108.4N840 S844N840-T842 WeakPolarHBondContact ND2-CG2 3.48Å; N840-T842 PolarHBondContact O-N 2.92Å; N840-T842 WeakPolarHBondContact OD1-CG2 3.37Å; T842-S844 VanDerWaalsContact C-N 3.28Å; T842-S844 PolarHBondContact O-N 3.03Å
843L37.3Very low36.5Very low159 Ų159142.5 Ų142.583%0.83274%0.742SS**  trans-62.199.4155.2-91160.7000107.1I841 K845I841-L843 VanDerWaalsContact C-N 3.35Å; I841-L843 PolarHBondContact O-N 3.3Å; L843-K845 PolarHBondContact O-N 3.48Å
844S35.6Very low36.3Very low104 Ų104139.2 Ų139.273%0.72774%0.743SS**  trans-50.7126.9171.7-68.70000108.6T842 L846T842-S844 VanDerWaalsContact C-N 3.28Å; T842-S844 PolarHBondContact O-N 3.03Å; S844-L846 PolarHBondContact O-N 3.02Å
845K35Very low36.3Very low202 Ų202134.3 Ų134.388%0.87874%0.741SS**  trans-67.481.4-178.6-66.3175.8178.8176.90110.2L843 K847L843-K845 PolarHBondContact O-N 3.48Å; K845-K847 PolarHBondContact O-N 3.41Å
846L32.5Very low36.4Very low150 Ų150134.1 Ų134.179%0.78574%0.74SS**  trans-70.588.9163.7-166.574.6000107.4S844 V848S844-L846 PolarHBondContact O-N 3.02Å; L846-V848 VanDerWaalsContact C-N 3.26Å; L846-V848 HydrophobicContact CD2-CG2 4.17Å; L846-V848 HydrophobicContact CG-CG2 4.41Å; L846-V848 PolarHBondContact O-N 2.89Å
847K35.3Very low36.2Very low178 Ų178134.8 Ų134.877%0.77475%0.748SS**  trans-6096.2157.8-80.3-174.2167.3-166.40107.1K845 H849K845-K847 PolarHBondContact O-N 3.41Å; K847-H849 PolarHBondContact O-N 3.29Å
848V37.2Very low36.3Very low122 Ų122133.7 Ų133.774%0.73975%0.752SS**  trans-73108.8146.7-1800000104.7L846 G850L846-V848 VanDerWaalsContact C-N 3.26Å; L846-V848 HydrophobicContact CD2-CG2 4.17Å; L846-V848 HydrophobicContact CG-CG2 4.41Å; L846-V848 PolarHBondContact O-N 2.89Å; V848-G850 PolarHBondContact O-N 2.71Å
849H33.5Very low36Very low132 Ų132132.4 Ų132.461%0.61175%0.747SS**PPolyproline II helixtrans-61.7127.5165.8-130.2-90.2000106.7K847K847-H849 PolarHBondContact O-N 3.29Å
850G37.6Very low35.9Very low56 Ų56135.3 Ų135.358%0.57776%0.758SS**PPolyproline II helixtrans-57.7132.6154.700000107V848 D852V848-G850 PolarHBondContact O-N 2.71Å; G850-D852 PolarHBondContact O-N 2.82Å
851P38.4Very low35.6Very low123 Ų123133 Ų13380%0.79976%0.757SS**PPolyproline II helixtrans-70.6120.2-17827.3-32.8000109.9V853P851-V853 PolarHBondContact O-N 3.46Å
852D33Very low35.5Very low138 Ų138138 Ų13874%0.73877%0.767SS**PPolyproline II helixtrans-58.4121.9143.9-69.5-64.6000107.4G850G850-D852 PolarHBondContact O-N 2.82Å
853V34.4Very low35.5Very low131 Ų131140.5 Ų140.579%0.79478%0.777SS**  -158.4116.7119.2169.10000107.7P851 G855P851-V853 PolarHBondContact O-N 3.46Å; V853-G855 PolarHBondContact O-N 2.77Å
854S31.9Very low35.2Very low122 Ų122140.4 Ų140.485%0.85378%0.776SS**  trans-73.288.9163.857.20000110.2K856S854-K856 PolarHBondContact O-N 3Å
855G38.4Very low35.3Very low70 Ų70141.1 Ų141.172%0.72277%0.772SS**  trans-75110.8167.500000110.1V853V853-G855 PolarHBondContact O-N 2.77Å
856K36.5Very low35.1Very low198 Ų198136.8 Ų136.886%0.86177%0.767SS**  trans-71.8156.9171.8-94.8-170.7177.2-177.40111.2S854 H858S854-K856 PolarHBondContact O-N 3Å; K856-H858 PolarHBondContact O-N 3.09Å; K856-H858 VanDerWaalsContact O-N 3.09Å
857L35.2Very low35.2Very low174 Ų174135 Ų13591%0.91176%0.758SS**  trans-28107.9161.1-73.3160.7000113.4
858H36.9Very low35.1Very low188 Ų188132.6 Ų132.687%0.8776%0.758SS**  trans-128.2162.5141.6-135.3-90.8000107.9K856K856-H858 PolarHBondContact O-N 3.09Å; K856-H858 VanDerWaalsContact O-N 3.09Å
859A32.5Very low34.8Very low73 Ų73133.5 Ų133.560%0.60376%0.764SS**  trans-77.6173.9-168.400000114.7
860D37.4Very low34.7Very low152 Ų152129.7 Ų129.781%0.81376%0.761SS**  trans69112.6164.8-54.2-43.4000116.8
861A32.1Very low34.4Very low85 Ų85133.1 Ų133.170%0.70277%0.771SS**  86.7139.250.600000113.4
862R37Very low34Very low247 Ų247131.7 Ų131.793%0.93276%0.764SS**  trans72.1132.6-167-50.1177.7-174-168.91.9113
863N37.6Very low34Very low147 Ų147132.5 Ų132.579%0.78676%0.763SS**  cis-149.1173.4-15.8-155.85.1000111.1
864L31.5Very low33.6Very low157 Ų157133.8 Ų133.882%0.82277%0.765SS**  trans-45.1167.7174.1-67.1163.1000116.2
865N37Very low33.3Very low118 Ų118138.2 Ų138.263%0.63176%0.764SS**  trans92.970153.3-148.830.1000117.5N867N865-N867 VanDerWaalsContact C-N 3.26Å; N865-N867 PolarHBondContact O-N 3.16Å
866S31.4Very low33Very low111 Ų111141.3 Ų141.378%0.77676%0.764SS**  trans-52.493.1132.551.80000110.5V868S866-V868 PolarHBondContact O-N 3.29Å
867N33.8Very low32.5Very low114 Ų114137.5 Ų137.561%0.6176%0.761SS**  trans-78.273.8172-160.723.3000110.8N865 T869N865-N867 VanDerWaalsContact C-N 3.26Å; N865-N867 PolarHBondContact O-N 3.16Å; N867-T869 PolarHBondContact O-N 2.98Å; N867-T869 VanDerWaalsContact O-N 3.08Å; N867-T869 PolarHBondContact O-OG1 2.8Å
868V33.5Very low32.4Very low126 Ų126134.3 Ų134.376%0.76475%0.748SS**  trans28.872.1144.4-166.20000114.9S866S866-V868 PolarHBondContact O-N 3.29Å
869T31.5Very low32.1Very low141 Ų141136.1 Ų136.187%0.86575%0.749SS**  trans-143.7104174.932.10000108.8N867N867-T869 PolarHBondContact O-N 2.98Å; N867-T869 VanDerWaalsContact O-N 3.08Å; N867-T869 PolarHBondContact O-OG1 2.8Å
870G31.4Very low31.9Very low53 Ų53136 Ų13655%0.54674%0.744SS.*  cis-162.6-175-6.600000113.3
871T31.3Very low31.6Very low128 Ų128133.6 Ų133.679%0.78574%0.739SS**  48.6115.6121.459.50000117.5
872S28.9Very low31.6Very low93 Ų93137.1 Ų137.165%0.6574%0.743SS**  cis51.8128.920.290.30000113.4
873E33.2Very low31.3Very low154 Ų154131.8 Ų131.872%0.7273%0.731SS**  cis-117.2159.512.3-89.592.1-103.400111.3
874L27.5Very low30.9Very low159 Ų159129.4 Ų129.483%0.83273%0.726SS**  58124.968.7-63.7172.1000116.1
875Y25.9Very low31Very low214 Ų214126.7 Ų126.784%0.83972%0.72SS**  trans72.2176.3163.5-112.1-101.2000120.5
876N30.9Very low30.8Very low135 Ų135130 Ų13072%0.72273%0.73SS**  trans-81160.1-156.1-77.7-60.3000115.6V878N876-V878 PolarHBondContact O-N 2.96Å; N876-V878 VanDerWaalsContact O-N 3.11Å
877C25.9Very low30.8Very low118 Ų118128 Ų12880%0.79771%0.714SS**SBendtrans-65.9107.7161.9-167.30000110.9
878V33.9Very low30.6Very low107 Ų107127.8 Ų127.865%0.64872%0.722SS**  trans56.9106.4138.4-179.80000117.4N876 S880N876-V878 PolarHBondContact O-N 2.96Å; N876-V878 VanDerWaalsContact O-N 3.11Å; V878-S880 PolarHBondContact O-N 3.43Å
879Y30.5Very low30.3Very low227 Ų227126 Ų12689%0.8972%0.715SS**SBendtrans-77.7106.7139.6-175.7-93.8000109.2
880S28.6Very low30.4Very low70 Ų70124.7 Ų124.749%0.4971%0.706SS.*  trans47.8132.6157.2-63.80000122.5V878V878-S880 PolarHBondContact O-N 3.43Å
881S30.4Very low30.4Very low102 Ų102128.3 Ų128.371%0.71371%0.713SS**  trans80.6157.2154.7-17.20000116.7
882M32.7Very low30.4Very low158 Ų158128.3 Ų128.378%0.77871%0.708SS**  cis-141.2146.16.8-92.4-161.9-177.500113.2
883I30.7Very low30.4Very low135 Ų135127.6 Ų127.669%0.69270%0.703SS**  trans57.2112.5134.7-57.4174.9000120.4
884S29.6Very low30.4Very low97 Ų97126.7 Ų126.768%0.67871%0.711SS**  trans68.2172.2144.293.40000118
885S32.8Very low30.5Very low100 Ų100123.3 Ų123.370%0.69970%0.7SS**  cis-126.9117.7-1.4-87.60000113.1
886F32Very low30.7Very low188 Ų188123.6 Ų123.683%0.82570%0.701SS**  trans51.1144140.6-77.7-96.2000121.3
887P32.2Very low30.5Very low69 Ų69123 Ų12345%0.44870%0.697SS.*  trans-75.7-178162.739.9-37.6000108.9M1338P887-M1338 HydrophobicContact CB-CE 4.38Å
888S28.9Very low30.9Very low110 Ų110122.2 Ų122.277%0.76968%0.684SS**  -156.9126.7106.156.80000107.8
889S28.5Very low30.8Very low89 Ų89120.5 Ų120.562%0.62268%0.677SS**  cis56.7144.145.998.30000109.4
890V31.7Very low30.8Very low113 Ų113111.6 Ų111.669%0.68565%0.645SS**  cis-170.2-155.97.487.70000102.4
891D32Very low31Very low129 Ų129114.3 Ų114.369%0.6966%0.663SS**  trans68.1138.7164-69.4-16.5000117.3
892N31.1Very low31Very low127 Ų127115.6 Ų115.668%0.67967%0.67SS**  cis-143.7162.3-12.3-127-34.9000116.2
893S29.8Very low31.2Very low79 Ų79116.9 Ų116.955%0.55268%0.679SS**  trans-41.1139.2173.154.10000115S895S893-S895 PolarHBondContact O-N 3.04Å
894P33.2Very low31Very low135 Ų135115.2 Ų115.288%0.87768%0.68SS**  trans-76.1117.1172.831.4-33.1000111.2
895S29.3Very low31.1Very low87 Ų87115.3 Ų115.361%0.60868%0.68SS**  trans-168.2126.7-178126.60000108.8S893S893-S895 PolarHBondContact O-N 3.04Å
896Y30.3Very low30.9Very low221 Ų221119.6 Ų119.687%0.86769%0.689SS**  cis-137.4157.5-7.3-95.5-84.3000110.5
897I27.6Very low30.6Very low121 Ų121119.7 Ų119.762%0.62169%0.689SS**  trans-76.3146.2163.2-69.8167.9000108.5P1406I897-P1406 HydrophobicContact CG2-CB 3.83Å; I897-P1406 HydrophobicContact CG2-CG 3.19Å
898L32.3Very low30.5Very low102 Ų102123.1 Ų123.153%0.53470%0.703SS.*  trans176.5153.2131.3-98174.1000115.7P1406 K1408L898-P1406 WeakPolarHBondContact CD2-O 3.15Å; L898-K1408 WeakPolarHBondContact CD1-OXT 3.43Å
899S33.3Very low30.4Very low72 Ų72126.6 Ų126.650%0.50371%0.707SS.*  trans83126.1163.4-58.70000118.7P1406S899-P1406 WeakPolarHBondContact CA-O 3.21Å; S899-P1406 PolarHBondContact N-O 2.91Å
900D31.1Very low30.4Very low40 Ų40127 Ų12721%0.21471%0.71CS.*  trans-98.6166.1176-38.2-38.3000109.9L1405 P1406 H1407D900-L1405 VanDerWaalsContact OD1-CB 3.25Å; D900-L1405 WeakPolarHBondContact OD1-CB 3.13Å; D900-L1405 VanDerWaalsContact OD2-C 3.29Å; D900-P1406 WeakPolarHBondContact OD1-CD 3.46Å; D900-H1407 PolarHBondContact N-CE1 3.08Å; D900-H1407 VanDerWaalsContact N-CE1 3.26Å; D900-H1407 PolarHBondContact N-NE2 2.73Å; D900-H1407 PolarHBondContact O-CE1 3.3Å; D900-H1407 PolarHBondContact O-NE2 2.9Å; D900-H1407 VanDerWaalsContact O-NE2 3.09Å; D900-H1407 IonicContact OD2-CD2 3.28Å; D900-H1407 PolarHBondContact OD2-CD2 3.28Å; D900-H1407 VanDerWaalsContact OD2-CD2 3.28Å; D900-H1407 IonicContact OD2-CG 3.83Å; D900-H1407 PolarHBondContact OD2-N 2.7Å; D900-H1407 VanDerWaalsContact OD2-N 3.13Å
901C32.6Very low30.4Very low127 Ų127132.6 Ų132.686%0.85872%0.721SS**  trans-165.2135.6142.9-105.30000109.3
902C30.2Very low30.3Very low128 Ų128130.6 Ų130.687%0.86572%0.722SS**  trans-111.9114.2177.8-670000110
903L35.5Very low30.4Very low185 Ų185131.1 Ų131.197%0.96973%0.732SS**  trans-143.3160.8152.9-88.2178.1000108.4
904S28.3Very low30.4Very low101 Ų101131.8 Ų131.871%0.70674%0.742SS**  trans-129.9173.9-166.763.10000113.7
905S30.5Very low30.4Very low99 Ų99131 Ų13169%0.69274%0.74SS**  trans62.885.4157.945.20000117.3
906E28.2Very low30.2Very low190 Ų190132.8 Ų132.889%0.88875%0.747SS**  30.1114.4121.5-60176.2164.600118.5
907F27.3Very low30Very low189 Ų189128.8 Ų128.883%0.82975%0.745SS**  trans-148.1137.1141.9-147.2-118000113.1
908L29.6Very low30Very low142 Ų142128.9 Ų128.974%0.74375%0.751SS**  trans35.2126.2168.6-66.5-179000122.5
909Q27Very low29.7Very low182 Ų182129.9 Ų129.985%0.8576%0.761SS**  trans-91.4130.7157.9-167.2165.6-5.900109
910S28Very low29.6Very low97 Ų97131.7 Ų131.768%0.67877%0.774SS**  trans163.2117144.143.80000112.8
911Y32.2Very low29.4Very low232 Ų232137.8 Ų137.891%0.9181%0.807SS**  177.9141.7123.6-103.9-73000109.2
912A28.4Very low29.4Very low86 Ų86136.6 Ų136.671%0.71181%0.806SS**  trans-138.9150.6168.600000107.3
913P34.4Very low29.6Very low139 Ų139133.9 Ų133.990%0.90380%0.8SS**  -139.3-163.591.537.6-21.9000112.9
914A28.6Very low29.3Very low92 Ų92133.2 Ų133.276%0.7680%0.795SS**  trans-122.7150.1-160.600000116.1
915S33.1Very low29.3Very low118 Ų118134.2 Ų134.283%0.82580%0.797SS**  trans-167135.8151.221.40000106.5
916V26.2Very low29.1Very low126 Ų126134.3 Ų134.376%0.76480%0.798SS**  cis101.3119.718.4178.20000112.9
917V25.6Very low29Very low137 Ų137131.3 Ų131.383%0.8379%0.793SS**  trans72.9149-175.6-172.90000115.2
918V26.8Very low29.1Very low123 Ų123131.6 Ų131.675%0.74580%0.799SS**  -171.2134.1-59.4131.70000109.6
919V27.1Very low29Very low122 Ų122128.4 Ų128.474%0.73980%0.8SS**  trans53.195.6156.2-179.10000119.7
920S30.1Very low29Very low111 Ų111125.6 Ų125.678%0.77680%0.796SS**  58.8109.5112.8-45.60000122.2
921D27.3Very low29.1Very low168 Ų168129.8 Ų129.890%0.89880%0.802SS**  trans-77.5126.1165.1-85.5-53.5000114.3
922A33Very low29.1Very low102 Ų102123.8 Ų123.884%0.84379%0.794SS**  trans-155.559.1159.300000109
923G33.7Very low29.4Very low71 Ų71124.7 Ų124.773%0.73279%0.792SS**  trans-81.1153-172.100000115.2
924I30.8Very low29.2Very low170 Ų170124.1 Ų124.187%0.87279%0.789SS**  trans-92.9-175-178.8-13.6177000111.6
925T27.7Very low29.4Very low122 Ų122125.5 Ų125.575%0.74879%0.787SS**  trans-71.9150-170.3490000116.6
926S25.4Very low29.2Very low101 Ų101130 Ų13071%0.70679%0.793SS**  trans100.3153.9144.281.10000120.7
927T27.5Very low29.3Very low127 Ų127128.7 Ų128.778%0.77979%0.789SS**  trans82.1121.2169.864.80000120.5
928M27.7Very low29.3Very low195 Ų195127.4 Ų127.496%0.96179%0.786SS**  trans48.7132147.3-56.8-56.7-17500121.9
929G28.1Very low29.6Very low75 Ų75127.5 Ų127.577%0.77379%0.789SS**  trans147.593.8155.500000117.7
930T27.4Very low29.6Very low123 Ų123127.9 Ų127.976%0.75579%0.792SS**  trans-43.5153.2151.346.30000113.8
931F30.7Very low30Very low186 Ų186128 Ų12882%0.81679%0.791SS**  cis-152.7153.718.4-107.1-66.9000111.6
932S31.7Very low30.2Very low105 Ų105127.1 Ų127.173%0.73479%0.791SS**  trans30.1153.6144.9-630000124.8
933P34.3Very low30.2Very low105 Ų105131 Ų13168%0.68279%0.792SS**  trans-94.8164.4-161.238.5-38.3000116.2V935P933-V935 PolarHBondContact O-N 3.04Å
934P30.9Very low30.1Very low127 Ų127132.9 Ų132.983%0.82579%0.791SS**  trans-79.5116.2172.831.9-33.4000112.4
935V32.7Very low30.4Very low121 Ų121133.3 Ų133.373%0.73380%0.795SS**  trans-119.597.6162.8-1800000108.2P933P933-V935 PolarHBondContact O-N 3.04Å
936F27.6Very low30.7Very low213 Ų213136.6 Ų136.693%0.93480%0.801SS**  trans-113.994.5172.7-122.5-81.6000108.9
937S28.4Very low31.3Very low98 Ų98137.6 Ų137.669%0.68581%0.805SS**  trans-98.4135.9168.936.40000109.6
938S26.9Very low31.5Very low111 Ų111138.1 Ų138.178%0.77681%0.808SS**  trans-60.5157.9166.834.80000111
939P33.3Very low31.6Very low124 Ų124135.8 Ų135.881%0.80580%0.8SS**  cis-132.5-177.233.339.8-21.7000117
940T27.4Very low31.7Very low131 Ų131139.7 Ų139.780%0.80480%0.802SS**  trans-103.2-173.7-176.758.30000111
941P37.4Very low32.1Very low114 Ų114141.3 Ų141.374%0.7481%0.805SS**  -123.9179.1-89.136.9-19.6000113.3
942T32.7Very low32.2Very low148 Ų148138 Ų13891%0.90880%0.802SS**  trans-143.6154.1163.8-53.90000109.4
943E33.1Very low32.2Very low183 Ų183138.5 Ų138.586%0.85580%0.8SS**  trans-75.2160.1-160-80.9179.9116.700116.3
944P30.7Very low32.3Very low112 Ų112139.4 Ų139.473%0.72780%0.804SS**  trans-86.6156.1-174.535.7-36.7000113.8
945L36.5Very low32.5Very low179 Ų179141.4 Ų141.494%0.93780%0.802SS**  trans-135.9145.1158.6-72.3176.4000109.7
946E33.8Very low32.5Very low191 Ų191143.6 Ų143.689%0.89380%0.804SS**  trans-88.2160.8-172.5-77.3-173.214700113.6
947P38.7Very low32.9Very low122 Ų122138.6 Ų138.679%0.79279%0.793SS**  trans-89.2145.4-170.234.9-35.2000113.9
948V32Very low32.8Very low138 Ų138140.1 Ų140.184%0.83679%0.793SS**  trans-141.5142161-1760000108.9
949D29.7Very low32.9Very low146 Ų146141 Ų14178%0.78179%0.788SS**  trans-69.3-173.7178.5-60.7-83000114.8
950L30.9Very low32.7Very low157 Ų157139.6 Ų139.682%0.82278%0.781SS**  trans99.8107.9159.3-50.6177.8000117.2
951L35.1Very low32.9Very low157 Ų157137.9 Ų137.982%0.82277%0.772SS**  trans10.3143.2130.2-54.7179000116.7
952P32.7Very low32.7Very low115 Ų115141.1 Ų141.175%0.74778%0.775SS**  -159.2-162.356.935.2-8.9000118.2
953V31.6Very low32.4Very low116 Ų116139 Ų13970%0.70377%0.766SS**  trans86148.1154.6-140.60000119.9
954V36.7Very low32.5Very low124 Ų124134.8 Ų134.875%0.75276%0.757SS**  trans70.7118.1166.8-163.90000116
955E34.1Very low32.8Very low170 Ų170134.5 Ų134.579%0.79476%0.755SS**  cis178.7159.9-26.5-110.7170172.800105.3
956E33.5Very low32.3Very low166 Ų166134 Ų13478%0.77675%0.748SS**  trans-51.2150.9172.3-91.7-179.9-135.800113.9
957P35.5Very low32.2Very low109 Ų109134 Ų13471%0.70875%0.745SS**  -147139.568.634.2-13.1000119.2
958L27.5Very low31.7Very low130 Ų130132 Ų13268%0.68173%0.734SS**  54.9140.9127.9-50.2175.9000119.4
959I28.9Very low31.6Very low128 Ų128132 Ų13266%0.65673%0.729SS**  cis-155.9123-0.7-110.5160.5000102.9
960S28.7Very low31.5Very low95 Ų95130.3 Ų130.366%0.66473%0.728SS**  56.6160.580.5100.30000114.7
961P31.4Very low31.6Very low95 Ų95127.8 Ų127.862%0.61772%0.724SS**  cis-128.7-147-10.234.6-12.6000111.6
962F34Very low31.6Very low183 Ų183126.7 Ų126.780%0.80372%0.724SS**  trans6875.4179.1-60.5-69.6000114.8
963S24.7Very low32Very low103 Ų103129.5 Ų129.572%0.7273%0.731SS**  80128.354.591.80000114.5
964S36.6Very low32.5Very low95 Ų95128.9 Ų128.966%0.66473%0.73SS**  trans-55.4162.6156.9580000110.6
965P35.8Very low32.4Very low106 Ų106128.4 Ų128.469%0.68873%0.732SS**  -130.9157.269.245.6-32.1000111
966E27.3Very low32.4Very low169 Ų169131.7 Ų131.779%0.7974%0.737SS**  40.6120.270.9-69.8-176.3155.100112.7
967F31.5Very low32.7Very low189 Ų189131.9 Ų131.983%0.82974%0.742SS**  trans-173139.5131.4-123.1-99.6000110.3
968C28Very low32.4Very low82 Ų82134.3 Ų134.355%0.55475%0.748SS**  trans29.7113.7155.6-70.70000121
969D30.1Very low33.4Very low138 Ų138133.4 Ų133.474%0.73875%0.75SS**  70.3134.9112.9-50.1-31.2000121.8
970S27.9Very low33.3Very low109 Ų109138.9 Ų138.976%0.76276%0.762SS**  trans81.8136.1151.675.90000120.5
971S32.1Very low33.5Very low105 Ų105141.9 Ų141.973%0.73477%0.771SS**  trans61.592.316148.30000120.2
972T35.5Very low33.5Very low134 Ų134141.3 Ų141.382%0.82277%0.774SS**  44.7103.4119.9-40.10000119.6
973L39.8Very low33.3Very low173 Ų173142.4 Ų142.491%0.90678%0.779SS**  trans-73.1131.8159.1-59.7163.7000109.3
974P42.4Very low33.8Very low103 Ų103146 Ų14667%0.66978%0.784SS**  -156.614292.237.3-17.2000118
975S36Very low33.9Very low114 Ų114148 Ų14880%0.79779%0.788SS**  trans67.7153.8159.386.20000117.6
976R32.9Very low33.6Very low239 Ų239150.1 Ų150.190%0.90279%0.792SS**  cis-152.5129.8-6.6-135.7170.2-172.2153.20.5108.2
977I40.9Very low34Very low171 Ų171148.9 Ų148.988%0.87779%0.791SS**  trans-87.2139.2-172.5-68.2173.3000112.2
978L28.7Very low34.1Very low160 Ų160148.5 Ų148.584%0.83879%0.791SS**  trans-105.7160.8163.6-91.7-179.5000110.7
979P48.1Very low34.7Very low110 Ų110149.4 Ų149.471%0.71480%0.798SS**  trans-86.3174.6-166.237.2-38.5000113.4
980R26.8Very low35Very low244 Ų244152.1 Ų152.192%0.92180%0.804SS**  trans-154.8139.7155-117162.1179.7155.3-3.1112.7
981N33.2Very low35.5Very low157 Ų157151.9 Ų151.984%0.8480%0.803SS**  trans-81.9168.4158.6-69.3-33.2000109.2
982A31.3Very low35.7Very low84 Ų84152.2 Ų152.269%0.69481%0.805SS**SBendtrans-75.5164.7164.200000112
983F30.6Very low35.9Very low206 Ų206151.3 Ų151.390%0.90480%0.801SS**  trans85.4135-176.1-65.1-84.8000117.4
984Q34.2Very low35.9Very low177 Ų177148.8 Ų148.883%0.82779%0.792SS**  trans75.381.4173.1-62.8-174-48.500119.3
985D38.9Very low35.8Very low137 Ų137151 Ų15173%0.73380%0.799SS**  49115.9109.9-48-32.7000123.1
986I29.7Very low36Very low151 Ų151151.3 Ų151.377%0.77480%0.801SS**  trans78.6155.3132.1-60.4170.9000119.9
987D34.8Very low36.1Very low144 Ų144142.9 Ų142.977%0.7779%0.789SS**  trans65129.9-174.9-56.2-27.3000116.2
988E34.6Very low36Very low181 Ų181144.4 Ų144.485%0.84679%0.789SS**  cis100.8115.323.2-69.7-151.6170.300117.1
989S39.9Very low36.4Very low100 Ų100143.5 Ų143.570%0.69979%0.785SS**  trans117.2132.5153.3-48.40000121.6
990F36.1Very low35.7Very low196 Ų196141.4 Ų141.486%0.8678%0.784SS**  trans86.8120.9155.7-61.6-69.3000125.7
991S39.4Very low36Very low104 Ų104136.8 Ų136.873%0.72778%0.777SS**  trans43.1139.6146.152.40000123.8
992S35Very low35.9Very low111 Ų111136.3 Ų136.378%0.77677%0.773SS**  cis82.7155.228.382.70000116.7
993P39.9Very low35.9Very low116 Ų116136.2 Ų136.275%0.75377%0.767SS**  cis-142.7-162.60.732.7-5.8000118.1
994V41.5Very low36Very low119 Ų119132.7 Ų132.772%0.72176%0.758SS**  trans110.1121.7150.5-172.30000123.3
995D38.9Very low36Very low149 Ų149130.7 Ų130.780%0.79775%0.753SS**  trans12.6162.7146.9-49.5-23.1000123.7
996S39.6Very low35.6Very low121 Ų121132.9 Ų132.985%0.84676%0.759SS**  cis-176.6-175.4-20.1630000107.1
997G36Very low35.6Very low63 Ų63131.7 Ų131.765%0.64976%0.758SS**  cis165.8161.7-1.600000112.1
998F38.7Very low35.5Very low202 Ų202134 Ų13489%0.88677%0.765SS**  trans65.7163.1176-88.9-114000119
999N36.2Very low35.3Very low141 Ų141132.1 Ų132.175%0.75476%0.759SS**  -173.3122.8-54.8-113.4-10.9000112
1000G33.9Very low34.7Very low66 Ų66133.9 Ų133.968%0.6876%0.761SS**  trans59.9-176.4162.200000118.9
1001D33.6Very low34.3Very low147 Ų147132.3 Ų132.379%0.78676%0.756SS**  cis179.5150.1-39.8-112.9-39.6000108.9
1002I30.8Very low34.1Very low148 Ų148134.6 Ų134.676%0.75976%0.758SS**  trans57.9137.2146.6-65.3168.3000118.4
1003S31.3Very low33.8Very low81 Ų81138.2 Ų138.257%0.56676%0.76SS**  cis-178.7170.2-11.560.20000110
1004N33.2Very low33.4Very low133 Ų133139.3 Ų139.371%0.71176%0.758SS**  trans73.9152.7147.9-69.511.8000121.8
1005D34.4Very low33.1Very low135 Ų135140.9 Ų140.972%0.72277%0.768SS**  trans49.4108.2151.5-47.6-20.1000118
1006E29.8Very low32.5Very low182 Ų182138.2 Ų138.285%0.8576%0.759SS**  67.8121.579.8-78.8-155178.700115.2
1007V29Very low32.3Very low126 Ų126139.6 Ų139.676%0.76476%0.755SS**  trans59.6102.2165.8-171.70000116.8
1008E33.9Very low31.9Very low194 Ų194145.2 Ų145.291%0.90776%0.764SS**  -142.6151.7119.3-130.8167.4-16400111.2
1009I29.8Very low31.5Very low141 Ų141141.2 Ų141.272%0.72376%0.757SS**  trans-90.8174.6179-67.6168.1000107.9
1010D28.4Very low31.2Very low137 Ų137141.5 Ų141.573%0.73376%0.758SS**  trans-33139.4168.6-51.8-84.8000112.6
1011E27.4Very low31.1Very low162 Ų162149.6 Ų149.676%0.75777%0.768SS**  -159.6124.673-85.4175.2175.600115.1
1012I34.5Very low31Very low152 Ų152148.1 Ų148.178%0.77977%0.765SS**  33.896.8124.4-47.1169.2000116.7
1013F28.5Very low30.9Very low187 Ų187148 Ų14882%0.8276%0.764SS**  trans-145.9150.6166.1-108.7-77.6000116.8
1014I32Very low31Very low139 Ų139149.2 Ų149.271%0.71377%0.77SS**  trans72.9105.4166.8-58.5167.1000116.2P1016I1014-P1016 HydrophobicContact CG2-CG 3.93Å
1015V34.9Very low30.9Very low153 Ų153151.3 Ų151.393%0.92777%0.773SS**  trans-114.5102.9171176.70000110.6
1016P27.6Very low30.8Very low92 Ų92153 Ų15360%0.59778%0.777SS**  trans-126.6171.6169.736.4-20000113I1014I1014-P1016 HydrophobicContact CG2-CG 3.93Å
1017I34.4Very low30.9Very low151 Ų151151.7 Ų151.777%0.77477%0.771SS**  trans69.988.6-165.8-50.4176.8000109.9
1018Q28.2Very low30.8Very low180 Ų180154.5 Ų154.584%0.84177%0.769SS**  cis52.485.436.4-64.5-167-3.100114.1
1019T29.5Very low30.5Very low118 Ų118153.5 Ų153.572%0.72476%0.762SS**  -163.7121.5127.410.40000113.2
1020N30.6Very low30.6Very low148 Ų148151.8 Ų151.879%0.79176%0.758SS**  trans45.879.7140.1-58.1-18.1000119.6
1021R32.2Very low30.7Very low235 Ų235154.3 Ų154.389%0.88777%0.766SS**  -162.8128.794.7-104.4164.5174.5152-0.5113.9
1022V30.6Very low31.1Very low117 Ų117150.9 Ų150.971%0.70976%0.759SS**  4399.8126.9-177.10000115
1023L29Very low31Very low144 Ų144152 Ų15275%0.75476%0.761SS**  62.114285.8-66.3167000114.2
1024P34.4Very low31.4Very low107 Ų107150.1 Ų150.170%0.69576%0.76SS**  cis-112.1164.4-10.646.1-34.3000109.7
1025K29.3Very low31.4Very low178 Ų178150.2 Ų150.277%0.77476%0.76SS**  46.5111.862.8-72.9-173.5177.1-174.60113.7
1026E32.6Very low31.5Very low170 Ų170151.1 Ų151.179%0.79476%0.759SS**  -169.5152.8113-106.8158.1-153.200111.9
1027Q33.1Very low31.8Very low155 Ų155150.3 Ų150.372%0.72476%0.76SS**  trans-116.2128.7-179.6-147-178.8-4.900106.1
1028Y25.9Very low31.8Very low185 Ų185147.6 Ų147.673%0.72576%0.76SS**  trans59.687.1177.7-51.7-71.7000116.3T1030Y1028-T1030 PolarHBondContact O-N 3.48Å
1029F28.4Very low31.8Very low172 Ų172148.2 Ų148.275%0.75476%0.763SS**  trans-71.288.7147.9-107.4-82.2000109.3
1030T31.7Very low32Very low105 Ų105146.7 Ų146.764%0.64476%0.763SS**  trans-108132.2154.541.80000108.1Y1028Y1028-T1030 PolarHBondContact O-N 3.48Å
1031E31.1Very low32.3Very low191 Ų191148.3 Ų148.389%0.89377%0.765SS**  trans68.882.9167.6-54.7-172.4133.700118.6
1032S33.8Very low32Very low89 Ų89143.9 Ų143.962%0.62276%0.755SS**  trans-167.1130.41349.90000107.3
1033Q34.2Very low32.3Very low175 Ų175145.5 Ų145.582%0.81875%0.752SS**  cis63.273.645.7-63.3-167.1-29.300113.6
1034D37Very low32.4Very low148 Ų148143.8 Ų143.879%0.79175%0.752SS**  -167.5128.6112.6-86.2-22.9000107
1035I32Very low32.1Very low142 Ų142147.7 Ų147.773%0.72875%0.754SS**  cis64.189.547.3-51.4179.5000111.9
1036L36.1Very low32.3Very low172 Ų172146.8 Ų146.890%0.90175%0.752SS**  trans164.3140.5146.8-88.8173.7000107.6
1037A33.4Very low32.7Very low75 Ų75144.3 Ų144.362%0.6275%0.751SS**  cis-162.591.7-24.700000109.3
1038A33.8Very low32.7Very low94 Ų94141.4 Ų141.478%0.77775%0.754SS**  trans-158.6101.3159.700000104.9
1039E28.3Very low33.1Very low193 Ų193140.6 Ų140.690%0.90276%0.757SS**  cis57.648.425.4-64.1-158.5169.100113.2
1040A35.4Very low33.3Very low86 Ų86138.3 Ų138.371%0.71175%0.752SS**  trans-139.8101.9152.700000109.3
1041E35.3Very low33.5Very low181 Ų181140.3 Ų140.385%0.84676%0.758SS**  trans43.198.3159.9-51.4-163.8168.900117.8
1042E26Very low33.5Very low143 Ų143138.7 Ų138.767%0.66876%0.756SS**  78.6139.450.9-158.1-136.2139.400114.5
1043K38Very low33.4Very low151 Ų151138.2 Ų138.266%0.65776%0.757SS**  trans78.6132.3174.9-48.2178.2-177.271.80115.6
1044S31.3Very low33.2Very low107 Ų107134.6 Ų134.675%0.74875%0.751SS**  cis-162.4112.3-9.3174.80000108
1045Y27.6Very low33.2Very low190 Ų190136.4 Ų136.475%0.74575%0.754SS**  88.8129.371.2-95.6-63.5000116.4
1046H33.2Very low33.3Very low158 Ų158132.9 Ų132.973%0.73175%0.753SS**  trans67.6109.6159.1-71.3-64.8000122.9
1047P40.4Very low33Very low118 Ų118131.8 Ų131.877%0.76675%0.747SS**  trans-93.3177.5139.838.7-32.3000112.1
1048A34Very low32.8Very low94 Ų94137.7 Ų137.778%0.77776%0.758SS**  trans66158.4173.200000117
1049E34.1Very low32.8Very low169 Ų169138.3 Ų138.379%0.7976%0.757SS**  cis-165.6152.9-45.4-136.7-175.4-136.200108.8
1050N33.4Very low33.1Very low124 Ų124136.3 Ų136.366%0.66375%0.752SS**  trans66.8138.4158.2-81.8-60.4000123.6
1051L34.4Very low32.8Very low146 Ų146140.6 Ų140.676%0.76476%0.755SS**  trans66.798.8147.3-66.5166.7000123
1052D31.1Very low32.8Very low158 Ų158137.7 Ų137.785%0.84575%0.75SS**  65.9159.9121.7-110-39.8000124.4
1053A31.7Very low33Very low79 Ų79139.7 Ų139.765%0.65376%0.756SS**  trans75.491.9162.200000122.3
1054S30.5Very low32.6Very low99 Ų99140 Ų14069%0.69276%0.764SS**  91.6150.2116.782.60000123.6
1055H37.1Very low32.6Very low185 Ų185142.7 Ų142.786%0.85677%0.765SS**  trans65.3142.3161.4-62.6-67.2000121.7
1056G34.4Very low32.7Very low68 Ų68138.4 Ų138.470%0.70176%0.763SS**  trans107.9103.7-177.700000112.5
1057I29.8Very low32.7Very low150 Ų150136.5 Ų136.577%0.76976%0.764SS**  cis84.3111.537.9-54.7179.2000113.9
1058K28.3Very low32Very low199 Ų199140.8 Ų140.887%0.86577%0.771SS**  trans62.485.3163.1-67.1172-177.8177.80119.4
1059S34.3Very low32Very low106 Ų106145.8 Ų145.874%0.74178%0.778SS**  -155.1153.8120.7480000109.1
1060D34.8Very low31.8Very low151 Ų151144.8 Ų144.881%0.80778%0.776SS**  trans-87.9114-169.4-61.8-65.6000111
1061K30.2Very low31.5Very low176 Ų176147.8 Ų147.877%0.76578%0.784SS**  56.8109.973.3-62.4177.6-179.7177.20110.7
1062T33.8Very low31.4Very low121 Ų121150.4 Ų150.474%0.74279%0.789SS**  cis-158.2144.147.1390000114.3
1063K31.4Very low31.2Very low184 Ų184147.4 Ų147.480%0.878%0.781SS**  trans47.4114.9143.6-59.5-179.7179.8-177.70118.3
1064L29.9Very low31Very low157 Ų157153 Ų15382%0.82279%0.791SS**  53.8127.159.4-54.6165.4000112.5
1065H30.8Very low31Very low165 Ų165156.5 Ų156.576%0.76479%0.793SS**  cis-158.2151.312.5-165.9-97.2000111.9
1066S28.6Very low30.8Very low100 Ų100154.3 Ų154.370%0.69978%0.783SS**  trans67.816716978.10000116.9
1067P34.5Very low30.5Very low118 Ų118156.9 Ų156.977%0.76678%0.777SS**  trans-86146.3-14333.1-37.7000115.8
1068F25.6Very low30.7Very low207 Ų207157 Ų15791%0.90877%0.772SS**  trans-134138.5160.5-101.9-90.1000111.1
1069H33.6Very low31.2Very low199 Ų199154.2 Ų154.292%0.92177%0.766SS**  trans-71.9140.7-177.1-93.7-84.6000113
1070I30.2Very low31.2Very low148 Ų148153.8 Ų153.876%0.75976%0.763SS**  trans-105124.5173.2-83.3175.5000110.6
1071F26.5Very low31.2Very low187 Ų187151.9 Ų151.982%0.8276%0.757SS**  trans40110.2151.5-73.8-108000120.5
1072K31.8Very low31.5Very low201 Ų201150.7 Ų150.787%0.87475%0.754SS**  177.4151.6112.2-93.2159.1-174.1176.30109.7
1073S26.9Very low31.6Very low96 Ų96155.5 Ų155.567%0.67176%0.758SS**  cis-176.6147-32.951.50000108.3
1074K28.7Very low31.8Very low197 Ų197152.1 Ų152.186%0.85775%0.753SS**  trans73.6102.3163.9-65.4178.3177.2176.60119.8
1075K29.5Very low32Very low171 Ų171153.1 Ų153.174%0.74375%0.75SS**  89.495.2107.1-163-163.6-177.4-161.50119.3
1076H33Very low31.9Very low140 Ų140151.3 Ų151.365%0.64875%0.751SS**  162.9154.6123.4-90-80.2000107.5
1077E29.1Very low32Very low121 Ų121153.7 Ų153.757%0.56575%0.754SS**  cis-171.1142.8-31.8172.1171.8168.700107.8
1078K33.2Very low32Very low154 Ų154155.1 Ų155.167%0.6776%0.755SS**  trans68127.5163.5-80.9168.3-178142.90121.8
1079D39Very low32.2Very low140 Ų140148.7 Ų148.775%0.74974%0.741SS**  trans69.2138.1132.3-50.8-15.9000121.2
1080S34.8Very low32.2Very low96 Ų96146.3 Ų146.367%0.67173%0.734SS**  cis-156108.5-13.3167.30000114.2
1081V33.7Very low32.5Very low112 Ų112145.1 Ų145.168%0.67973%0.73SS**  trans44.1138.2131.6-151.20000122.6
1082H37.9Very low32.8Very low150 Ų150143.9 Ų143.969%0.69473%0.727SS**  trans119.1124.5154.7-6495.2000114.1
1083R36Very low32.8Very low222 Ų222140.4 Ų140.484%0.83872%0.716SS**  75.413854.6-86.1-172.2157.6-172.5-4.7112.8
1084V34.2Very low33Very low113 Ų113140.3 Ų140.369%0.68572%0.715SS**  cis-165.4171.4-13.893.80000109.7
1085K34.3Very low33.2Very low178 Ų178141.2 Ų141.277%0.77471%0.713SS**  trans21.3122.3162.3-63.3178.4-178.7-174.70119.5
1086V29.9Very low33.5Very low128 Ų128140.2 Ų140.278%0.77672%0.716SS**  74.2104.166.9174.40000114.1
1087I30.4Very low33.3Very low149 Ų149139.2 Ų139.276%0.76472%0.72SS**  trans81.6124.7148-70.4171.2000120.9
1088D33.6Very low33.7Very low148 Ų148142.3 Ų142.379%0.79173%0.734SS**  trans67.5140.4151.8-89-49000127.1
1089A29.3Very low33.8Very low73 Ų73144.1 Ų144.160%0.60374%0.742SS**  trans48.8127.414000000122.9
1090N35.2Very low33.7Very low148 Ų148142.9 Ų142.979%0.79174%0.742SS**  trans44.196132.6-56.7-7.6000119.1
1091D35.6Very low33.6Very low124 Ų124144.8 Ų144.866%0.66375%0.745SS**  -151.9134.9103-94.8-31.7000107.7
1092Q33.6Very low33.7Very low161 Ų161144.4 Ų144.475%0.75274%0.743SS**  68158.463.8-65.4-159.796.700114.9
1093I31.2Very low33.4Very low128 Ų128143.4 Ų143.466%0.65674%0.742SS**  trans64.682172.5-55128.1000112.4
1094S31.4Very low33.2Very low93 Ų93139.8 Ų139.865%0.6574%0.74SS**  70.8124.481.4-178.70000114.7
1095R32.6Very low33.1Very low216 Ų216140.3 Ų140.382%0.81574%0.743SS**  trans-168.3156.2140.4-98.8144.4-139.9-149.42.6110.5
1096N36.5Very low32.8Very low151 Ų151139.8 Ų139.881%0.80774%0.743SS**  trans57.475.8170-55.89.7000112.1
1097T28.4Very low32.8Very low118 Ų118141.8 Ų141.872%0.72474%0.743SS**  cis58.98535.7-43.10000112.4
1098E36.4Very low32.7Very low186 Ų186138.8 Ų138.887%0.86974%0.736SS**  trans-149.1122.2134.8-125.1167.3-165.600110.4
1099K36.4Very low32.7Very low192 Ų192139.3 Ų139.384%0.83574%0.737SS**  trans-102131.8151.9-71.4-177.5176.1-176.80104.2
1100P37.4Very low33.2Very low114 Ų114140.8 Ų140.874%0.7474%0.741SS**  -129.9150.988.236.8-27.9000112.5
1101N32.6Very low33.1Very low137 Ų137141.3 Ų141.373%0.73374%0.743SS**  cis8313924.7-160.939.4000115.2
1102V34.8Very low32.8Very low104 Ų104138.2 Ų138.263%0.6374%0.741SS**  trans67.693175.9-161.20000116.5
1103D32.3Very low32.9Very low129 Ų129138 Ų13869%0.6975%0.751SS**  27.8141.8119.7-42.5-40.5000121.4
1104N30.5Very low32.9Very low146 Ų146135 Ų13578%0.78175%0.752SS**  trans72.3153.7163.4-48.5-56.2000114.9
1105T32Very low33.1Very low124 Ų124142.2 Ų142.276%0.76176%0.764SS**  cis-142.616517.7-41.30000111.2
1106H29Very low32.9Very low166 Ų166139.5 Ų139.577%0.76977%0.766SS**  trans-46.6141.1160.5-70.1-112.4000111.6
1107H30.6Very low32.8Very low170 Ų170141.9 Ų141.979%0.78777%0.769SS**  -164.6133.4116-93.8-49.1000112.8
1108S27.8Very low33Very low86 Ų86143 Ų14360%0.60178%0.776SS**  47.8126.3125.7-44.50000119.9
1109I34.3Very low32.7Very low159 Ų159137.3 Ų137.382%0.81577%0.767SS**  60.3126.560-59171.3000110.5
1110P39.2Very low32.4Very low105 Ų105132.6 Ų132.668%0.68276%0.758SS**  cis-129.9-146.924.236.7-15000114.3
1111D33.6Very low32.1Very low158 Ų158136.4 Ų136.485%0.84576%0.763SS**  trans87124.7166.8-58.4-19.7000118.1
1112G28.5Very low31.8Very low59 Ų59133.5 Ų133.561%0.60875%0.754SS**  cis176.8175.8-5.500000113.7
1113T35.7Very low31.6Very low157 Ų157137.8 Ų137.896%0.96376%0.764SS**  trans58.6133174.558.50000118.1
1114G31.5Very low31.5Very low66 Ų66140.7 Ų140.768%0.6877%0.77SS**  cis161.6170.4-5.600000112.5
1115R34.4Very low31.4Very low243 Ų243143 Ų14392%0.91777%0.773SS**  trans69.397.9179.7-54.4175179.4171.10.8113
1116N29.6Very low31.2Very low159 Ų159142.7 Ų142.785%0.8577%0.771SS**  45.3113.960.9-69.6-36000115.1
1117K33.7Very low31.4Very low201 Ų201143.1 Ų143.187%0.87477%0.771SS**  -164.8124.9124.2-106.6175.5-177.6-177.30112.6
1118V33Very low31.2Very low142 Ų142139.7 Ų139.786%0.86177%0.766SS**  trans47122142.3-173.60000119.2
1119G30.7Very low31.7Very low66 Ų66144.1 Ų144.168%0.6878%0.776SS**  cis140.3-179.3-13.900000116.1
1120S29.4Very low31.8Very low94 Ų94144 Ų14466%0.65777%0.772SS**  trans76.6114.9160.177.30000121.3
1121K30.6Very low31.5Very low194 Ų194148.4 Ų148.484%0.84378%0.781SS**  trans77.9150141.9-58.8155-174169.30119.2
1122S27.5Very low31.3Very low76 Ų76150.4 Ų150.453%0.53178%0.782SS.*  cis-175.6151.7-25.863.70000111.2
1123K29.4Very low31.7Very low194 Ų194153.4 Ų153.484%0.84379%0.791SS**  trans70.5148.9166-47.1148.7-173173.50112.9
1124K31Very low31.5Very low190 Ų190156.1 Ų156.183%0.82678%0.783SS**  cis-124.8146.69.6-84.1165.6179166.30108.9
1125K28.2Very low31.5Very low194 Ų194158.8 Ų158.884%0.84378%0.78SS**  53.813977.1-84-166.2177.2-173.20114.3
1126V27.9Very low31.3Very low117 Ų117154.2 Ų154.271%0.70977%0.768SS**  cis-176.2170.4-19.8104.60000108.8
1127K33.2Very low31.2Very low176 Ų176150 Ų15077%0.76576%0.762SS**  trans81.5131-177.5-57.5170.7-179.9-179.10114.1
1128S26.4Very low31Very low98 Ų98144.3 Ų144.369%0.68576%0.76SS**  cis87.696.61988.50000116.7
1129H38.7Very low30.8Very low178 Ų178146.8 Ų146.882%0.82476%0.762SS**  trans-144.3165.8148.6-88.8-68.8000110.9
1130H36.2Very low30.9Very low158 Ų158150.4 Ų150.473%0.73177%0.77SS**  trans-73.4156.8-149.8-62.7-60.1000120.4
1131K33.3Very low31.1Very low197 Ų197150.3 Ų150.386%0.85777%0.77SS**  trans65.3116.5136.3-74.6171.7-178.4-174.80121.4
1132K29.4Very low31.3Very low200 Ų200147.2 Ų147.287%0.8777%0.768SS**  trans-68.2170.6143.1-66.6-177176.3-176.40110.1
1133P35.9Very low31.3Very low122 Ų122149.8 Ų149.879%0.79278%0.775SS**  cis-127-152.210.835.5-11000111.7
1134R31.4Very low31.4Very low214 Ų214148.1 Ų148.181%0.80877%0.77SS**  cis-158.4119.78.3-156.5-172.6172178.5-1.8113.4
1135I31.7Very low31.8Very low121 Ų121146.7 Ų146.762%0.62177%0.77SS**  trans53.7118.5138-61.4176.8000121.6
1136F30.5Very low32.1Very low148 Ų148144.5 Ų144.565%0.64977%0.766SS**  trans54145.5144.8-74.1-122.6000120.7L65L65-F1136 HydrophobicContact CB-CE2 4.32Å; L65-F1136 HydrophobicContact CB-CZ 4.05Å
1137G27.7Very low32.1Very low71 Ų71143 Ų14373%0.73276%0.761SS**  cis-132.5174.7-7.300000110.3
1138G29.4Very low32.2Very low80 Ų80141.2 Ų141.283%0.82576%0.76SS**  cis109.4127.520.900000109.4
1139Q29.3Very low32.4Very low194 Ų194142.5 Ų142.591%0.90776%0.764SS**  cis-159.8134.92.8-160.3177.118.200108.9
1140V32.5Very low32.6Very low142 Ų142139.6 Ų139.686%0.86176%0.761SS**  trans-141.6123.8171.7-179.80000109.7
1141S33.1Very low32.4Very low93 Ų93139.3 Ų139.365%0.6576%0.761SS**  trans-83.3115.5170.347.80000109.6
1142T33.6Very low32.4Very low129 Ų129137 Ų13779%0.79175%0.751SS**  61.498.281.964.80000113.8
1143N29.2Very low32.5Very low130 Ų130134 Ų13470%0.69574%0.744SS**  trans-81.9174.7167.2-65.4-1.6000112.1
1144E31Very low32.6Very low158 Ų158131 Ų13174%0.73872%0.721SS**  trans64124.7147.3-71.9145.1-121.100119.4
1145I39.4Very low32.6Very low160 Ų160125.4 Ų125.482%0.82170%0.704SS**  -170.9110.3109.8-91.1154000110.7
1146I35.3Very low32.5Very low148 Ų148124.1 Ų124.176%0.75970%0.695SS**  trans28.7105.6133.9-54178000119.2
1147S27.5Very low32.4Very low86 Ų86123.9 Ų123.960%0.60170%0.696SS**  trans33.7161.7132.872.80000125.7
1148D34.4Very low32.7Very low138 Ų138123.2 Ų123.274%0.73868%0.676SS**  trans78.4132.5152-59.9-41.6000120
1149T31.2Very low33Very low125 Ų125130.3 Ų130.377%0.76768%0.679SS**  cis-144-145.7-12.2380000109.7
1150P43.1Very low33.2Very low117 Ų117127.6 Ų127.676%0.7667%0.667SS**  -117.1157.9-108.237.1-20.1000115.3
1151M31.6Very low32.9Very low152 Ų152128.3 Ų128.375%0.74967%0.665SS**  trans-146.8126.1165.6-120.1-169.8-175.300115.3
1152K34.4Very low32.8Very low149 Ų149129.5 Ų129.565%0.64867%0.669SS**  trans48.2113.5151.1-68.4-178.6176.4-174.60120.6
1153L30.8Very low32.6Very low137 Ų137129.7 Ų129.772%0.71766%0.664SS**  trans-60.8137.7151.5-178.3160.7000110.3H1155L1153-H1155 WeakPolarHBondContact CD2-CE1 3.42Å
1154D37Very low32.6Very low58 Ų58124.2 Ų124.231%0.3164%0.638SS.*  trans-164.3127.4-175.6-108.7-2000106.7C48 K49 K50C48-D1154 VanDerWaalsContact C-CG 3.45Å; C48-D1154 HydrophobicContact CB-CB 4.5Å; C48-D1154 WeakPolarHBondContact CB-OD1 3.22Å; C48-D1154 CarbonylContact O-C 3.01Å; C48-D1154 WeakPolarHBondContact O-CA 3.11Å; C48-D1154 WeakPolarHBondContact O-CB 3.23Å; C48-D1154 PolarHBondContact SG-OD1 3.01Å; K49-D1154 WeakPolarHBondContact CA-OD2 3.17Å; K49-D1154 PolarHBondContact N-OD2 3.07Å; K50-D1154 PolarHBondContact N-OD2 2.88Å
1155H31.4Very low32.5Very low98 Ų98123.5 Ų123.545%0.45464%0.638SS.*  trans-105.8-132.6-166.4-37.367.1000114.6P46 E47 C48 L1153P46-H1155 WeakPolarHBondContact O-CB 3.4Å; P46-H1155 PolarHBondContact O-CD2 3.49Å; P46-H1155 PolarHBondContact O-ND1 3.14Å; E47-H1155 VanDerWaalsContact C-N 3.32Å; E47-H1155 WeakPolarHBondContact O-CB 2.88Å; E47-H1155 PolarHBondContact O-N 3.11Å; E47-H1155 PolarHBondContact O-ND1 3.5Å; C48-H1155 CarbonylContact O-C 3.46Å; C48-H1155 PolarHBondContact O-N 2.91Å; L1153-H1155 WeakPolarHBondContact CD2-CE1 3.42Å
1156H31.2Very low32Very low93 Ų93117.6 Ų117.643%0.43161%0.611SS.*  trans75.185.8172.3-103.4-46.6000117.9D45 E47 C48D45-H1156 PolarHBondContact O-CE1 2.84Å; D45-H1156 PolarHBondContact O-ND1 2.87Å; D45-H1156 VanDerWaalsContact OD2-CA 3.27Å; D45-H1156 WeakPolarHBondContact OD2-CA 3.26Å; D45-H1156 PolarHBondContact OD2-N 3.43Å; E47-H1156 WeakPolarHBondContact CA-CD2 3.16Å; E47-H1156 PolarHBondContact N-CD2 3.37Å; E47-H1156 PolarHBondContact N-NE2 3.39Å; C48-H1156 PolarHBondContact N-CD2 3.21Å
1157E28Very low31.5Very low143 Ų143119.5 Ų119.567%0.66861%0.614SS**  trans-61.9152.9132.8-55.8-175.9161.100111.7D45D45-E1157 HydrophobicContact CB-CB 3.71Å; D45-E1157 HydrophobicContact CB-CG 4.21Å; D45-E1157 PolarHBondContact OD2-N 3.46Å
1158D32.8Very low31.6Very low58 Ų58118.6 Ų118.631%0.3161%0.608SS.*  trans163.999.8135.1-93.7-10.5000109.5L43L43-D1158 WeakPolarHBondContact CD2-OD1 3.22Å
1159Y36Very low31.5Very low228 Ų228118.1 Ų118.189%0.89461%0.605SS**  trans-15589.7157.3-103.3-65.5000112.1
1160H33Very low31.4Very low138 Ų138119.3 Ų119.364%0.63960%0.602SS**  trans12.3120.1148.9-67.3-81.6000119.2L43L43-H1160 WeakPolarHBondContact CD1-CE1 3.2Å; L43-H1160 WeakPolarHBondContact CD1-ND1 3.23Å
1161D28Very low30.8Very low156 Ų156120.3 Ų120.383%0.83460%0.601SS**  trans-51.4138.8137.5-91.7-51.2000110.6
1162V31Very low30.7Very low118 Ų118118.6 Ų118.672%0.71560%0.599SS**  -178.2106.8128.8160.90000110.1
1163I29.3Very low30.7Very low134 Ų134118 Ų11869%0.68760%0.603SS**  trans39.9107.8142.7-46.1173.2000119.3E399 K400 L1165E399-I1163 CarbonylContact O-C 3.41Å; K400-I1163 CarbonylContact O-C 3.51Å; I1163-L1165 HydrophobicContact CG2-CD1 4.49Å; I1163-L1165 HydrophobicContact CG2-CG 4.33Å
1164G27.9Very low30.5Very low15 Ų15118.2 Ų118.216%0.15560%0.604CS.*  trans-155.2127.214400000112.2K400 K401 V402 S1166K400-G1164 VanDerWaalsContact C-CA 3.46Å; K400-G1164 VanDerWaalsContact O-CA 3.22Å; K400-G1164 WeakPolarHBondContact O-CA 3.12Å; K400-G1164 PolarHBondContact O-N 3.03Å; K401-G1164 CarbonylContact C-O 3.48Å; K401-G1164 WeakPolarHBondContact CA-O 3.05Å; K401-G1164 PolarHBondContact N-O 3.28Å; V402-G1164 PolarHBondContact N-O 3.38Å; G1164-S1166 VanDerWaalsContact C-N 3.25Å; G1164-S1166 PolarHBondContact O-N 2.83Å
1165L28.5Very low29.9Very low143 Ų143120.6 Ų120.675%0.74962%0.621SS**  49.345.957.5-50.1-174.3000112.4I1163 F1167I1163-L1165 HydrophobicContact CG2-CD1 4.49Å; I1163-L1165 HydrophobicContact CG2-CG 4.33Å; L1165-F1167 PolarHBondContact O-N 3.06Å
1166S29.4Very low29.7Very low35 Ų35123 Ų12325%0.24564%0.636CS.*  trans-68.8108153.1179.60000108.8K403 G1164K403-S1166 VanDerWaalsContact CE-OG 3.31Å; K403-S1166 WeakPolarHBondContact CE-OG 3.1Å; K403-S1166 PolarHBondContact NZ-OG 2.95Å; G1164-S1166 VanDerWaalsContact C-N 3.25Å; G1164-S1166 PolarHBondContact O-N 2.83Å
1167F25.7Very low29.4Very low189 Ų189123.2 Ų123.283%0.82964%0.644SS**  trans-52150.4159.3-66.2-97.4000110.6K403 L1165K403-F1167 PolarHBondContact NZ-O 3.44Å; L1165-F1167 PolarHBondContact O-N 3.06Å
1168S29.9Very low29.3Very low67 Ų67122.5 Ų122.547%0.46965%0.652SS.*  trans-165.2129.1159.5-95.40000106.9K403K403-S1168 PolarHBondContact NZ-OG 2.97Å
1169D31.6Very low28.9Very low128 Ų128130.6 Ų130.668%0.68468%0.678SS**  41.9130.9113.8-27.5-45.3000117.6
1170H28.9Very low28.4Very low150 Ų150130.9 Ų130.969%0.69468%0.678SS**  cis-175149.4-9.5-129.9-84.6000105.6
1171N30.2Very low28Very low138 Ų138129.8 Ų129.874%0.73869%0.686SS**  trans66163.3169.4-42.2-21.8000113.7
1172T30.4Very low28Very low116 Ų116127.9 Ų127.971%0.71268%0.682SS**  cis-153.6146-23.912.60000106.3
1173D32.8Very low27.8Very low136 Ų136127 Ų12773%0.72768%0.681SS**  trans59.2121.3178.5-59-36.5000116.2
1174L27.1Very low27.7Very low142 Ų142131 Ų13174%0.74369%0.693SS**  59.9120.760-52.6175.1000110.7
1175T25.5Very low27.6Very low108 Ų108136.9 Ų136.966%0.66372%0.72SS**  cis-163.3154.76.620000110.9
1176L26.5Very low27.6Very low148 Ų148140.8 Ų140.878%0.77573%0.725SS**  trans54134.9146.2-59.7169.6000119.6
1177T25.8Very low27.6Very low97 Ų97145.7 Ų145.760%0.59575%0.749SS**  cis-165.9144.7-16.26.20000106.8R1179T1177-R1179 VanDerWaalsContact C-N 3.33Å; T1177-R1179 PolarHBondContact O-N 2.97Å
1178P25.1Very low27.7Very low129 Ų129141.1 Ų141.184%0.83874%0.738SS**  trans-73.482.3174.730.3-35000111.5R1180P1178-R1180 VanDerWaalsContact C-N 3.28Å; P1178-R1180 PolarHBondContact O-N 2.95Å
1179R24.8Very low27.7Very low228 Ų228143.3 Ų143.386%0.8675%0.753SS**  trans-73.782.8172.1-84.7-168174.6-179.30.6111.4T1177 S1181T1177-R1179 VanDerWaalsContact C-N 3.33Å; T1177-R1179 PolarHBondContact O-N 2.97Å; R1179-S1181 PolarHBondContact O-N 2.93Å
1180R25.7Very low27.6Very low233 Ų233143.3 Ų143.388%0.87975%0.752SS**  trans15103.8134-166.3-178-155.81646.4113.8P1178 P1182P1178-R1180 VanDerWaalsContact C-N 3.28Å; P1178-R1180 PolarHBondContact O-N 2.95Å; R1180-P1182 VanDerWaalsContact O-CD 3.23Å; R1180-P1182 WeakPolarHBondContact O-CD 3.23Å
1181S25Very low27.4Very low116 Ų116147.2 Ų147.281%0.81176%0.761SS**  trans-53.3115.5-175.236.70000113.4R1179R1179-S1181 PolarHBondContact O-N 2.93Å
1182P27.9Very low27.1Very low115 Ų115149.3 Ų149.375%0.74776%0.763SS**  trans-78139.6166.1-9.127.5000110R1180R1180-P1182 VanDerWaalsContact O-CD 3.23Å; R1180-P1182 WeakPolarHBondContact O-CD 3.23Å
1183S26.6Very low27Very low100 Ų100148.3 Ų148.370%0.69976%0.757SS**  trans-34.4138.8158.246.70000114L1185S1183-L1185 PolarHBondContact O-N 3.18Å
1184K25.8Very low26.6Very low217 Ų217153.4 Ų153.494%0.94377%0.766SS**  trans-62.979.7154.9-71.7-179.7176.5179.30109.3R1186K1184-R1186 PolarHBondContact O-N 3.32Å
1185L27.6Very low26.7Very low139 Ų139154.7 Ų154.773%0.72877%0.768SS**  trans-68.4126156.8-159.476.1000105.9S1183 D1187S1183-L1185 PolarHBondContact O-N 3.18Å; L1185-D1187 PolarHBondContact O-N 2.79Å
1186R26.6Very low26.7Very low225 Ų225153.4 Ų153.485%0.84978%0.776SS**  trans-65.2126.6158.4-69.7178.8173.5-168.8-2.1105.9K1184K1184-R1186 PolarHBondContact O-N 3.32Å
1187D30.6Very low26.8Very low138 Ų138150.6 Ų150.674%0.73878%0.775SS**  trans-117.6108.3136.8-121.4-41.2000106.9L1185 S1189L1185-D1187 PolarHBondContact O-N 2.79Å; D1187-S1189 PolarHBondContact O-N 3.48Å
1188P28.5Very low27Very low93 Ų93156.7 Ų156.760%0.60479%0.787SS**  trans-68.697.7157.217.1-2000105.1I1190P1188-I1190 PolarHBondContact O-N 2.77Å
1189S29.1Very low27.3Very low113 Ų113158.4 Ų158.479%0.7978%0.784SS**  trans-6872.7165.561.70000108.8D1187D1187-S1189 PolarHBondContact O-N 3.48Å
1190I29.7Very low27.6Very low129 Ų129153.3 Ų153.366%0.66278%0.78SS**  trans15.7107.7159.3-67.8154.6000112.5P1188 K1192P1188-I1190 PolarHBondContact O-N 2.77Å; I1190-K1192 PolarHBondContact O-N 3.31Å
1191R23.3Very low27.9Very low232 Ų232152.9 Ų152.988%0.87578%0.78SS**  trans-48.9119.8150.5-73.5-173.3179.3-155.5-0.1105.4T1193R1191-T1193 PolarHBondContact O-N 3.44Å
1192K25.7Very low28Very low181 Ų181150.8 Ų150.879%0.78777%0.765SS**  trans-68.176.7-179.3-66.3-178.1179.3-179.10109.8I1190 W1194I1190-K1192 PolarHBondContact O-N 3.31Å; K1192-W1194 PolarHBondContact O-N 3.25Å
1193T26.6Very low27.9Very low95 Ų95152 Ų15258%0.58377%0.765SS**  trans-64.1115.5159.941.40000106.2R1191 H1195R1191-T1193 PolarHBondContact O-N 3.44Å; T1193-H1195 PolarHBondContact O-CD2 3.5Å; T1193-H1195 PolarHBondContact O-N 3.32Å
1194W26.1Very low28.1Very low243 Ų243156.2 Ų156.292%0.9277%0.771SS**  trans-71.793.5-172-74.472.6000109.8K1192 G1196K1192-W1194 PolarHBondContact O-N 3.25Å; W1194-G1196 VanDerWaalsContact C-N 3.33Å; W1194-G1196 PolarHBondContact O-N 2.76Å
1195H28.5Very low28.2Very low170 Ų170151.6 Ų151.679%0.78776%0.761SS**  trans-70.295.3162.7-66.4-74.3000107.8T1193 A1197T1193-H1195 PolarHBondContact O-CD2 3.5Å; T1193-H1195 PolarHBondContact O-N 3.32Å; H1195-A1197 PolarHBondContact O-N 3.26Å
1196G24.4Very low28.4Very low81 Ų81148.5 Ų148.584%0.83576%0.762SS**  trans-63.4121.4178.300000110.8W1194W1194-G1196 VanDerWaalsContact C-N 3.33Å; W1194-G1196 PolarHBondContact O-N 2.76Å
1197A29.9Very low28.4Very low89 Ų89143.4 Ų143.474%0.73676%0.756SS**  trans-140.8119.3172.100000109.3H1195H1195-A1197 PolarHBondContact O-N 3.26Å
1198R29.2Very low28.4Very low224 Ų224143.2 Ų143.285%0.84576%0.755SS**  trans57.897.7169.3-68.4-170.1160.4178.3-4.7118.4
1199E31.2Very low28.3Very low166 Ų166145.6 Ų145.678%0.77676%0.762SS**  61.4143.3108.5-68.6164.6154.700120.3
1200P32.1Very low28.3Very low120 Ų120145.1 Ų145.178%0.77976%0.759SS**  trans-89.5134.9-171.835.2-34000113.8
1201Y31.2Very low28.3Very low225 Ų225145.5 Ų145.588%0.88276%0.763SS**  trans-86.2106142.4-86.8-99.2000106.1
1202S27.7Very low28.8Very low72 Ų72142.7 Ų142.750%0.50376%0.759SS.*  76.110686.274.90000112.3
1203D26.7Very low29.1Very low139 Ų139139.4 Ų139.474%0.74375%0.751SS**  trans46.3116.2133.9-41.4-42.6000118.8
1204F30.1Very low29.1Very low190 Ų190143 Ų14383%0.83376%0.758SS**  -171.9112.999.3-113.1-100.9000111.2
1205V27.8Very low29.4Very low120 Ų120141.3 Ų141.373%0.72775%0.753SS**  31.1115.8125.7-174.90000117.9
1206G30.8Very low29.2Very low73 Ų73138.9 Ų138.975%0.75375%0.75SS**  trans-149.458.9175.600000113.5
1207T26.6Very low29.6Very low118 Ų118143 Ų14372%0.72475%0.752SS**  trans-95.5100.3-175.641.10000113.9
1208L30.5Very low29.4Very low134 Ų134143.5 Ų143.570%0.70275%0.746SS**  trans-129.7138.4150.5-70.4169.7000107.5K663K663-L1208 PolarHBondContact NZ-O 3.13Å
1209N27.3Very low29.9Very low143 Ų143141.3 Ų141.377%0.76575%0.745SS**  cis73.1146.534.8-65.9-0000114.6
1210S28.9Very low29.9Very low104 Ų104139.9 Ų139.973%0.72774%0.743SS**  trans69.9139.1-171.4-162.20000114.8
1211D30.3Very low29.8Very low137 Ų137139.9 Ų139.973%0.73374%0.741SS**  cis-162.1-165.7-25.4-100.7-46.9000108.6
1212Q33.2Very low29.7Very low172 Ų172134.3 Ų134.380%0.80474%0.735SS**  trans77.5155.3160.3-51.1-158.1-87.200118
1213D32.3Very low29.9Very low113 Ų113137.5 Ų137.560%0.60475%0.751SS**  cis-168.6140.3-31.7-105.3-42.7000108.2
1214K26.9Very low29.8Very low170 Ų170135.5 Ų135.574%0.73975%0.748SS**  trans59.6164162.7-63.1168.1179.1164.20115.3
1215Y31.2Very low29.7Very low208 Ų208136.3 Ų136.382%0.81675%0.747SS**  cis-124.6156.89.9-83.9-98.6000112.6
1216T26Very low29.7Very low118 Ų118137.5 Ų137.572%0.72475%0.748SS**  trans-72.4141.2165.746.80000111.9
1217L31.2Very low29.6Very low168 Ų168141.7 Ų141.788%0.8875%0.748SS**  trans-138.7129.3135.9-121.1173000107.7
1218T26.9Very low29.7Very low100 Ų100142.1 Ų142.161%0.61375%0.753SS**  trans-132.6121.5-172.3-51.50000107.8
1219E38.8Very low29.4Very low177 Ų177144 Ų14483%0.82776%0.758SS**  trans-167.4119160.7-102.3155.8-138.600103.4
1220D30.6Very low29.5Very low137 Ų137141.9 Ų141.973%0.73376%0.755SS**  64.1132.658.5-64.3-26.6000112.6
1221V31.2Very low29.3Very low119 Ų119144 Ų14472%0.72176%0.758SS**  cis-149.9161.9-5.1106.10000110.5
1222S28.6Very low29.2Very low109 Ų109143.3 Ų143.376%0.76276%0.759SS**  trans-74.6133.3177.856.40000114.1
1223V32.9Very low28.8Very low138 Ų138145.2 Ų145.284%0.83676%0.764SS**  trans-139.1143.9155.8-173.30000109.7
1224S24.1Very low28.6Very low97 Ų97145.8 Ų145.868%0.67878%0.777SS**  trans-108.2-167.3-179.2-61.50000111.9
1225Y28.7Very low28.5Very low208 Ų208141.7 Ų141.782%0.81677%0.77SS**  trans106.6101.5159.7-72.5-93.8000120
1226L26.7Very low28.3Very low145 Ų145138.1 Ų138.176%0.75977%0.765SS**  trans72.1155.8131-67.2-178.1000122.7
1227Q29.1Very low28.4Very low161 Ų161139 Ų13975%0.75277%0.765SS**  trans-80.8157.8-178.4-60.2152.8-99.200112.1
1228P29.2Very low28.4Very low127 Ų127138.8 Ų138.883%0.82577%0.765SS**  -124.8153.5127.226.6-13.3000112.3
1229E24.3Very low28.4Very low172 Ų172139.1 Ų139.180%0.80477%0.772SS**  trans-87.2176176.1-60.4-167.2138.400113
1230S28Very low27.9Very low99 Ų99138.4 Ų138.469%0.69277%0.772SS**  trans103.7112.5143.783.30000119.8
1231N25.9Very low27.7Very low148 Ų148139.6 Ų139.679%0.79178%0.779SS**  78.5157.2128.8-70.2-31.5000123.1
1232T27.1Very low27.5Very low124 Ų124138.4 Ų138.476%0.76178%0.781SS**  trans66.29116237.70000119.8
1233K24.7Very low27.6Very low211 Ų211138.1 Ų138.192%0.91778%0.78SS**  30.799.2120.6-61175.9-178.8173.90116.6
1234S27.8Very low27.4Very low125 Ų125139.2 Ų139.287%0.87478%0.781SS**  trans-145.1157.6140.8-162.10000111.8
1235S25.6Very low27.5Very low84 Ų84143.6 Ų143.659%0.58779%0.788SS**  trans-91.9167.4-171.755.10000113.5
1236N27.6Very low27.4Very low133 Ų133141 Ų14171%0.71179%0.787SS**  trans80.6129.2154.9-57-21000118.1
1237N27.8Very low27.5Very low137 Ų137146.2 Ų146.273%0.73380%0.797SS**  trans60.893144-50.6-4.8000117.4
1238N30.8Very low27.4Very low164 Ų164149.7 Ų149.788%0.87780%0.803SS**  -163.4134.997.1-90.5-23.3000111.7
1239S26.6Very low27.3Very low107 Ų107148.4 Ų148.475%0.74880%0.797SS**  trans-88.9125.9163.751.40000109.2
1240L28.1Very low27.8Very low161 Ų161148.5 Ų148.584%0.84380%0.801SS**  trans-175.5118.7130.8-99.8160.5000111.2
1241N27.3Very low27.9Very low163 Ų163147.3 Ų147.387%0.87280%0.804SS**  trans-14.9124.2171-52.9-18.6000117.5
1242A26.6Very low28.2Very low93 Ų93146.7 Ų146.777%0.76980%0.801SS**  trans-117.6122.6161.300000110.5
1243S30.8Very low28.6Very low104 Ų104146.4 Ų146.473%0.72780%0.804SS**  trans47.4117.7149.7-52.20000121.2
1244D29.2Very low29Very low160 Ų160142.2 Ų142.286%0.85680%0.796SS**  trans-32.2127.9149.7-55.3-93.7000115
1245F25.9Very low29.5Very low189 Ų189145.6 Ų145.683%0.82980%0.795SS**  trans-155.3132149.9-99.2-66.5000113.2
1246L26.6Very low30Very low154 Ų154153.6 Ų153.681%0.80681%0.812SS**  trans62.397157.4-53.9175.5000119.6
1247R29.4Very low30.3Very low254 Ų254158.2 Ų158.296%0.95882%0.82SS**  -157.8142.4103.5-110172.8-170.2-130.8-0.6114.2
1248R27.1Very low30.7Very low235 Ų235156.6 Ų156.689%0.88782%0.817SS**  trans-80.3132.6-179.9-73.2176.2179.4165-0.1111.6
1249S26.8Very low30.9Very low99 Ų99159.8 Ų159.869%0.69282%0.817SS**  2.5140.4128.5560000119.7
1250I34.8Very low31.3Very low175 Ų175160.2 Ų160.290%0.89782%0.82SS**  -161.5145.7115.9-95.2150.1000107.5
1251G29.8Very low31.9Very low73 Ų73158.7 Ų158.775%0.75382%0.817SS**  trans-104.5177.2-167.700000115.4
1252N31.9Very low32.4Very low136 Ų136156.5 Ų156.573%0.72781%0.805SS**  trans-130.9109.7166.6-167.2-28.4000109.1T1254N1252-T1254 PolarHBondContact OD1-OG1 3Å; N1252-T1254 VanDerWaalsContact OD1-OG1 3.11Å
1253S34.5Very low33.4Very low117 Ų117161 Ų16182%0.81881%0.81SS**  trans-109.429.6-157.649.80000114.4K1255S1253-K1255 VanDerWaalsContact C-N 3.34Å; S1253-K1255 PolarHBondContact O-N 3.25Å
1254T34.6Very low34.3Very low123 Ų123165.1 Ų165.176%0.75581%0.811SS**  trans-83.912-165.942.70000116.4N1252N1252-T1254 PolarHBondContact OD1-OG1 3Å; N1252-T1254 VanDerWaalsContact OD1-OG1 3.11Å
1255K37.9Very low35.1Very low196 Ų196160.7 Ų160.785%0.85279%0.791SS**  trans-129.296.8175.9-69.4-177180176.50112S1253S1253-K1255 VanDerWaalsContact C-N 3.34Å; S1253-K1255 PolarHBondContact O-N 3.25Å
1256R36.2Very low36Very low252 Ų252155.1 Ų155.195%0.95177%0.774SS**PPolyproline II helixtrans-63.4140169-70.7-172.5176.5-164-0.1110.1
1257R33.4Very low37.5Very low230 Ų230154.5 Ų154.587%0.86878%0.779SS**PPolyproline II helixtrans-76.6153.7171.6-73.8-177.8175175.5-1.9111
1258P36.2Very low38.9Very low103 Ų103145.5 Ų145.567%0.66977%0.765SS**PPolyproline II helixtrans-62.9159.3169.328.1-34.8000111.6
1259W34.9Very low39.6Very low232 Ų232137.9 Ų137.988%0.87975%0.747SS**SBendtrans-96.2-3.9-146.5-9.2-60.9000115.6T1261W1259-T1261 PolarHBondContact O-N 2.89Å
1260S35.8Very low40.8Very low116 Ų116141.2 Ų141.281%0.81175%0.751SS**THydrogen-bonded Turntrans-81.137.3-172.662.80000114.4
1261T40Very low41.5Very low129 Ų129141 Ų14179%0.79174%0.744SS**THydrogen-bonded Turntrans-155.624.7179.1-27.70000113.1W1259W1259-T1261 PolarHBondContact O-N 2.89Å
1262L38.7Very low42.6Very low116 Ų116142.5 Ų142.561%0.60774%0.738SS**  trans-88.2130.8157.5-86.784.2000108.3Y1264L1262-Y1264 WeakPolarHBondContact CB-O 3.22Å; L1262-Y1264 PolarHBondContact O-N 2.93Å
1263E46.4Very low43.3Very low189 Ų189141.5 Ų141.588%0.88373%0.733SS**SBendtrans-68.7-18.4175.5-64.1176.9126.800112.7
1264Y50.1Low43.8Very low189 Ų189140.7 Ų140.774%0.74172%0.72SS**SBendtrans-133.2134.8173-70-86.9000110.4L1262L1262-Y1264 WeakPolarHBondContact CB-O 3.22Å; L1262-Y1264 PolarHBondContact O-N 2.93Å
1265P45.2Very low44.4Very low68 Ų68140.6 Ų140.644%0.44272%0.715SS.*PPolyproline II helixtrans-61.9149.8174.729.2-35.9000110.4C1269 F1271P1265-C1269 HydrophobicContact CB-CB 3.94Å; P1265-F1271 HydrophobicContact CB-CE2 4.3Å; P1265-F1271 HydrophobicContact CG-CE2 4.16Å
1266P45.9Very low44.8Very low72 Ų72141.4 Ų141.447%0.46871%0.714SS.*PPolyproline II helixtrans-56.6143.5-179.3-26.134.9000112.7G1268 C1269P1266-G1268 PolarHBondContact O-N 3.4Å; P1266-C1269 WeakPolarHBondContact O-CB 3.22Å; P1266-C1269 PolarHBondContact O-N 2.59Å
1267P57.5Low45.5Very low141 Ų141136 Ų13692%0.91670%0.701SS**THydrogen-bonded Turntrans-52.1127.9173.1-27.335.4000111.5
1268G58.3Low46Very low64 Ų64132 Ų13266%0.6669%0.69SS**THydrogen-bonded Turntrans100.1-13.2-171.600000114.9P1266 H1270P1266-G1268 PolarHBondContact O-N 3.4Å; G1268-H1270 VanDerWaalsContact C-N 3.35Å; G1268-H1270 PolarHBondContact O-CD2 2.91Å; G1268-H1270 PolarHBondContact O-N 2.9Å
1269C43.3Very low46.1Very low75 Ų75132.1 Ų132.151%0.50769%0.691SS.*  trans-75.287.8164.3-790000110.3P1265 P1266 F1271P1265-C1269 HydrophobicContact CB-CB 3.94Å; P1266-C1269 WeakPolarHBondContact O-CB 3.22Å; P1266-C1269 PolarHBondContact O-N 2.59Å; C1269-F1271 PolarHBondContact O-N 3.08Å
1270H51.9Low46.6Very low169 Ų169127.1 Ų127.178%0.78268%0.681SS**PPolyproline II helixtrans-71.3116.8163.4-62.5-86.4000108.6G1268 V1272G1268-H1270 VanDerWaalsContact C-N 3.35Å; G1268-H1270 PolarHBondContact O-CD2 2.91Å; G1268-H1270 PolarHBondContact O-N 2.9Å; H1270-V1272 PolarHBondContact O-N 2.89Å
1271F49Very low46.8Very low171 Ų171125.5 Ų125.575%0.7568%0.675SS**PPolyproline II helixtrans-68.2121.2160.4-90.8-97.1000107.6P1265 C1269P1265-F1271 HydrophobicContact CB-CE2 4.3Å; P1265-F1271 HydrophobicContact CG-CE2 4.16Å; C1269-F1271 PolarHBondContact O-N 3.08Å
1272V52.1Low46.9Very low104 Ų104125.3 Ų125.363%0.6367%0.668SS**PPolyproline II helixtrans-86.7118.3162.61790000105.6H1270 D1274H1270-V1272 PolarHBondContact O-N 2.89Å; V1272-D1274 PolarHBondContact O-N 2.88Å; V1272-D1274 VanDerWaalsContact O-N 3.13Å
1273D47Very low46.8Very low116 Ų116124.9 Ų124.962%0.6267%0.671SS**  trans-72.4102.6167.5-74.8-38.9000107.9D1275D1273-D1275 PolarHBondContact O-N 3.43Å
1274D46.4Very low46.4Very low100 Ų100122 Ų12254%0.53567%0.669SS.*G310 helixtrans-68.715.8176.2-71.2-34.2000113V1272 Y1276 M1277V1272-D1274 PolarHBondContact O-N 2.88Å; V1272-D1274 VanDerWaalsContact O-N 3.13Å; D1274-Y1276 PolarHBondContact O-N 3.33Å; D1274-Y1276 VanDerWaalsContact O-N 3.13Å; D1274-M1277 WeakPolarHBondContact O-CA 3.02Å; D1274-M1277 WeakPolarHBondContact O-CB 3.22Å; D1274-M1277 PolarHBondContact O-N 3.38Å
1275D47.2Very low45.9Very low121 Ų121118.7 Ų118.765%0.64767%0.668SS**G310 helixtrans-56.5-24.8172-83.70.9000112D1273 M1277 F1278 P1279D1273-D1275 PolarHBondContact O-N 3.43Å; D1275-M1277 PolarHBondContact O-N 2.89Å; D1275-F1278 CarbonylContact O-C 3.19Å; D1275-F1278 PolarHBondContact O-N 2.84Å; D1275-P1279 VanDerWaalsContact O-N 3.15Å
1276Y45Very low45.3Very low212 Ų212123.7 Ų123.783%0.83168%0.683SS**G310 helixtrans-65.7-18170.4-65.5-78.2000114.1D1274D1274-Y1276 PolarHBondContact O-N 3.33Å; D1274-Y1276 VanDerWaalsContact O-N 3.13Å
1277M52.1Low44.8Very low138 Ų138127.8 Ų127.868%0.6870%0.699SS**G310 helixtrans-85.4-14.7169.9-61.3-168.367.400112.8D1274 D1275D1274-M1277 WeakPolarHBondContact O-CA 3.02Å; D1274-M1277 WeakPolarHBondContact O-CB 3.22Å; D1274-M1277 PolarHBondContact O-N 3.38Å; D1275-M1277 PolarHBondContact O-N 2.89Å
1278F43.6Very low43.6Very low147 Ų147125.9 Ų125.965%0.64569%0.687SS**  trans-135.449.4180-60.2-77.7000113.8D1275 D1280 A1281D1275-F1278 CarbonylContact O-C 3.19Å; D1275-F1278 PolarHBondContact O-N 2.84Å; F1278-D1280 PolarHBondContact O-N 3.15Å; F1278-D1280 VanDerWaalsContact O-N 3.16Å; F1278-A1281 PolarHBondContact O-N 3.49Å
1279P37.4Very low42.6Very low106 Ų106127.9 Ų127.969%0.68869%0.691SS**THydrogen-bonded Turntrans-61.1-28.4178.327.6-35.9000112.1D1275D1275-P1279 VanDerWaalsContact O-N 3.15Å
1280D45.2Very low42.4Very low126 Ų126134.2 Ų134.267%0.67471%0.71SS**THydrogen-bonded Turntrans-108.467.6174.5-84.7-56.2000110.9F1278 L1282F1278-D1280 PolarHBondContact O-N 3.15Å; F1278-D1280 VanDerWaalsContact O-N 3.16Å; D1280-L1282 HydrophobicContact CB-CD2 4.11Å; D1280-L1282 HydrophobicContact CB-CG 4.08Å; D1280-L1282 PolarHBondContact O-N 3.01Å
1281A40.6Very low41.8Very low82 Ų82136.7 Ų136.768%0.67871%0.713SS**  trans-67.969.7159.300000110F1278 T1283F1278-A1281 PolarHBondContact O-N 3.49Å; A1281-T1283 PolarHBondContact O-N 3.49Å
1282L42.6Very low41.1Very low125 Ų125133.5 Ų133.565%0.65472%0.718SS**  trans-57.299.1-168.9-69.5171.9000112.3D1280D1280-L1282 HydrophobicContact CB-CD2 4.11Å; D1280-L1282 HydrophobicContact CB-CG 4.08Å; D1280-L1282 PolarHBondContact O-N 3.01Å
1283T36.2Very low40.4Very low107 Ų107133 Ų13366%0.65672%0.718SS**  trans-55.6137.2168.863.30000109.5A1281 T1285A1281-T1283 PolarHBondContact O-N 3.49Å; T1283-T1285 PolarHBondContact O-N 3.24Å
1284P38.8Very low40.4Very low130 Ų130135.6 Ų135.684%0.84472%0.724SS**THydrogen-bonded Turntrans-80.242.2-147.8-19.236.1000116.5
1285T38Very low40.4Very low118 Ų118139 Ų13972%0.72474%0.737SS**THydrogen-bonded Turntrans-111.4-5.4-169.458.50000114.3T1283T1283-T1285 PolarHBondContact O-N 3.24Å
1286K33.3Very low40.3Very low173 Ų173138.7 Ų138.775%0.75273%0.734SS**  trans-132.171.1177.5-67.2-176.3-177174.50111.5P1288K1286-P1288 VanDerWaalsContact O-CD 3.29Å; K1286-P1288 WeakPolarHBondContact O-CD 3.21Å
1287I35.9Very low40.5Very low158 Ų158134.1 Ų134.181%0.8173%0.728SS**  trans-63.7115.9155.2-60.1172.4000105.8S1289I1287-S1289 PolarHBondContact O-N 3.27Å
1288P32.9Very low40.4Very low101 Ų101136.5 Ų136.566%0.65673%0.731SS**  trans-65.5123.8177.327.3-32.8000108.4K1286 F1290K1286-P1288 VanDerWaalsContact O-CD 3.29Å; K1286-P1288 WeakPolarHBondContact O-CD 3.21Å; P1288-F1290 PolarHBondContact O-N 2.72Å
1289S36.6Very low40.6Very low106 Ų106136.7 Ų136.774%0.74174%0.739SS**  trans-61.3114.9175.656.80000108.9I1287 R1291I1287-S1289 PolarHBondContact O-N 3.27Å; S1289-R1291 VanDerWaalsContact C-N 3.31Å; S1289-R1291 PolarHBondContact O-N 2.96Å
1290F38Very low41.3Very low208 Ų208136.6 Ų136.691%0.91274%0.736SS**  trans-5991.9174.2-97.6-100.7000109.9P1288 A1292P1288-F1290 PolarHBondContact O-N 2.72Å; F1290-A1292 PolarHBondContact O-N 2.97Å
1291R39.2Very low41.7Very low222 Ų222136 Ų13684%0.83874%0.739SS**  trans-68.8118.9157.8-84.4-168.7169.8-148.8-1106.2S1289 S1293S1289-R1291 VanDerWaalsContact C-N 3.31Å; S1289-R1291 PolarHBondContact O-N 2.96Å; R1291-S1293 PolarHBondContact O-N 3.31Å
1292A35.2Very low42.2Very low103 Ų103142.9 Ų142.985%0.85175%0.749SS**  trans-70.778.2174.400000110.5F1290F1290-A1292 PolarHBondContact O-N 2.97Å
1293S38.1Very low42.9Very low93 Ų93143.2 Ų143.265%0.6575%0.75SS**  trans-65.6124.9155.9470000108.1R1291R1291-S1293 PolarHBondContact O-N 3.31Å
1294K45.9Very low44Very low171 Ų171141.8 Ų141.874%0.74374%0.738SS**SBendtrans-64173.2167.4-71.5-179.1170.3-175.60110.7I1296K1294-I1296 PolarHBondContact O-N 2.95Å
1295E45.9Very low45Very low171 Ų171141.8 Ų141.880%0.79973%0.731SS**  trans75.21.5157.3-69.9139.3-131.500119.1V1297E1295-V1297 PolarHBondContact O-N 3.43Å
1296I46.6Very low46.4Very low116 Ų116143.6 Ų143.660%0.59573%0.729SS**  trans-78.281.2159.3-50.3-176.7000109.2K1294 Y1298K1294-I1296 PolarHBondContact O-N 2.95Å; I1296-Y1298 HydrophobicContact CB-CE2 4.42Å; I1296-Y1298 HydrophobicContact CG2-CD2 3.87Å; I1296-Y1298 HydrophobicContact CG2-CE1 4.42Å; I1296-Y1298 HydrophobicContact CG2-CE2 3.43Å; I1296-Y1298 VanDerWaalsContact CG2-CE2 3.43Å; I1296-Y1298 PolarHBondContact O-N 3.36Å
1297V49.3Very low47.8Very low115 Ų115138.9 Ų138.970%0.69772%0.722SS**  trans-75.7112.4165.8-179.90000107.5E1295 D1299E1295-V1297 PolarHBondContact O-N 3.43Å; V1297-D1299 PolarHBondContact O-N 3.34Å
1298Y49.5Very low48.9Very low188 Ų188136.1 Ų136.174%0.73771%0.708SS**  trans-83.5106.2169.1-75-86.2000108.8I1296 V1300I1296-Y1298 HydrophobicContact CB-CE2 4.42Å; I1296-Y1298 HydrophobicContact CG2-CD2 3.87Å; I1296-Y1298 HydrophobicContact CG2-CE1 4.42Å; I1296-Y1298 HydrophobicContact CG2-CE2 3.43Å; I1296-Y1298 VanDerWaalsContact CG2-CE2 3.43Å; I1296-Y1298 PolarHBondContact O-N 3.36Å; Y1298-V1300 PolarHBondContact O-N 3Å
1299D47Very low49.8Very low151 Ų151136 Ų13681%0.80771%0.707SS**  trans-6976.5165.4-73.9-31.2000109.4V1297 P1301V1297-D1299 PolarHBondContact O-N 3.34Å; D1299-P1301 WeakPolarHBondContact O-CD 3.16Å
1300V52Low51.1Low105 Ų105142.4 Ų142.464%0.63672%0.715SS**  trans-63.5120.7167.9-179.20000106.8Y1298 Y1302Y1298-V1300 PolarHBondContact O-N 3Å; V1300-Y1302 PolarHBondContact O-N 2.83Å
1301P54.1Low51.9Low112 Ų112142.1 Ų142.173%0.72771%0.709SS**  trans-59116.5178.1-24.134.7000109.4D1299 I1303D1299-P1301 WeakPolarHBondContact O-CD 3.16Å; P1301-I1303 PolarHBondContact O-N 2.75Å
1302Y51.7Low52.4Low228 Ų228139.3 Ų139.389%0.89471%0.706SS**  trans-61.3105.5173.5-82.4-92.8000108.3V1300 D1304V1300-Y1302 PolarHBondContact O-N 2.83Å; Y1302-D1304 PolarHBondContact O-N 3.13Å
1303I56.8Low53.3Low131 Ų131138.3 Ų138.367%0.67269%0.691SS**  trans-61.1109165.9-61.2173.4000105.3P1301 D1305P1301-I1303 PolarHBondContact O-N 2.75Å; I1303-D1305 PolarHBondContact O-N 3.05Å
1304D58.2Low53.7Low77 Ų77143 Ų14341%0.41270%0.702SS.*  trans-50.8124.3-177.8-175.7-12.4000109.2Y1302 K1306 A1307Y1302-D1304 PolarHBondContact O-N 3.13Å; D1304-K1306 PolarHBondContact O-N 3.37Å; D1304-K1306 WeakPolarHBondContact OD1-CB 3.39Å; D1304-K1306 VanDerWaalsContact OD1-CG 3.26Å; D1304-K1306 WeakPolarHBondContact OD1-CG 3.31Å; D1304-K1306 PolarHBondContact OD1-N 3.48Å; D1304-K1306 VanDerWaalsContact OD1-N 3.07Å; D1304-K1306 IonicContact OD1-NZ 2.78Å; D1304-K1306 PolarHBondContact OD1-NZ 2.84Å; D1304-K1306 IonicContact OD2-NZ 2.69Å; D1304-K1306 PolarHBondContact OD2-NZ 3.09Å; D1304-A1307 WeakPolarHBondContact O-CA 3.45Å; D1304-A1307 VanDerWaalsContact O-CB 3.29Å; D1304-A1307 WeakPolarHBondContact O-CB 3.27Å; D1304-A1307 PolarHBondContact O-N 2.89Å
1305D61.1Low53.5Low130 Ų130144.4 Ų144.470%0.69570%0.703SS**G310 helixtrans-53.5-21.9-179.8-58-23.4000112.3I1303 I1308I1303-D1305 PolarHBondContact O-N 3.05Å; D1305-I1308 WeakPolarHBondContact O-CB 3.49Å; D1305-I1308 PolarHBondContact O-N 3.39Å
1306K67.1Low53.7Low156 Ų156141.5 Ų141.568%0.67870%0.699SS**G310 helixtrans-71-24.7173.7-58.5179-143.376.60114.2D1304 I1308D1304-K1306 PolarHBondContact O-N 3.37Å; D1304-K1306 WeakPolarHBondContact OD1-CB 3.39Å; D1304-K1306 VanDerWaalsContact OD1-CG 3.26Å; D1304-K1306 WeakPolarHBondContact OD1-CG 3.31Å; D1304-K1306 PolarHBondContact OD1-N 3.48Å; D1304-K1306 VanDerWaalsContact OD1-N 3.07Å; D1304-K1306 IonicContact OD1-NZ 2.78Å; D1304-K1306 PolarHBondContact OD1-NZ 2.84Å; D1304-K1306 IonicContact OD2-NZ 2.69Å; D1304-K1306 PolarHBondContact OD2-NZ 3.09Å; K1306-I1308 VanDerWaalsContact C-N 3.28Å
1307A61.7Low53.5Low74 Ų74144.5 Ų144.561%0.61272%0.715SS**G310 helixtrans-77.4-16.4174.900000112.2D1304 P1309D1304-A1307 WeakPolarHBondContact O-CA 3.45Å; D1304-A1307 VanDerWaalsContact O-CB 3.29Å; D1304-A1307 WeakPolarHBondContact O-CB 3.27Å; D1304-A1307 PolarHBondContact O-N 2.89Å; A1307-P1309 WeakPolarHBondContact O-CD 3.36Å
1308I59.2Low53Low101 Ų101142.2 Ų142.252%0.51871%0.714SS.*SBendtrans-74.4116.3167.5-51.9177.1000107.4D1305 K1306 R1310D1305-I1308 WeakPolarHBondContact O-CB 3.49Å; D1305-I1308 PolarHBondContact O-N 3.39Å; K1306-I1308 VanDerWaalsContact C-N 3.28Å; I1308-R1310 PolarHBondContact O-N 3.31Å
1309P52.1Low52.6Low98 Ų98138.6 Ų138.664%0.63670%0.704SS**  trans-63.6124.2179.425.7-33.2000109.6A1307 Y1311A1307-P1309 WeakPolarHBondContact O-CD 3.36Å; P1309-Y1311 PolarHBondContact O-N 3.22Å
1310R64.1Low52.5Low240 Ų240136.2 Ų136.291%0.90670%0.699SS**SBendtrans-63.50-177.5-67.1-171.9177.2-166.4-0.5115.3I1308I1308-R1310 PolarHBondContact O-N 3.31Å
1311Y55.6Low51.9Low202 Ų202141.7 Ų141.779%0.79271%0.708SS**SBendtrans-122.6107.7172.3-112.4-89.6000108.6P1309P1309-Y1311 PolarHBondContact O-N 3.22Å
1312E49.4Very low51.2Low163 Ų163147 Ų14776%0.76271%0.714SS**  trans-67.1126.3166.3-173173.7-172.400108.2E1314E1312-E1314 PolarHBondContact O-N 3.39Å
1313P53.7Low51Low83 Ų83140.6 Ų140.654%0.53970%0.699SS.*  trans-63125.1178.8-23.434.3000111W1315P1313-W1315 VanDerWaalsContact C-N 3.34Å; P1313-W1315 PolarHBondContact O-N 3.31Å
1314E47.7Very low50.4Low190 Ų190141 Ų14189%0.88870%0.701SS**  trans-67.491.5173.9-71.7-167.5170.200110.4E1312 P1316E1312-E1314 PolarHBondContact O-N 3.39Å; E1314-P1316 VanDerWaalsContact O-CD 3.31Å; E1314-P1316 WeakPolarHBondContact O-CD 3.27Å
1315W40.5Very low49.4Very low202 Ų202144 Ų14477%0.76572%0.716SS**  trans-64.5117.7177.8-66.493.6000110.5P1313 I1317P1313-W1315 VanDerWaalsContact C-N 3.34Å; P1313-W1315 PolarHBondContact O-N 3.31Å; W1315-I1317 PolarHBondContact O-N 3.01Å
1316P50.8Low48.3Very low109 Ų109141.9 Ų141.971%0.70871%0.711SS**  trans-64.3112.9176.225.3-32.9000109.7E1314 G1318E1314-P1316 VanDerWaalsContact O-CD 3.31Å; E1314-P1316 WeakPolarHBondContact O-CD 3.27Å; P1316-G1318 PolarHBondContact O-N 3.4Å
1317I41.2Very low47Very low180 Ų180143 Ų14392%0.92372%0.719SS**THydrogen-bonded Turntrans-68.998.5-167.6-57.2174.8000111.2W1315W1315-I1317 PolarHBondContact O-N 3.01Å
1318G40.5Very low45.9Very low67 Ų67147 Ų14769%0.69173%0.729SS**THydrogen-bonded Turntrans110.348.3145.500000119.7P1316P1316-G1318 PolarHBondContact O-N 3.4Å
1319E40.7Very low45.1Very low112 Ų112146.7 Ų146.752%0.52374%0.736SS.*  trans-96.288.4153.1-68.3-142.8147.400110.9F700F700-E1319 HydrophobicContact CD2-CG 4.23Å; F700-E1319 WeakPolarHBondContact CD2-OE1 3.05Å; F700-E1319 PolarHBondContact N-OE1 3.24Å
1320S43.9Very low44.3Very low100 Ų100150.1 Ų150.170%0.69974%0.744SS**  trans-74.1142.2175.8-174.50000111.6R1322S1320-R1322 PolarHBondContact O-N 2.89Å
1321R39.8Very low43Very low221 Ų221146.7 Ų146.783%0.83474%0.743SS**G310 helixtrans-55.3-0.5-163-66.2-175.7172.6-159.7-1.8118.4T1323R1321-T1323 VanDerWaalsContact C-N 3.28Å; R1321-T1323 PolarHBondContact O-N 2.8Å
1322R39Very low42.1Very low222 Ų222142 Ų14284%0.83874%0.74SS**G310 helixtrans-75.4-2.3-172.8-74.9-172.7168.8-170.1-4.9115.6S1320S1320-R1322 PolarHBondContact O-N 2.89Å
1323T48.8Very low41.3Very low95 Ų95137.4 Ų137.458%0.58374%0.736SS**G310 helixtrans-84.1-26.9177.442.90000114.5R1321 I1325R1321-T1323 VanDerWaalsContact C-N 3.28Å; R1321-T1323 PolarHBondContact O-N 2.8Å; T1323-I1325 PolarHBondContact O-N 2.72Å
1324L43.1Very low40.4Very low139 Ų139138.7 Ų138.773%0.72875%0.747SS**G310 helixtrans-67.7-28.7-173.5-79.1168.6000114.7
1325I38.6Very low39.6Very low140 Ų140137.6 Ų137.672%0.71875%0.746SS**G310 helixtrans-80.2-25.5-172.4-61.8174.8000112T1323 Q1327 L1328T1323-I1325 PolarHBondContact O-N 2.72Å; I1325-Q1327 VanDerWaalsContact C-N 3.28Å; I1325-Q1327 PolarHBondContact O-N 2.82Å; I1325-L1328 PolarHBondContact O-N 2.97Å
1326S36.7Very low39.1Very low85 Ų85133.8 Ų133.859%0.59474%0.744SS**G310 helixtrans-73.6-11.4-172.5-168.50000115
1327Q39.9Very low38.2Very low179 Ų179131.6 Ų131.684%0.83674%0.742SS**G310 helixtrans-91-10-179.8-72.8-167.6-26.400114.4I1325I1325-Q1327 VanDerWaalsContact C-N 3.28Å; I1325-Q1327 PolarHBondContact O-N 2.82Å
1328L38.8Very low37.5Very low159 Ų159130.5 Ų130.583%0.83274%0.735SS**SBendtrans-92.9-8.2-179.7-78.9165.3000114.5I1325I1325-L1328 PolarHBondContact O-N 2.97Å
1329S41.9Very low37.1Very low94 Ų94134.4 Ų134.466%0.65775%0.746SS**SBendtrans-97.6-3.5-171.9-168.30000115.7
1330Q36.6Very low36.5Very low171 Ų171133.2 Ų133.280%0.79976%0.755SS**SBendtrans-93.2-1.4-171.9-71.2-165.6-2900115.5
1331N36.8Very low35.8Very low168 Ų168137.5 Ų137.590%0.89876%0.764SS**SBendtrans-122.637.6-174.7-80.2-17.4000114.1
1332S36.6Very low35.5Very low102 Ų102135.7 Ų135.771%0.71377%0.765SS**  trans-137.590.6169.960.20000111.3
1333G32.1Very low35.1Very low67 Ų67133.6 Ų133.669%0.69176%0.764SS**  trans-85.6-172.8168.300000113
1334S35.1Very low34.1Very low111 Ų111134.9 Ų134.978%0.77678%0.777SS**  trans57.979.1170.861.40000117.9
1335I30.7Very low33.3Very low167 Ų167133.5 Ų133.586%0.85678%0.779SS**  trans-119.9116.3136.2-68.3174.5000103.2
1336V30.4Very low32.6Very low121 Ų121133.7 Ų133.773%0.73378%0.781SS**  cis81.9124.931.6-170.50000112.7
1337G31.4Very low32Very low64 Ų64136.4 Ų136.466%0.6679%0.787SS**  trans101.1102.5-157.800000109.3
1338M25.9Very low31.4Very low157 Ų157132.9 Ų132.977%0.77378%0.783SS**  cis70.280.929.2-56.5-178.266.600114.6P887P887-M1338 HydrophobicContact CB-CE 4.38Å
1339T32.3Very low31.1Very low149 Ų149132.5 Ų132.591%0.91478%0.781SS**  trans-108.1127.3138.344.10000107.8
1340A28.8Very low30.6Very low86 Ų86133.4 Ų133.471%0.71178%0.778SS**  trans-120.3139159.700000106.2
1341E28.3Very low30.5Very low191 Ų191128.6 Ų128.689%0.89376%0.761SS**  trans-175.9158.3156-105.2148.6-148.700108.8
1342E33.6Very low30.5Very low183 Ų183128.1 Ų128.186%0.85575%0.75SS**  trans51.787176.3-58.3-170.9168.200116
1343E30.9Very low30.4Very low177 Ų177129.9 Ų129.983%0.82775%0.751SS**  69.895.287.9-68.2-159.6-178.900113.8
1344S27Very low30.5Very low123 Ų123130.9 Ų130.986%0.8675%0.748SS**  cis81.334.449.2-49.80000116.3
1345S27.2Very low30.7Very low109 Ų109132.6 Ų132.676%0.76275%0.748SS**  trans-149.8149161.363.30000114.4
1346L22.9Very low30.7Very low145 Ų145132 Ų13276%0.75974%0.741SS**  cis-150.4128.1-26.1-106.4-179.9000109.6
1347I25.7Very low30.9Very low141 Ų141135 Ų13572%0.72375%0.745SS**  trans31.2109.7145.1-59.7177.9000117.7
1348S26.6Very low30.7Very low106 Ų106136.6 Ų136.674%0.74174%0.738SS**  73.881.163.31790000117
1349L31.3Very low31.3Very low151 Ų151137.5 Ų137.579%0.79174%0.744SS**  trans-145.1137156.9-80.9156000106.4
1350D32.9Very low31.4Very low113 Ų113135.6 Ų135.660%0.60474%0.737SS**  cis-117147.23.3-85.7-59.8000111.6
1351T34.7Very low31.5Very low70 Ų70138.7 Ų138.743%0.42973%0.734SS.*  cis68.515149.599.30000116.5R1365T1351-R1365 PolarHBondContact O-NH1 3.1Å
1352K36.7Very low31.8Very low157 Ų157141 Ų14168%0.68373%0.734SS**  trans55.2134.5161.9-58.9161.8-165.5165.40119.3R1365K1352-R1365 VanDerWaalsContact C-NH2 3.32Å; K1352-R1365 PolarHBondContact O-NH1 3.42Å; K1352-R1365 PolarHBondContact O-NH2 2.7Å
1353L33.6Very low31.7Very low140 Ų140138.8 Ų138.873%0.73373%0.727SS**  cis-143.2-161.2-1.7-147.872.8000110.6R1365L1353-R1365 PolarHBondContact O-NH2 3.29Å
1354S33.5Very low31.8Very low88 Ų88135.6 Ų135.662%0.61572%0.724SS**  trans-58.4151173.356.60000112
1355D39.4Very low32Very low146 Ų146135.9 Ų135.978%0.78171%0.707SS**  -161.9159.575.6-83.1-28000114.8
1356H31.8Very low32.3Very low154 Ų154139.9 Ų139.971%0.71371%0.711SS**SBendtrans60.2-170.8162.6-123.6-120.1000119.1N1358H1356-N1358 WeakPolarHBondContact O-CB 3.41Å; H1356-N1358 VanDerWaalsContact O-CG 3.32Å; H1356-N1358 PolarHBondContact O-N 3.14Å; H1356-N1358 PolarHBondContact O-ND2 3.3Å; H1356-N1358 VanDerWaalsContact O-ND2 3.15Å
1357K33.8Very low32.8Very low186 Ų186139.2 Ų139.281%0.80971%0.713SS**  trans-50.1117.9179.8-65.8171.3-178.2172.20110.1
1358N28.1Very low32.9Very low97 Ų97136.2 Ų136.252%0.51971%0.705SS.*  cis62.243.218.3-70.8-31.6000115.2H1356 K1361H1356-N1358 WeakPolarHBondContact O-CB 3.41Å; H1356-N1358 VanDerWaalsContact O-CG 3.32Å; H1356-N1358 PolarHBondContact O-N 3.14Å; H1356-N1358 PolarHBondContact O-ND2 3.3Å; H1356-N1358 VanDerWaalsContact O-ND2 3.15Å; N1358-K1361 VanDerWaalsContact CG-CE 3.49Å; N1358-K1361 WeakPolarHBondContact OD1-CE 3.35Å; N1358-K1361 WeakPolarHBondContact OD1-CG 3.13Å
1359I38.1Very low33.2Very low175 Ų175138.7 Ų138.790%0.89770%0.704SS**SBend-141.561.6128.3-92147000108.1
1360S34.3Very low33Very low109 Ų109138.3 Ų138.376%0.76270%0.702SS**SBendtrans-177.159.5157.6-171.30000109.6
1361K30.3Very low33.1Very low151 Ų151139.2 Ų139.266%0.65771%0.706SS**  trans-63.2137-166.5-81.3169.1176.5-179.40114N1358N1358-K1361 VanDerWaalsContact CG-CE 3.49Å; N1358-K1361 WeakPolarHBondContact OD1-CE 3.35Å; N1358-K1361 WeakPolarHBondContact OD1-CG 3.13Å
1362R35.5Very low33Very low239 Ų239145.3 Ų145.390%0.90273%0.727SS**  trans6192.4175.2-63.7178.3173.8168.1-4.3113.3
1363I31.4Very low32.5Very low137 Ų137140.9 Ų140.970%0.70373%0.726SS**  cis81.9116.432.4-53.2170.3000114.3R1365I1363-R1365 HydrophobicContact CG2-CG 4.39Å
1364S32.4Very low32.4Very low110 Ų110141.9 Ų141.977%0.76973%0.732SS**  trans-89.6135.6169172.30000111.2
1365R32.8Very low32.3Very low130 Ų130147.2 Ų147.249%0.49174%0.744SS.*  trans-155.2150.7165.4-71.4-163.1-114.2111.7-17.8109T1351 K1352 L1353 I1363T1351-R1365 PolarHBondContact O-NH1 3.1Å; K1352-R1365 VanDerWaalsContact C-NH2 3.32Å; K1352-R1365 PolarHBondContact O-NH1 3.42Å; K1352-R1365 PolarHBondContact O-NH2 2.7Å; L1353-R1365 PolarHBondContact O-NH2 3.29Å; I1363-R1365 HydrophobicContact CG2-CG 4.39Å
1366F33.3Very low31.6Very low192 Ų192144.8 Ų144.884%0.84274%0.739SS**  cis-164.1109-39.6-140.9-72000106.6S1368F1366-S1368 PolarHBondContact O-N 3.35Å
1367T31.8Very low31.6Very low132 Ų132142.8 Ų142.881%0.8174%0.742SS**  trans-83.896.9-179.748.80000111
1368S29.3Very low31.3Very low78 Ų78141.5 Ų141.555%0.54574%0.743SS.*  trans36.6154.3133550000122.9F1366F1366-S1368 PolarHBondContact O-N 3.35Å
1369H31.4Very low31.6Very low158 Ų158144.6 Ų144.673%0.73175%0.754SS**  trans97.493.1158.9-47.2-62.9000120.1
1370L28.8Very low31.4Very low143 Ų143143 Ų14375%0.74974%0.743SS**  79.6102.4124.2-67.3163.3000121.9
1371L34Very low31.5Very low131 Ų131143.6 Ų143.669%0.68674%0.738SS**  110.7125.1119.9-72169.1000121.9
1372K32.4Very low32Very low198 Ų198144.5 Ų144.586%0.86175%0.75SS**  trans66.1135.9151.8-60.2165.1-177.11770117.9
1373G26.8Very low32Very low65 Ų65141.2 Ų141.267%0.6775%0.75SS**  cis159.3143.3-1200000115.3
1374N30.5Very low32.3Very low160 Ų160142.2 Ų142.286%0.85676%0.757SS**  trans83.4147.3160.5-56.2-13000121.2
1375K31.7Very low32.5Very low201 Ų201142.4 Ų142.487%0.87475%0.753SS**  trans76.6144.1168.5-58.5-176.3-178.2-177.20117.8
1376S26.2Very low32.5Very low95 Ų95141.3 Ų141.366%0.66477%0.765SS**  cis-177.7171.3-3444.70000109.2
1377S31Very low32.5Very low112 Ų112141.7 Ų141.778%0.78377%0.767SS**  trans62.6125.4175.733.70000115.9
1378L28.1Very low32.6Very low159 Ų159141.2 Ų141.283%0.83277%0.766SS**  cis85.6148.929.4-157.872.9000113.6
1379E34Very low32.5Very low161 Ų161148.3 Ų148.375%0.75278%0.781SS**  trans77.1142.9179.9-58.6169.4-170.800115.4
1380Q33.2Very low32.4Very low143 Ų143145.8 Ų145.867%0.66878%0.781SS**  cis-155.5163.4-20.5-122.3176.9-87.800110.2
1381D36Very low32.5Very low121 Ų121147.3 Ų147.365%0.64778%0.782SS**  trans22.8132.2149.7-46.4-20000122.2
1382D41.9Very low32.5Very low169 Ų169145.5 Ų145.590%0.90478%0.78SS**  -172.6111.6112.5-100.8-21.4000110.7
1383D35Very low32.6Very low170 Ų170144.2 Ų144.291%0.90978%0.781SS**  trans-95.8143.1171.2-81.9-67000110.5
1384D37.4Very low32.8Very low158 Ų158147.6 Ų147.685%0.84579%0.789SS**  -175.7176.4124.6-145.5-17.1000113.8
1385V38Very low33Very low114 Ų114150.4 Ų150.469%0.69179%0.788SS**  trans84.472.7161.2-154.20000119.1
1386S32.8Very low32.9Very low108 Ų108146.8 Ų146.876%0.75578%0.778SS**  90.7153.5125.884.60000122.4
1387K32Very low33Very low200 Ų200152.5 Ų152.587%0.8779%0.79SS**  trans-132144.1175.6-64.3163.5-178.11600108.4
1388P34Very low33.1Very low122 Ų122151.5 Ų151.579%0.79278%0.78SS**  -141.5152.2105.131.5-15.4000112.9
1389R27.8Very low33.2Very low226 Ų226154.7 Ų154.785%0.85378%0.781SS**  cis88.277.932.6-169.6-172.7166.3146.6-4.8115.2
1390S30Very low32.8Very low106 Ų106159.4 Ų159.474%0.74179%0.792SS**  trans-170.2132.2142.8-154.90000107.2
1391K30.8Very low32.6Very low175 Ų175156.5 Ų156.576%0.76179%0.788SS**  59.1132.252.4-60-171.3179.9-169.80113
1392S33.1Very low32.1Very low93 Ų93159.3 Ų159.365%0.6579%0.794SS**  cis-172.5140.4-1144.70000110.4
1393L33.9Very low31.7Very low170 Ų170161.9 Ų161.989%0.8979%0.791SS**  trans-13272.9161.3-87.2176.9000110.7R1395L1393-R1395 VanDerWaalsContact C-N 3.34Å
1394T31.7Very low31.5Very low137 Ų137160.3 Ų160.384%0.8478%0.782SS**  trans-100.446.9173.5-29.60000111
1395R34.6Very low31.4Very low219 Ų219158.4 Ų158.483%0.82677%0.772SS**  trans-136.3131165.7-86.9-167.9171.9177.1-2.2108L1393L1393-R1395 VanDerWaalsContact C-N 3.34Å
1396L28.9Very low31.7Very low125 Ų125155.3 Ų155.365%0.65475%0.754SS**  cis-151.1121.6-3.2-171.566.6000111T1398L1396-T1398 HydrophobicContact CD1-CG2 4.48Å; L1396-T1398 WeakPolarHBondContact CD2-OG1 3.39Å; L1396-T1398 HydrophobicContact CG-CG2 4.36Å; L1396-T1398 WeakPolarHBondContact CG-OG1 3.39Å; L1396-T1398 PolarHBondContact O-N 2.83Å
1397K29.1Very low31.8Very low214 Ų214155.1 Ų155.193%0.9374%0.741SS**  trans-82.846.2179.1-160.7-178178.8-177.10111.8
1398T33.8Very low31.9Very low92 Ų92156.5 Ų156.556%0.56475%0.747SS**  trans-138.959.8-179.469.10000113.3L1396L1396-T1398 HydrophobicContact CD1-CG2 4.48Å; L1396-T1398 WeakPolarHBondContact CD2-OG1 3.39Å; L1396-T1398 HydrophobicContact CG-CG2 4.36Å; L1396-T1398 WeakPolarHBondContact CG-OG1 3.39Å; L1396-T1398 PolarHBondContact O-N 2.83Å
1399W29.4Very low31.8Very low226 Ų226158.3 Ų158.386%0.85675%0.745SS**  trans-134.549.1142.1-147.857.9000112.2S1401W1399-S1401 VanDerWaalsContact C-N 3.27Å
1400W25.8Very low32Very low260 Ų260154.7 Ų154.799%0.98574%0.739SS**  trans-98.856150.2-91.457.1000109
1401S28.3Very low32.1Very low82 Ų82157.4 Ų157.457%0.57374%0.739SS**  trans-100.996.7164.1-82.60000108.9W1399W1399-S1401 VanDerWaalsContact C-N 3.27Å
1402K26.4Very low32.2Very low179 Ų179156.4 Ų156.478%0.77874%0.738SS**  trans29.2109.2135.4-59.8179.6176.5-176.60116.6
1403R32.1Very low32.2Very low224 Ų224160.3 Ų160.385%0.84574%0.743SS**  -175.8138.7105.1-91.9145.8-179.6160.9-3.9107.1
1404N31.5Very low32Very low136 Ų136159.7 Ų159.773%0.72773%0.733SS**  54.9123.670.4-62.632.2000111
1405L36.2Very low32.1Very low118 Ų118161.3 Ų161.362%0.61873%0.726SS**  cis-152.1-174.5-8.7-144.693.6000105.1D900D900-L1405 VanDerWaalsContact OD1-CB 3.25Å; D900-L1405 WeakPolarHBondContact OD1-CB 3.13Å; D900-L1405 VanDerWaalsContact OD2-C 3.29Å
1406P43.9Very low31.9Very low50 Ų50156.8 Ų156.833%0.32572%0.718SS.*  trans-103.8108.3-171.937.5-32.8000116.8I897 L898 S899 D900I897-P1406 HydrophobicContact CG2-CB 3.83Å; I897-P1406 HydrophobicContact CG2-CG 3.19Å; L898-P1406 WeakPolarHBondContact CD2-O 3.15Å; S899-P1406 WeakPolarHBondContact CA-O 3.21Å; S899-P1406 PolarHBondContact N-O 2.91Å; D900-P1406 WeakPolarHBondContact OD1-CD 3.46Å
1407H35.5Very low32.1Very low103 Ų103159.5 Ų159.548%0.47772%0.723SS.*  -87.3161129.5-60.7-74.3000110.5D900D900-H1407 PolarHBondContact N-CE1 3.08Å; D900-H1407 VanDerWaalsContact N-CE1 3.26Å; D900-H1407 PolarHBondContact N-NE2 2.73Å; D900-H1407 PolarHBondContact O-CE1 3.3Å; D900-H1407 PolarHBondContact O-NE2 2.9Å; D900-H1407 VanDerWaalsContact O-NE2 3.09Å; D900-H1407 IonicContact OD2-CD2 3.28Å; D900-H1407 PolarHBondContact OD2-CD2 3.28Å; D900-H1407 VanDerWaalsContact OD2-CD2 3.28Å; D900-H1407 IonicContact OD2-CG 3.83Å; D900-H1407 PolarHBondContact OD2-N 2.7Å; D900-H1407 VanDerWaalsContact OD2-N 3.13Å
1408K33.6Very low32.4Very low230 Ų230154.5 Ų154.5100%170%0.704SS**  cis-141.60-7.3-146.7-166.2174.8-176.90110.2L898L898-K1408 WeakPolarHBondContact CD1-OXT 3.43Å

Retrieved 1,408 of 1,408 residues in 203.9 ms (Link to these results)