A0A3Q0KPX5_SCHMA Loading...

Camp-response element binding protein-related

AlphaFold DB , UniProt , Accession A0A3Q0KPX5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 729 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
1M37.3Very low34.4Very low239 Ų239141.3 Ų141.3100%1.17779%0.786SS**  093.50-62.1167.4-178.900104.4
2A36.6Very low34.4Very low105 Ų105138.4 Ų138.487%0.86878%0.775SS**  74.8131.157.700000111.5
3G35.9Very low34Very low62 Ų62138.3 Ų138.364%0.63977%0.772SS**  cis-103.5158.3-3.700000113.8
4E34.8Very low33.7Very low180 Ų180141.6 Ų141.684%0.84178%0.775SS**  80.2140.565.6-66.1-163.8129.200113.2
5L33.5Very low33.5Very low127 Ų127141.7 Ų141.767%0.66577%0.774SS**  cis-165.7159.6-14.7-104.3176.9000107.6
6I36.8Very low33.3Very low140 Ų140140.4 Ų140.472%0.71877%0.772SS**  trans45.3147.7140.1-70.7170.1000119.9
7L30Very low33.2Very low162 Ų162141.1 Ų141.185%0.84877%0.774SS**  cis168.7152.9-15.5-175.671.7000103.6
8G33.6Very low33.2Very low66 Ų66143.3 Ų143.368%0.6878%0.778SS**  trans125.5101.2158.600000114.6
9D31Very low33.1Very low141 Ų141145.8 Ų145.875%0.75478%0.782SS**  trans-59.8157157.1-37.8-93.5000110.6
10F34.6Very low33Very low170 Ų170145.9 Ų145.975%0.74678%0.782SS**  173.1144.3119.3-97.6-61.9000113.5
11F34Very low33.1Very low162 Ų162143.9 Ų143.971%0.71178%0.779SS**  trans54.894.6155.9-64.3-55.2000118.3
12T34.6Very low32.8Very low107 Ų107138 Ų13866%0.65676%0.756SS**  82.412283.4540000116.1
13D29.4Very low32.8Very low137 Ų137141.6 Ų141.673%0.73376%0.755SS**  trans68.8144.9144.7-54.9-20.8000122.3
14F29.2Very low32.7Very low185 Ų185143.6 Ų143.681%0.81176%0.759SS**  trans87.2138.2161.8-76.4-78.2000122.2
15N31.4Very low32.6Very low143 Ų143141.6 Ų141.677%0.76576%0.76SS**  trans76.4106.3156.3-62.5-25.2000120.1
16T30.4Very low32.7Very low121 Ų121142.9 Ų142.974%0.74276%0.762SS**  trans-49.5126.3142.249.20000111.8
17N30.7Very low32.7Very low151 Ų151142 Ų14281%0.80777%0.768SS**  trans161.484.3132-81.1-13.9000112.8
18E34.2Very low33.2Very low182 Ų182141.9 Ų141.985%0.8576%0.757SS**  trans-176.3132.7158.4-99.7164.5170.700104.1
19F30.1Very low33.1Very low191 Ų191144.3 Ų144.384%0.83875%0.752SS**  cis54.674.316.7-90.1-71.6000111.5
20D31.9Very low33.5Very low147 Ų147141.8 Ų141.879%0.78674%0.742SS**  -162.9176.864.3-102.5-35.7000115.3
21S34.2Very low33.5Very low103 Ų103140.3 Ų140.372%0.7274%0.741SS**  trans84.294.5153-165.90000121.4
22V32.6Very low33.8Very low115 Ų115138.7 Ų138.770%0.69774%0.739SS**  56.4109.6120.5178.60000120.8
23Q36.2Very low33.8Very low181 Ų181142.2 Ų142.285%0.84675%0.746SS**  166.5119109.3-112.5151.142.500109.1
24S34.3Very low34.1Very low105 Ų105144 Ų14473%0.73475%0.749SS**  101.595.453.9-172.20000112.5
25T32.7Very low34.4Very low138 Ų138140.8 Ų140.885%0.84775%0.745SS**  trans-15168.3161.752.80000112.4
26Q35.4Very low34.7Very low153 Ų153142.3 Ų142.372%0.71575%0.753SS**  trans-160.3113.1154-120.517185.200112.7W28Q26-W28 PolarHBondContact O-N 3.21Å
27S36.7Very low35Very low121 Ų121144.1 Ų144.185%0.84676%0.758SS**THydrogen-bonded Turntrans-94.661.2-166.460.20000113.3
28W40.1Very low35Very low160 Ų160144.3 Ų144.361%0.60676%0.759SS**THydrogen-bonded Turntrans-142.4-317567.6-92.4000114.7Q26Q26-W28 PolarHBondContact O-N 3.21Å
29M32.4Very low35Very low118 Ų118144.9 Ų144.958%0.58176%0.761SS**SBendtrans-108.11.3-170.9-157.9170.5-72.400113.6
30T39.3Very low35Very low87 Ų87144.6 Ų144.653%0.53476%0.763SS.*SBendtrans-79.8-42.9-179.736.40000112.7I32 F33T30-I32 PolarHBondContact O-N 3.17Å; T30-F33 PolarHBondContact O-N 2.91Å
31D34.8Very low35Very low139 Ų139145.9 Ų145.974%0.74377%0.767SS**THydrogen-bonded Turntrans-77.811.2-160.9-53.517.5000114.3
32I38.4Very low34.8Very low129 Ų129146.8 Ų146.866%0.66277%0.769SS**THydrogen-bonded Turntrans-118.4-17.1-176.7-66.1177.2000112.2T30T30-I32 PolarHBondContact O-N 3.17Å
33F35.6Very low34.6Very low181 Ų181149 Ų14979%0.79477%0.772SS**THydrogen-bonded Turntrans-114.4-0-174.3-79.1-81.1000115T30T30-F33 PolarHBondContact O-N 2.91Å
34E34.9Very low34.2Very low173 Ų173146.7 Ų146.781%0.80877%0.765SS**SBendtrans-100.126-174.8-153.3163.4-139.100113.5
35T37.1Very low34.1Very low119 Ų119148 Ų14873%0.7376%0.764SS**SBendtrans-14480.8174.735.50000113
36L35.7Very low34Very low175 Ų175149.8 Ų149.892%0.91676%0.76SS**  trans170.492.4138.1-93.9161.5000109.7
37D37.3Very low34Very low159 Ų159148.9 Ų148.985%0.8576%0.759SS**  trans-68.9152171.8-80.3-48.5000112.7Q39D37-Q39 PolarHBondContact O-N 2.93Å
38D30.3Very low33.9Very low155 Ų155151.7 Ų151.783%0.82976%0.763SS**  trans-7.5110.5161.2-73.5-27.3000117.9
39Q34.1Very low33.6Very low194 Ų194151.4 Ų151.491%0.90777%0.769SS**  -138.2139126.8-75.9-150.9-3.800112.4D37D37-Q39 PolarHBondContact O-N 2.93Å
40Q30.6Very low33.9Very low185 Ų185152 Ų15286%0.86477%0.774SS**  trans-79141.8177.6-57163.71300110.6
41I32.6Very low33.7Very low173 Ų173154.9 Ų154.989%0.88779%0.785SS**  trans-158.9148.4145.3-102.4145000108.8
42T30.3Very low33.7Very low123 Ų123152.6 Ų152.676%0.75578%0.778SS**  trans-111.3142.5-166.350.60000113.6
43H29Very low33.7Very low162 Ų162152.2 Ų152.275%0.7577%0.773SS**  trans49.5128.4147-104.1-85.2000121.1
44D27.4Very low33.9Very low132 Ų132151.5 Ų151.571%0.70677%0.772SS**  trans76.2150.7149.6-55.3-31.2000121.2
45D30.5Very low34.1Very low132 Ų132150 Ų15071%0.70677%0.768SS**  trans70.2120.4160.8-86.86.4000121.2
46F32Very low34.1Very low176 Ų176151.6 Ų151.677%0.77277%0.765SS**  trans68.7136.4161.4-58.5-61.9000117.8
47I35.6Very low34.1Very low134 Ų134148.9 Ų148.969%0.68776%0.756SS**  cis-141147.37.2-105.2141.9000110.6E49I47-E49 HydrophobicContact CG2-CB 3.83Å
48L34.2Very low33.9Very low180 Ų180149.6 Ų149.694%0.94275%0.751SS**  trans-104.9101.8166.4-119.4171.1000108.2
49E32.8Very low34Very low154 Ų154149.9 Ų149.972%0.7275%0.752SS**  trans-154.5143.2174-140.8164.1-151.800113.1I47I47-E49 HydrophobicContact CG2-CB 3.83Å
50N38.5Very low33.8Very low131 Ų131148.4 Ų148.470%0.70175%0.75SS**  trans72.790.3-177.3-50.9-68000115.5
51I37.1Very low33.9Very low146 Ų146143.4 Ų143.475%0.74974%0.741SS**  82.4129.671.7-70.1166.7000110.9
52P33.3Very low33.8Very low92 Ų92140 Ų14060%0.59773%0.73SS**  cis-125.8153.93924.7-2.6000118.9E54P52-E54 VanDerWaalsContact C-N 3.3Å; P52-E54 PolarHBondContact O-N 3.03Å
53E39.4Very low33.8Very low120 Ų120141.4 Ų141.456%0.56173%0.732SS**THydrogen-bonded Turntrans-78.65.6-177.7-82.3-77.5136.300115.3I55 K56E53-I55 VanDerWaalsContact C-N 3.28Å; E53-I55 PolarHBondContact O-N 2.94Å; E53-K56 PolarHBondContact O-N 3.45Å; E53-K56 VanDerWaalsContact OE1-CD 3.23Å; E53-K56 WeakPolarHBondContact OE1-CD 3.39Å; E53-K56 IonicContact OE1-NZ 3.42Å; E53-K56 PolarHBondContact OE1-NZ 2.91Å
54E39.4Very low33.9Very low167 Ų167137.9 Ų137.978%0.7872%0.724SS**THydrogen-bonded Turntrans-75.3-12.8-175.9-63.9-170.613200114.4P52P52-E54 VanDerWaalsContact C-N 3.3Å; P52-E54 PolarHBondContact O-N 3.03Å
55I39.5Very low34.2Very low140 Ų140136.3 Ų136.372%0.71872%0.716SS**SBendtrans-95.2-25.6178.2-60.6176.3000111.3E53 T57 K58E53-I55 VanDerWaalsContact C-N 3.28Å; E53-I55 PolarHBondContact O-N 2.94Å; I55-T57 VanDerWaalsContact C-N 3.34Å; I55-T57 PolarHBondContact O-N 3.47Å; I55-K58 PolarHBondContact O-N 2.94Å
56K37.8Very low34.2Very low154 Ų154136.8 Ų136.867%0.6772%0.717SS**THydrogen-bonded Turntrans-82-8.4-168.1-152176.1-178.5179.40114.8E53E53-K56 PolarHBondContact O-N 3.45Å; E53-K56 VanDerWaalsContact OE1-CD 3.23Å; E53-K56 WeakPolarHBondContact OE1-CD 3.39Å; E53-K56 IonicContact OE1-NZ 3.42Å; E53-K56 PolarHBondContact OE1-NZ 2.91Å
57T35Very low34Very low118 Ų118136 Ų13672%0.72472%0.72SS**THydrogen-bonded Turntrans-100.99.2177.948.70000113.3I55I55-T57 VanDerWaalsContact C-N 3.34Å; I55-T57 PolarHBondContact O-N 3.47Å
58K33.8Very low33.8Very low174 Ų174136.9 Ų136.976%0.75772%0.719SS**SBendtrans-108.86.3-170-126.2177.8-176.6179.70115.6I55I55-K58 PolarHBondContact O-N 2.94Å
59L31.6Very low33.5Very low160 Ų160133.8 Ų133.884%0.83871%0.707SS**SBendtrans-116.1-15.7-176-122.770.3000115.2
60D30.1Very low33.3Very low164 Ų164134.7 Ų134.788%0.87771%0.712SS**  trans-103.470176.9-75.1-49.7000111.4
61A32.8Very low32.9Very low80 Ų80135.1 Ų135.166%0.66171%0.714SS**  trans-140.3131171.300000110.6
62P30.8Very low32.6Very low101 Ų101134.5 Ų134.566%0.65671%0.712SS**  trans-65.6149.2178.228.2-34.4000111.2C64P62-C64 PolarHBondContact O-N 3.04Å
63L30Very low32.4Very low153 Ų153136 Ų13680%0.80171%0.709SS**THydrogen-bonded Turntrans-75.438.4-169.4-139.2162000113.5
64C31.4Very low32.1Very low87 Ų87138.1 Ų138.159%0.58872%0.717SS**THydrogen-bonded Turntrans-115.3-12.1-168.6-58.80000114.5P62P62-C64 PolarHBondContact O-N 3.04Å
65D31.8Very low31.6Very low100 Ų100136.9 Ų136.954%0.53572%0.721SS.*SBendtrans-100.7-9.4-176.3-76.1-43.7000114.6L67 K68D65-L67 PolarHBondContact O-N 3.34Å; D65-K68 PolarHBondContact O-N 2.88Å; D65-K68 WeakPolarHBondContact OD1-CD 3.41Å; D65-K68 VanDerWaalsContact OD1-CE 3.26Å; D65-K68 WeakPolarHBondContact OD1-CE 3.43Å; D65-K68 IonicContact OD1-NZ 2.65Å; D65-K68 PolarHBondContact OD1-NZ 3.02Å
66I31.1Very low31.2Very low141 Ų141133.3 Ų133.372%0.72372%0.719SS**THydrogen-bonded Turntrans-73.5-12.9178.9-65.8175.3000112.6
67L29.2Very low30.9Very low159 Ų159133.5 Ų133.583%0.83273%0.727SS**THydrogen-bonded Turntrans-101.912178.8-63.5177.7000114.1D65 T69D65-L67 PolarHBondContact O-N 3.34Å; L67-T69 PolarHBondContact O-N 3.35Å
68K29.6Very low30.6Very low153 Ų153134.7 Ų134.767%0.66573%0.725SS**  trans-96.453.4-179.1-68.3-179.2-175.1165.60113.2D65D65-K68 PolarHBondContact O-N 2.88Å; D65-K68 WeakPolarHBondContact OD1-CD 3.41Å; D65-K68 VanDerWaalsContact OD1-CE 3.26Å; D65-K68 WeakPolarHBondContact OD1-CE 3.43Å; D65-K68 IonicContact OD1-NZ 2.65Å; D65-K68 PolarHBondContact OD1-NZ 3.02Å
69T28.3Very low30.4Very low115 Ų115133.4 Ų133.471%0.70672%0.724SS**SBendtrans-129.2104.7171.653.10000111.3L67L67-T69 PolarHBondContact O-N 3.35Å
70E29.2Very low30.2Very low174 Ų174132.5 Ų132.581%0.81372%0.716SS**SBendtrans66122.4166.4-53.1-169.6145.700118.1
71N30.5Very low30.2Very low140 Ų140130.5 Ų130.575%0.74970%0.704SS**SBendtrans83.5130.2175.8-46.8-82.5000116.4F73N71-F73 PolarHBondContact O-N 3.46Å; N71-F73 VanDerWaalsContact O-N 3.11Å
72D31Very low30Very low133 Ų133135.3 Ų135.371%0.71171%0.705SS**  trans-73.598.3-171.4-62.5-58.4000113.6P189D72-P189 WeakPolarHBondContact O-CD 3.43Å
73F28Very low30Very low122 Ų122137 Ų13754%0.53570%0.704SS.*  trans-105.9112167.1-77.4-83.6000111.1N71 V75 I186 R188N71-F73 PolarHBondContact O-N 3.46Å; N71-F73 VanDerWaalsContact O-N 3.11Å; F73-V75 PolarHBondContact O-N 2.94Å; F73-I186 HydrophobicContact CD1-CG2 4.4Å; F73-I186 HydrophobicContact CE1-CG2 4.41Å; F73-R188 HydrophobicContact CE1-CG 4.45Å
74F32.3Very low29.9Very low166 Ų166135.1 Ų135.173%0.72870%0.704SS**  trans-83.6109.1171.2-77-91.2000110.3
75V28.9Very low29.8Very low140 Ų140137.1 Ų137.185%0.84871%0.713SS**  trans-84.2132.7163.5-177.40000108F73F73-V75 PolarHBondContact O-N 2.94Å
76G31.6Very low29.6Very low66 Ų66137.4 Ų137.468%0.6872%0.723SS**  trans-120.1144.3175.600000111.1
77D31.7Very low29.4Very low157 Ų157138.8 Ų138.884%0.8473%0.731SS**  trans-72.4171.4-173.1-61.5-52.4000114.2
78E29.2Very low29.4Very low144 Ų144137 Ų13767%0.67373%0.726SS**  trans-55.4138.3-172.4-66.6-166.195.200114.4R182E78-R182 VanDerWaalsContact CD-NH2 3.27Å; E78-R182 IonicContact OE1-CZ 3.19Å; E78-R182 IonicContact OE1-NE 2.71Å; E78-R182 PolarHBondContact OE1-NE 3.05Å; E78-R182 IonicContact OE1-NH2 2.84Å; E78-R182 PolarHBondContact OE1-NH2 3.28Å; E78-R182 IonicContact OE2-CZ 3.96Å; E78-R182 IonicContact OE2-NH2 2.93Å; E78-R182 PolarHBondContact OE2-NH2 3.15Å
79I30Very low29.2Very low147 Ų147134.5 Ų134.575%0.75473%0.728SS**  trans-112.6111166.7-59.9177.6000108.2I81I79-I81 HydrophobicContact CG2-CG1 4.22Å; I79-I81 PolarHBondContact O-N 3.02Å
80E27.4Very low29.2Very low140 Ų140134.7 Ų134.765%0.65473%0.734SS**  trans-74.4115.5171.1-171.2-175.7-173.600109.9R82E80-R82 HydrophobicContact CG-CG 4.31Å; E80-R82 IonicContact OE1-CZ 3.16Å; E80-R82 IonicContact OE1-NE 2.73Å; E80-R82 PolarHBondContact OE1-NE 3.44Å; E80-R82 IonicContact OE1-NH2 2.73Å; E80-R82 PolarHBondContact OE1-NH2 3.42Å; E80-R82 IonicContact OE2-CZ 3.88Å; E80-R82 IonicContact OE2-NE 3.71Å; E80-R82 IonicContact OE2-NH2 3.35Å; E80-R82 PolarHBondContact OE2-NH2 2.96Å
81I29.2Very low29.1Very low122 Ų122136.4 Ų136.463%0.62674%0.739SS**  trans-99.1106.9175.4-56.2177.8000108.8I79I79-I81 HydrophobicContact CG2-CG1 4.22Å; I79-I81 PolarHBondContact O-N 3.02Å
82R28.2Very low29.3Very low181 Ų181136.9 Ų136.968%0.68374%0.741SS**  trans-102133.8166.5-63.5-172.4-176.1179.47109.8E80 S84E80-R82 HydrophobicContact CG-CG 4.31Å; E80-R82 IonicContact OE1-CZ 3.16Å; E80-R82 IonicContact OE1-NE 2.73Å; E80-R82 PolarHBondContact OE1-NE 3.44Å; E80-R82 IonicContact OE1-NH2 2.73Å; E80-R82 PolarHBondContact OE1-NH2 3.42Å; E80-R82 IonicContact OE2-CZ 3.88Å; E80-R82 IonicContact OE2-NE 3.71Å; E80-R82 IonicContact OE2-NH2 3.35Å; E80-R82 PolarHBondContact OE2-NH2 2.96Å; R82-S84 PolarHBondContact O-N 3.27Å
83E30.6Very low29.4Very low138 Ų138136.7 Ų136.765%0.64574%0.74SS**  trans-75.5104.4167.7-70-160.614200109.9T85E83-T85 PolarHBondContact O-N 3.45Å
84S29.8Very low29.7Very low113 Ų113137.6 Ų137.679%0.7975%0.751SS**  trans-75.699.4171.6-620000110.1R82 S86R82-S84 PolarHBondContact O-N 3.27Å; S84-S86 PolarHBondContact O-N 2.85Å; S84-S86 VanDerWaalsContact O-N 3.16Å
85T28.5Very low29.8Very low128 Ų128135.4 Ų135.479%0.78575%0.751SS**  trans-62.3114.3171.843.70000110.2E83 L87E83-T85 PolarHBondContact O-N 3.45Å; T85-L87 PolarHBondContact O-N 3.01Å
86S27.8Very low30.2Very low106 Ų106132.6 Ų132.674%0.74174%0.742SS**  trans-77.592.1-174.345.40000112.1S84 V88S84-S86 PolarHBondContact O-N 2.85Å; S84-S86 VanDerWaalsContact O-N 3.16Å; S86-V88 PolarHBondContact O-N 3.23Å
87L26.6Very low30.5Very low171 Ų171136.4 Ų136.490%0.89575%0.747SS**  trans-67.497.5163.3-69.6-179.4000109.5T85 S89T85-L87 PolarHBondContact O-N 3.01Å; L87-S89 PolarHBondContact O-N 3.26Å; L87-S89 VanDerWaalsContact O-N 3.13Å
88V28.4Very low30.8Very low120 Ų120133.2 Ų133.273%0.72774%0.737SS**  trans-74100.4178.9174.70000110S86S86-V88 PolarHBondContact O-N 3.23Å
89S25.7Very low31.4Very low102 Ų102133.4 Ų133.471%0.71374%0.743SS**  trans33.3100.8150.462.40000118.5L87L87-S89 PolarHBondContact O-N 3.26Å; L87-S89 VanDerWaalsContact O-N 3.13Å
90S28.7Very low31.8Very low119 Ų119135 Ų13583%0.83275%0.747SS**  trans-14963.1152.666.40000111.5
91F27.1Very low32.3Very low209 Ų209133.6 Ų133.692%0.91775%0.753SS**  trans-98.5116.3157.8-81.9-79.1000108.1
92L34.6Very low32.5Very low150 Ų150133.1 Ų133.179%0.78576%0.76SS**  trans-179.8137.5132.1-92.5166.3000109.1
93D33.2Very low32.8Very low129 Ų129128.2 Ų128.269%0.6977%0.766SS**  trans60.992.6146.4-51.6-10.3000120.5
94D33.7Very low32.8Very low141 Ų141133.1 Ų133.175%0.75478%0.78SS**  114.113498.2-103.1-23.9000123
95T34.6Very low33Very low121 Ų121132.8 Ų132.874%0.74278%0.784SS**  trans61114.7156.536.50000123.6
96A38.4Very low33Very low80 Ų80132 Ų13266%0.66178%0.784SS**  92.7135.9119.400000121.6
97N36.9Very low33.3Very low147 Ų147132.7 Ų132.779%0.78679%0.787SS**  trans71.4109.3148.9-64.42.6000116.8
98S39.1Very low33.4Very low89 Ų89130.4 Ų130.462%0.62278%0.78SS**  70.1136.880.677.20000113.5
99D40Very low33.7Very low148 Ų148133.3 Ų133.379%0.79179%0.786SS**  cis-164.4166.4-3.8-114.6-34.2000109.8
100E40.3Very low34.2Very low181 Ų181133.4 Ų133.485%0.84679%0.787SS**  trans50.3147.7155.7-65.5-159.213700124.3
101S37.1Very low34.6Very low111 Ų111131.9 Ų131.978%0.77678%0.776SS**  trans90122.6141.1-150.70000122.3
102S34.1Very low35.1Very low112 Ų112128.2 Ų128.278%0.78377%0.766SS**  trans-45.2158.316855.40000119.1
103G34.1Very low35.1Very low77 Ų77128.1 Ų128.179%0.79477%0.766SS**  trans-170.4121161.100000114.4
104Y30Very low35Very low241 Ų241128.4 Ų128.495%0.94578%0.777SS**  trans-76.9143.9171.7-77.7-110.9000111.9
105A33.8Very low35Very low106 Ų106127 Ų12788%0.87678%0.778SS**  trans-164.5160.4148.100000112.2
106S28.8Very low35.2Very low113 Ų113127.1 Ų127.179%0.7978%0.781SS**  trans-150.6125.2178.8176.90000113.2
107C33.4Very low34.9Very low119 Ų119131 Ų13180%0.80479%0.79SS**  trans-173.4131.1157.349.70000107.5
108V28.8Very low34.5Very low124 Ų124132.3 Ų132.375%0.75280%0.796SS**  cis80.9138.239.1-176.40000112.7
109Q35.4Very low34.1Very low181 Ų181133.3 Ų133.385%0.84680%0.799SS**  trans81.9142.6-168.6-56.6175.6-7.500113.5
110S35.6Very low33.4Very low104 Ų104133.5 Ų133.573%0.72779%0.794SS**  cis-169.8162.9-8.3-99.20000109.2
111S37.9Very low33Very low86 Ų86132.3 Ų132.360%0.60179%0.79SS**  cis-175.8159.9-14.554.30000111.6
112N37.6Very low32.5Very low133 Ų133132.9 Ų132.971%0.71179%0.785SS**  trans75.7114.8151.5-59.7-13.6000122.6
113N34.1Very low32.3Very low148 Ų148135.4 Ų135.479%0.79179%0.79SS**  59.7115.3127-53-10.6000121.8
114C31.8Very low32Very low135 Ų135140.7 Ų140.791%0.91279%0.794SS**  -161.4166.9105.1-130.60000113.6
115S34.2Very low31.9Very low110 Ų110135.2 Ų135.277%0.76979%0.791SS**  trans-78.6159.9-167.2-62.60000115.3
116P37.2Very low31.8Very low124 Ų124135.3 Ų135.381%0.80579%0.785SS**  trans-80.2154-168.932.9-37.1000114.2
117N33.6Very low31.8Very low162 Ų162141.3 Ų141.387%0.86679%0.79SS**  trans-143.1152.3164.7-113.6-52.6000111.5V119N117-V119 PolarHBondContact O-N 3Å
118L28.1Very low31.6Very low175 Ų175140.9 Ų140.992%0.91679%0.786SS**  trans-77.2106.1-171.6-175.572.7000111.4
119V30.4Very low31.5Very low110 Ų110140.2 Ų140.267%0.66778%0.782SS**  trans-124123.6170.6-177.30000110.2N117 M121N117-V119 PolarHBondContact O-N 3Å; V119-M121 HydrophobicContact CG1-CE 4.35Å; V119-M121 HydrophobicContact CG1-CG 4.3Å; V119-M121 PolarHBondContact O-N 2.97Å
120H25.1Very low31.2Very low152 Ų152137.3 Ų137.370%0.70478%0.777SS**  trans-78.4108.4177.9-178.649.7000109.6N122H120-N122 PolarHBondContact CE1-OD1 3.49Å
121M31.5Very low30.7Very low155 Ų155138.5 Ų138.576%0.76478%0.775SS**  trans-119.3108.4173.8-74.5-76.797.300109.7V119V119-M121 HydrophobicContact CG1-CE 4.35Å; V119-M121 HydrophobicContact CG1-CG 4.3Å; V119-M121 PolarHBondContact O-N 2.97Å
122N26.5Very low30.1Very low123 Ų123144.8 Ų144.866%0.65879%0.785SS**  trans-75.9134.3162.6-60.6-38.8000107.9H120H120-N122 PolarHBondContact CE1-OD1 3.49Å
123N31.3Very low29.7Very low166 Ų166146.3 Ų146.389%0.88879%0.792SS**  trans-147.2125.2162.4-125.6-10.4000109
124E27.6Very low29.4Very low187 Ų187143.6 Ų143.687%0.87478%0.78SS**  trans-85.8132.6-170.4-65.8165.992.900111.3
125S28.2Very low29.2Very low126 Ų126142.8 Ų142.888%0.88177%0.773SS**  trans-152.656.5163.9-162.10000111.4
126S30.4Very low29Very low108 Ų108144 Ų14476%0.75578%0.776SS**  trans-120.477.217256.80000109.3
127R29.1Very low28.7Very low239 Ų239142.6 Ų142.690%0.90277%0.77SS**  trans-59.1129.9174-95.5-176.6169.8178.4-2.7109.9
128P28.7Very low28.6Very low111 Ų111140.4 Ų140.472%0.72176%0.758SS**  trans-75.4132.3170.330.4-32.7000110.5T130P128-T130 PolarHBondContact O-N 3.18Å
129T27.9Very low28.7Very low109 Ų109137.3 Ų137.367%0.66975%0.746SS**  trans-75.5102.7173.5-53.60000110.4L131T129-L131 PolarHBondContact O-N 2.92Å
130T27.5Very low28.6Very low120 Ų120140.8 Ų140.874%0.73675%0.753SS**  trans-84.799.6176.3-57.10000110.8P128 R132P128-T130 PolarHBondContact O-N 3.18Å; T130-R132 PolarHBondContact O-N 3.45Å
131L27.1Very low28.7Very low129 Ų129138.1 Ų138.168%0.67575%0.751SS**  trans-68117.4168.3-75.1169.8000110.2T129T129-L131 PolarHBondContact O-N 2.92Å
132R24.8Very low28.5Very low218 Ų218140.2 Ų140.282%0.82376%0.756SS**  trans-117.6101.6179.3-169.9-176.4-169.3177.95.1110.3T130 V134T130-R132 PolarHBondContact O-N 3.45Å; R132-V134 HydrophobicContact CG-CG2 4.11Å
133I27.8Very low28.5Very low165 Ų165140.4 Ų140.485%0.84676%0.762SS**  trans-78.8123.6173.2-57.3175.3000108.3
134V27.8Very low28.5Very low91 Ų91139 Ų13955%0.55276%0.76SS**  trans-118.2119.2178.6-179.90000109.2R132 T136R132-V134 HydrophobicContact CG-CG2 4.11Å; V134-T136 PolarHBondContact O-N 2.98Å
135P27.4Very low28.4Very low119 Ų119138.2 Ų138.277%0.77376%0.761SS**  trans-78.6102.1177.530.6-32.6000110.7S137P135-S137 PolarHBondContact O-N 3.37Å
136T30.6Very low28.4Very low134 Ų134137.1 Ų137.182%0.82275%0.753SS**  trans-85.2100.5177.154.30000111.6V134V134-T136 PolarHBondContact O-N 2.98Å
137S31.1Very low28.3Very low96 Ų96137.7 Ų137.767%0.67176%0.755SS**  trans-88.8144.8172.652.80000113.2P135P135-S137 PolarHBondContact O-N 3.37Å
138D31.4Very low28.1Very low115 Ų115134.8 Ų134.862%0.61575%0.751SS**  trans78.686.4150.7-56.1-20.9000122.3
139T29.8Very low28Very low111 Ų111138.7 Ų138.768%0.68176%0.757SS**  66.1110.8126.372.20000121.2
140K29.8Very low27.9Very low183 Ų183141.1 Ų141.180%0.79676%0.764SS**  157.3133.2109.8-86.8154.6-171.91690112
141S26.9Very low27.7Very low96 Ų96143.7 Ų143.767%0.67177%0.767SS**  trans55.9135.9165.4510000116.5
142F27.8Very low27.6Very low199 Ų199143.8 Ų143.887%0.87377%0.773SS**  cis-147.9-174.945.3-92.5-83.2000113.2
143T25.9Very low27.6Very low127 Ų127138.9 Ų138.978%0.77977%0.767SS**  trans-110.1121.7-169.549.80000113.7
144T31.1Very low27.4Very low137 Ų137140.6 Ų140.684%0.8476%0.763SS**  trans-155.2125.415240.70000112.3
145N26Very low27.4Very low170 Ų170143.7 Ų143.791%0.90978%0.775SS**  trans-11111.8165-51.4-16000118.8
146S28.4Very low27.5Very low102 Ų102144.1 Ų144.171%0.71377%0.771SS**  trans-159.4140.5151.9-173.80000110H148S146-H148 PolarHBondContact O-N 3.27Å
147P27Very low27.6Very low121 Ų121143 Ų14379%0.78677%0.766SS**SBendtrans-92.129.4-162.137.6-38.6000115.9
148H26.1Very low27.5Very low177 Ų177144.2 Ų144.282%0.81977%0.771SS**  trans-122.9113174.5-72.5-3.2000110.8S146S146-H148 PolarHBondContact O-N 3.27Å
149K26Very low27.5Very low193 Ų193148 Ų14884%0.83979%0.785SS**  trans-14487.4-173.1-166.9179.5-175-177.70111.4
150I25.9Very low27.7Very low161 Ų161149.9 Ų149.983%0.82679%0.791SS**  trans-76.1132.5176.2-61.7176000109.5
151H22.9Very low27.6Very low174 Ų174150.9 Ų150.981%0.80680%0.795SS**  trans-86.7113.8175.5-108.8-45.9000110.4
152V25.6Very low27.8Very low131 Ų131150.6 Ų150.679%0.79479%0.79SS**  trans-102101.8168.6-177.40000109.3
153T25.2Very low28Very low114 Ų114146.6 Ų146.670%0.69978%0.782SS**  trans-83.6117176.7-58.70000109.8I155T153-I155 PolarHBondContact O-N 3.46Å
154R23.9Very low28Very low201 Ų201144.6 Ų144.676%0.75877%0.769SS**  trans-61.9110.6170.4-81.3-169.2-177.6173.44.6109.9
155I27.2Very low27.8Very low156 Ų156145.9 Ų145.980%0.877%0.766SS**  trans-91.8113.5156.7-59.2179.3000106.3T153T153-I155 PolarHBondContact O-N 3.46Å
156N29.1Very low27.8Very low129 Ų129141.3 Ų141.369%0.6975%0.752SS**PPolyproline II helixtrans-67.3131.6176.5-65.7-44.5000109.1
157P32.7Very low27.7Very low111 Ų111142.6 Ų142.672%0.72176%0.755SS**PPolyproline II helixtrans-64.4140.1171.827.8-33.6000109.7
158P29.5Very low27.6Very low120 Ų120143.9 Ų143.978%0.77975%0.754SS**PPolyproline II helixtrans-62.1156168.928.6-34.2000110.1N160P158-N160 PolarHBondContact O-N 3.11Å
159Q30.5Very low27.7Very low195 Ų195142.5 Ų142.591%0.91175%0.749SS**SBendtrans-67.185.9-170.6-64.3176.6-4.400113.1
160N33.4Very low27.7Very low151 Ų151143.3 Ų143.381%0.80775%0.752SS**  trans-155.5153.7160.4-99.3-37000112P158 T162P158-N160 PolarHBondContact O-N 3.11Å; N160-T162 PolarHBondContact O-N 3.46Å
161K29.4Very low27.8Very low203 Ų203138.9 Ų138.988%0.88374%0.736SS**  trans-9589.2-168.8-63.2174.8-177.3173.40112
162T30.9Very low28Very low90 Ų90136.6 Ų136.655%0.55274%0.739SS**  trans-99.9103.2174.9-48.70000110.8N160N160-T162 PolarHBondContact O-N 3.46Å
163T30.9Very low28.2Very low115 Ų115137.7 Ų137.771%0.70673%0.733SS**  trans-76.8131.9172.235.30000111.5
164V26.6Very low28.6Very low85 Ų85143.8 Ų143.852%0.51574%0.743SS.*  trans-110124.7174.1-177.50000109.1L187V164-L187 HydrophobicContact CG1-CB 4.35Å; V164-L187 HydrophobicContact CG1-CD1 4.35Å; V164-L187 HydrophobicContact CG1-CD2 4.03Å; V164-L187 HydrophobicContact CG1-CG 4.48Å
165Q26.1Very low29.2Very low164 Ų164140.1 Ų140.177%0.76674%0.738SS**  trans-110.2116.5176-174.3176.65.800109.9
166A26.2Very low29.7Very low75 Ų75139 Ų13962%0.6273%0.734SS**  trans-78.5124.7174.400000110.7L187A166-L187 HydrophobicContact CB-CD2 4.48Å
167V25.7Very low30.7Very low128 Ų128139.9 Ų139.978%0.77674%0.738SS**  trans-104.199.8175.6-179.50000109.1Q169V167-Q169 PolarHBondContact O-N 2.88Å
168L26.2Very low31.4Very low148 Ų148142 Ų14278%0.77574%0.744SS**  trans-79.298.9177.2-98.3161000110.9K170 F185L168-K170 PolarHBondContact O-N 3.12Å; L168-F185 HydrophobicContact CD2-CE1 4.3Å
169Q27.2Very low31.8Very low149 Ų149144.1 Ų144.170%0.69674%0.741SS**  trans-76.3118.1173.4-169.6169.4-4.700110.2V167 S171V167-Q169 PolarHBondContact O-N 2.88Å; Q169-S171 PolarHBondContact O-N 3.46Å
170K27.4Very low32.1Very low209 Ų209141 Ų14191%0.90974%0.737SS**  trans-77.675.5-169.6-169.3176.5-179173.80113.2L168L168-K170 PolarHBondContact O-N 3.12Å
171S28Very low32.1Very low69 Ų69139 Ų13948%0.48373%0.727SS.*  trans-70.6139.5163.345.10000110.9Q169 F173Q169-S171 PolarHBondContact O-N 3.46Å; S171-F173 WeakPolarHBondContact O-CD2 3.27Å; S171-F173 PolarHBondContact O-N 2.97Å; S171-F173 WeakPolarHBondContact OG-CE2 3.45Å; S171-F173 WeakPolarHBondContact OG-CZ 3.38Å
172S26.1Very low32.2Very low125 Ų125138.2 Ų138.287%0.87472%0.718SS**  trans-84.278.1-172.3-178.80000112.2
173F30.4Very low32.2Very low155 Ų155137.8 Ų137.868%0.6872%0.715SS**PPolyproline II helixtrans-70.7141.1173-63.7-74.2000112S171S171-F173 WeakPolarHBondContact O-CD2 3.27Å; S171-F173 PolarHBondContact O-N 2.97Å; S171-F173 WeakPolarHBondContact OG-CE2 3.45Å; S171-F173 WeakPolarHBondContact OG-CZ 3.38Å
174R32.5Very low32.1Very low241 Ų241140.9 Ų140.991%0.90972%0.721SS**PPolyproline II helixtrans-97.8137156.8-71.5-176.6173-169.4-3.7107.2
175L38.1Very low32.2Very low124 Ų124143.7 Ų143.765%0.64973%0.727SS**PPolyproline II helixtrans-80.9141.3166.7-86.259.8000108.7
176D37.5Very low32.4Very low132 Ų132143 Ų14371%0.70673%0.727SS**  trans-104.1123.2154.8-81.6-41.1000106.7N178D176-N178 PolarHBondContact O-N 3.23Å
177D49.3Very low32.5Very low148 Ų148143.4 Ų143.479%0.79172%0.718SS**THydrogen-bonded Turntrans-69.17.1-166.2-55.4-46.9000115.6
178N46.8Very low32.8Very low155 Ų155146.2 Ų146.283%0.82972%0.715SS**THydrogen-bonded Turntrans-130.114.6-169.6-73.6-77.5000114.8D176D176-N178 PolarHBondContact O-N 3.23Å
179K38.7Very low33.2Very low165 Ų165141.5 Ų141.572%0.71769%0.693SS**SBendtrans-139.2139.7174.3-69.9-173.2178.3179.20112.8N181K179-N181 PolarHBondContact O-N 2.98Å
180P35.9Very low33.5Very low129 Ų129139 Ų13984%0.83868%0.684SS**  trans-70117174.328.7-33.4000110.5R182P180-R182 PolarHBondContact O-N 3.37Å
181N33.7Very low34Very low110 Ų110133.9 Ų133.959%0.58867%0.672SS**  trans-84.1105.5-179.1-71.3-60.8000111.1K179K179-N181 PolarHBondContact O-N 2.98Å
182R32Very low34.6Very low187 Ų187136 Ų13671%0.70669%0.685SS**  trans-73.1134.3169.1-79176.6152.2154.1-7.3110.6E78 P180E78-R182 VanDerWaalsContact CD-NH2 3.27Å; E78-R182 IonicContact OE1-CZ 3.19Å; E78-R182 IonicContact OE1-NE 2.71Å; E78-R182 PolarHBondContact OE1-NE 3.05Å; E78-R182 IonicContact OE1-NH2 2.84Å; E78-R182 PolarHBondContact OE1-NH2 3.28Å; E78-R182 IonicContact OE2-CZ 3.96Å; E78-R182 IonicContact OE2-NH2 2.93Å; E78-R182 PolarHBondContact OE2-NH2 3.15Å; P180-R182 PolarHBondContact O-N 3.37Å
183V30.8Very low35Very low81 Ų81137.2 Ų137.249%0.49168%0.681SS.*  trans-133.4126176-174.90000109.3F185V183-F185 HydrophobicContact CB-CE2 4.02Å; V183-F185 HydrophobicContact CB-CZ 3.95Å; V183-F185 HydrophobicContact CG1-CD1 4.43Å; V183-F185 HydrophobicContact CG1-CE1 3.77Å; V183-F185 HydrophobicContact CG1-CE2 3.85Å; V183-F185 HydrophobicContact CG1-CZ 3.44Å; V183-F185 VanDerWaalsContact CG1-CZ 3.44Å
184H28.7Very low35.3Very low179 Ų179132.7 Ų132.783%0.82967%0.669SS**  trans-92141.4173.8-63.3-86.3000110.6
185F28.8Very low35.3Very low144 Ų144127 Ų12763%0.63267%0.666SS**  trans-126.6145.1176.3-56.4-82.6000109.9L168 V183L168-F185 HydrophobicContact CD2-CE1 4.3Å; V183-F185 HydrophobicContact CB-CE2 4.02Å; V183-F185 HydrophobicContact CB-CZ 3.95Å; V183-F185 HydrophobicContact CG1-CD1 4.43Å; V183-F185 HydrophobicContact CG1-CE1 3.77Å; V183-F185 HydrophobicContact CG1-CE2 3.85Å; V183-F185 HydrophobicContact CG1-CZ 3.44Å; V183-F185 VanDerWaalsContact CG1-CZ 3.44Å
186I29.5Very low35.2Very low149 Ų149128.8 Ų128.876%0.76467%0.671SS**  trans-116.5117.6173.6-58.3175.6000107.8F73F73-I186 HydrophobicContact CD1-CG2 4.4Å; F73-I186 HydrophobicContact CE1-CG2 4.41Å
187L29.5Very low34.9Very low85 Ų85132.1 Ų132.145%0.44568%0.679SS.*  trans-95133.5172.5-62.9175.9000109.2V164 A166V164-L187 HydrophobicContact CG1-CB 4.35Å; V164-L187 HydrophobicContact CG1-CD1 4.35Å; V164-L187 HydrophobicContact CG1-CD2 4.03Å; V164-L187 HydrophobicContact CG1-CG 4.48Å; A166-L187 HydrophobicContact CB-CD2 4.48Å
188R31.4Very low33.9Very low186 Ų186132 Ų13270%0.70268%0.684SS**  trans-116122.3175.7-170.1-175.2-63.7162.11108.9F73F73-R188 HydrophobicContact CE1-CG 4.45Å
189P34.5Very low32.9Very low49 Ų49130 Ų13032%0.31868%0.677SS.*PPolyproline II helixtrans-60.8146.6172.9-22.533.9000111.8D72D72-P189 WeakPolarHBondContact O-CD 3.43Å
190L34.2Very low32.3Very low98 Ų98125.9 Ų125.951%0.51367%0.669SS.*PPolyproline II helixtrans-91.3145.5163.9-98.369.5000109.9
191P38.6Very low31.8Very low100 Ų100128.4 Ų128.465%0.64967%0.674SS**PPolyproline II helixtrans-66.1152.517229.2-34.6000111.3D193P191-D193 VanDerWaalsContact C-N 3.29Å; P191-D193 PolarHBondContact O-N 3.48Å; P191-D193 VanDerWaalsContact O-N 3.14Å
192P39.3Very low31.5Very low115 Ų115129 Ų12975%0.74768%0.678SS**THydrogen-bonded Turntrans-73.8-6.3-162.228.4-36.8000116.5
193D34Very low31.2Very low149 Ų149128.6 Ų128.680%0.79768%0.684SS**THydrogen-bonded Turntrans-94.74.9-165.2-61.8-45.8000115.6P191 S195P191-D193 VanDerWaalsContact C-N 3.29Å; P191-D193 PolarHBondContact O-N 3.48Å; P191-D193 VanDerWaalsContact O-N 3.14Å; D193-S195 PolarHBondContact O-N 3.37Å
194S37.1Very low31.1Very low60 Ų60130.9 Ų130.942%0.4269%0.692SS.*  trans-85.3105.3-179.769.80000112.7H196S194-H196 VanDerWaalsContact C-N 3.25Å; S194-H196 PolarHBondContact O-N 2.92Å
195S32Very low30.9Very low123 Ų123128.9 Ų128.986%0.8669%0.687SS**  trans-7755.8-175.851.10000114.8D193D193-S195 PolarHBondContact O-N 3.37Å
196H36.4Very low31Very low161 Ų161129.4 Ų129.475%0.74570%0.696SS**PPolyproline II helixtrans-91.9142.9179-65.2-55000113.3S194S194-H196 VanDerWaalsContact C-N 3.25Å; S194-H196 PolarHBondContact O-N 2.92Å
197K32.8Very low30.9Very low202 Ų202129 Ų12988%0.87869%0.691SS**PPolyproline II helixtrans-65136.5-176.4-90.1-177.9173.4177.80111.9V199K197-V199 PolarHBondContact O-N 3.48Å
198T27.4Very low30.8Very low145 Ų145133.1 Ų133.189%0.8971%0.713SS**PPolyproline II helixtrans-57.9128.2165.5-16.10000110.5
199V25.2Very low30.8Very low112 Ų112132.3 Ų132.368%0.67972%0.715SS**  trans-118.5124.3163.9179.40000105.9K197 I204K197-V199 PolarHBondContact O-N 3.48Å; V199-I204 HydrophobicContact CG1-CD1 4.47Å
200S26.2Very low30.5Very low80 Ų80135.2 Ų135.256%0.55974%0.736SS**  trans-67.7146.1175.4-154.90000109.2D202S200-D202 PolarHBondContact O-N 3.01Å; S200-D202 PolarHBondContact OG-OD2 3.31Å
201L26.6Very low30.2Very low182 Ų182136.4 Ų136.495%0.95375%0.753SS**SBendtrans-89.738.7176.6-115.6163.8000111.8
202D26.6Very low29.7Very low122 Ų122135.2 Ų135.265%0.65276%0.759SS**SBendtrans-113.2137.5169-59.3-73.4000108.2S200S200-D202 PolarHBondContact O-N 3.01Å; S200-D202 PolarHBondContact OG-OD2 3.31Å
203E26.5Very low29Very low178 Ų178139.6 Ų139.683%0.83277%0.766SS**  trans58.967167.9-160.3166.1-128.800117.4
204I27.7Very low28.8Very low129 Ų129138.7 Ų138.766%0.66277%0.768SS**  trans-124.496.5154-52.5-177.5000109.7V199 L206V199-I204 HydrophobicContact CG1-CD1 4.47Å; I204-L206 HydrophobicContact CG2-CD1 3.88Å
205N25.7Very low28.4Very low138 Ų138141.3 Ų141.374%0.73879%0.787SS**  trans-76.4128.1172.7-69.5-66.5000110.7
206L29.4Very low28.1Very low155 Ų155145.6 Ų145.681%0.81279%0.785SS**  trans-111.988.5165.2-77.890.7000109.9I204I204-L206 HydrophobicContact CG2-CD1 3.88Å
207E28.9Very low27.8Very low141 Ų141146.3 Ų146.366%0.65979%0.794SS**  trans-68.7135.4162.5-71.3-170.4140.100110.3K209E207-K209 PolarHBondContact O-N 3Å; E207-K209 VanDerWaalsContact O-N 3.1Å; E207-K209 IonicContact OE2-NZ 2.62Å; E207-K209 PolarHBondContact OE2-NZ 3.46Å
208N26Very low27.5Very low170 Ų170141.6 Ų141.691%0.90978%0.778SS**  trans-69.9104.3168.8-76.3-45000110
209K31.7Very low27.8Very low169 Ų169143.7 Ų143.774%0.73578%0.778SS**  trans-116.4114.7165.8-85.5167.2177.6146.70110.7E207E207-K209 PolarHBondContact O-N 3Å; E207-K209 VanDerWaalsContact O-N 3.1Å; E207-K209 IonicContact OE2-NZ 2.62Å; E207-K209 PolarHBondContact OE2-NZ 3.46Å
210S27.6Very low27.8Very low110 Ų110145.2 Ų145.277%0.76978%0.777SS**  trans-72.2157.7177.655.20000112.5
211S28.9Very low28.1Very low124 Ų124147.3 Ų147.387%0.86779%0.792SS**  trans74.3152.9175.584.70000116
212G28.2Very low28Very low75 Ų75145.1 Ų145.177%0.77378%0.782SS**  trans110.2119177.400000113.8
213K25.3Very low28.2Very low207 Ų207147.8 Ų147.890%0.980%0.795SS**PPolyproline II helixtrans-75.8134172.3-56.6164.7-177.2170.80109.4
214P29.4Very low28.5Very low129 Ų129145.4 Ų145.484%0.83879%0.792SS**PPolyproline II helixtrans-80.2127.1162.931.5-30.7000110
215S29Very low28.5Very low116 Ų116145.4 Ų145.481%0.81179%0.794SS**PPolyproline II helixtrans-89.5146168.847.80000110.9
216Y25.4Very low28.8Very low212 Ų212144 Ų14483%0.83179%0.792SS**PPolyproline II helixtrans-55.8144.7174.4-71.2-95000112.8
217L29.6Very low28.9Very low177 Ų177146 Ų14693%0.92779%0.794SS**  trans-140.7161.6130.3-109.5174.5000109.7
218N27Very low28.8Very low103 Ų103143.8 Ų143.855%0.55180%0.795SS**  trans-115.3157.5-164-173.434.3000110.5H220N218-H220 PolarHBondContact ND2-CD2 3.46Å; N218-H220 VanDerWaalsContact ND2-CD2 3.3Å; N218-H220 PolarHBondContact ND2-NE2 3.22Å
219E32.6Very low28.8Very low188 Ų188142.8 Ų142.888%0.87979%0.788SS**  -167.6158123.2-111.1172.7-155.800113.6
220H25.8Very low28.7Very low144 Ų144146.3 Ų146.367%0.66780%0.799SS**  trans-104.4144.6-169.3-60.4-88.2000112.5N218N218-H220 PolarHBondContact ND2-CD2 3.46Å; N218-H220 VanDerWaalsContact ND2-CD2 3.3Å; N218-H220 PolarHBondContact ND2-NE2 3.22Å
221S32.1Very low28.8Very low125 Ų125150 Ų15087%0.87480%0.801SS**  trans-145.3138.1141.153.50000109.6
222N25.8Very low28.6Very low136 Ų136152.7 Ų152.773%0.72780%0.798SS**  trans-102.2143.7-174.4-52.7-79.1000109.9
223L29.9Very low28.6Very low177 Ų177156.5 Ų156.593%0.92780%0.799SS**  trans-145.8148.5144.7-139.568.4000112.1
224T32.2Very low28.6Very low128 Ų128154.1 Ų154.179%0.78579%0.791SS**  trans-90.1139.4-155.344.30000115
225N28.1Very low28.6Very low130 Ų130153.6 Ų153.670%0.69579%0.785SS**  trans-62.4140.5168.6176.38.6000113.3K227N225-K227 PolarHBondContact OD1-N 3.31Å
226P32.6Very low28.5Very low108 Ų108154.3 Ų154.370%0.70178%0.78SS**  trans-117106153.434.6-22000112.7
227K29.9Very low28.8Very low196 Ų196153.5 Ų153.585%0.85278%0.781SS**  trans-82.3109.1154.4-80.8-170.1174.9-172.80108.6N225N225-K227 PolarHBondContact OD1-N 3.31Å
228S27.4Very low28.8Very low96 Ų96151.8 Ų151.867%0.67177%0.771SS**  trans-156.6165.416762.10000111.5
229L27.2Very low28.9Very low148 Ų148154.8 Ų154.878%0.77578%0.782SS**  trans67.769173.4-55.4175.6000117.3
230Y28.3Very low29.1Very low243 Ų243154.9 Ų154.995%0.95378%0.782SS**  -115.6125.6121.9-93.6-91.2000108.1
231K30.2Very low29.3Very low187 Ų187154.6 Ų154.681%0.81379%0.786SS**  trans-134.8135.5-178-176178.7179.4-177.40108.4L233K231-L233 PolarHBondContact O-N 3.45Å
232F24.4Very low29.8Very low182 Ų182154.2 Ų154.280%0.79878%0.78SS**  trans-49.1132.7-178.5-76.4-96.4000113.5
233L28.3Very low30Very low155 Ų155153.9 Ų153.981%0.81278%0.783SS**  trans-128.398.3149-81.9174.4000108.5K231 V235K231-L233 PolarHBondContact O-N 3.45Å; L233-V235 HydrophobicContact CB-CG2 4.44Å
234H25.8Very low30.3Very low157 Ų157156.2 Ų156.273%0.72778%0.781SS**  trans-67.2134149.9-86.465.1000107.2
235V29.2Very low30.3Very low118 Ų118156.2 Ų156.272%0.71578%0.776SS**  trans-132.1109.3167.2-179.90000107.8L233L233-V235 HydrophobicContact CB-CG2 4.44Å
236N27.8Very low30.7Very low131 Ų131161.7 Ų161.770%0.70179%0.787SS**  trans-72.3134.3175.7-61.2-1.7000109.8
237K31.6Very low30.6Very low195 Ų195161.9 Ų161.985%0.84879%0.79SS**  trans-126.199.1149.9-83.3-171.8166.8-168.20105.5
238I29.5Very low30.8Very low140 Ų140155.3 Ų155.372%0.71878%0.779SS**  67.8110.676.6-62.5169.1000109.4
239E29.2Very low31.2Very low166 Ų166157.3 Ų157.378%0.77679%0.787SS**  trans-69.1148.5175.5-57.3127.5120.600111.6
240E35.5Very low31.6Very low190 Ų190156.4 Ų156.489%0.88879%0.787SS**  trans-140104.4146.3-75.1-164.9176.600108.3
241D31.1Very low32Very low139 Ų139151.6 Ų151.674%0.74377%0.773SS**  trans-83.2129.4174.5-85.7-32.8000111.2V243D241-V243 PolarHBondContact O-N 2.71Å; D241-V243 VanDerWaalsContact O-N 3.16Å
242P41.8Very low32.2Very low117 Ų117147.9 Ų147.976%0.7677%0.771SS**  trans-80.890.8167.732.3-31.9000110.5Y244P242-Y244 PolarHBondContact O-N 3.35Å
243V31.1Very low32.6Very low128 Ų128145.8 Ų145.878%0.77677%0.767SS**  trans-60.2128.9171.5176.80000110.5D241D241-V243 PolarHBondContact O-N 2.71Å; D241-V243 VanDerWaalsContact O-N 3.16Å
244Y36Very low32.8Very low227 Ų227145.6 Ų145.689%0.8977%0.772SS**  trans-129.3122.7163-110.7-83.3000111.3P242P242-Y244 PolarHBondContact O-N 3.35Å
245D30.9Very low33.1Very low127 Ų127143.6 Ų143.668%0.67978%0.776SS**  trans-87.5135.8-179.7166.830.5000111.4S247D245-S247 PolarHBondContact OD1-N 2.89Å
246R36.5Very low33.3Very low246 Ų246144.4 Ų144.493%0.92879%0.786SS**  trans-151.191.9142.3-126.7179.6-172.4-158.30.7114
247S31.8Very low33.5Very low111 Ų111141.2 Ų141.278%0.77678%0.784SS**  trans-53.3148.2164.6-179.60000114.6D245D245-S247 PolarHBondContact OD1-N 2.89Å
248G34.5Very low33.9Very low59 Ų59137.3 Ų137.361%0.60878%0.781SS**  trans163.6110.7158.900000117.7
249V35.7Very low34Very low138 Ų138139.3 Ų139.384%0.83679%0.787SS**  trans65.9106148.2-172.90000116.1
250V34.6Very low34.4Very low129 Ų129136.1 Ų136.178%0.78278%0.784SS**  cis66.8120.541.4-170.40000113
251E35.7Very low34.5Very low141 Ų141131.9 Ų131.966%0.65978%0.775SS**  cis-122.3-140.82.8-144.7-156.3-106.200109.2L253E251-L253 WeakPolarHBondContact OE2-CG 3.44Å; E251-L253 PolarHBondContact OE2-N 3.19Å; E251-L253 VanDerWaalsContact OE2-N 3.15Å
252S35.1Very low34.8Very low110 Ų110130.3 Ų130.377%0.76978%0.775SS**  cis-141.5159.46.7-118.40000116.3
253L32.2Very low34.7Very low138 Ų138134.2 Ų134.272%0.72378%0.783SS**  trans-62.2147.5174-62.8157.3000115.9E251E251-L253 WeakPolarHBondContact OE2-CG 3.44Å; E251-L253 PolarHBondContact OE2-N 3.19Å; E251-L253 VanDerWaalsContact OE2-N 3.15Å
254T34.2Very low34.9Very low150 Ų150133.5 Ų133.592%0.9278%0.784SS**  -175.7165.1106.524.90000112.6
255S31Very low35.3Very low116 Ų116129.8 Ų129.881%0.81178%0.779SS**  trans-147.3136.8-175.1175.10000112.4
256C33.7Very low35.7Very low134 Ų134127.8 Ų127.891%0.90578%0.775SS**  trans-178.1150.8158-92.20000107.6
257G32.3Very low35.8Very low64 Ų64126.1 Ų126.166%0.6677%0.769SS**  cis148.3141.5-5.500000111.6
258S38.6Very low36.2Very low114 Ų114127.2 Ų127.280%0.79777%0.766SS**  trans70.3155.6166.4-64.20000118.1
259Q33Very low36.4Very low181 Ų181130.3 Ų130.385%0.84677%0.767SS**  cis-167.8-175.6-25.5-115.6173.64.100109.5
260S37.7Very low36.8Very low100 Ų100134.6 Ų134.670%0.69977%0.77SS**  trans80123.1175.7-1530000115
261S37.6Very low36.9Very low101 Ų101135.4 Ų135.471%0.70677%0.77SS**  cis76.5143.134.798.70000113.7
262S36.4Very low37.4Very low106 Ų106136.8 Ų136.874%0.74178%0.782SS**  cis-176.4153.4-15.6-98.30000107.7
263E40.4Very low37.7Very low198 Ų198138.7 Ų138.793%0.92578%0.783SS**  trans-175.5157.5144.4-107.8159.7-176.600113
264S36Very low38.1Very low114 Ų114140.4 Ų140.480%0.79779%0.79SS**  trans-155.1138.6-167.3-50.90000112.6
265D43.1Very low38.2Very low149 Ų149137.3 Ų137.380%0.79777%0.774SS**  trans-154.7141.5159.2-101.3-42.4000108
266S39.5Very low38.4Very low84 Ų84137 Ų13759%0.58777%0.771SS**  cis77.8132.731.5120.90000114
267R37.9Very low38.5Very low212 Ų212138.2 Ų138.280%0.876%0.763SS**  cis-158.7-158-5-136.7-170.4-148.6106.4-1.3110.5
268D40.3Very low38.6Very low133 Ų133142 Ų14271%0.71176%0.764SS**  trans80.6116166.2-50.5-22.2000117
269I38.8Very low38.4Very low124 Ų124142.1 Ų142.164%0.63676%0.755SS**  cis91.211747-68.7165.1000112.7
270Y43.8Very low38.4Very low229 Ų229139.7 Ų139.790%0.89875%0.748SS**  -172.5126.1127.5-103.1-67000111
271D38.5Very low38.3Very low146 Ų146141 Ų14178%0.78175%0.747SS**  trans-88.1164.2174-55.3-90.3000112.4
272D44.7Very low38Very low170 Ų170142.2 Ų142.291%0.90974%0.741SS**  trans-159.5144.5149-118.4-33.2000111.9
273D41.6Very low37.9Very low150 Ų150146.4 Ų146.480%0.80274%0.742SS**  trans-88.7154.1-164.9-82.2-59.6000116.2
274M40.5Very low38.1Very low173 Ų173142 Ų14285%0.85273%0.73SS**  179.7152.6110.5-104.9-68.9164.300117.1
275S36.2Very low38Very low85 Ų85143.3 Ų143.359%0.59473%0.728SS**  trans-79.3171.1178.772.10000114.2
276C35.5Very low37.7Very low111 Ų111141.7 Ų141.775%0.7572%0.719SS**  -150.8143.564.1-69.30000111.4
277H35.3Very low37.6Very low159 Ų159144.6 Ų144.674%0.73672%0.723SS**  57.6131.980.6-86.2-120.2000114
278E35.6Very low37.5Very low143 Ų143140.2 Ų140.267%0.66872%0.72SS**  cis-165.5155.126.8-123.9-177.7-143.700117.7
279N33.2Very low37.2Very low117 Ų117137.2 Ų137.263%0.62672%0.721SS**  trans55151.8135-71.3-13.8000125
280L34.9Very low37.1Very low130 Ų130139.6 Ų139.668%0.68173%0.727SS**  cis-173178.9-24.3-120.8178.9000112.8
281N34.4Very low36.7Very low128 Ų128137.1 Ų137.168%0.68472%0.721SS**  trans77.9136.5164.2-61.93.6000119.8
282E32.6Very low36.5Very low125 Ų125139 Ų13958%0.58472%0.723SS**  cis104145.222.7-72-177.6168.300114
283Y33.9Very low36Very low194 Ų194135.8 Ų135.876%0.76171%0.713SS**  cis-158.1-174.3-1.2-106.3-29.8000112.3
284P44.7Very low35.5Very low105 Ų105135.2 Ų135.268%0.68271%0.709SS**  trans-131.3-138.5-157.241.2-19000117.1
285L33.3Very low35.1Very low142 Ų142134 Ų13474%0.74371%0.706SS**  trans87.6154.2177-91.764.6000117.7
286D36.9Very low34.8Very low115 Ų115133.6 Ų133.662%0.61570%0.703SS**  cis-158.916810.7-141.6-8.6000119.7
287Q37.2Very low34.9Very low145 Ų145135.3 Ų135.368%0.67870%0.699SS**  trans60.2116.8144.9-87175.375.100129
288T35.3Very low34.8Very low120 Ų120135.2 Ų135.274%0.73670%0.699SS**  trans62.3144.6138.461.30000123
289G35.1Very low34.6Very low71 Ų71134.1 Ų134.173%0.73270%0.698SS**  cis-161.3-148.37.400000112.9
290F35.8Very low34.7Very low174 Ų174136 Ų13676%0.76371%0.707SS**  cis-153.3-1020.2-116.9-54.1000119.5
291K36.3Very low34.6Very low177 Ų177133.8 Ų133.877%0.7770%0.703SS**  trans-159.6165.5-162-74.5172.3-174.9172.70113.1
292K34.1Very low34.4Very low186 Ų186133.9 Ų133.981%0.80971%0.708SS**  cis-172170.8-20.8-106.8-164.9173.4-1700111.3
293S33.7Very low34.5Very low102 Ų102138 Ų13871%0.71372%0.718SS**  trans81.5154.9151.3-670000122
294L31Very low34.4Very low137 Ų137133.6 Ų133.672%0.71772%0.716SS**  cis-171.4153.3-25.7-106.4176.8000111.7
295L31.5Very low34Very low149 Ų149138.8 Ų138.878%0.7872%0.722SS**  trans63.5161.3154.6-62.6159.7000120.4
296S31.4Very low33.9Very low76 Ų76139.9 Ų139.953%0.53173%0.729SS.*  cis-178171.9-30.5-174.30000112.2
297H36.5Very low33.9Very low146 Ų146139.7 Ų139.768%0.67674%0.743SS**  trans78.4121.2164.9-57.6-64.5000118
298Q33.7Very low33.7Very low157 Ų157135.6 Ų135.673%0.73474%0.74SS**  90.5147.363-85.4-171.646.100113.4
299N31.9Very low33.7Very low120 Ų120136.9 Ų136.964%0.64275%0.748SS**  cis-166.3-178.6-1.9-137.7-34.9000112.3
300L35.3Very low33.8Very low157 Ų157138 Ų13882%0.82274%0.744SS**  trans70.7157157.6-62.8146.7000120
301S31.3Very low33.9Very low84 Ų84139.9 Ų139.959%0.58775%0.752SS**  cis-170.8134.8-27-167.10000115.3
302T32Very low33.8Very low130 Ų130135.2 Ų135.280%0.79876%0.755SS**  trans46.9144.1143.557.60000126.3
303R34Very low33.9Very low210 Ų210134.7 Ų134.779%0.79276%0.759SS**  trans123.2104.2135-164.7-179-167-178.16.3114.9
304S30.8Very low34.1Very low103 Ų103135.1 Ų135.172%0.7276%0.76SS**  80.2116.358.1-178.90000117.2
305R36.4Very low34.3Very low213 Ų213140.4 Ų140.480%0.80477%0.77SS**  trans-175.5152.9133.8-107.7174.6-69.5-178.92.6113.9
306N31.9Very low34.4Very low165 Ų165141.2 Ų141.288%0.88277%0.774SS**  trans-119.1152.3-179.4-66.7-5.4000112.7
307A36Very low34.8Very low111 Ų111142.1 Ų142.192%0.91778%0.781SS**  trans-178.1150.5149.800000109.1
308G34.4Very low34.6Very low60 Ų60141.9 Ų141.962%0.61978%0.784SS**  cis156148.9-9.200000112.3
309T35Very low34.9Very low146 Ų146141.8 Ų141.890%0.89679%0.788SS**  trans67.2151.8166.265.50000118.7
310S37.3Very low35.1Very low94 Ų94143.4 Ų143.466%0.65780%0.796SS**  cis-170.8143.5-19.251.70000114.3
311K36.5Very low35.4Very low215 Ų215142 Ų14294%0.93579%0.794SS**  trans57.4128.9141.6-64.4176.5-179.8-175.60121.8
312G34.4Very low35.8Very low79 Ų79143.4 Ų143.481%0.81480%0.801SS**  trans-162.5144.6159.600000110.2
313L37.5Very low36Very low174 Ų174145.7 Ų145.791%0.91180%0.801SS**  trans-114.9140.7-164.1-157.576000113
314P37.6Very low36.3Very low111 Ų111146.1 Ų146.172%0.72180%0.804SS**  trans-89.7176177.136.4-36.8000114
315R34.8Very low37Very low249 Ų249148 Ų14894%0.9481%0.806SS**  trans-139.7155.3166.4-94.5-165.6172.2-149.3-2112.3
316L34.2Very low37.3Very low165 Ų165142.7 Ų142.786%0.86479%0.793SS**  trans-64.3168.9173.4-58.4140.7000110.4
317S38.5Very low37.5Very low95 Ų95137.7 Ų137.766%0.66478%0.781SS**  cis-170156.839.552.90000114.2
318D34.1Very low37.7Very low141 Ų141137 Ų13775%0.75477%0.769SS**  trans49.7129.3145.7-42.4-20.2000122.2
319I39.9Very low38Very low156 Ų156140.6 Ų140.680%0.878%0.781SS**  -178.7129.3107.4-90.5158.3000110
320D35.1Very low38.3Very low154 Ų154138.2 Ų138.282%0.82477%0.771SS**  trans-79146.8173.9-70.9-69.7000112.8
321T41.9Very low38.4Very low127 Ų127139.8 Ų139.878%0.77977%0.772SS**  trans-154.4108.5155.6-43.70000110.8F323T321-F323 PolarHBondContact O-N 3.4Å
322P40.3Very low38.6Very low113 Ų113138.8 Ų138.873%0.73476%0.764SS**  trans-82.8116.5178.331.1-32000111.2
323F35.8Very low39.1Very low179 Ų179137.7 Ų137.779%0.78574%0.744SS**  trans-91.9115.6171.6-160.3-93.5000109.7T321T321-F323 PolarHBondContact O-N 3.4Å
324Y40.1Very low39.6Very low218 Ų218135.2 Ų135.286%0.85573%0.727SS**  trans-78.7136.2166.3-91.3-101.8000109.1
325D44.5Very low39.8Very low144 Ų144134 Ų13477%0.7772%0.721SS**  trans-129.1140.3164.8-141-17.8000108.9
326D42.7Very low40.5Very low100 Ų100126.2 Ų126.254%0.53570%0.702SS.*  trans-123.8149.8-172.3-179.827.6000110
327G37Very low41.2Very low60 Ų60125.2 Ų125.262%0.61969%0.69SS**  trans132115.3163.200000118
328S40.3Very low41.8Very low97 Ų97124.3 Ų124.368%0.67868%0.677SS**  trans72.991.5137-166.70000120.1S330S328-S330 PolarHBondContact O-N 3.36Å
329P39.9Very low42.6Very low135 Ų135120.8 Ų120.888%0.87766%0.661SS**  trans-79.9100161.232.5-31.6000111.3
330S42.8Very low43.2Very low96 Ų96119.3 Ų119.367%0.67165%0.651SS**  trans-133.690.7-17864.20000114.2S328S328-S330 PolarHBondContact O-N 3.36Å
331D39.7Very low44.1Very low128 Ų128114.6 Ų114.668%0.68462%0.624SS**  trans-150.855.3161.3-146.2-11.6000114.1S333D331-S333 PolarHBondContact O-N 2.92Å; D331-S333 WeakPolarHBondContact OD1-CB 3.46Å; D331-S333 PolarHBondContact OD1-OG 3.46Å
332Y40.6Very low44.8Very low194 Ų194116.4 Ų116.476%0.76162%0.616SS**  trans-72.346.9170.2-92.4-83.1000112.7
333S43.5Very low45.4Very low56 Ų56118.1 Ų118.139%0.39261%0.612SS.*  trans-100.97.4-172.4-55.10000114.7D331 S335 T336D331-S333 PolarHBondContact O-N 2.92Å; D331-S333 WeakPolarHBondContact OD1-CB 3.46Å; D331-S333 PolarHBondContact OD1-OG 3.46Å; S333-S335 VanDerWaalsContact C-N 3.32Å; S333-S335 PolarHBondContact O-N 2.93Å; S333-T336 PolarHBondContact O-OG1 3.27Å
334Q48.5Very low46.4Very low121 Ų121116.3 Ų116.357%0.56560%0.604SS**Hα-helixtrans-68.4-28.1-176.8-64.8-172.26.400113.6T336 K337 I338Q334-T336 VanDerWaalsContact C-N 3.32Å; Q334-T336 PolarHBondContact O-N 3.03Å; Q334-K337 PolarHBondContact O-N 3.23Å; Q334-I338 WeakPolarHBondContact O-CG1 3.44Å; Q334-I338 PolarHBondContact O-N 2.86Å; Q334-I338 VanDerWaalsContact O-N 3.09Å
335S41.5Very low47.3Very low85 Ų85109.2 Ų109.259%0.59458%0.579SS**Hα-helixtrans-63.4-34.7-177.4-165.20000113.1S333 T339S333-S335 VanDerWaalsContact C-N 3.32Å; S333-S335 PolarHBondContact O-N 2.93Å; S335-T339 WeakPolarHBondContact O-CB 3.3Å; S335-T339 PolarHBondContact O-N 2.98Å; S335-T339 PolarHBondContact O-OG1 3.39Å
336T49Very low48.1Very low86 Ų86106.7 Ų106.753%0.52857%0.565SS.*Hα-helixtrans-72.6-38.7177.957.10000111.9S333 Q334 T339 Q340S333-T336 PolarHBondContact O-OG1 3.27Å; Q334-T336 VanDerWaalsContact C-N 3.32Å; Q334-T336 PolarHBondContact O-N 3.03Å; T336-T339 PolarHBondContact O-N 3.48Å; T336-Q340 WeakPolarHBondContact O-CG 3.47Å; T336-Q340 PolarHBondContact O-N 2.99Å
337K50.5Low49.1Very low145 Ų145107 Ų10763%0.6356%0.564SS**Hα-helixtrans-61.8-48.9174.4-67.6-176.1179.1177.80111.3Q334 T339 Q340 Q341Q334-K337 PolarHBondContact O-N 3.23Å; K337-T339 VanDerWaalsContact C-N 3.28Å; K337-T339 PolarHBondContact O-N 3.31Å; K337-Q340 PolarHBondContact O-N 3.24Å; K337-Q341 WeakPolarHBondContact O-CG 3.41Å; K337-Q341 PolarHBondContact O-N 2.89Å; K337-Q341 PolarHBondContact O-OE1 3.49Å
338I49.9Very low50.3Low75 Ų75108.7 Ų108.739%0.38556%0.557SS.*Hα-helixtrans-58.9-40.1175.6-68.2168.5000111.3Q334 Q341 R342Q334-I338 WeakPolarHBondContact O-CG1 3.44Å; Q334-I338 PolarHBondContact O-N 2.86Å; Q334-I338 VanDerWaalsContact O-N 3.09Å; I338-Q341 PolarHBondContact O-N 3.49Å; I338-R342 WeakPolarHBondContact O-CG 3.43Å; I338-R342 PolarHBondContact O-N 3.13Å
339T50.8Low51.2Low68 Ų68107.6 Ų107.642%0.41754%0.538SS..Hα-helixtrans-67.7-41.9178.5-590000112.1S335 T336 K337 R342 F343S335-T339 WeakPolarHBondContact O-CB 3.3Å; S335-T339 PolarHBondContact O-N 2.98Å; S335-T339 PolarHBondContact O-OG1 3.39Å; T336-T339 PolarHBondContact O-N 3.48Å; K337-T339 VanDerWaalsContact C-N 3.28Å; K337-T339 PolarHBondContact O-N 3.31Å; T339-R342 PolarHBondContact O-N 3.05Å; T339-F343 HydrophobicContact CG2-CD2 4.34Å; T339-F343 PolarHBondContact O-N 3.2Å; T339-F343 VanDerWaalsContact O-N 3.09Å
340Q52.4Low52.2Low124 Ų124104.9 Ų104.958%0.57952%0.523SS*.Hα-helixtrans-64.2-41.9173.8-72.2-177.5700111.8T336 K337 R342 F343 F344T336-Q340 WeakPolarHBondContact O-CG 3.47Å; T336-Q340 PolarHBondContact O-N 2.99Å; K337-Q340 PolarHBondContact O-N 3.24Å; Q340-R342 VanDerWaalsContact C-N 3.34Å; Q340-R342 PolarHBondContact O-N 3.13Å; Q340-F343 PolarHBondContact O-N 2.86Å; Q340-F343 VanDerWaalsContact O-N 3.15Å; Q340-F344 VanDerWaalsContact O-CD2 3.23Å; Q340-F344 WeakPolarHBondContact O-CD2 3.39Å; Q340-F344 PolarHBondContact O-N 3.26Å
341Q54.8Low52.9Low56 Ų56108 Ų10826%0.26252%0.52SS..Hα-helixtrans-57.9-43.9175-72.1170-69.100111.8K337 I338 F343 F344 H345 E422K337-Q341 WeakPolarHBondContact O-CG 3.41Å; K337-Q341 PolarHBondContact O-N 2.89Å; K337-Q341 PolarHBondContact O-OE1 3.49Å; I338-Q341 PolarHBondContact O-N 3.49Å; Q341-F343 PolarHBondContact O-N 3.47Å; Q341-F344 PolarHBondContact O-N 2.9Å; Q341-H345 VanDerWaalsContact O-CB 3.31Å; Q341-H345 WeakPolarHBondContact O-CB 3.49Å; Q341-H345 PolarHBondContact O-N 2.96Å; Q341-E422 PolarHBondContact NE2-OE1 2.96Å
342R56.8Low53.8Low164 Ų164104.6 Ų104.662%0.61950%0.501SS*.Hα-helixtrans-61.2-42.4173.6-69.3-174.7-156.2-179.98.3112.5I338 T339 Q340 F344 H345 D346I338-R342 WeakPolarHBondContact O-CG 3.43Å; I338-R342 PolarHBondContact O-N 3.13Å; T339-R342 PolarHBondContact O-N 3.05Å; Q340-R342 VanDerWaalsContact C-N 3.34Å; Q340-R342 PolarHBondContact O-N 3.13Å; R342-F344 VanDerWaalsContact C-N 3.35Å; R342-F344 PolarHBondContact O-N 3.41Å; R342-H345 WeakPolarHBondContact O-CB 3.48Å; R342-H345 PolarHBondContact O-N 3.32Å; R342-D346 WeakPolarHBondContact O-CB 3.49Å; R342-D346 PolarHBondContact O-N 3Å
343F52.7Low54.6Low149 Ų149103.9 Ų103.965%0.65450%0.497SS*.Hα-helixtrans-62-39.1176.8-100.3-82.5000113.1T339 Q340 Q341 Q347T339-F343 HydrophobicContact CG2-CD2 4.34Å; T339-F343 PolarHBondContact O-N 3.2Å; T339-F343 VanDerWaalsContact O-N 3.09Å; Q340-F343 PolarHBondContact O-N 2.86Å; Q340-F343 VanDerWaalsContact O-N 3.15Å; Q341-F343 PolarHBondContact O-N 3.47Å; F343-Q347 PolarHBondContact O-N 3.49Å; F343-Q347 VanDerWaalsContact O-N 3.12Å
344F55.9Low54.7Low141 Ų141103.6 Ų103.662%0.61850%0.503SS*.Hα-helixtrans-71.5-40.4173.9-76.3-67.6000112.6Q340 Q341 R342 Q347 M348Q340-F344 VanDerWaalsContact O-CD2 3.23Å; Q340-F344 WeakPolarHBondContact O-CD2 3.39Å; Q340-F344 PolarHBondContact O-N 3.26Å; Q341-F344 PolarHBondContact O-N 2.9Å; R342-F344 VanDerWaalsContact C-N 3.35Å; R342-F344 PolarHBondContact O-N 3.41Å; F344-Q347 PolarHBondContact O-N 3.36Å; F344-M348 PolarHBondContact O-N 3.34Å
345H60.1Low54.9Low70 Ų70100.2 Ų100.232%0.32449%0.491SS..Hα-helixtrans-55.6-53.4172.8174.9-79.1000110.6Q341 R342 Q347 M348 Y349Q341-H345 VanDerWaalsContact O-CB 3.31Å; Q341-H345 WeakPolarHBondContact O-CB 3.49Å; Q341-H345 PolarHBondContact O-N 2.96Å; R342-H345 WeakPolarHBondContact O-CB 3.48Å; R342-H345 PolarHBondContact O-N 3.32Å; H345-Q347 VanDerWaalsContact C-N 3.34Å; H345-Q347 PolarHBondContact O-N 2.89Å; H345-M348 WeakPolarHBondContact O-CB 3.47Å; H345-M348 PolarHBondContact O-N 3.31Å; H345-M348 VanDerWaalsContact O-N 3.09Å; H345-Y349 AromaticContact CD2-CD2 3.73Å; H345-Y349 AromaticContact CD2-CE2 3.48Å; H345-Y349 VanDerWaalsContact CD2-CE2 3.48Å; H345-Y349 WeakPolarHBondContact CD2-CE2 3.5Å; H345-Y349 AromaticContact CE1-CD2 3.54Å; H345-Y349 AromaticContact CE1-CE2 3.75Å; H345-Y349 AromaticContact CG-CD2 3.86Å; H345-Y349 AromaticContact ND1-CD2 3.76Å; H345-Y349 AromaticContact NE2-CD2 3.52Å; H345-Y349 AromaticContact NE2-CE2 3.22Å; H345-Y349 WeakPolarHBondContact NE2-CE2 3.31Å; H345-Y349 AromaticContact NE2-CZ 3.79Å; H345-Y349 WeakPolarHBondContact O-CB 3.29Å; H345-Y349 WeakPolarHBondContact O-CD2 3.33Å; H345-Y349 PolarHBondContact O-N 3.07Å
346D60.7Low55.3Low90 Ų90100.9 Ų100.948%0.48149%0.491SS..Hα-helixtrans-70.8-29.2-175.4-68.4-12.7000112.3R342 S350R342-D346 WeakPolarHBondContact O-CB 3.49Å; R342-D346 PolarHBondContact O-N 3Å; D346-S350 WeakPolarHBondContact O-CB 3.39Å; D346-S350 PolarHBondContact O-N 3.4Å; D346-S350 PolarHBondContact O-OG 2.8Å
347Q63.2Low54.9Low107 Ų107103.9 Ų103.950%0.550%0.499SS..Hα-helixtrans-64.6-45.8166.2-84.9-155.743.400112.9F343 F344 H345 R351F343-Q347 PolarHBondContact O-N 3.49Å; F343-Q347 VanDerWaalsContact O-N 3.12Å; F344-Q347 PolarHBondContact O-N 3.36Å; H345-Q347 VanDerWaalsContact C-N 3.34Å; H345-Q347 PolarHBondContact O-N 2.89Å; Q347-R351 VanDerWaalsContact O-CB 3.24Å; Q347-R351 WeakPolarHBondContact O-CB 3.25Å; Q347-R351 PolarHBondContact O-N 3.4Å; Q347-R351 VanDerWaalsContact OE1-NH2 3.1Å
348M62Low54.6Low95 Ų95105.3 Ų105.347%0.46851%0.512SS..Hα-helixtrans-62.5-51.3177.3-85.7-107.263.400111.4F344 H345 S350 R351 I352F344-M348 PolarHBondContact O-N 3.34Å; H345-M348 WeakPolarHBondContact O-CB 3.47Å; H345-M348 PolarHBondContact O-N 3.31Å; H345-M348 VanDerWaalsContact O-N 3.09Å; M348-S350 PolarHBondContact O-N 3Å; M348-R351 PolarHBondContact O-N 2.93Å; M348-I352 HydrophobicContact CE-CD1 3.95Å; M348-I352 HydrophobicContact CE-CG1 4.45Å; M348-I352 VanDerWaalsContact O-CG1 3.32Å; M348-I352 WeakPolarHBondContact O-CG1 3.3Å; M348-I352 PolarHBondContact O-N 3.39Å
349Y60.7Low53.9Low74 Ų74103.9 Ų103.929%0.2952%0.516SS..Hα-helixtrans-67.7-33.6-178.6-84.4-96.5000112.4H345 R353 I411H345-Y349 AromaticContact CD2-CD2 3.73Å; H345-Y349 AromaticContact CD2-CE2 3.48Å; H345-Y349 VanDerWaalsContact CD2-CE2 3.48Å; H345-Y349 WeakPolarHBondContact CD2-CE2 3.5Å; H345-Y349 AromaticContact CE1-CD2 3.54Å; H345-Y349 AromaticContact CE1-CE2 3.75Å; H345-Y349 AromaticContact CG-CD2 3.86Å; H345-Y349 AromaticContact ND1-CD2 3.76Å; H345-Y349 AromaticContact NE2-CD2 3.52Å; H345-Y349 AromaticContact NE2-CE2 3.22Å; H345-Y349 WeakPolarHBondContact NE2-CE2 3.31Å; H345-Y349 AromaticContact NE2-CZ 3.79Å; H345-Y349 WeakPolarHBondContact O-CB 3.29Å; H345-Y349 WeakPolarHBondContact O-CD2 3.33Å; H345-Y349 PolarHBondContact O-N 3.07Å; Y349-R353 WeakPolarHBondContact O-CB 3.49Å; Y349-R353 PolarHBondContact O-N 3.49Å; Y349-I411 HydrophobicContact CE2-CG2 4.48Å
350S59.8Low53.3Low79 Ų79109.6 Ų109.655%0.55254%0.538SS*.Hα-helixtrans-67.2-43.5171.6-620000111.6D346 M348 I352 R353 G354D346-S350 WeakPolarHBondContact O-CB 3.39Å; D346-S350 PolarHBondContact O-N 3.4Å; D346-S350 PolarHBondContact O-OG 2.8Å; M348-S350 PolarHBondContact O-N 3Å; S350-I352 VanDerWaalsContact C-N 3.27Å; S350-I352 PolarHBondContact O-N 3.02Å; S350-R353 PolarHBondContact O-N 3.16Å; S350-G354 PolarHBondContact O-N 3.29Å
351R58.8Low52.7Low162 Ų162108.2 Ų108.261%0.61154%0.542SS*.Hα-helixtrans-65.2-29.7178.7-155.7178.4-57.7-1653.5112.5Q347 M348Q347-R351 VanDerWaalsContact O-CB 3.24Å; Q347-R351 WeakPolarHBondContact O-CB 3.25Å; Q347-R351 PolarHBondContact O-N 3.4Å; Q347-R351 VanDerWaalsContact OE1-NH2 3.1Å; M348-R351 PolarHBondContact O-N 2.93Å
352I57.8Low52Low55 Ų55111.9 Ų111.928%0.28256%0.563SS.*Hα-helixtrans-83.9-37.2174.6-65.9164.6000112.3M348 S350 T355 I411M348-I352 HydrophobicContact CE-CD1 3.95Å; M348-I352 HydrophobicContact CE-CG1 4.45Å; M348-I352 VanDerWaalsContact O-CG1 3.32Å; M348-I352 WeakPolarHBondContact O-CG1 3.3Å; M348-I352 PolarHBondContact O-N 3.39Å; S350-I352 VanDerWaalsContact C-N 3.27Å; S350-I352 PolarHBondContact O-N 3.02Å; I352-T355 PolarHBondContact O-OG1 3.48Å; I352-T355 VanDerWaalsContact O-OG1 3.12Å; I352-I411 HydrophobicContact CD1-CD1 3.46Å; I352-I411 VanDerWaalsContact CD1-CD1 3.46Å
353R57.1Low51.6Low179 Ų179110.3 Ų110.368%0.67557%0.566SS**Hα-helixtrans-70.9-33.7177.8-167.7-179.2-70.2-160.71.1111.4Y349 S350 T355 T356Y349-R353 WeakPolarHBondContact O-CB 3.49Å; Y349-R353 PolarHBondContact O-N 3.49Å; S350-R353 PolarHBondContact O-N 3.16Å; R353-T355 VanDerWaalsContact C-N 3.33Å; R353-T355 PolarHBondContact O-N 3.11Å; R353-T356 PolarHBondContact O-N 2.8Å
354G46.9Very low51.3Low51 Ų51110.3 Ų110.353%0.52657%0.573SS.*Hα-helixtrans-59.5-35.417700000114.3S350 T356S350-G354 PolarHBondContact O-N 3.29Å; G354-T356 PolarHBondContact O-N 3.47Å; G354-T356 VanDerWaalsContact O-N 3.15Å
355T51.2Low51.1Low50 Ų50109.1 Ų109.131%0.30757%0.569SS.*THydrogen-bonded Turntrans-76.22178.964.70000114.3I352 R353 T372 R404I352-T355 PolarHBondContact O-OG1 3.48Å; I352-T355 VanDerWaalsContact O-OG1 3.12Å; R353-T355 VanDerWaalsContact C-N 3.33Å; R353-T355 PolarHBondContact O-N 3.11Å; T355-T372 HydrophobicContact CG2-CG2 4.1Å; T355-R404 PolarHBondContact O-NH1 3.44Å; T355-R404 PolarHBondContact O-NH2 3.28Å
356T50.2Low50.8Low98 Ų98109.6 Ų109.660%0.60158%0.58SS**THydrogen-bonded Turntrans-120.81.7-177.4-43.20000113.3R353 G354R353-T356 PolarHBondContact O-N 2.8Å; G354-T356 PolarHBondContact O-N 3.47Å; G354-T356 VanDerWaalsContact O-N 3.15Å
357Q41.4Very low50.7Low149 Ų149112.2 Ų112.270%0.69659%0.589SS**  trans-105.9119.7162.2-68.4-162.834.700109.8G359Q357-G359 PolarHBondContact O-N 3.12Å
358I42.9Very low50.5Low175 Ų175113.5 Ų113.590%0.89760%0.597SS**  trans-7970.8164.5-57.8176.7000106.7
359G35.1Very low50.7Low46 Ų46110.8 Ų110.847%0.47458%0.584SS.*  trans-71.8137.5170.500000109.7Q357 S361Q357-G359 PolarHBondContact O-N 3.12Å; G359-S361 PolarHBondContact O-N 2.93Å
360Q39.6Very low51.3Low188 Ų188112.6 Ų112.688%0.87960%0.602SS**SBendtrans-82.158.3-170.6-63.9174.9-500112
361S38.6Very low52.1Low94 Ų94109.2 Ų109.266%0.65758%0.578SS**  trans-151.247.9-172.366.30000114.4G359G359-S361 PolarHBondContact O-N 2.93Å
362D40Very low53.2Low133 Ų133104.1 Ų104.171%0.71157%0.565SS**  trans-162.167.5160-99-31.6000110.1N364D362-N364 PolarHBondContact O-N 2.75Å; D362-N364 VanDerWaalsContact O-N 3.13Å
363I47.9Very low54.4Low132 Ų132106.3 Ų106.368%0.67757%0.574SS**G310 helixtrans-74.1-5.2-165.2-66174000113.5S366I363-S366 PolarHBondContact O-OG 3.19Å
364N46.4Very low55.5Low149 Ų149100.8 Ų100.880%0.79756%0.556SS**G310 helixtrans-93.610.8-171.8-65.4-31000115D362D362-N364 PolarHBondContact O-N 2.75Å; D362-N364 VanDerWaalsContact O-N 3.13Å
365H51.7Low57.3Low115 Ų11598.6 Ų98.653%0.53253%0.532SS..G310 helixtrans-128.415.7-171.1-62.4-16.2000114.8H367 M368H365-H367 PolarHBondContact O-N 2.7Å; H365-M368 PolarHBondContact O-N 2.86Å
366S54.5Low59Low81 Ų8199.9 Ų99.957%0.56653%0.533SS*.THydrogen-bonded Turntrans-59.88.3-161.3-50.70000119.4I363I363-S366 PolarHBondContact O-OG 3.19Å
367H58.7Low60.7Low144 Ų144101.9 Ų101.967%0.66753%0.53SS*.THydrogen-bonded Turntrans-124.7-11.6174.9-64.6-64.2000114.9H365 L390H365-H367 PolarHBondContact O-N 2.7Å; H367-L390 PolarHBondContact O-N 2.73Å
368M59.5Low62.8Low135 Ų13595.9 Ų95.967%0.66550%0.503SS*.  trans-107.7128.9-178-85.3-178.159.500112.2H365 V370H365-M368 PolarHBondContact O-N 2.86Å; M368-V370 PolarHBondContact O-N 3.35Å
369L66.6Low64.9Low38 Ų3887.6 Ų87.620%0.19946%0.461CS..  trans-80.3110.9173.3-174.470.7000110.3L371 P387 L390 L392 L400L369-L371 HydrophobicContact CD2-CD1 3.92Å; L369-L371 HydrophobicContact CD2-CD2 3.83Å; L369-L371 HydrophobicContact CD2-CG 3.76Å; L369-L371 HydrophobicContact CG-CD2 4.1Å; L369-L371 HydrophobicContact CG-CG 3.92Å; L369-L371 PolarHBondContact O-N 2.73Å; L369-P387 WeakPolarHBondContact CB-O 3.47Å; L369-P387 HydrophobicContact CD2-CB 4.07Å; L369-P387 WeakPolarHBondContact CD2-O 3.39Å; L369-L390 HydrophobicContact CB-CD2 4.36Å; L369-L390 HydrophobicContact CD1-CD2 4.19Å; L369-L392 HydrophobicContact CD1-CD1 4.04Å; L369-L392 HydrophobicContact CD2-CD1 4.29Å; L369-L392 HydrophobicContact CD2-CD2 4.01Å; L369-L392 HydrophobicContact CD2-CG 4.42Å; L369-L400 HydrophobicContact CD2-CD2 4.21Å
370V71.6Confident67.3Low112 Ų11290.7 Ų90.768%0.67947%0.465SS*.  trans-76.591.1174.5-176.10000109.7M368M368-V370 PolarHBondContact O-N 3.35Å
371L77.7Confident69.5Low8 Ų885.9 Ų85.94%0.04246%0.458CS..  trans-90.1136.5168.9-66.8173.6000111L369 E375 K376 L379 I386 L400L369-L371 HydrophobicContact CD2-CD1 3.92Å; L369-L371 HydrophobicContact CD2-CD2 3.83Å; L369-L371 HydrophobicContact CD2-CG 3.76Å; L369-L371 HydrophobicContact CG-CD2 4.1Å; L369-L371 HydrophobicContact CG-CG 3.92Å; L369-L371 PolarHBondContact O-N 2.73Å; L371-E375 HydrophobicContact CB-CB 4.31Å; L371-E375 HydrophobicContact CD2-CB 4.17Å; L371-K376 HydrophobicContact CB-CG 3.82Å; L371-K376 HydrophobicContact CD1-CG 4.36Å; L371-K376 VanDerWaalsContact O-CE 3.22Å; L371-K376 WeakPolarHBondContact O-CE 3.32Å; L371-K376 PolarHBondContact O-NZ 3.21Å; L371-L379 HydrophobicContact CD1-CD1 3.55Å; L371-I386 HydrophobicContact CD1-CG2 4.01Å; L371-L400 HydrophobicContact CD2-CD1 3.49Å; L371-L400 VanDerWaalsContact CD2-CD1 3.49Å; L371-L400 HydrophobicContact CD2-CD2 3.95Å; L371-L400 HydrophobicContact CD2-CG 4.39Å
372T81.4Confident71.8Confident55 Ų5584.8 Ų84.834%0.33744%0.442SS..  trans-64.7160167.662.40000111.2T355 E374 E375 K376T355-T372 HydrophobicContact CG2-CG2 4.1Å; T372-E374 VanDerWaalsContact C-N 3.33Å; T372-E374 PolarHBondContact O-N 3.4Å; T372-E375 VanDerWaalsContact CB-OE2 3.32Å; T372-E375 WeakPolarHBondContact CB-OE2 3.35Å; T372-E375 WeakPolarHBondContact CG2-OE2 3.42Å; T372-E375 PolarHBondContact N-OE2 3.23Å; T372-E375 PolarHBondContact O-N 3.34Å; T372-E375 VanDerWaalsContact OG1-CG 3.26Å; T372-E375 WeakPolarHBondContact OG1-CG 3.37Å; T372-E375 PolarHBondContact OG1-N 2.94Å; T372-E375 PolarHBondContact OG1-OE2 2.99Å; T372-K376 WeakPolarHBondContact O-CG 3.42Å; T372-K376 PolarHBondContact O-N 2.85Å
373E82.7Confident73.8Confident100 Ų10081.7 Ų81.747%0.46744%0.442SS..Hα-helixtrans-61.9-38.7-179.5-176.258.4-165.900112.5K376 R377E373-K376 PolarHBondContact O-N 2.83Å; E373-R377 WeakPolarHBondContact O-CB 3.27Å; E373-R377 VanDerWaalsContact O-CG 3.26Å; E373-R377 WeakPolarHBondContact O-CG 3.47Å; E373-R377 PolarHBondContact O-N 2.96Å; E373-R377 IonicContact OE1-CZ 2.68Å; E373-R377 VanDerWaalsContact OE1-CZ 3.22Å; E373-R377 IonicContact OE1-NE 3.18Å; E373-R377 PolarHBondContact OE1-NE 3.4Å; E373-R377 IonicContact OE1-NH2 3.13Å; E373-R377 PolarHBondContact OE1-NH2 3.35Å
374E80.6Confident75.5Confident64 Ų6478.1 Ų78.130%0.29942%0.42SS..Hα-helixtrans-68-36.9174.8-173.172.4170.800112.1T372 T378 I407 K410T372-E374 VanDerWaalsContact C-N 3.33Å; T372-E374 PolarHBondContact O-N 3.4Å; E374-T378 VanDerWaalsContact O-CB 3.27Å; E374-T378 WeakPolarHBondContact O-CB 3.48Å; E374-T378 PolarHBondContact O-N 3.32Å; E374-T378 PolarHBondContact O-OG1 2.85Å; E374-I407 HydrophobicContact CB-CD1 4.48Å; E374-I407 HydrophobicContact CG-CD1 3.93Å; E374-I407 HydrophobicContact CG-CG1 4.08Å; E374-I407 HydrophobicContact CG-CG2 4.22Å; E374-K410 IonicContact OE1-NZ 2.69Å; E374-K410 PolarHBondContact OE1-NZ 3.04Å
375E84.9Confident77Confident5 Ų575.4 Ų75.42%0.02341%0.413CS..Hα-helixtrans-63.6-44.3173.1-75.7167.2114.900111.8L371 T372 T378 L379 R404 I407L371-E375 HydrophobicContact CB-CB 4.31Å; L371-E375 HydrophobicContact CD2-CB 4.17Å; T372-E375 VanDerWaalsContact CB-OE2 3.32Å; T372-E375 WeakPolarHBondContact CB-OE2 3.35Å; T372-E375 WeakPolarHBondContact CG2-OE2 3.42Å; T372-E375 PolarHBondContact N-OE2 3.23Å; T372-E375 PolarHBondContact O-N 3.34Å; T372-E375 VanDerWaalsContact OG1-CG 3.26Å; T372-E375 WeakPolarHBondContact OG1-CG 3.37Å; T372-E375 PolarHBondContact OG1-N 2.94Å; T372-E375 PolarHBondContact OG1-OE2 2.99Å; E375-T378 PolarHBondContact O-N 2.94Å; E375-L379 WeakPolarHBondContact O-CB 3.41Å; E375-L379 WeakPolarHBondContact O-CD1 3.47Å; E375-L379 VanDerWaalsContact O-CG 3.26Å; E375-L379 WeakPolarHBondContact O-CG 3.25Å; E375-L379 PolarHBondContact O-N 3.15Å; E375-R404 IonicContact OE1-CZ 3.16Å; E375-R404 IonicContact OE1-NE 2.66Å; E375-R404 PolarHBondContact OE1-NE 3.38Å; E375-R404 IonicContact OE1-NH2 2.78Å; E375-R404 PolarHBondContact OE1-NH2 2.93Å; E375-I407 HydrophobicContact CB-CD1 4.43Å; E375-I407 HydrophobicContact CG-CD1 3.84Å
376K86.6Confident78.3Confident76 Ų7672.6 Ų72.633%0.3340%0.402SS..Hα-helixtrans-61.1-47.8176.8-70.2171.9-174.3163.40111.6L371 T372 E373 L379 I380 I386L371-K376 HydrophobicContact CB-CG 3.82Å; L371-K376 HydrophobicContact CD1-CG 4.36Å; L371-K376 VanDerWaalsContact O-CE 3.22Å; L371-K376 WeakPolarHBondContact O-CE 3.32Å; L371-K376 PolarHBondContact O-NZ 3.21Å; T372-K376 WeakPolarHBondContact O-CG 3.42Å; T372-K376 PolarHBondContact O-N 2.85Å; E373-K376 PolarHBondContact O-N 2.83Å; K376-L379 PolarHBondContact O-N 2.68Å; K376-I380 WeakPolarHBondContact O-CG1 3.27Å; K376-I380 PolarHBondContact O-N 3.4Å; K376-I386 HydrophobicContact CB-CD1 3.87Å; K376-I386 HydrophobicContact CG-CD1 4.05Å; K376-I386 HydrophobicContact CG-CG2 4.46Å
377R86Confident79.1Confident140 Ų14069.4 Ų69.453%0.52838%0.379SS..Hα-helixtrans-60.9-45.6177.4-71.3170.4-171.7-162.72.7111.7E373 I380 A381E373-R377 WeakPolarHBondContact O-CB 3.27Å; E373-R377 VanDerWaalsContact O-CG 3.26Å; E373-R377 WeakPolarHBondContact O-CG 3.47Å; E373-R377 PolarHBondContact O-N 2.96Å; E373-R377 IonicContact OE1-CZ 2.68Å; E373-R377 VanDerWaalsContact OE1-CZ 3.22Å; E373-R377 IonicContact OE1-NE 3.18Å; E373-R377 PolarHBondContact OE1-NE 3.4Å; E373-R377 IonicContact OE1-NH2 3.13Å; E373-R377 PolarHBondContact OE1-NH2 3.35Å; R377-I380 PolarHBondContact O-N 2.94Å; R377-A381 WeakPolarHBondContact O-CB 3.44Å; R377-A381 PolarHBondContact O-N 3.37Å
378T85.3Confident79.4Confident23 Ų2367 Ų6714%0.14137%0.374CS..Hα-helixtrans-69-36.4179.9-50.60000111.8E374 E375 A381 E382 V403 I407E374-T378 VanDerWaalsContact O-CB 3.27Å; E374-T378 WeakPolarHBondContact O-CB 3.48Å; E374-T378 PolarHBondContact O-N 3.32Å; E374-T378 PolarHBondContact O-OG1 2.85Å; E375-T378 PolarHBondContact O-N 2.94Å; T378-A381 PolarHBondContact O-N 2.93Å; T378-E382 HydrophobicContact CG2-CG 4.28Å; T378-E382 WeakPolarHBondContact O-CB 3.26Å; T378-E382 WeakPolarHBondContact O-CG 3.46Å; T378-E382 PolarHBondContact O-N 3.28Å; T378-V403 HydrophobicContact CG2-CB 4.39Å; T378-V403 HydrophobicContact CG2-CG1 3.77Å; T378-V403 HydrophobicContact CG2-CG2 4.12Å; T378-I407 HydrophobicContact CG2-CG1 4.38Å
379L87.3Confident79.6Confident1 Ų170.7 Ų70.71%0.00538%0.381CS..Hα-helixtrans-59.7-50.5171.8-78161.5000111.2L371 E375 K376 A381 E382 G383 Y384 L400 V403L371-L379 HydrophobicContact CD1-CD1 3.55Å; E375-L379 WeakPolarHBondContact O-CB 3.41Å; E375-L379 WeakPolarHBondContact O-CD1 3.47Å; E375-L379 VanDerWaalsContact O-CG 3.26Å; E375-L379 WeakPolarHBondContact O-CG 3.25Å; E375-L379 PolarHBondContact O-N 3.15Å; K376-L379 PolarHBondContact O-N 2.68Å; L379-A381 PolarHBondContact O-N 2.84Å; L379-E382 PolarHBondContact O-N 2.78Å; L379-G383 PolarHBondContact O-N 3.31Å; L379-Y384 CarbonylContact C-O 3.34Å; L379-Y384 HydrophobicContact CD2-CD2 4.07Å; L379-Y384 HydrophobicContact CD2-CG 4.35Å; L379-Y384 WeakPolarHBondContact O-CA 3.3Å; L379-Y384 WeakPolarHBondContact O-CB 3.33Å; L379-Y384 PolarHBondContact O-N 3Å; L379-L400 HydrophobicContact CD1-CD1 4.41Å; L379-V403 HydrophobicContact CD2-CB 4.5Å; L379-V403 HydrophobicContact CD2-CG2 3.85Å; L379-V403 HydrophobicContact CG-CG1 4.41Å; L379-V403 HydrophobicContact CG-CG2 4.08Å
380I86.2Confident79.7Confident111 Ų11171.9 Ų71.957%0.56939%0.387SS*.Hα-helixtrans-58.5-46.6177.3-67.3165.3000110.9K376 R377 E382 G383 I386K376-I380 WeakPolarHBondContact O-CG1 3.27Å; K376-I380 PolarHBondContact O-N 3.4Å; R377-I380 PolarHBondContact O-N 2.94Å; I380-E382 VanDerWaalsContact C-N 3.28Å; I380-E382 PolarHBondContact O-N 3.29Å; I380-G383 PolarHBondContact O-N 3.22Å; I380-I386 HydrophobicContact CD1-CD1 3.76Å; I380-I386 HydrophobicContact CD1-CG1 4.37Å; I380-I386 HydrophobicContact CG1-CD1 4.07Å; I380-I386 HydrophobicContact CG1-CG1 4.12Å
381A86.1Confident79.6Confident88 Ų8872.5 Ų72.573%0.72739%0.394SS*.Hα-helixtrans-64.1-30-178.900000113.4R377 T378 L379 G383R377-A381 WeakPolarHBondContact O-CB 3.44Å; R377-A381 PolarHBondContact O-N 3.37Å; T378-A381 PolarHBondContact O-N 2.93Å; L379-A381 PolarHBondContact O-N 2.84Å; A381-G383 VanDerWaalsContact C-N 3.26Å; A381-G383 PolarHBondContact O-N 3.36Å
382E85.6Confident79.3Confident70 Ų7074.4 Ų74.433%0.32740%0.404SS..THydrogen-bonded Turntrans-83.42.8173.8-62.4-85.8135.700113T378 L379 I380 Y384 V403 K406T378-E382 HydrophobicContact CG2-CG 4.28Å; T378-E382 WeakPolarHBondContact O-CB 3.26Å; T378-E382 WeakPolarHBondContact O-CG 3.46Å; T378-E382 PolarHBondContact O-N 3.28Å; L379-E382 PolarHBondContact O-N 2.78Å; I380-E382 VanDerWaalsContact C-N 3.28Å; I380-E382 PolarHBondContact O-N 3.29Å; E382-Y384 VanDerWaalsContact C-N 3.33Å; E382-Y384 HydrophobicContact CB-CD2 3.57Å; E382-Y384 HydrophobicContact CB-CE2 3.65Å; E382-Y384 HydrophobicContact CB-CG 4.4Å; E382-Y384 HydrophobicContact CG-CE2 4.44Å; E382-V403 HydrophobicContact CG-CG2 4.32Å; E382-K406 WeakPolarHBondContact OE1-CD 3.43Å; E382-K406 IonicContact OE1-NZ 2.6Å; E382-K406 PolarHBondContact OE1-NZ 3.2Å; E382-K406 IonicContact OE2-NZ 2.67Å; E382-K406 PolarHBondContact OE2-NZ 3.39Å
383G82.8Confident79.3Confident68 Ų6874.8 Ų74.870%0.70141%0.408SS*.THydrogen-bonded Turntrans77.313.3-177.700000114.7L379 I380 A381L379-G383 PolarHBondContact O-N 3.31Å; I380-G383 PolarHBondContact O-N 3.22Å; A381-G383 VanDerWaalsContact C-N 3.26Å; A381-G383 PolarHBondContact O-N 3.36Å
384Y82.5Confident79.3Confident57 Ų5777.3 Ų77.322%0.22442%0.418CS..PPolyproline II helixtrans-91.2130.6177.5-57.4-45.7000111.1L379 E382 N399 V403L379-Y384 CarbonylContact C-O 3.34Å; L379-Y384 HydrophobicContact CD2-CD2 4.07Å; L379-Y384 HydrophobicContact CD2-CG 4.35Å; L379-Y384 WeakPolarHBondContact O-CA 3.3Å; L379-Y384 WeakPolarHBondContact O-CB 3.33Å; L379-Y384 PolarHBondContact O-N 3Å; E382-Y384 VanDerWaalsContact C-N 3.33Å; E382-Y384 HydrophobicContact CB-CD2 3.57Å; E382-Y384 HydrophobicContact CB-CE2 3.65Å; E382-Y384 HydrophobicContact CB-CG 4.4Å; E382-Y384 HydrophobicContact CG-CE2 4.44Å; Y384-N399 HydrophobicContact CD1-CB 4.16Å; Y384-N399 VanDerWaalsContact CD1-ND2 3.3Å; Y384-N399 WeakPolarHBondContact CD1-ND2 3.16Å; Y384-N399 HydrophobicContact CD2-CB 3.8Å; Y384-N399 HydrophobicContact CE1-CB 4.25Å; Y384-N399 VanDerWaalsContact CE1-CG 3.48Å; Y384-N399 WeakPolarHBondContact CE1-ND2 3.47Å; Y384-N399 WeakPolarHBondContact CE1-OD1 3.12Å; Y384-N399 HydrophobicContact CE2-CB 3.87Å; Y384-N399 HydrophobicContact CG-CB 3.94Å; Y384-V403 HydrophobicContact CD2-CG2 4.38Å
385S79.2Confident79.6Confident92 Ų9278.1 Ų78.164%0.64342%0.422SS*.PPolyproline II helixtrans-60.714216946.60000110.4P387S385-P387 WeakPolarHBondContact O-CD 3.22Å
386I77.7Confident79.6Confident57 Ų5780 Ų8029%0.29243%0.432SS..PPolyproline II helixtrans-67.3116.9175.6-66176.8000108.4L371 K376 I380 T388L371-I386 HydrophobicContact CD1-CG2 4.01Å; K376-I386 HydrophobicContact CB-CD1 3.87Å; K376-I386 HydrophobicContact CG-CD1 4.05Å; K376-I386 HydrophobicContact CG-CG2 4.46Å; I380-I386 HydrophobicContact CD1-CD1 3.76Å; I380-I386 HydrophobicContact CD1-CG1 4.37Å; I380-I386 HydrophobicContact CG1-CD1 4.07Å; I380-I386 HydrophobicContact CG1-CG1 4.12Å; I386-T388 PolarHBondContact O-N 2.58Å; I386-T388 PolarHBondContact O-OG1 2.85Å
387P71.2Confident79.6Confident13 Ų1381.7 Ų81.78%0.08444%0.441CS..  trans-74.2101178.9-14.931.4000109.8L369 S385 L392 D396L369-P387 WeakPolarHBondContact CB-O 3.47Å; L369-P387 HydrophobicContact CD2-CB 4.07Å; L369-P387 WeakPolarHBondContact CD2-O 3.39Å; S385-P387 WeakPolarHBondContact O-CD 3.22Å; P387-L392 HydrophobicContact CB-CD2 3.5Å; P387-L392 HydrophobicContact CG-CD2 3.91Å; P387-D396 HydrophobicContact CB-CB 4.28Å; P387-D396 HydrophobicContact CG-CB 3.94Å
388T66.9Low79.7Confident93 Ų9381.6 Ų81.657%0.57144%0.44SS*.  trans-91.5-11.4-172.7-550000113.4I386I386-T388 PolarHBondContact O-N 2.58Å; I386-T388 PolarHBondContact O-OG1 2.85Å
389R62.2Low79.9Confident213 Ų21381 Ų8180%0.80444%0.437SS*.SBendtrans-126143.1-176.4-62.8-177-179-177.60.2111.3
390L70.2Confident79.9Confident63 Ų6381.5 Ų81.533%0.3344%0.439SS..SBendtrans-93.5146.3164.1-60.3174000109.9H367 L369 L392H367-L390 PolarHBondContact O-N 2.73Å; L369-L390 HydrophobicContact CB-CD2 4.36Å; L369-L390 HydrophobicContact CD1-CD2 4.19Å; L390-L392 HydrophobicContact CD2-CD1 4.37Å; L390-L392 HydrophobicContact CD2-CG 4.28Å
391P68Low80.1Confident126 Ų12683.5 Ų83.582%0.81844%0.444SS*.SBendcis-73.4144.9-1.431.4-35.6000112.9
392L71.4Confident80.4Confident48 Ų4884.4 Ų84.425%0.25143%0.431SS..PPolyproline II helixtrans-61142.5168.8-84.5155.5000110.5L369 P387 L390 D396L369-L392 HydrophobicContact CD1-CD1 4.04Å; L369-L392 HydrophobicContact CD2-CD1 4.29Å; L369-L392 HydrophobicContact CD2-CD2 4.01Å; L369-L392 HydrophobicContact CD2-CG 4.42Å; P387-L392 HydrophobicContact CB-CD2 3.5Å; P387-L392 HydrophobicContact CG-CD2 3.91Å; L390-L392 HydrophobicContact CD2-CD1 4.37Å; L390-L392 HydrophobicContact CD2-CG 4.28Å; L392-D396 HydrophobicContact CD2-CB 3.45Å; L392-D396 VanDerWaalsContact CD2-CB 3.45Å
393S81.2Confident80.6Confident62 Ų6281.1 Ų81.143%0.43442%0.416SS..PPolyproline II helixtrans-63.9149.3163.6-179.10000110Q395 D396 E397S393-Q395 PolarHBondContact O-N 3.26Å; S393-Q395 PolarHBondContact OG-N 3.41Å; S393-D396 WeakPolarHBondContact CB-OD2 3.44Å; S393-D396 PolarHBondContact N-OD2 2.89Å; S393-D396 VanDerWaalsContact N-OD2 3.11Å; S393-D396 PolarHBondContact O-N 3Å; S393-E397 PolarHBondContact O-N 3.28Å
394K83.9Confident81Confident153 Ų15381.1 Ų81.167%0.66540%0.395SS*.Hα-helixtrans-55-23.7169.7-171.1172.6-175.7173.80112R398K394-R398 WeakPolarHBondContact O-CD 3.46Å; K394-R398 WeakPolarHBondContact O-CG 3.29Å
395Q86Confident81.5Confident82 Ų8286.9 Ų86.938%0.38342%0.416SS..Hα-helixtrans-81-39.9172.1-170.555.734.400113S393 R398 N399S393-Q395 PolarHBondContact O-N 3.26Å; S393-Q395 PolarHBondContact OG-N 3.41Å; Q395-R398 WeakPolarHBondContact O-CB 3.44Å; Q395-R398 PolarHBondContact O-N 3.38Å; Q395-N399 PolarHBondContact NE2-OD1 2.76Å; Q395-N399 WeakPolarHBondContact O-CB 3.12Å; Q395-N399 PolarHBondContact O-N 3Å; Q395-N399 PolarHBondContact O-ND2 3.5Å; Q395-N399 PolarHBondContact O-OD1 3.05Å
396D85.7Confident82.2Confident44 Ų4487.6 Ų87.624%0.23541%0.407CS..Hα-helixtrans-66.1-39.8178.7-55.1-29.5000111.4P387 L392 S393 R398 N399 L400P387-D396 HydrophobicContact CB-CB 4.28Å; P387-D396 HydrophobicContact CG-CB 3.94Å; L392-D396 HydrophobicContact CD2-CB 3.45Å; L392-D396 VanDerWaalsContact CD2-CB 3.45Å; S393-D396 WeakPolarHBondContact CB-OD2 3.44Å; S393-D396 PolarHBondContact N-OD2 2.89Å; S393-D396 VanDerWaalsContact N-OD2 3.11Å; S393-D396 PolarHBondContact O-N 3Å; D396-R398 VanDerWaalsContact C-N 3.34Å; D396-R398 PolarHBondContact O-N 2.79Å; D396-N399 PolarHBondContact O-N 2.93Å; D396-L400 WeakPolarHBondContact O-CB 3.42Å; D396-L400 PolarHBondContact O-N 3.33Å
397E86.4Confident82.9Confident111 Ų11185.7 Ų85.752%0.51940%0.398SS..Hα-helixtrans-60.5-43.5173.6-165.6-152.4150.500111.2S393 K401S393-E397 PolarHBondContact O-N 3.28Å; E397-K401 VanDerWaalsContact O-CB 3.24Å; E397-K401 WeakPolarHBondContact O-CB 3.35Å; E397-K401 PolarHBondContact O-N 2.71Å
398R88.5Confident83.9Confident138 Ų13891 Ų9152%0.52142%0.419SS..Hα-helixtrans-62.6-42.6174.1-74.1167.3170.4-176.4-8.4111.8K394 Q395 D396 K401 K402K394-R398 WeakPolarHBondContact O-CD 3.46Å; K394-R398 WeakPolarHBondContact O-CG 3.29Å; Q395-R398 WeakPolarHBondContact O-CB 3.44Å; Q395-R398 PolarHBondContact O-N 3.38Å; D396-R398 VanDerWaalsContact C-N 3.34Å; D396-R398 PolarHBondContact O-N 2.79Å; R398-K401 PolarHBondContact O-N 3.36Å; R398-K402 WeakPolarHBondContact O-CG 3.5Å; R398-K402 PolarHBondContact O-N 3.33Å
399N88.6Confident85.3Confident12 Ų1290.5 Ų90.56%0.06441%0.413CS..Hα-helixtrans-65.4-47.8178.6-67.3-15.7000110.9Y384 Q395 D396 K401 K402 V403Y384-N399 HydrophobicContact CD1-CB 4.16Å; Y384-N399 VanDerWaalsContact CD1-ND2 3.3Å; Y384-N399 WeakPolarHBondContact CD1-ND2 3.16Å; Y384-N399 HydrophobicContact CD2-CB 3.8Å; Y384-N399 HydrophobicContact CE1-CB 4.25Å; Y384-N399 VanDerWaalsContact CE1-CG 3.48Å; Y384-N399 WeakPolarHBondContact CE1-ND2 3.47Å; Y384-N399 WeakPolarHBondContact CE1-OD1 3.12Å; Y384-N399 HydrophobicContact CE2-CB 3.87Å; Y384-N399 HydrophobicContact CG-CB 3.94Å; Q395-N399 PolarHBondContact NE2-OD1 2.76Å; Q395-N399 WeakPolarHBondContact O-CB 3.12Å; Q395-N399 PolarHBondContact O-N 3Å; Q395-N399 PolarHBondContact O-ND2 3.5Å; Q395-N399 PolarHBondContact O-OD1 3.05Å; D396-N399 PolarHBondContact O-N 2.93Å; N399-K401 VanDerWaalsContact C-N 3.33Å; N399-K401 PolarHBondContact O-N 3.06Å; N399-K402 WeakPolarHBondContact O-CB 3.41Å; N399-K402 PolarHBondContact O-N 3.3Å; N399-K402 VanDerWaalsContact O-N 3.14Å; N399-V403 PolarHBondContact O-N 3.03Å
400L88.8Confident86.9Confident11 Ų1185.7 Ų85.76%0.05840%0.398CS..Hα-helixtrans-61.1-40175.3-179.558.7000111.9L369 L371 L379 D396 K402 V403 R404L369-L400 HydrophobicContact CD2-CD2 4.21Å; L371-L400 HydrophobicContact CD2-CD1 3.49Å; L371-L400 VanDerWaalsContact CD2-CD1 3.49Å; L371-L400 HydrophobicContact CD2-CD2 3.95Å; L371-L400 HydrophobicContact CD2-CG 4.39Å; L379-L400 HydrophobicContact CD1-CD1 4.41Å; D396-L400 WeakPolarHBondContact O-CB 3.42Å; D396-L400 PolarHBondContact O-N 3.33Å; L400-K402 PolarHBondContact O-N 3.37Å; L400-V403 PolarHBondContact O-N 3.4Å; L400-R404 HydrophobicContact CD1-CG 4.22Å; L400-R404 HydrophobicContact CG-CG 4.48Å; L400-R404 WeakPolarHBondContact O-CB 3.48Å; L400-R404 WeakPolarHBondContact O-CG 3.38Å; L400-R404 PolarHBondContact O-N 3.35Å
401K89.7Confident88Confident153 Ų15384.4 Ų84.467%0.66539%0.391SS*.Hα-helixtrans-64-37174.7-171.8171.1-176170.80112.4E397 R398 N399 R405E397-K401 VanDerWaalsContact O-CB 3.24Å; E397-K401 WeakPolarHBondContact O-CB 3.35Å; E397-K401 PolarHBondContact O-N 2.71Å; R398-K401 PolarHBondContact O-N 3.36Å; N399-K401 VanDerWaalsContact C-N 3.33Å; N399-K401 PolarHBondContact O-N 3.06Å; K401-R405 WeakPolarHBondContact O-CB 3.37Å; K401-R405 PolarHBondContact O-N 2.77Å; K401-R405 VanDerWaalsContact O-N 3.12Å
402K91.7Very high89.3Confident107 Ų10781.5 Ų81.547%0.46537%0.374SS..Hα-helixtrans-64.1-47.7170.3-72173.5178.4-178.60111.3R398 N399 L400 R405 K406R398-K402 WeakPolarHBondContact O-CG 3.5Å; R398-K402 PolarHBondContact O-N 3.33Å; N399-K402 WeakPolarHBondContact O-CB 3.41Å; N399-K402 PolarHBondContact O-N 3.3Å; N399-K402 VanDerWaalsContact O-N 3.14Å; L400-K402 PolarHBondContact O-N 3.37Å; K402-R405 WeakPolarHBondContact O-CB 3.44Å; K402-R405 PolarHBondContact O-N 3.09Å; K402-K406 PolarHBondContact O-N 3.07Å
403V90.7Very high90.5Very high0 Ų081.3 Ų81.30%038%0.379CS..Hα-helixtrans-60.3-48.5178.8164.40000111.6T378 L379 E382 Y384 N399 L400 R405 K406 I407T378-V403 HydrophobicContact CG2-CB 4.39Å; T378-V403 HydrophobicContact CG2-CG1 3.77Å; T378-V403 HydrophobicContact CG2-CG2 4.12Å; L379-V403 HydrophobicContact CD2-CB 4.5Å; L379-V403 HydrophobicContact CD2-CG2 3.85Å; L379-V403 HydrophobicContact CG-CG1 4.41Å; L379-V403 HydrophobicContact CG-CG2 4.08Å; E382-V403 HydrophobicContact CG-CG2 4.32Å; Y384-V403 HydrophobicContact CD2-CG2 4.38Å; N399-V403 PolarHBondContact O-N 3.03Å; L400-V403 PolarHBondContact O-N 3.4Å; V403-R405 VanDerWaalsContact C-N 3.28Å; V403-R405 PolarHBondContact O-N 3.29Å; V403-K406 PolarHBondContact O-N 3.19Å; V403-I407 HydrophobicContact CG1-CD1 3.7Å; V403-I407 HydrophobicContact CG1-CG1 4.39Å; V403-I407 WeakPolarHBondContact O-CG1 3.43Å; V403-I407 PolarHBondContact O-N 3.43Å
404R91.6Very high91.2Very high69 Ų6984 Ų8426%0.2639%0.385SS..Hα-helixtrans-57.9-38.6174.7-73.1176.3175.2-153.8-13.1112.4T355 E375 L400 K408T355-R404 PolarHBondContact O-NH1 3.44Å; T355-R404 PolarHBondContact O-NH2 3.28Å; E375-R404 IonicContact OE1-CZ 3.16Å; E375-R404 IonicContact OE1-NE 2.66Å; E375-R404 PolarHBondContact OE1-NE 3.38Å; E375-R404 IonicContact OE1-NH2 2.78Å; E375-R404 PolarHBondContact OE1-NH2 2.93Å; L400-R404 HydrophobicContact CD1-CG 4.22Å; L400-R404 HydrophobicContact CG-CG 4.48Å; L400-R404 WeakPolarHBondContact O-CB 3.48Å; L400-R404 WeakPolarHBondContact O-CG 3.38Å; L400-R404 PolarHBondContact O-N 3.35Å; R404-K408 WeakPolarHBondContact O-CB 3.21Å; R404-K408 PolarHBondContact O-N 3.39Å
405R92.3Very high91.7Very high178 Ų17880.4 Ų80.467%0.67237%0.371SS*.Hα-helixtrans-66.5-44172.7-173.8178.3180179.60111.8K401 K402 V403 K408 N409K401-R405 WeakPolarHBondContact O-CB 3.37Å; K401-R405 PolarHBondContact O-N 2.77Å; K401-R405 VanDerWaalsContact O-N 3.12Å; K402-R405 WeakPolarHBondContact O-CB 3.44Å; K402-R405 PolarHBondContact O-N 3.09Å; V403-R405 VanDerWaalsContact C-N 3.28Å; V403-R405 PolarHBondContact O-N 3.29Å; R405-K408 PolarHBondContact O-N 2.89Å; R405-N409 WeakPolarHBondContact O-CB 3.18Å; R405-N409 PolarHBondContact O-N 3.29Å; R405-N409 PolarHBondContact O-OD1 2.86Å
406K93.9Very high92.2Very high106 Ų10680.5 Ų80.546%0.46138%0.38SS..Hα-helixtrans-60.6-47.6176.8-79.7-174.2163.4-176.50111.7E382 K402 V403 N409 K410E382-K406 WeakPolarHBondContact OE1-CD 3.43Å; E382-K406 IonicContact OE1-NZ 2.6Å; E382-K406 PolarHBondContact OE1-NZ 3.2Å; E382-K406 IonicContact OE2-NZ 2.67Å; E382-K406 PolarHBondContact OE2-NZ 3.39Å; K402-K406 PolarHBondContact O-N 3.07Å; V403-K406 PolarHBondContact O-N 3.19Å; K406-N409 PolarHBondContact O-N 3.47Å; K406-K410 WeakPolarHBondContact O-CB 3.46Å; K406-K410 PolarHBondContact O-N 3.05Å
407I91.4Very high92.8Very high18 Ų1885 Ų859%0.09239%0.394CS..Hα-helixtrans-61.5-48177.1-65.1166.8000111.1E374 E375 T378 V403 N409 K410 I411E374-I407 HydrophobicContact CB-CD1 4.48Å; E374-I407 HydrophobicContact CG-CD1 3.93Å; E374-I407 HydrophobicContact CG-CG1 4.08Å; E374-I407 HydrophobicContact CG-CG2 4.22Å; E375-I407 HydrophobicContact CB-CD1 4.43Å; E375-I407 HydrophobicContact CG-CD1 3.84Å; T378-I407 HydrophobicContact CG2-CG1 4.38Å; V403-I407 HydrophobicContact CG1-CD1 3.7Å; V403-I407 HydrophobicContact CG1-CG1 4.39Å; V403-I407 WeakPolarHBondContact O-CG1 3.43Å; V403-I407 PolarHBondContact O-N 3.43Å; I407-N409 VanDerWaalsContact C-N 3.32Å; I407-N409 PolarHBondContact O-N 3.02Å; I407-K410 WeakPolarHBondContact O-CB 3.24Å; I407-K410 PolarHBondContact O-N 2.87Å; I407-I411 HydrophobicContact CG2-CD1 3.97Å; I407-I411 WeakPolarHBondContact O-CG1 3Å; I407-I411 PolarHBondContact O-N 2.77Å
408K93.8Very high93.3Very high124 Ų12485.2 Ų85.254%0.53939%0.39SS..Hα-helixtrans-60.8-41.4177.7-168.2-176.569.7165.60112R404 R405 S412R404-K408 WeakPolarHBondContact O-CB 3.21Å; R404-K408 PolarHBondContact O-N 3.39Å; R405-K408 PolarHBondContact O-N 2.89Å; K408-S412 WeakPolarHBondContact O-CB 3.48Å; K408-S412 PolarHBondContact O-N 3.15Å
409N96Very high93.8Very high83 Ų8386 Ų8644%0.44440%0.397SS..Hα-helixtrans-68.6-39.5177.6-77.630.3000112.1R405 K406 I407 S412 A413R405-N409 WeakPolarHBondContact O-CB 3.18Å; R405-N409 PolarHBondContact O-N 3.29Å; R405-N409 PolarHBondContact O-OD1 2.86Å; K406-N409 PolarHBondContact O-N 3.47Å; I407-N409 VanDerWaalsContact C-N 3.32Å; I407-N409 PolarHBondContact O-N 3.02Å; N409-S412 PolarHBondContact O-N 3.5Å; N409-A413 VanDerWaalsContact O-CB 3.3Å; N409-A413 WeakPolarHBondContact O-CB 3.43Å; N409-A413 PolarHBondContact O-N 3.09Å
410K95.5Very high94.2Very high112 Ų11289.9 Ų89.949%0.48741%0.414SS..Hα-helixtrans-55.8-51.1173.6176.9-176.7173.6-174.50110.8E374 K406 I407 A413 Q414E374-K410 IonicContact OE1-NZ 2.69Å; E374-K410 PolarHBondContact OE1-NZ 3.04Å; K406-K410 WeakPolarHBondContact O-CB 3.46Å; K406-K410 PolarHBondContact O-N 3.05Å; I407-K410 WeakPolarHBondContact O-CB 3.24Å; I407-K410 PolarHBondContact O-N 2.87Å; K410-A413 PolarHBondContact O-N 3.42Å; K410-Q414 WeakPolarHBondContact O-CB 3.4Å; K410-Q414 PolarHBondContact O-N 2.62Å
411I93.1Very high94.6Very high35 Ų3592.5 Ų92.518%0.17943%0.425CS..Hα-helixtrans-64-46.5178.2-65.2168.5000111.2Y349 I352 I407 A413 Q414 E415Y349-I411 HydrophobicContact CE2-CG2 4.48Å; I352-I411 HydrophobicContact CD1-CD1 3.46Å; I352-I411 VanDerWaalsContact CD1-CD1 3.46Å; I407-I411 HydrophobicContact CG2-CD1 3.97Å; I407-I411 WeakPolarHBondContact O-CG1 3Å; I407-I411 PolarHBondContact O-N 2.77Å; I411-A413 VanDerWaalsContact C-N 3.31Å; I411-A413 PolarHBondContact O-N 2.9Å; I411-Q414 PolarHBondContact O-N 3.18Å; I411-E415 PolarHBondContact O-N 3.15Å
412S95.7Very high94.9Very high66 Ų6688.6 Ų88.646%0.46241%0.409SS..Hα-helixtrans-63.4-34.8179.7-170.10000113.1K408 N409 S416K408-S412 WeakPolarHBondContact O-CB 3.48Å; K408-S412 PolarHBondContact O-N 3.15Å; N409-S412 PolarHBondContact O-N 3.5Å; S412-S416 WeakPolarHBondContact O-CB 3.23Å; S412-S416 PolarHBondContact O-N 3.22Å; S412-S416 VanDerWaalsContact O-N 3.13Å
413A95.9Very high95.2Very high44 Ų4490.8 Ų90.836%0.36442%0.415SS..Hα-helixtrans-74.4-38.7175.400000111.9N409 K410 I411 S416 R417N409-A413 VanDerWaalsContact O-CB 3.3Å; N409-A413 WeakPolarHBondContact O-CB 3.43Å; N409-A413 PolarHBondContact O-N 3.09Å; K410-A413 PolarHBondContact O-N 3.42Å; I411-A413 VanDerWaalsContact C-N 3.31Å; I411-A413 PolarHBondContact O-N 2.9Å; A413-S416 PolarHBondContact O-N 3.33Å; A413-R417 VanDerWaalsContact O-CG 3.3Å; A413-R417 WeakPolarHBondContact O-CG 3.45Å; A413-R417 PolarHBondContact O-N 3.37Å
414Q96.2Very high95.5Very high119 Ų11993.2 Ų93.256%0.55643%0.428SS*.Hα-helixtrans-62.2-46.9174.6-174174.68.700111.3K410 I411 S416 R417 R418K410-Q414 WeakPolarHBondContact O-CB 3.4Å; K410-Q414 PolarHBondContact O-N 2.62Å; I411-Q414 PolarHBondContact O-N 3.18Å; Q414-S416 VanDerWaalsContact C-N 3.35Å; Q414-S416 PolarHBondContact O-N 3.03Å; Q414-R417 PolarHBondContact O-N 3.42Å; Q414-R418 WeakPolarHBondContact O-CB 3.23Å; Q414-R418 PolarHBondContact O-N 3.43Å
415E93.4Very high95.7Very high77 Ų7793.7 Ų93.736%0.3643%0.433SS..Hα-helixtrans-66.2-36.3177.9-16960.5-161.800112I411 R417 R418 K419I411-E415 PolarHBondContact O-N 3.15Å; E415-R417 VanDerWaalsContact C-N 3.35Å; E415-R417 PolarHBondContact O-N 3.01Å; E415-R418 WeakPolarHBondContact O-CB 3.34Å; E415-R418 PolarHBondContact O-N 3.33Å; E415-R418 WeakPolarHBondContact OE2-CD 3.27Å; E415-K419 WeakPolarHBondContact O-CB 3.44Å; E415-K419 PolarHBondContact O-N 2.91Å
416S98Very high96Very high84 Ų8487.1 Ų87.159%0.58742%0.416SS*.Hα-helixtrans-65.3-36173.1-169.30000112.9S412 A413 Q414 K420S412-S416 WeakPolarHBondContact O-CB 3.23Å; S412-S416 PolarHBondContact O-N 3.22Å; S412-S416 VanDerWaalsContact O-N 3.13Å; A413-S416 PolarHBondContact O-N 3.33Å; Q414-S416 VanDerWaalsContact C-N 3.35Å; Q414-S416 PolarHBondContact O-N 3.03Å; S416-K420 PolarHBondContact O-N 3.29Å
417R98.1Very high96.2Very high139 Ų13985.8 Ų85.853%0.52541%0.414SS..Hα-helixtrans-71.1-46.1174.9-73.5169.1-179.4178.1-2.6111.1A413 Q414 E415 K419 K420 K421A413-R417 VanDerWaalsContact O-CG 3.3Å; A413-R417 WeakPolarHBondContact O-CG 3.45Å; A413-R417 PolarHBondContact O-N 3.37Å; Q414-R417 PolarHBondContact O-N 3.42Å; E415-R417 VanDerWaalsContact C-N 3.35Å; E415-R417 PolarHBondContact O-N 3.01Å; R417-K419 VanDerWaalsContact C-N 3.31Å; R417-K419 PolarHBondContact O-N 2.81Å; R417-K420 WeakPolarHBondContact O-CB 3.47Å; R417-K420 PolarHBondContact O-N 3.15Å; R417-K421 PolarHBondContact O-N 3.38Å
418R97.3Very high96.5Very high115 Ų11589.8 Ų89.843%0.43443%0.432SS..Hα-helixtrans-50.1-51.5172.8-176.3-164.9-175.4114.227.5110.9Q414 E415 K420 K421 E422Q414-R418 WeakPolarHBondContact O-CB 3.23Å; Q414-R418 PolarHBondContact O-N 3.43Å; E415-R418 WeakPolarHBondContact O-CB 3.34Å; E415-R418 PolarHBondContact O-N 3.33Å; E415-R418 WeakPolarHBondContact OE2-CD 3.27Å; R418-K420 VanDerWaalsContact C-N 3.32Å; R418-K420 PolarHBondContact O-N 3.17Å; R418-K421 PolarHBondContact O-N 2.84Å; R418-K421 VanDerWaalsContact O-N 3.13Å; R418-E422 HydrophobicContact CG-CG 4.4Å; R418-E422 IonicContact CZ-OE1 3.22Å; R418-E422 IonicContact NE-OE1 2.76Å; R418-E422 PolarHBondContact NE-OE1 2.95Å; R418-E422 IonicContact NE-OE2 2.7Å; R418-E422 IonicContact NH2-OE1 2.78Å; R418-E422 PolarHBondContact NH2-OE1 3.27Å; R418-E422 VanDerWaalsContact NH2-OE1 3.16Å; R418-E422 WeakPolarHBondContact O-CG 3.48Å; R418-E422 PolarHBondContact O-N 2.95Å
419K97.4Very high96.7Very high153 Ų15389.4 Ų89.467%0.66543%0.428SS*.Hα-helixtrans-65.5-30.2-180-168.7173.9-179.8-179.50113.5E415 R417 Y423E415-K419 WeakPolarHBondContact O-CB 3.44Å; E415-K419 PolarHBondContact O-N 2.91Å; R417-K419 VanDerWaalsContact C-N 3.31Å; R417-K419 PolarHBondContact O-N 2.81Å; K419-Y423 VanDerWaalsContact O-CB 3.3Å; K419-Y423 WeakPolarHBondContact O-CB 3.26Å; K419-Y423 PolarHBondContact O-N 2.93Å; K419-Y423 VanDerWaalsContact O-N 3.12Å
420K96.9Very high96.8Very high94 Ų9491.2 Ų91.241%0.40943%0.431SS..Hα-helixtrans-66.9-46.5169.8-173.7-173.5175.1-168.60110.6S416 R417 R418 Y423 L424 E683S416-K420 PolarHBondContact O-N 3.29Å; R417-K420 WeakPolarHBondContact O-CB 3.47Å; R417-K420 PolarHBondContact O-N 3.15Å; R418-K420 VanDerWaalsContact C-N 3.32Å; R418-K420 PolarHBondContact O-N 3.17Å; K420-Y423 PolarHBondContact O-N 2.92Å; K420-L424 HydrophobicContact CG-CD1 4.13Å; K420-L424 WeakPolarHBondContact O-CG 3.08Å; K420-L424 PolarHBondContact O-N 3.24Å; K420-E683 IonicContact NZ-OE2 3.4Å; K420-E683 PolarHBondContact NZ-OE2 3.15Å
421K97Very high96.9Very high67 Ų6790.2 Ų90.229%0.29144%0.435SS..Hα-helixtrans-61.5-50.5178.3-169.2160.6176.8168.20111.4R417 R418 Y423 L424 E425 D688 E691R417-K421 PolarHBondContact O-N 3.38Å; R418-K421 PolarHBondContact O-N 2.84Å; R418-K421 VanDerWaalsContact O-N 3.13Å; K421-Y423 VanDerWaalsContact C-N 3.3Å; K421-Y423 PolarHBondContact O-N 3.43Å; K421-L424 PolarHBondContact O-N 3.5Å; K421-L424 VanDerWaalsContact O-N 3.15Å; K421-E425 WeakPolarHBondContact O-CG 3.44Å; K421-E425 PolarHBondContact O-N 3.37Å; K421-D688 IonicContact NZ-OD1 3.96Å; K421-D688 PolarHBondContact NZ-OD1 2.89Å; K421-E691 IonicContact NZ-OE2 2.8Å; K421-E691 PolarHBondContact NZ-OE2 2.88Å
422E96.7Very high97.1Very high70 Ų7092.3 Ų92.333%0.32745%0.452SS..Hα-helixtrans-61.5-32.2176.2-69.7177.117500113.3Q341 R418 A426Q341-E422 PolarHBondContact NE2-OE1 2.96Å; R418-E422 HydrophobicContact CG-CG 4.4Å; R418-E422 IonicContact CZ-OE1 3.22Å; R418-E422 IonicContact NE-OE1 2.76Å; R418-E422 PolarHBondContact NE-OE1 2.95Å; R418-E422 IonicContact NE-OE2 2.7Å; R418-E422 IonicContact NH2-OE1 2.78Å; R418-E422 PolarHBondContact NH2-OE1 3.27Å; R418-E422 VanDerWaalsContact NH2-OE1 3.16Å; R418-E422 WeakPolarHBondContact O-CG 3.48Å; R418-E422 PolarHBondContact O-N 2.95Å; E422-A426 VanDerWaalsContact O-CB 3.27Å; E422-A426 WeakPolarHBondContact O-CB 3.47Å; E422-A426 PolarHBondContact O-N 3.32Å; E422-A426 VanDerWaalsContact O-N 3.15Å
423Y97.4Very high97.2Very high154 Ų15493.8 Ų93.860%0.60445%0.454SS*.Hα-helixtrans-72.1-41.6173.3176.2-95.8000112.8K419 K420 K421 A426 L427K419-Y423 VanDerWaalsContact O-CB 3.3Å; K419-Y423 WeakPolarHBondContact O-CB 3.26Å; K419-Y423 PolarHBondContact O-N 2.93Å; K419-Y423 VanDerWaalsContact O-N 3.12Å; K420-Y423 PolarHBondContact O-N 2.92Å; K421-Y423 VanDerWaalsContact C-N 3.3Å; K421-Y423 PolarHBondContact O-N 3.43Å; Y423-A426 PolarHBondContact O-N 3.3Å; Y423-L427 PolarHBondContact O-N 3.45Å
424L97.3Very high97.3Very high51 Ų5198.6 Ų98.627%0.26746%0.464SS..Hα-helixtrans-65-49176.5-71.1170.6000111K420 K421 A426 L427 E428 L684K420-L424 HydrophobicContact CG-CD1 4.13Å; K420-L424 WeakPolarHBondContact O-CG 3.08Å; K420-L424 PolarHBondContact O-N 3.24Å; K421-L424 PolarHBondContact O-N 3.5Å; K421-L424 VanDerWaalsContact O-N 3.15Å; L424-A426 PolarHBondContact O-N 3.1Å; L424-L427 WeakPolarHBondContact O-CA 3.45Å; L424-L427 WeakPolarHBondContact O-CB 3.31Å; L424-L427 PolarHBondContact O-N 2.65Å; L424-E428 WeakPolarHBondContact O-CG 3.35Å; L424-E428 PolarHBondContact O-N 3.24Å; L424-L684 HydrophobicContact CD1-CD2 4.35Å
425E97.2Very high97.4Very high79 Ų7996.3 Ų96.337%0.36946%0.461SS..Hα-helixtrans-55.9-34.7173.1-71.6177.1-150.900112.4K421 R429K421-E425 WeakPolarHBondContact O-CG 3.44Å; K421-E425 PolarHBondContact O-N 3.37Å; E425-R429 WeakPolarHBondContact O-CB 3.39Å; E425-R429 PolarHBondContact O-N 3.46Å; E425-R429 VanDerWaalsContact O-N 3.15Å; E425-R429 PolarHBondContact O-NH1 3.38Å
426A97.5Very high97.6Very high39 Ų3997.5 Ų97.532%0.32247%0.466SS..Hα-helixtrans-72.8-33.7175.700000113E422 Y423 L424 K430E422-A426 VanDerWaalsContact O-CB 3.27Å; E422-A426 WeakPolarHBondContact O-CB 3.47Å; E422-A426 PolarHBondContact O-N 3.32Å; E422-A426 VanDerWaalsContact O-N 3.15Å; Y423-A426 PolarHBondContact O-N 3.3Å; L424-A426 PolarHBondContact O-N 3.1Å; A426-K430 WeakPolarHBondContact O-CG 3.42Å; A426-K430 PolarHBondContact O-N 3.45Å
427L98Very high97.6Very high79 Ų7997.9 Ų97.941%0.41446%0.459SS..Hα-helixtrans-73.2-47.6175.9-177.160.4000111.3Y423 L424 R429 K430 V431Y423-L427 PolarHBondContact O-N 3.45Å; L424-L427 WeakPolarHBondContact O-CA 3.45Å; L424-L427 WeakPolarHBondContact O-CB 3.31Å; L424-L427 PolarHBondContact O-N 2.65Å; L427-R429 VanDerWaalsContact C-N 3.31Å; L427-R429 PolarHBondContact O-N 3.34Å; L427-K430 WeakPolarHBondContact O-CB 3.47Å; L427-K430 PolarHBondContact O-N 3.12Å; L427-K430 VanDerWaalsContact O-N 3.07Å; L427-V431 WeakPolarHBondContact O-CG2 3.3Å; L427-V431 PolarHBondContact O-N 2.81Å
428E98Very high97.6Very high101 Ų10195.1 Ų95.147%0.47246%0.455SS..Hα-helixtrans-54.6-46.3174.2-70.8159.4-162.900111.2L424 K430 V431 S432L424-E428 WeakPolarHBondContact O-CG 3.35Å; L424-E428 PolarHBondContact O-N 3.24Å; E428-K430 VanDerWaalsContact C-N 3.35Å; E428-K430 PolarHBondContact O-N 2.67Å; E428-V431 PolarHBondContact O-N 2.83Å; E428-S432 WeakPolarHBondContact O-CB 3.34Å; E428-S432 PolarHBondContact O-N 3.28Å
429R97.8Very high97.6Very high117 Ų11792.4 Ų92.444%0.44245%0.451SS..Hα-helixtrans-62.9-37.4176.1-169.5178.5-61.596.82112.7E425 L427 I433E425-R429 WeakPolarHBondContact O-CB 3.39Å; E425-R429 PolarHBondContact O-N 3.46Å; E425-R429 VanDerWaalsContact O-N 3.15Å; E425-R429 PolarHBondContact O-NH1 3.38Å; L427-R429 VanDerWaalsContact C-N 3.31Å; L427-R429 PolarHBondContact O-N 3.34Å; R429-I433 HydrophobicContact CG-CD1 4.21Å; R429-I433 WeakPolarHBondContact O-CD1 3.15Å; R429-I433 VanDerWaalsContact O-CG1 3.24Å; R429-I433 WeakPolarHBondContact O-CG1 3.48Å; R429-I433 PolarHBondContact O-N 2.92Å
430K98Very high97.6Very high120 Ų12087.3 Ų87.352%0.52243%0.431SS..Hα-helixtrans-67-44173.5-78.1177.1176.7-173.40112A426 L427 E428 S432 I433 Y434A426-K430 WeakPolarHBondContact O-CG 3.42Å; A426-K430 PolarHBondContact O-N 3.45Å; L427-K430 WeakPolarHBondContact O-CB 3.47Å; L427-K430 PolarHBondContact O-N 3.12Å; L427-K430 VanDerWaalsContact O-N 3.07Å; E428-K430 VanDerWaalsContact C-N 3.35Å; E428-K430 PolarHBondContact O-N 2.67Å; K430-S432 VanDerWaalsContact C-N 3.32Å; K430-S432 PolarHBondContact O-N 2.9Å; K430-I433 PolarHBondContact O-N 3.42Å; K430-Y434 HydrophobicContact CB-CE2 4.37Å; K430-Y434 WeakPolarHBondContact O-CD2 3.36Å; K430-Y434 VanDerWaalsContact O-CG 3.31Å; K430-Y434 PolarHBondContact O-N 2.74Å
431V97.8Very high97.6Very high92 Ų9287 Ų8756%0.55843%0.433SS*.Hα-helixtrans-61.9-41.5176.4172.70000110.7L427 E428 S435L427-V431 WeakPolarHBondContact O-CG2 3.3Å; L427-V431 PolarHBondContact O-N 2.81Å; E428-V431 PolarHBondContact O-N 2.83Å; V431-S435 WeakPolarHBondContact O-CB 3.47Å; V431-S435 PolarHBondContact O-N 3.16Å
432S97.6Very high97.7Very high79 Ų7989.6 Ų89.655%0.55244%0.444SS*.Hα-helixtrans-60.4-47.7173.7174.60000112.4E428 K430 S435 Q436E428-S432 WeakPolarHBondContact O-CB 3.34Å; E428-S432 PolarHBondContact O-N 3.28Å; K430-S432 VanDerWaalsContact C-N 3.32Å; K430-S432 PolarHBondContact O-N 2.9Å; S432-S435 PolarHBondContact O-N 2.84Å; S432-Q436 PolarHBondContact O-N 3.12Å
433I97.8Very high97.8Very high96 Ų9693.5 Ų93.549%0.49246%0.456SS..Hα-helixtrans-61.5-50.3177.4-70.3163.6000111.2R429 K430 S435 Q436 E437R429-I433 HydrophobicContact CG-CD1 4.21Å; R429-I433 WeakPolarHBondContact O-CD1 3.15Å; R429-I433 VanDerWaalsContact O-CG1 3.24Å; R429-I433 WeakPolarHBondContact O-CG1 3.48Å; R429-I433 PolarHBondContact O-N 2.92Å; K430-I433 PolarHBondContact O-N 3.42Å; I433-S435 VanDerWaalsContact C-N 3.31Å; I433-S435 PolarHBondContact O-N 2.86Å; I433-Q436 PolarHBondContact O-N 2.96Å; I433-E437 WeakPolarHBondContact O-CB 3.5Å; I433-E437 PolarHBondContact O-N 2.9Å
434Y97.8Very high97.8Very high146 Ų14693.5 Ų93.557%0.57346%0.455SS*.Hα-helixtrans-67.1-31.1-179.7-62.3-27.4000112.7K430 N438K430-Y434 HydrophobicContact CB-CE2 4.37Å; K430-Y434 WeakPolarHBondContact O-CD2 3.36Å; K430-Y434 VanDerWaalsContact O-CG 3.31Å; K430-Y434 PolarHBondContact O-N 2.74Å; Y434-N438 WeakPolarHBondContact O-CB 3.49Å; Y434-N438 PolarHBondContact O-N 2.97Å
435S97.6Very high97.8Very high70 Ų7094.7 Ų94.749%0.4946%0.464SS..Hα-helixtrans-65.1-47.8172.6-171.50000110.9V431 S432 I433 N438 T439V431-S435 WeakPolarHBondContact O-CB 3.47Å; V431-S435 PolarHBondContact O-N 3.16Å; S432-S435 PolarHBondContact O-N 2.84Å; I433-S435 VanDerWaalsContact C-N 3.31Å; I433-S435 PolarHBondContact O-N 2.86Å; S435-N438 WeakPolarHBondContact O-CB 3.22Å; S435-N438 PolarHBondContact O-N 3.28Å; S435-T439 WeakPolarHBondContact O-CG2 3.48Å; S435-T439 PolarHBondContact O-N 3.46Å
436Q97.9Very high97.8Very high102 Ų10295.4 Ų95.448%0.47747%0.471SS..Hα-helixtrans-59.5-50.8175.8-177.558.645.900111.3S432 I433 N438 T439 D440S432-Q436 PolarHBondContact O-N 3.12Å; I433-Q436 PolarHBondContact O-N 2.96Å; Q436-N438 VanDerWaalsContact C-N 3.29Å; Q436-N438 PolarHBondContact O-N 3.32Å; Q436-T439 PolarHBondContact O-N 3.31Å; Q436-T439 PolarHBondContact O-OG1 3.42Å; Q436-D440 VanDerWaalsContact NE2-CG 3.34Å; Q436-D440 PolarHBondContact NE2-OD1 3.25Å; Q436-D440 PolarHBondContact NE2-OD2 3Å; Q436-D440 PolarHBondContact O-N 3.43Å
437E98Very high97.9Very high93 Ų9395.3 Ų95.344%0.43547%0.473SS..Hα-helixtrans-57.2-41177.3-175.3173.1-163.200111.9I433 T439 D440 L441I433-E437 WeakPolarHBondContact O-CB 3.5Å; I433-E437 PolarHBondContact O-N 2.9Å; E437-T439 PolarHBondContact O-N 3.11Å; E437-D440 PolarHBondContact O-N 3.15Å; E437-L441 HydrophobicContact CG-CD1 3.98Å; E437-L441 HydrophobicContact CG-CG 4.39Å; E437-L441 VanDerWaalsContact O-CB 3.29Å; E437-L441 WeakPolarHBondContact O-CB 3.4Å; E437-L441 VanDerWaalsContact O-CG 3.22Å; E437-L441 WeakPolarHBondContact O-CG 3.24Å; E437-L441 PolarHBondContact O-N 3.31Å
438N97.8Very high97.8Very high81 Ų8197.2 Ų97.243%0.43348%0.483SS..Hα-helixtrans-62.5-41.2174.8-168.6-63.3000112Y434 S435 Q436 K442Y434-N438 WeakPolarHBondContact O-CB 3.49Å; Y434-N438 PolarHBondContact O-N 2.97Å; S435-N438 WeakPolarHBondContact O-CB 3.22Å; S435-N438 PolarHBondContact O-N 3.28Å; Q436-N438 VanDerWaalsContact C-N 3.29Å; Q436-N438 PolarHBondContact O-N 3.32Å; N438-K442 WeakPolarHBondContact O-CB 3.32Å; N438-K442 WeakPolarHBondContact O-CG 3.46Å; N438-K442 PolarHBondContact O-N 3.35Å; N438-K442 WeakPolarHBondContact OD1-CD 3.37Å; N438-K442 WeakPolarHBondContact OD1-CE 3.36Å; N438-K442 PolarHBondContact OD1-NZ 3.36Å
439T97.7Very high97.8Very high57 Ų5796.4 Ų96.435%0.3548%0.48SS..Hα-helixtrans-69-37.5176.163.70000113.3S435 Q436 E437 R443S435-T439 WeakPolarHBondContact O-CG2 3.48Å; S435-T439 PolarHBondContact O-N 3.46Å; Q436-T439 PolarHBondContact O-N 3.31Å; Q436-T439 PolarHBondContact O-OG1 3.42Å; E437-T439 PolarHBondContact O-N 3.11Å; T439-R443 WeakPolarHBondContact O-CB 3.25Å; T439-R443 PolarHBondContact O-N 3.47Å
440D97.8Very high97.8Very high46 Ų4694.3 Ų94.325%0.24648%0.483CS..Hα-helixtrans-73.9-34.6177.2-70.2-39.9000112Q436 E437 R443 R444Q436-D440 VanDerWaalsContact NE2-CG 3.34Å; Q436-D440 PolarHBondContact NE2-OD1 3.25Å; Q436-D440 PolarHBondContact NE2-OD2 3Å; Q436-D440 PolarHBondContact O-N 3.43Å; E437-D440 PolarHBondContact O-N 3.15Å; D440-R443 IonicContact OD1-CZ 3.46Å; D440-R443 IonicContact OD1-NH1 2.68Å; D440-R443 PolarHBondContact OD1-NH1 2.82Å; D440-R443 IonicContact OD1-NH2 3.57Å; D440-R444 VanDerWaalsContact O-CG 3.25Å; D440-R444 WeakPolarHBondContact O-CG 3.32Å; D440-R444 PolarHBondContact O-N 3.15Å
441L97.9Very high97.8Very high87 Ų8792.4 Ų92.446%0.45548%0.481SS..Hα-helixtrans-64.6-44.2170.8-74.7171.6000111.5E437 R444 V445E437-L441 HydrophobicContact CG-CD1 3.98Å; E437-L441 HydrophobicContact CG-CG 4.39Å; E437-L441 VanDerWaalsContact O-CB 3.29Å; E437-L441 WeakPolarHBondContact O-CB 3.4Å; E437-L441 VanDerWaalsContact O-CG 3.22Å; E437-L441 WeakPolarHBondContact O-CG 3.24Å; E437-L441 PolarHBondContact O-N 3.31Å; L441-R444 WeakPolarHBondContact O-CB 3.49Å; L441-R444 PolarHBondContact O-N 2.81Å; L441-V445 WeakPolarHBondContact O-CG2 3.33Å; L441-V445 PolarHBondContact O-N 2.94Å
442K98Very high97.8Very high122 Ų12292.2 Ų92.253%0.5348%0.477SS..Hα-helixtrans-57.4-51.9173-80.2168.4172.8158.60111.6N438 R444 V445 D446N438-K442 WeakPolarHBondContact O-CB 3.32Å; N438-K442 WeakPolarHBondContact O-CG 3.46Å; N438-K442 PolarHBondContact O-N 3.35Å; N438-K442 WeakPolarHBondContact OD1-CD 3.37Å; N438-K442 WeakPolarHBondContact OD1-CE 3.36Å; N438-K442 PolarHBondContact OD1-NZ 3.36Å; K442-R444 PolarHBondContact O-N 3.09Å; K442-R444 VanDerWaalsContact O-N 3.15Å; K442-V445 CarbonylContact O-C 3.57Å; K442-V445 WeakPolarHBondContact O-CA 3.49Å; K442-V445 WeakPolarHBondContact O-CB 3.39Å; K442-V445 PolarHBondContact O-N 3.47Å; K442-D446 VanDerWaalsContact O-CG 3.24Å; K442-D446 PolarHBondContact O-N 2.87Å; K442-D446 VanDerWaalsContact O-OD2 3.11Å
443R98Very high97.7Very high153 Ų15395.6 Ų95.658%0.57748%0.478SS*.Hα-helixtrans-56.4-35.2177.5-165-172.2-59.2122.910.5112.6T439 D440 G447T439-R443 WeakPolarHBondContact O-CB 3.25Å; T439-R443 PolarHBondContact O-N 3.47Å; D440-R443 IonicContact OD1-CZ 3.46Å; D440-R443 IonicContact OD1-NH1 2.68Å; D440-R443 PolarHBondContact OD1-NH1 2.82Å; D440-R443 IonicContact OD1-NH2 3.57Å; R443-G447 PolarHBondContact O-N 3.2Å; R443-G447 VanDerWaalsContact O-N 3.12Å
444R97.7Very high97.7Very high154 Ų15494.1 Ų94.158%0.58148%0.476SS*.Hα-helixtrans-69-42.5173.5-72.6169-174.5-173.63.9112.2D440 L441 K442 G447 L448D440-R444 VanDerWaalsContact O-CG 3.25Å; D440-R444 WeakPolarHBondContact O-CG 3.32Å; D440-R444 PolarHBondContact O-N 3.15Å; L441-R444 WeakPolarHBondContact O-CB 3.49Å; L441-R444 PolarHBondContact O-N 2.81Å; K442-R444 PolarHBondContact O-N 3.09Å; K442-R444 VanDerWaalsContact O-N 3.15Å; R444-G447 PolarHBondContact O-N 2.97Å; R444-L448 WeakPolarHBondContact O-CB 3.39Å; R444-L448 VanDerWaalsContact O-CG 3.26Å; R444-L448 WeakPolarHBondContact O-CG 3.3Å; R444-L448 PolarHBondContact O-N 3.49Å
445V98.1Very high97.7Very high75 Ų7592.1 Ų92.146%0.45547%0.474SS..Hα-helixtrans-62.2-49.2174.3172.60000110.4L441 K442 G447 L448 E449L441-V445 WeakPolarHBondContact O-CG2 3.33Å; L441-V445 PolarHBondContact O-N 2.94Å; K442-V445 CarbonylContact O-C 3.57Å; K442-V445 WeakPolarHBondContact O-CA 3.49Å; K442-V445 WeakPolarHBondContact O-CB 3.39Å; K442-V445 PolarHBondContact O-N 3.47Å; V445-G447 VanDerWaalsContact C-N 3.29Å; V445-G447 PolarHBondContact O-N 2.84Å; V445-L448 PolarHBondContact O-N 3.38Å; V445-L448 VanDerWaalsContact O-N 3.11Å; V445-E449 HydrophobicContact CG1-CG 4.21Å; V445-E449 WeakPolarHBondContact O-CG 3.44Å; V445-E449 PolarHBondContact O-N 3.24Å
446D97.7Very high97.7Very high95 Ų9592.4 Ų92.451%0.50847%0.47SS..Hα-helixtrans-55.4-43.9178.1-60-39.5000111.9K442 S450K442-D446 VanDerWaalsContact O-CG 3.24Å; K442-D446 PolarHBondContact O-N 2.87Å; K442-D446 VanDerWaalsContact O-OD2 3.11Å; D446-S450 VanDerWaalsContact O-CB 3.27Å; D446-S450 WeakPolarHBondContact O-CB 3.44Å; D446-S450 PolarHBondContact O-N 3.47Å
447G97.8Very high97.6Very high37 Ų3789.2 Ų89.238%0.38146%0.464SS..Hα-helixtrans-66-44.1175.500000113.4R443 R444 V445 S450 T451R443-G447 PolarHBondContact O-N 3.2Å; R443-G447 VanDerWaalsContact O-N 3.12Å; R444-G447 PolarHBondContact O-N 2.97Å; V445-G447 VanDerWaalsContact C-N 3.29Å; V445-G447 PolarHBondContact O-N 2.84Å; G447-S450 PolarHBondContact O-N 3.13Å; G447-T451 WeakPolarHBondContact O-CG2 3.07Å; G447-T451 PolarHBondContact O-N 2.94Å; G447-T451 PolarHBondContact O-OG1 2.78Å
448L97.7Very high97.5Very high119 Ų11989.8 Ų89.862%0.62347%0.467SS*.Hα-helixtrans-64.1-44.7176.2-74.5169.8000111.5R444 V445 S450 T451 N452R444-L448 WeakPolarHBondContact O-CB 3.39Å; R444-L448 VanDerWaalsContact O-CG 3.26Å; R444-L448 WeakPolarHBondContact O-CG 3.3Å; R444-L448 PolarHBondContact O-N 3.49Å; V445-L448 PolarHBondContact O-N 3.38Å; V445-L448 VanDerWaalsContact O-N 3.11Å; L448-S450 VanDerWaalsContact C-N 3.34Å; L448-S450 PolarHBondContact O-N 3.07Å; L448-T451 PolarHBondContact O-N 3.36Å; L448-T451 PolarHBondContact O-OG1 2.66Å; L448-N452 VanDerWaalsContact O-CB 3.27Å; L448-N452 WeakPolarHBondContact O-CB 3.44Å; L448-N452 PolarHBondContact O-N 3.03Å
449E98Very high97.4Very high84 Ų8490.1 Ų90.139%0.39347%0.469SS..Hα-helixtrans-63.1-39.6174.4-70.1-167.7-178.100112.4V445 N452 R453V445-E449 HydrophobicContact CG1-CG 4.21Å; V445-E449 WeakPolarHBondContact O-CG 3.44Å; V445-E449 PolarHBondContact O-N 3.24Å; E449-N452 PolarHBondContact O-N 3.17Å; E449-R453 WeakPolarHBondContact O-CB 3.37Å; E449-R453 VanDerWaalsContact O-CG 3.3Å; E449-R453 WeakPolarHBondContact O-CG 3.48Å; E449-R453 PolarHBondContact O-N 2.89Å; E449-R453 IonicContact OE2-CZ 3.17Å; E449-R453 IonicContact OE2-NH1 2.7Å; E449-R453 PolarHBondContact OE2-NH1 2.99Å; E449-R453 IonicContact OE2-NH2 2.75Å; E449-R453 PolarHBondContact OE2-NH2 3.42Å
450S97.2Very high97.3Very high73 Ų7395.1 Ų95.151%0.5148%0.481SS..Hα-helixtrans-62-46.7176.2-174.40000111.7D446 G447 L448 N452 R453 S454D446-S450 VanDerWaalsContact O-CB 3.27Å; D446-S450 WeakPolarHBondContact O-CB 3.44Å; D446-S450 PolarHBondContact O-N 3.47Å; G447-S450 PolarHBondContact O-N 3.13Å; L448-S450 VanDerWaalsContact C-N 3.34Å; L448-S450 PolarHBondContact O-N 3.07Å; S450-N452 PolarHBondContact O-N 3.37Å; S450-R453 PolarHBondContact O-N 3.05Å; S450-S454 PolarHBondContact O-N 3.34Å
451T97.2Very high97.2Very high79 Ų7997.6 Ų97.649%0.48549%0.494SS..Hα-helixtrans-64.4-39.9175.157.70000112.2G447 L448 S454 L455G447-T451 WeakPolarHBondContact O-CG2 3.07Å; G447-T451 PolarHBondContact O-N 2.94Å; G447-T451 PolarHBondContact O-OG1 2.78Å; L448-T451 PolarHBondContact O-N 3.36Å; L448-T451 PolarHBondContact O-OG1 2.66Å; T451-S454 WeakPolarHBondContact O-CB 3.25Å; T451-S454 PolarHBondContact O-N 2.9Å; T451-L455 WeakPolarHBondContact O-CB 3.44Å; T451-L455 WeakPolarHBondContact O-CG 3.47Å; T451-L455 PolarHBondContact O-N 3.13Å
452N97.5Very high97Very high88 Ų8898.5 Ų98.547%0.47150%0.498SS..Hα-helixtrans-63.5-46.8175.3-168.7-1.3000111.8L448 E449 S450 S454 L455 L456L448-N452 VanDerWaalsContact O-CB 3.27Å; L448-N452 WeakPolarHBondContact O-CB 3.44Å; L448-N452 PolarHBondContact O-N 3.03Å; E449-N452 PolarHBondContact O-N 3.17Å; S450-N452 PolarHBondContact O-N 3.37Å; N452-S454 VanDerWaalsContact C-N 3.28Å; N452-S454 PolarHBondContact O-N 2.94Å; N452-L455 PolarHBondContact O-N 2.7Å; N452-L456 WeakPolarHBondContact O-CB 3.41Å; N452-L456 WeakPolarHBondContact O-CG 3.5Å; N452-L456 PolarHBondContact O-N 3.14Å; N452-L456 WeakPolarHBondContact OD1-CD1 3.4Å
453R97.3Very high96.8Very high151 Ų15198 Ų9857%0.5750%0.498SS*.Hα-helixtrans-56.2-41.5173.7-77.4-174-88-95.95111.6E449 S450 G457E449-R453 WeakPolarHBondContact O-CB 3.37Å; E449-R453 VanDerWaalsContact O-CG 3.3Å; E449-R453 WeakPolarHBondContact O-CG 3.48Å; E449-R453 PolarHBondContact O-N 2.89Å; E449-R453 IonicContact OE2-CZ 3.17Å; E449-R453 IonicContact OE2-NH1 2.7Å; E449-R453 PolarHBondContact OE2-NH1 2.99Å; E449-R453 IonicContact OE2-NH2 2.75Å; E449-R453 PolarHBondContact OE2-NH2 3.42Å; S450-R453 PolarHBondContact O-N 3.05Å; R453-G457 PolarHBondContact O-N 3.38Å; R453-G457 VanDerWaalsContact O-N 3.07Å
454S97.1Very high96.5Very high64 Ų6496.4 Ų96.445%0.44850%0.497SS..Hα-helixtrans-64.9-48.8174.4-178.20000112.8S450 T451 N452 L456 G457 Q458S450-S454 PolarHBondContact O-N 3.34Å; T451-S454 WeakPolarHBondContact O-CB 3.25Å; T451-S454 PolarHBondContact O-N 2.9Å; N452-S454 VanDerWaalsContact C-N 3.28Å; N452-S454 PolarHBondContact O-N 2.94Å; S454-L456 PolarHBondContact O-N 3.17Å; S454-G457 WeakPolarHBondContact O-CA 3.13Å; S454-G457 PolarHBondContact O-N 2.94Å; S454-G457 VanDerWaalsContact O-N 3.13Å; S454-Q458 WeakPolarHBondContact O-CG 3.15Å; S454-Q458 PolarHBondContact O-N 2.95Å; S454-Q458 PolarHBondContact OG-NE2 3.24Å
455L97.3Very high96.2Very high104 Ų10493.6 Ų93.655%0.54549%0.493SS..Hα-helixtrans-63.4-40.5179.6-71.8169.6000112.3T451 N452 G457 Q458 L459T451-L455 WeakPolarHBondContact O-CB 3.44Å; T451-L455 WeakPolarHBondContact O-CG 3.47Å; T451-L455 PolarHBondContact O-N 3.13Å; N452-L455 PolarHBondContact O-N 2.7Å; L455-G457 VanDerWaalsContact C-N 3.32Å; L455-G457 PolarHBondContact O-N 3.39Å; L455-Q458 PolarHBondContact O-N 3.15Å; L455-L459 VanDerWaalsContact O-CB 3.31Å; L455-L459 WeakPolarHBondContact O-CB 3.37Å; L455-L459 PolarHBondContact O-N 3.36Å
456L97.2Very high95.9Very high76 Ų7694.7 Ų94.740%0.39850%0.5SS..Hα-helixtrans-64.6-35.6173.1-70.4171.6000112.1N452 S454 L459 R460N452-L456 WeakPolarHBondContact O-CB 3.41Å; N452-L456 WeakPolarHBondContact O-CG 3.5Å; N452-L456 PolarHBondContact O-N 3.14Å; N452-L456 WeakPolarHBondContact OD1-CD1 3.4Å; S454-L456 PolarHBondContact O-N 3.17Å; L456-L459 PolarHBondContact O-N 3.04Å; L456-R460 WeakPolarHBondContact O-CB 3.5Å; L456-R460 VanDerWaalsContact O-CG 3.25Å; L456-R460 WeakPolarHBondContact O-CG 3.33Å; L456-R460 PolarHBondContact O-N 3.12Å
457G96.5Very high95.4Very high35 Ų3593.9 Ų93.936%0.36150%0.501SS..Hα-helixtrans-61.5-48.4171.300000112.6R453 S454 L455 L459 R460 L461R453-G457 PolarHBondContact O-N 3.38Å; R453-G457 VanDerWaalsContact O-N 3.07Å; S454-G457 WeakPolarHBondContact O-CA 3.13Å; S454-G457 PolarHBondContact O-N 2.94Å; S454-G457 VanDerWaalsContact O-N 3.13Å; L455-G457 VanDerWaalsContact C-N 3.32Å; L455-G457 PolarHBondContact O-N 3.39Å; G457-L459 PolarHBondContact O-N 2.95Å; G457-R460 PolarHBondContact O-N 3.42Å; G457-L461 PolarHBondContact O-N 3.42Å
458Q96.1Very high94.6Very high106 Ų10698.7 Ų98.750%0.49551%0.512SS..Hα-helixtrans-61.8-42.6176-66.1171.545.700111.8S454 L455 L461 L462S454-Q458 WeakPolarHBondContact O-CG 3.15Å; S454-Q458 PolarHBondContact O-N 2.95Å; S454-Q458 PolarHBondContact OG-NE2 3.24Å; L455-Q458 PolarHBondContact O-N 3.15Å; Q458-L461 WeakPolarHBondContact O-CB 3.32Å; Q458-L461 PolarHBondContact O-N 2.91Å; Q458-L462 WeakPolarHBondContact O-CG 3.35Å; Q458-L462 PolarHBondContact O-N 3.13Å
459L95.9Very high93.5Very high88 Ų8896.1 Ų96.146%0.46150%0.504SS..Hα-helixtrans-64-41.8178.6-173150.2000111.7L455 L456 G457 L462 Q463L455-L459 VanDerWaalsContact O-CB 3.31Å; L455-L459 WeakPolarHBondContact O-CB 3.37Å; L455-L459 PolarHBondContact O-N 3.36Å; L456-L459 PolarHBondContact O-N 3.04Å; G457-L459 PolarHBondContact O-N 2.95Å; L459-L462 PolarHBondContact O-N 2.97Å; L459-Q463 HydrophobicContact CD2-CG 4.18Å; L459-Q463 WeakPolarHBondContact O-CB 3.46Å; L459-Q463 WeakPolarHBondContact O-CG 3.32Å; L459-Q463 PolarHBondContact O-N 3.42Å
460R95.1Very high92.1Very high161 Ų16199.7 Ų99.761%0.60852%0.518SS*.Hα-helixtrans-61.7-42172.5-73.6168-178.6166.10.6112L456 G457 Q463 Q464L456-R460 WeakPolarHBondContact O-CB 3.5Å; L456-R460 VanDerWaalsContact O-CG 3.25Å; L456-R460 WeakPolarHBondContact O-CG 3.33Å; L456-R460 PolarHBondContact O-N 3.12Å; G457-R460 PolarHBondContact O-N 3.42Å; R460-Q463 PolarHBondContact O-N 3.43Å; R460-Q464 WeakPolarHBondContact O-CG 3.39Å; R460-Q464 PolarHBondContact O-N 2.78Å
461L95Very high90.4Very high99 Ų9999.5 Ų99.552%0.51852%0.521SS..Hα-helixtrans-62.8-44.2176.6-174.1154.5000111.2G457 Q458 Q464 L465G457-L461 PolarHBondContact O-N 3.42Å; Q458-L461 WeakPolarHBondContact O-CB 3.32Å; Q458-L461 PolarHBondContact O-N 2.91Å; L461-Q464 PolarHBondContact O-N 2.8Å; L461-L465 HydrophobicContact CD2-CD1 3.69Å; L461-L465 HydrophobicContact CD2-CG 4.27Å; L461-L465 WeakPolarHBondContact O-CG 3.46Å; L461-L465 PolarHBondContact O-N 3.02Å
462L94.9Very high88.5Confident105 Ų10599.4 Ų99.455%0.5552%0.524SS..Hα-helixtrans-63.5-42.3174.9-70.4170.5000112.1Q458 L459 Q464 L465 V466Q458-L462 WeakPolarHBondContact O-CG 3.35Å; Q458-L462 PolarHBondContact O-N 3.13Å; L459-L462 PolarHBondContact O-N 2.97Å; L462-Q464 VanDerWaalsContact C-N 3.31Å; L462-Q464 PolarHBondContact O-N 2.89Å; L462-L465 PolarHBondContact O-N 2.76Å; L462-V466 WeakPolarHBondContact O-CG2 3.22Å; L462-V466 PolarHBondContact O-N 3.11Å
463Q92.7Very high86.6Confident113 Ų113101.8 Ų101.853%0.52854%0.536SS..Hα-helixtrans-58.5-41173.5-76.9175-23.400112.2L459 R460 S467L459-Q463 HydrophobicContact CD2-CG 4.18Å; L459-Q463 WeakPolarHBondContact O-CB 3.46Å; L459-Q463 WeakPolarHBondContact O-CG 3.32Å; L459-Q463 PolarHBondContact O-N 3.42Å; R460-Q463 PolarHBondContact O-N 3.43Å; Q463-S467 VanDerWaalsContact O-CB 3.29Å; Q463-S467 WeakPolarHBondContact O-CB 3.3Å; Q463-S467 PolarHBondContact O-N 3.2Å; Q463-S467 PolarHBondContact O-OG 3.27Å
464Q92.1Very high84.4Confident119 Ų11999.8 Ų99.856%0.55654%0.541SS*.Hα-helixtrans-65.4-40.7175.1-71.4179.19.900112.3R460 L461 L462 S467 K468R460-Q464 WeakPolarHBondContact O-CG 3.39Å; R460-Q464 PolarHBondContact O-N 2.78Å; L461-Q464 PolarHBondContact O-N 2.8Å; L462-Q464 VanDerWaalsContact C-N 3.31Å; L462-Q464 PolarHBondContact O-N 2.89Å; Q464-S467 PolarHBondContact O-N 2.9Å; Q464-K468 WeakPolarHBondContact O-CB 3.26Å; Q464-K468 VanDerWaalsContact O-CG 3.3Å; Q464-K468 WeakPolarHBondContact O-CG 3.36Å; Q464-K468 PolarHBondContact O-N 3.34Å
465L92.7Very high82.3Confident95 Ų95101 Ų10150%0.49755%0.55SS..Hα-helixtrans-65.2-45.5176.6-70.2176.1000112.1L461 L462 S467 K468 S469L461-L465 HydrophobicContact CD2-CD1 3.69Å; L461-L465 HydrophobicContact CD2-CG 4.27Å; L461-L465 WeakPolarHBondContact O-CG 3.46Å; L461-L465 PolarHBondContact O-N 3.02Å; L462-L465 PolarHBondContact O-N 2.76Å; L465-S467 VanDerWaalsContact C-N 3.33Å; L465-S467 PolarHBondContact O-N 2.85Å; L465-K468 PolarHBondContact O-N 3.34Å; L465-S469 PolarHBondContact O-N 3.35Å
466V91Very high80Confident97 Ų97104 Ų10459%0.58857%0.566SS**Hα-helixtrans-64-38.6176.3173.70000111.4L462 S469 K470L462-V466 WeakPolarHBondContact O-CG2 3.22Å; L462-V466 PolarHBondContact O-N 3.11Å; V466-S469 PolarHBondContact O-N 3.49Å; V466-S469 PolarHBondContact O-OG 3.17Å; V466-K470 PolarHBondContact O-N 3.36Å
467S86.2Confident77.7Confident78 Ų78105.8 Ų105.855%0.54559%0.585SS.*Hα-helixtrans-65.1-41.3176.5-59.10000111.8Q463 Q464 L465 K470 A471Q463-S467 VanDerWaalsContact O-CB 3.29Å; Q463-S467 WeakPolarHBondContact O-CB 3.3Å; Q463-S467 PolarHBondContact O-N 3.2Å; Q463-S467 PolarHBondContact O-OG 3.27Å; Q464-S467 PolarHBondContact O-N 2.9Å; L465-S467 VanDerWaalsContact C-N 3.33Å; L465-S467 PolarHBondContact O-N 2.85Å; S467-K470 PolarHBondContact O-N 3.46Å; S467-A471 PolarHBondContact O-N 3.29Å; S467-A471 VanDerWaalsContact O-N 3.15Å
468K82.4Confident75.3Confident139 Ų139110.7 Ų110.760%0.60461%0.608SS**Hα-helixtrans-62.6-41.9174.3-74.9170.1179.4175.70112.2Q464 L465 K470 A471 S472Q464-K468 WeakPolarHBondContact O-CB 3.26Å; Q464-K468 VanDerWaalsContact O-CG 3.3Å; Q464-K468 WeakPolarHBondContact O-CG 3.36Å; Q464-K468 PolarHBondContact O-N 3.34Å; L465-K468 PolarHBondContact O-N 3.34Å; K468-K470 VanDerWaalsContact C-N 3.34Å; K468-K470 PolarHBondContact O-N 3.1Å; K468-A471 PolarHBondContact O-N 3.39Å; K468-S472 PolarHBondContact O-N 3.31Å
469S74.2Confident72.7Confident64 Ų64111.1 Ų111.145%0.44862%0.621SS.*Hα-helixtrans-70.8-26.6178.570.10000113.7L465 V466 S472L465-S469 PolarHBondContact O-N 3.35Å; V466-S469 PolarHBondContact O-N 3.49Å; V466-S469 PolarHBondContact O-OG 3.17Å; S469-S472 PolarHBondContact O-OG 2.71Å
470K68.6Low70.1Confident159 Ų159111.5 Ų111.569%0.69163%0.631SS**Hα-helixtrans-72.2-35.5171.5-163.7172.7-176.7179.70112.1V466 S467 K468 T474V466-K470 PolarHBondContact O-N 3.36Å; S467-K470 PolarHBondContact O-N 3.46Å; K468-K470 VanDerWaalsContact C-N 3.34Å; K468-K470 PolarHBondContact O-N 3.1Å; K470-T474 PolarHBondContact O-OG1 2.92Å
471A60.6Low67.7Low70 Ų70109.7 Ų109.758%0.57964%0.639SS**Hα-helixtrans-65.8-43.1175.700000112.5S467 K468 N473 T474S467-A471 PolarHBondContact O-N 3.29Å; S467-A471 VanDerWaalsContact O-N 3.15Å; K468-A471 PolarHBondContact O-N 3.39Å; A471-N473 PolarHBondContact O-N 3.09Å; A471-T474 PolarHBondContact O-N 3.3Å
472S59.1Low65.2Low77 Ų77112.3 Ų112.354%0.53865%0.653SS.*Hα-helixtrans-65.1-22.3-178.658.80000114.8K468 S469K468-S472 PolarHBondContact O-N 3.31Å; S469-S472 PolarHBondContact O-OG 2.71Å
473N56.6Low63.1Low138 Ų138112.1 Ų112.174%0.73866%0.66SS**THydrogen-bonded Turntrans-97.81.8-172.7-69.312.9000113.9A471A471-N473 PolarHBondContact O-N 3.09Å
474T50.9Low61Low109 Ų109114.2 Ų114.267%0.66968%0.675SS**SBendtrans-110.25.5-173.9-43.10000113.3K470 A471K470-T474 PolarHBondContact O-OG1 2.92Å; A471-T474 PolarHBondContact O-N 3.3Å
475S52.5Low58.9Low90 Ų90118 Ų11863%0.62969%0.69SS**  trans-110.663.2-176.961.90000113.1
476N50.2Low56.5Low166 Ų166119.9 Ų119.989%0.88871%0.705SS**  trans-156.927.9174.9-112.1-19.3000115.4
477S49.5Very low54.2Low114 Ų114118.8 Ų118.880%0.79771%0.714SS**  trans-109.2105.417658.20000112.3
478T45.3Very low52.4Low137 Ų137122.5 Ų122.584%0.8473%0.728SS**  trans-58120.2-172.1-53.10000117.5
479C40.9Very low51.1Low115 Ų115124 Ų12478%0.77774%0.737SS**  trans170.6150.2135.957.50000110.1
480S41.3Very low49.7Very low96 Ų96125.4 Ų125.467%0.67175%0.745SS**  cis-169.8163.1-18.9-87.50000107.7
481T45.7Very low48.8Very low124 Ų124125.6 Ų125.676%0.76175%0.753SS**  trans57.4120.3161.747.60000120.9
482D42.6Very low47.6Very low153 Ų153128.9 Ų128.982%0.81876%0.756SS**  trans64.2143143.1-71.9-49.1000121.6
483S49.9Very low46.7Very low101 Ų101132.9 Ų132.971%0.70677%0.771SS**  cis-158.4170.7-3.749.30000113.3
484N48.2Very low45.6Very low157 Ų157131.7 Ų131.784%0.8477%0.769SS**  trans-29.6135.9178-54.4-62.2000118.9
485K48.6Very low45Very low200 Ų200132 Ų13287%0.8777%0.771SS**  -161.9142.5108.8-148.6156.7-176.5174.50115.3
486T43.3Very low44.2Very low133 Ų133132.9 Ų132.982%0.81678%0.777SS**  trans-49.7144.5176.952.20000117
487G42.4Very low44.1Very low75 Ų75132.2 Ų132.277%0.77377%0.772SS**  trans-16742.5-178.600000121.4
488N48.5Very low43.6Very low155 Ų155134.3 Ų134.383%0.82977%0.774SS**  trans61.1136.2151.9-93.11.4000124.6
489Q54Low43.5Very low170 Ų170131.5 Ų131.579%0.79477%0.772SS**  trans83.6136.1153.8-62.8-68.4-3.500120.4
490P46.2Very low43.4Very low94 Ų94131.6 Ų131.661%0.6177%0.774SS**  trans-106.8174178.642.4-33.7000112.9
491N49.2Very low43.8Very low164 Ų164133 Ų13388%0.87778%0.779SS**  -167.8133.9117.7-96.3-35.6000111.4
492H35.4Very low43.7Very low139 Ų139134 Ų13464%0.64478%0.779SS**  trans-102.1138.6175.3137.8-62.6000109T494H492-T494 PolarHBondContact NE2-OG1 3.01Å
493L39.7Very low43.7Very low161 Ų161132.8 Ų132.884%0.84378%0.779SS**  trans-151.698.9153.9-141.675000110.4
494T33.3Very low43.4Very low112 Ų112133.5 Ų133.569%0.68778%0.784SS**  trans-91.6128.517155.70000110.6H492H492-T494 PolarHBondContact NE2-OG1 3.01Å
495T38Very low43.1Very low117 Ų117132.5 Ų132.572%0.71878%0.784SS**  trans-130.6103.7167.2-540000109.3I497T495-I497 HydrophobicContact CG2-CG1 4.43Å
496S36.4Very low42.6Very low107 Ų107134 Ų13475%0.74878%0.784SS**  trans-87.2136.6168.3520000110.2
497I47.1Very low42.7Very low153 Ų153133.2 Ų133.279%0.78577%0.774SS**  trans-130.2117.3163-60.4-178.1000107T495T495-I497 HydrophobicContact CG2-CG1 4.43Å
498N40.2Very low42.7Very low157 Ų157135.3 Ų135.384%0.8477%0.772SS**  trans-82.7123.3177.2-66.4-33.8000109.4
499G43Very low42.8Very low78 Ų78137.2 Ų137.280%0.80477%0.769SS**  trans-126.3111.9170.400000109.6
500S37.6Very low42.9Very low117 Ų117133.9 Ų133.982%0.81876%0.764SS**  trans-114.9108.3-170.31670000111.7
501V49.7Very low43.2Very low127 Ų127137.2 Ų137.277%0.7778%0.777SS**  trans-148.9135.5157.7-120.80000111.6
502D43.7Very low43.7Very low145 Ų145132.3 Ų132.378%0.77577%0.765SS**  trans47.6113.8154-54.5-20.5000122.7
503P43.9Very low45.2Very low126 Ų126129.4 Ų129.482%0.81876%0.761SS**  trans-125.495.6155.435.5-20.7000112.6
504S43.1Very low47.1Very low116 Ų116126.7 Ų126.781%0.81175%0.753SS**  trans-142.161.1-179.1-80.20000116
505T41Very low49.5Very low136 Ų136124.7 Ų124.783%0.83474%0.743SS**  trans-15366.6156.512.80000110.6I507T505-I507 VanDerWaalsContact C-N 3.35Å; T505-I507 PolarHBondContact O-N 3.31Å
506R40.1Very low51.6Low233 Ų233122.5 Ų122.588%0.87973%0.729SS**  trans-75.684.6177.2-168.8-173.9-62.3-149.32.1110.5T508R506-T508 PolarHBondContact O-N 2.68Å
507I43.5Very low53.7Low116 Ų116121.5 Ų121.560%0.59572%0.721SS**  trans-65.6114.5168-63.2178.8000108.1T505 Y509T505-I507 VanDerWaalsContact C-N 3.35Å; T505-I507 PolarHBondContact O-N 3.31Å; I507-Y509 HydrophobicContact CB-CE2 4.18Å; I507-Y509 HydrophobicContact CG2-CD2 4.28Å; I507-Y509 HydrophobicContact CG2-CE2 3.95Å; I507-Y509 WeakPolarHBondContact O-CD2 3.27Å; I507-Y509 PolarHBondContact O-N 3.12Å
508T42.3Very low55.8Low118 Ų118120 Ų12072%0.72472%0.715SS**  trans-7691.7179.1-570000110R506 S510R506-T508 PolarHBondContact O-N 2.68Å; T508-S510 VanDerWaalsContact C-N 3.3Å; T508-S510 PolarHBondContact O-N 2.94Å
509Y52.5Low58.1Low195 Ų195117.6 Ų117.677%0.76570%0.7SS**  trans-67.889.3165.3-68.5-84.4000109.6I507I507-Y509 HydrophobicContact CB-CE2 4.18Å; I507-Y509 HydrophobicContact CG2-CD2 4.28Å; I507-Y509 HydrophobicContact CG2-CE2 3.95Å; I507-Y509 WeakPolarHBondContact O-CD2 3.27Å; I507-Y509 PolarHBondContact O-N 3.12Å
510S54.1Low60.3Low101 Ų101118.8 Ų118.871%0.70669%0.691SS**  trans-66134.6167.553.80000109.8T508 G512T508-S510 VanDerWaalsContact C-N 3.3Å; T508-S510 PolarHBondContact O-N 2.94Å; S510-G512 PolarHBondContact O-N 2.87Å
511N53.9Low62.7Low164 Ų164119.6 Ų119.688%0.87768%0.68SS**  trans-56103.1-177.1-64.7-27.2000111.7S513N511-S513 PolarHBondContact O-N 3.38Å; N511-S513 VanDerWaalsContact O-N 3.17Å
512G58.6Low64.6Low61 Ų61116.3 Ų116.363%0.62967%0.666SS**  trans-64.9113.7177.200000110.5S510S510-G512 PolarHBondContact O-N 2.87Å
513S68Low66.8Low78 Ų78115.3 Ų115.355%0.54566%0.66SS.*  trans-62.3143.3172.6-71.50000109.7N511 S515 T516N511-S513 PolarHBondContact O-N 3.38Å; N511-S513 VanDerWaalsContact O-N 3.17Å; S513-S515 PolarHBondContact O-N 3.39Å; S513-T516 PolarHBondContact O-N 2.89Å; S513-T516 PolarHBondContact O-OG1 3.28Å
514P79.1Confident68.8Low104 Ų104112.9 Ų112.968%0.67565%0.645SS**Hα-helixtrans-56.2-25.4-174.319.8-32.2000113.7T516 C517 L518P514-T516 VanDerWaalsContact C-N 3.32Å; P514-T516 PolarHBondContact O-N 2.89Å; P514-C517 PolarHBondContact O-N 2.77Å; P514-L518 WeakPolarHBondContact O-CG 3.49Å; P514-L518 PolarHBondContact O-N 3.07Å
515S84.1Confident70.9Confident69 Ų69113.5 Ų113.548%0.48363%0.633SS.*Hα-helixtrans-53.5-38.5170.4173.10000114.3S513 L518 M519S513-S515 PolarHBondContact O-N 3.39Å; S515-L518 PolarHBondContact O-N 3.45Å; S515-M519 WeakPolarHBondContact O-CG 3.48Å; S515-M519 PolarHBondContact O-N 3.28Å
516T82.5Confident73.1Confident71 Ų71109.1 Ų109.144%0.43661%0.611SS.*Hα-helixtrans-72.5-37179.459.90000112S513 P514 M519 V520S513-T516 PolarHBondContact O-N 2.89Å; S513-T516 PolarHBondContact O-OG1 3.28Å; P514-T516 VanDerWaalsContact C-N 3.32Å; P514-T516 PolarHBondContact O-N 2.89Å; T516-M519 HydrophobicContact CG2-CE 4.16Å; T516-M519 PolarHBondContact O-N 3.09Å; T516-V520 WeakPolarHBondContact O-CG2 3.26Å; T516-V520 PolarHBondContact O-N 3.05Å
517C80Confident75.2Confident86 Ų86101.4 Ų101.458%0.58160%0.597SS**Hα-helixtrans-62.2-46.2173.1-166.40000110.8P514 M519 V520 F521P514-C517 PolarHBondContact O-N 2.77Å; C517-M519 PolarHBondContact O-N 3.26Å; C517-V520 PolarHBondContact O-N 3.47Å; C517-F521 PolarHBondContact O-N 3.39Å
518L90.5Very high77.1Confident123 Ų123102 Ų10264%0.64460%0.601SS**Hα-helixtrans-63.2-37.1175.5-68.2174.6000112.9P514 S515 F521 A522P514-L518 WeakPolarHBondContact O-CG 3.49Å; P514-L518 PolarHBondContact O-N 3.07Å; S515-L518 PolarHBondContact O-N 3.45Å; L518-F521 PolarHBondContact O-N 3.05Å; L518-A522 VanDerWaalsContact O-CB 3.27Å; L518-A522 WeakPolarHBondContact O-CB 3.34Å; L518-A522 PolarHBondContact O-N 2.97Å
519M88Confident78.5Confident106 Ų106108.1 Ų108.152%0.52261%0.611SS.*Hα-helixtrans-65.4-40.7174.2-78.6-170.6-69.900112.7S515 T516 C517 A522 L523S515-M519 WeakPolarHBondContact O-CG 3.48Å; S515-M519 PolarHBondContact O-N 3.28Å; T516-M519 HydrophobicContact CG2-CE 4.16Å; T516-M519 PolarHBondContact O-N 3.09Å; C517-M519 PolarHBondContact O-N 3.26Å; M519-A522 PolarHBondContact O-N 2.79Å; M519-L523 WeakPolarHBondContact O-CB 3.43Å; M519-L523 WeakPolarHBondContact O-CG 3.45Å; M519-L523 PolarHBondContact O-N 2.72Å
520V89.6Confident79.4Confident102 Ų102105.4 Ų105.462%0.61861%0.608SS**Hα-helixtrans-65.5-41.5175.1173.10000110.9T516 C517 L523 C524T516-V520 WeakPolarHBondContact O-CG2 3.26Å; T516-V520 PolarHBondContact O-N 3.05Å; C517-V520 PolarHBondContact O-N 3.47Å; V520-L523 PolarHBondContact O-N 2.81Å; V520-C524 WeakPolarHBondContact O-CB 3.47Å; V520-C524 PolarHBondContact O-N 3.19Å
521F89.5Confident79.3Confident135 Ų135103 Ų10359%0.59260%0.6SS**Hα-helixtrans-62.7-45.4175.1-128.5-103.3000111.8C517 L518 C524 F525C517-F521 PolarHBondContact O-N 3.39Å; L518-F521 PolarHBondContact O-N 3.05Å; F521-C524 WeakPolarHBondContact O-CB 3.38Å; F521-C524 PolarHBondContact O-N 2.69Å; F521-F525 AromaticContact CD1-CD2 3.99Å; F521-F525 HydrophobicContact CD1-CD2 3.99Å; F521-F525 AromaticContact CD1-CE2 3.79Å; F521-F525 HydrophobicContact CD1-CE2 3.79Å; F521-F525 HydrophobicContact CE1-CD2 4.31Å; F521-F525 AromaticContact CE1-CE2 3.64Å; F521-F525 HydrophobicContact CE1-CE2 3.64Å; F521-F525 WeakPolarHBondContact O-CD2 3.49Å; F521-F525 PolarHBondContact O-N 2.64Å
522A89Confident79.2Confident58 Ų58103.8 Ų103.848%0.47960%0.598SS.*Hα-helixtrans-64.4-39.6178.300000112.7L518 M519 F525 A526L518-A522 VanDerWaalsContact O-CB 3.27Å; L518-A522 WeakPolarHBondContact O-CB 3.34Å; L518-A522 PolarHBondContact O-N 2.97Å; M519-A522 PolarHBondContact O-N 2.79Å; A522-F525 PolarHBondContact O-N 3.04Å; A522-A526 VanDerWaalsContact O-CB 3.3Å; A522-A526 WeakPolarHBondContact O-CB 3.37Å; A522-A526 PolarHBondContact O-N 3.45Å
523L88.6Confident79Confident124 Ų124106.8 Ų106.865%0.64961%0.607SS**Hα-helixtrans-64.3-39173.4-78.2166.6000112.1M519 V520 A526 A527M519-L523 WeakPolarHBondContact O-CB 3.43Å; M519-L523 WeakPolarHBondContact O-CG 3.45Å; M519-L523 PolarHBondContact O-N 2.72Å; V520-L523 PolarHBondContact O-N 2.81Å; L523-A526 PolarHBondContact O-N 3.26Å; L523-A527 WeakPolarHBondContact O-CB 3.42Å; L523-A527 PolarHBondContact O-N 3.32Å
524C87.7Confident77.8Confident74 Ų74109.4 Ų109.450%0.563%0.625SS.*Hα-helixtrans-63.8-46.9175.7-166.10000111.7V520 F521 A527 L528V520-C524 WeakPolarHBondContact O-CB 3.47Å; V520-C524 PolarHBondContact O-N 3.19Å; F521-C524 WeakPolarHBondContact O-CB 3.38Å; F521-C524 PolarHBondContact O-N 2.69Å; C524-A527 PolarHBondContact O-N 2.93Å; C524-L528 WeakPolarHBondContact O-CG 3.26Å; C524-L528 PolarHBondContact O-N 2.83Å; C524-L528 VanDerWaalsContact O-N 3.12Å
525F86.8Confident75.9Confident129 Ų129107.9 Ų107.957%0.56663%0.628SS**Hα-helixtrans-64.8-39.3175.4-91.8-98.2000112.9F521 A522 L528 W529F521-F525 AromaticContact CD1-CD2 3.99Å; F521-F525 HydrophobicContact CD1-CD2 3.99Å; F521-F525 AromaticContact CD1-CE2 3.79Å; F521-F525 HydrophobicContact CD1-CE2 3.79Å; F521-F525 HydrophobicContact CE1-CD2 4.31Å; F521-F525 AromaticContact CE1-CE2 3.64Å; F521-F525 HydrophobicContact CE1-CE2 3.64Å; F521-F525 WeakPolarHBondContact O-CD2 3.49Å; F521-F525 PolarHBondContact O-N 2.64Å; A522-F525 PolarHBondContact O-N 3.04Å; F525-L528 PolarHBondContact O-N 3.01Å; F525-W529 PolarHBondContact O-N 3.2Å
526A86.3Confident73.8Confident44 Ų44112.6 Ų112.636%0.36465%0.648SS.*Hα-helixtrans-63.8-41.3175.800000112.1A522 L523 L528 W529 I530A522-A526 VanDerWaalsContact O-CB 3.3Å; A522-A526 WeakPolarHBondContact O-CB 3.37Å; A522-A526 PolarHBondContact O-N 3.45Å; L523-A526 PolarHBondContact O-N 3.26Å; A526-L528 VanDerWaalsContact C-N 3.33Å; A526-L528 PolarHBondContact O-N 3.39Å; A526-W529 PolarHBondContact O-N 2.87Å; A526-I530 WeakPolarHBondContact O-CB 3.37Å; A526-I530 WeakPolarHBondContact O-CG1 3.39Å; A526-I530 PolarHBondContact O-N 2.85Å; A526-I530 VanDerWaalsContact O-N 3.11Å
527A84.2Confident71.7Confident72 Ų72112.5 Ų112.560%0.59566%0.66SS**Hα-helixtrans-62.8-38.1175.600000112.4L523 C524 W529L523-A527 WeakPolarHBondContact O-CB 3.42Å; L523-A527 PolarHBondContact O-N 3.32Å; C524-A527 PolarHBondContact O-N 2.93Å; A527-W529 VanDerWaalsContact C-N 3.33Å; A527-W529 PolarHBondContact O-N 3.01Å
528L83.6Confident69.6Low129 Ų129115.3 Ų115.368%0.67567%0.67SS**Hα-helixtrans-68.1-25.7176.8-76.2164.6000113.9C524 F525 A526C524-L528 WeakPolarHBondContact O-CG 3.26Å; C524-L528 PolarHBondContact O-N 2.83Å; C524-L528 VanDerWaalsContact O-N 3.12Å; F525-L528 PolarHBondContact O-N 3.01Å; A526-L528 VanDerWaalsContact C-N 3.33Å; A526-L528 PolarHBondContact O-N 3.39Å
529W72.5Confident67.3Low245 Ų245117.9 Ų117.993%0.92868%0.678SS**Hα-helixtrans-101.5-15.2-177.1-112.219.4000115.4F525 A526 A527F525-W529 PolarHBondContact O-N 3.2Å; A526-W529 PolarHBondContact O-N 2.87Å; A527-W529 VanDerWaalsContact C-N 3.33Å; A527-W529 PolarHBondContact O-N 3.01Å
530I70.4Confident64.8Low138 Ų138118.3 Ų118.371%0.70869%0.692SS**Hα-helixtrans-92.7-7-179-72.6171.6000112.9A526 Q532A526-I530 WeakPolarHBondContact O-CB 3.37Å; A526-I530 WeakPolarHBondContact O-CG1 3.39Å; A526-I530 PolarHBondContact O-N 2.85Å; A526-I530 VanDerWaalsContact O-N 3.11Å; I530-Q532 VanDerWaalsContact C-N 3.29Å; I530-Q532 PolarHBondContact O-N 3.48Å
531G52.6Low62.3Low51 Ų51117.8 Ų117.853%0.52670%0.699SS.*  trans-74.944.4-175.500000117.8
532Q52.7Low59.7Low180 Ų180119.5 Ų119.584%0.84171%0.71SS**  trans-136.871.3176.3-75.7-69.4-79.100113.7I530 S534I530-Q532 VanDerWaalsContact C-N 3.29Å; I530-Q532 PolarHBondContact O-N 3.48Å; Q532-S534 PolarHBondContact O-N 3.4Å
533P53.3Low57.2Low125 Ų125124.9 Ų124.981%0.81273%0.731SS**  trans-77.4116.4169.231.1-32.1000111.4G535P533-G535 PolarHBondContact O-N 3.37Å
534S42.8Very low54.7Low132 Ų132124.9 Ų124.992%0.92374%0.741SS**  trans-72.2122.2169.7-176.20000110.4Q532Q532-S534 PolarHBondContact O-N 3.4Å
535G39.9Very low52.2Low72 Ų72124.8 Ų124.874%0.74275%0.753SS**  trans-157.390.4-173.400000113.5P533 G537P533-G535 PolarHBondContact O-N 3.37Å; G535-G537 PolarHBondContact O-N 2.9Å
536N38.4Very low49.6Very low169 Ų169127.2 Ų127.290%0.90477%0.771SS**  trans-85.6104.1176.3-169.215.9000110.1
537G38.5Very low47.1Very low68 Ų68130 Ų13070%0.70179%0.788SS**  trans-161.3132.9-176.300000113.6G535G535-G537 PolarHBondContact O-N 2.9Å
538N37.4Very low44.7Very low145 Ų145135 Ų13578%0.77580%0.797SS**  trans-91.9159.1-175.5-61.8-52.3000113.2
539Q41.7Very low42.5Very low177 Ų177134.3 Ų134.383%0.82780%0.798SS**  trans89.198160-60.5160.9122.900118.3
540S34.8Very low40.6Very low115 Ų115129.1 Ų129.180%0.80479%0.788SS**  41.9110.4125.562.70000120.3
541A36.8Very low38.8Very low92 Ų92128 Ų12876%0.7679%0.792SS**  -162.6128.8125.900000111.6
542M35.4Very low38.2Very low170 Ų170130.7 Ų130.784%0.83780%0.8SS**  trans-20.2124.9163.257.3-154.272.700118.3
543N37.9Very low37.6Very low171 Ų171129.6 Ų129.691%0.91480%0.795SS**  trans-164.3149.7138.7-98.9-41.1000110.8
544S35.9Very low36.7Very low124 Ų124129.9 Ų129.987%0.86779%0.79SS**  trans-91.9131.4-170.253.60000113.7
545G34.1Very low36.2Very low72 Ų72128.1 Ų128.174%0.74278%0.778SS**  trans-165.1136.216900000110.8
546L33Very low36.2Very low181 Ų181133.2 Ų133.295%0.94878%0.779SS**  trans-85.3131-176.7-65.6168.4000110.8
547S33.6Very low36.7Very low103 Ų103130.9 Ų130.972%0.7277%0.767SS**  trans-141.9111.8171.7610000111
548F33.1Very low36.5Very low176 Ų176133.3 Ų133.377%0.77276%0.759SS**  trans-81.8134.4171.942.2-90.4000109.8
549T36.8Very low36.4Very low115 Ų115137.5 Ų137.571%0.70676%0.764SS**  trans-142.291.4179.559.60000111.8S551T549-S551 PolarHBondContact O-N 2.7Å
550L34.6Very low36.6Very low136 Ų136135 Ų13571%0.71276%0.76SS**  trans-69.2120.8165.2-114.369.7000109.5
551S32.7Very low37.2Very low115 Ų115133.7 Ų133.780%0.80475%0.751SS**  trans-117.2118.3179.4-172.60000111.3T549T549-S551 PolarHBondContact O-N 2.7Å
552P39.1Very low37.4Very low106 Ų106135.5 Ų135.569%0.68874%0.744SS**  trans-90153.5173.335.3-32.9000112.5
553Q39.1Very low37.6Very low157 Ų157132.7 Ų132.773%0.73474%0.736SS**  trans47.5102.9150.6-62.1-68.1-0.400118.8
554N34.6Very low37.6Very low132 Ų132130.5 Ų130.571%0.70673%0.731SS**  trans-178.193.5134.3-104.6-58.3000113.7
555S33.5Very low37.6Very low95 Ų95132.8 Ų132.866%0.66473%0.728SS**  trans-88.84.9-179.2-59.70000115.5
556F40Very low37.6Very low178 Ų178139.7 Ų139.778%0.78173%0.732SS**SBendtrans-94.4-34.4-172.9-137.8-99.5000114.5F558F556-F558 PolarHBondContact O-N 2.69Å
557N47.3Very low37.7Very low120 Ų120138.7 Ų138.764%0.64273%0.726SS**THydrogen-bonded Turntrans-78.4-14.5-170.4-73.2-50.5000115.4S561N557-S561 PolarHBondContact O-OG 3.01Å
558F34.9Very low37.8Very low120 Ų120140.2 Ų140.253%0.52673%0.731SS.*THydrogen-bonded Turntrans-76.3-23.4-177.7-167.3-98.5000113.4F556 S561F556-F558 PolarHBondContact O-N 2.69Å; F558-S561 PolarHBondContact O-OG 3.4Å
559W35.6Very low38Very low232 Ų232137.9 Ų137.988%0.87974%0.737SS**SBendtrans-78.8-27.4-170-165.766.4000114.3
560V46.2Very low38Very low124 Ų124135.9 Ų135.975%0.75274%0.739SS**SBendtrans-86.6-17.9-175.1-176.80000112.6
561S46.9Very low38Very low88 Ų88135.2 Ų135.262%0.61575%0.746SS**SBendtrans-100.5-3.8-165.747.20000115.8N557 F558N557-S561 PolarHBondContact O-OG 3.01Å; F558-S561 PolarHBondContact O-OG 3.4Å
562Q42.2Very low38Very low130 Ų130137.1 Ų137.161%0.60775%0.746SS**  trans-107.669.6-179.5-66.9-158.7-16.300114.1
563V39Very low37.9Very low111 Ų111136.8 Ų136.867%0.67375%0.746SS**  trans-113.2102.5161-179.50000109Q565V563-Q565 VanDerWaalsContact C-N 3.35Å; V563-Q565 HydrophobicContact CG1-CG 4.46Å; V563-Q565 PolarHBondContact O-N 3.32Å
564P37Very low38Very low125 Ų125137.7 Ų137.781%0.81275%0.75SS**  trans-7278.8-177-21.335.2000114.1R566P564-R566 PolarHBondContact O-N 3.16Å
565Q36.5Very low38.3Very low172 Ų172139 Ų13980%0.80476%0.756SS**  trans-75.1108.6164-69.8-67.5-600109.5V563V563-Q565 VanDerWaalsContact C-N 3.35Å; V563-Q565 HydrophobicContact CG1-CG 4.46Å; V563-Q565 PolarHBondContact O-N 3.32Å
566R34.6Very low38.3Very low217 Ų217137.3 Ų137.382%0.81975%0.753SS**  trans-141.5116.2172.2-94.2-151.3175.2-158.41113P564P564-R566 PolarHBondContact O-N 3.16Å
567L33.9Very low38.2Very low160 Ų160139.6 Ų139.684%0.83876%0.758SS**  trans68.1136.7166-44.2175.4000112.9
568V36.4Very low37.7Very low136 Ų136139.1 Ų139.182%0.82476%0.764SS**  cis-130.6142.626.4172.40000111.5G570V568-G570 PolarHBondContact O-N 3.12Å
569S38.5Very low37.7Very low127 Ų127143 Ų14389%0.88878%0.781SS**  trans-75.9111.7165.8-58.40000110.4
570G35.8Very low37.6Very low72 Ų72136.6 Ų136.674%0.74277%0.772SS**  trans-129.2130.1172.800000110.1V568V568-G570 PolarHBondContact O-N 3.12Å
571S35.2Very low37.2Very low123 Ų123140 Ų14086%0.8678%0.776SS**  trans-82.1139.9-172.3-163.50000113
572L30.9Very low36.5Very low154 Ų154143.1 Ų143.181%0.80678%0.781SS**SBendtrans11.9136.9151.2-143.976.8000119.8
573S38.2Very low36.1Very low99 Ų99142.9 Ų142.969%0.69279%0.79SS**  trans83.270.2153.7-50.20000119.9
574Q41.2Very low36Very low177 Ų177145.6 Ų145.683%0.82780%0.796SS**  trans-175.1136.8133.4-108.9170.99.100112.9
575I40.7Very low35.7Very low160 Ų160149 Ų14982%0.82180%0.798SS**  trans60.9130.7159-50.3156.7000115.4
576G33.3Very low35.6Very low58 Ų58148.9 Ų148.960%0.59880%0.803SS**  cis156.71482.200000109
577Y38.5Very low35.4Very low227 Ų227145.9 Ų145.989%0.8980%0.798SS**  trans67.678.6178.9-52.4-73.5000117.5
578S36.9Very low35.4Very low110 Ų110148 Ų14877%0.76980%0.797SS**  trans-71.8140.2151.254.30000111.1
579F33.9Very low35.4Very low202 Ų202149 Ų14989%0.88679%0.79SS**  trans-107.987.1163.1-118.3-86.1000109.9
580S34.3Very low35.1Very low97 Ų97151.5 Ų151.568%0.67879%0.787SS**  trans-123.5137164.7-179.60000108.6
581K36.7Very low34.9Very low194 Ų194153.4 Ų153.484%0.84379%0.789SS**  trans-131.678.3172.3-84-164.1172.4-172.40109.9
582Q32.3Very low34.8Very low155 Ų155151.4 Ų151.472%0.72478%0.775SS**  trans-105.6106.6160.1-16517725.800107.3Q584Q582-Q584 PolarHBondContact O-N 3.04Å; Q582-Q584 VanDerWaalsContact O-N 3.15Å
583P35.1Very low34.9Very low124 Ų124152.8 Ų152.881%0.80578%0.775SS**  trans-80.592.6178.331.5-31.6000109.5
584Q36.8Very low34.8Very low169 Ų169154.1 Ų154.179%0.7977%0.774SS**  trans-75.2154.8167.5-82.3-153.3-18.700111.8Q582Q582-Q584 PolarHBondContact O-N 3.04Å; Q582-Q584 VanDerWaalsContact O-N 3.15Å
585F29Very low34.5Very low196 Ų196151 Ų15186%0.8676%0.763SS**  trans-52.6147.3174.2-91.9-130.2000112.4
586N35.2Very low34.2Very low169 Ų169151.8 Ų151.890%0.90476%0.761SS**  trans-142.7121.3140.4-104.9-44.5000109.2
587E31.2Very low34.3Very low154 Ų154155.3 Ų155.372%0.7277%0.766SS**  trans-90.1120-177.7175-161155.800109.7
588Y34Very low34.3Very low205 Ų205149.2 Ų149.280%0.80475%0.752SS**  trans-154.796.8157-99-66.9000114.2
589K36Very low34.3Very low157 Ų157152.4 Ų152.468%0.68375%0.753SS**  trans50.7104141-61.3-177.2-178179.20121.4
590H30.8Very low34.3Very low180 Ų180151.1 Ų151.183%0.83375%0.747SS**  77.1141.3124.2-88.7-89.5000123.7
591S31.6Very low34.4Very low111 Ų111151.3 Ų151.378%0.77675%0.748SS**  trans77.3140.4150.972.10000119.6
592S33.3Very low34.4Very low82 Ų82150.6 Ų150.657%0.57374%0.741SS**  cis-171.3148.7-28.5-145.10000111.5
593F33.6Very low34.5Very low183 Ų183150.2 Ų150.280%0.80374%0.744SS**  trans63.2160.8163.9-49.6-56.3000115.7
594D36.9Very low34.5Very low126 Ų126148.1 Ų148.167%0.67474%0.737SS**  cis-163.4170.1-16.6-115.336.4000107.6
595N35.5Very low34.5Very low112 Ų112149.1 Ų149.160%0.59974%0.742SS**  cis175.5177.4-22.1-176.66.7000109.4
596F33.7Very low34.7Very low176 Ų176144.3 Ų144.377%0.77273%0.732SS**  trans69.5154.1173.5-71.8-94.3000120.3
597D36Very low34.8Very low132 Ų132142.5 Ų142.571%0.70673%0.727SS**  cis-174.3172.2-43-163.66.8000110.2
598V38Very low35.2Very low99 Ų99140.7 Ų140.760%0.673%0.727SS**  trans71.1150.7157153.90000118.1
599K36.9Very low35.5Very low178 Ų178138.3 Ų138.377%0.77472%0.723SS**  cis-156.2162.1-28.8-90.7165.2-173.1136.60105.8
600K33.8Very low35.6Very low174 Ų174137 Ų13776%0.75772%0.723SS**  cis100138.822.1-158.1-179.6-178.5-175.20115.2
601S35.1Very low36Very low102 Ų102133.9 Ų133.971%0.71372%0.721SS**  trans86.9150.4179.1-52.90000116.8
602Y37.3Very low36.6Very low179 Ų179134.4 Ų134.470%0.70272%0.722SS**  cis-167.8153.6-32.1-109.9-69.9000109.1
603D35.1Very low36.8Very low147 Ų147138.3 Ų138.379%0.78673%0.731SS**  trans57.7173.7158.4-54.8-28.7000120.7
604A34.5Very low37Very low79 Ų79136.2 Ų136.265%0.65372%0.724SS**  -165.5163.8-50.700000111
605Q37.8Very low37.2Very low191 Ų191136.9 Ų136.989%0.89372%0.723SS**  trans66.1163.3170.3-57.8177.64.400117.2
606S32.8Very low37.3Very low94 Ų94136.8 Ų136.866%0.65773%0.727SS**  cis-169169.8-36.765.90000110.2
607V37.1Very low37.5Very low132 Ų132133 Ų13380%0.872%0.722SS**  trans68.8146.6157.4162.80000117.6
608V39.7Very low37.8Very low116 Ų116135.6 Ų135.670%0.70373%0.727SS**  cis-168.2176.8-28.794.90000110.3
609H41Very low37.7Very low155 Ų155138.4 Ų138.472%0.71874%0.738SS**  trans85.1127.4163.6-87.6-58.1000124
610D36.7Very low37.7Very low128 Ų128135.9 Ų135.968%0.68474%0.737SS**  trans64.6104.5133.9-64.29.1000126.4
611S39.6Very low37.7Very low115 Ų115132.3 Ų132.380%0.80473%0.734SS**  60.9154.3104.5-66.80000124.1
612P44.3Very low37.9Very low122 Ų122136.2 Ų136.279%0.79274%0.741SS**  trans-131.9170.5-149.542.8-26.5000117.7
613Q37.5Very low37.8Very low164 Ų164135.6 Ų135.677%0.76675%0.749SS**  trans-152.5139.3159.3-106.8180-80.700112.4
614E38.6Very low37.9Very low139 Ų139133.6 Ų133.665%0.6574%0.744SS**  trans48.2157.4135.3-61.8-170.6116.600122.5
615Q39.5Very low37.8Very low141 Ų141137.4 Ų137.466%0.65975%0.748SS**  cis-157.4167.8-20.6-118.1-165.768.900109.8
616T38.7Very low37.6Very low109 Ų109136.4 Ų136.467%0.66974%0.743SS**  trans56.7109.2152.452.40000123.5
617S38.5Very low37.7Very low98 Ų98137 Ų13769%0.68575%0.747SS**  98.2121.5113.378.20000124.1
618K40.9Very low37.4Very low185 Ų185135.9 Ų135.980%0.80475%0.746SS**  trans75.1127.6130.8-73.7174.9-178.9176.90122.9
619L35.9Very low37.4Very low158 Ų158136 Ų13683%0.82775%0.749SS**  trans68.1151.8147.5-62.7168.9000117.9
620V36.7Very low37Very low125 Ų125132.8 Ų132.876%0.75875%0.749SS**  cis-154.8166.7-36.296.90000108.9
621S34.8Very low37Very low99 Ų99131.8 Ų131.869%0.69275%0.748SS**  trans-26.6136.6179.7-47.50000119.3
622Q38.1Very low37Very low184 Ų184132.6 Ų132.686%0.8674%0.739SS**  -179.8118.7102.7-96.9179.73.300115.5
623L36.2Very low36.6Very low166 Ų166134.9 Ų134.987%0.86974%0.736SS**  trans61172.2142.9-108.268.8000119.2
624P37Very low36.3Very low106 Ų106135.4 Ų135.469%0.68874%0.736SS**  -137-164.5-121.143.6-22.7000115.9
625Q31.8Very low36.1Very low158 Ų158136.9 Ų136.974%0.73874%0.743SS**  trans119.9139154.6-64.9-169.8-24.100115
626H34.1Very low36Very low170 Ų170134.7 Ų134.779%0.78774%0.739SS**  trans60.7150.2172.3-55-74.3000116.7
627S35.1Very low35.7Very low106 Ų106137.3 Ų137.374%0.74174%0.744SS**  cis-158.8150.2-25.5450000109.6
628S30Very low35.5Very low110 Ų110142.1 Ų142.177%0.76975%0.747SS**  trans-65.4174170.6-49.10000111.9
629P39.3Very low35.2Very low119 Ų119138.8 Ų138.877%0.77375%0.747SS**  cis-149.8179.319.345.6-26000119.8
630A33.5Very low35.2Very low86 Ų86142.5 Ų142.571%0.71175%0.75SS**  trans73.4161.1147.400000118.5
631T36.1Very low35.4Very low107 Ų107143.9 Ų143.966%0.65675%0.752SS**  cis-154.2134.312.7-28.50000113.8
632Q39.8Very low35.5Very low133 Ų133146.9 Ų146.962%0.62176%0.76SS**  trans55.8167.7145.9-76.4164.618.100120.3F634Q632-F634 HydrophobicContact CG-CD2 4.16Å; Q632-F634 HydrophobicContact CG-CE2 4.32Å
633K36.9Very low35.4Very low170 Ų170141.7 Ų141.774%0.73976%0.756SS**  cis-131.6145.1-2.6-100.3116.7179151.30107.6
634F31.1Very low35.4Very low174 Ų174143.1 Ų143.176%0.76376%0.758SS**  78.110555.7-81.3-65.4000117.4Q632Q632-F634 HydrophobicContact CG-CD2 4.16Å; Q632-F634 HydrophobicContact CG-CE2 4.32Å
635H34.4Very low35.2Very low170 Ų170143.2 Ų143.279%0.78777%0.768SS**  trans-159.7120131.6-126-125.4000107.8
636V36.3Very low35.6Very low96 Ų96140.3 Ų140.358%0.58277%0.765SS**  71.6130.677.8163.40000111
637Q34Very low35.8Very low163 Ų163141.3 Ų141.376%0.76277%0.77SS**  cis-148.9174.53.8-125.3165.212.900106.7
638R33.6Very low35.9Very low199 Ų199144.1 Ų144.175%0.75178%0.776SS**  cis-158.2130.919.9-156177.9-164.7175.75.7108.5
639S34.8Very low36.4Very low116 Ų116147.1 Ų147.181%0.81178%0.778SS**  trans-94.3139.4171.4-56.20000110.8
640R36.2Very low36.2Very low235 Ų235149.1 Ų149.189%0.88778%0.781SS**  trans-134.3101.7156.7-90.3-173.1167.7167.8-5.7108.4
641L40.2Very low36.4Very low154 Ų154151.4 Ų151.481%0.80679%0.791SS**  trans-134.8125.9176.7-137174.4000104.7
642L37.6Very low36.7Very low163 Ų163149.2 Ų149.285%0.85379%0.79SS**  trans60.8105.4-178.9-59.6164.1000115.4
643G35.9Very low36.9Very low75 Ų75148.9 Ų148.977%0.77380%0.799SS**  trans-98.2149.1141.400000108
644E35.3Very low37.2Very low196 Ų196145.5 Ų145.592%0.91680%0.803SS**  trans-79.1165.3-176.5-70.1178.7106.500112.8
645A33.2Very low38Very low108 Ų108143.3 Ų143.389%0.89380%0.799SS**  trans-93.9107.3-179.400000110.9
646S39.7Very low39.4Very low97 Ų97137.9 Ų137.968%0.67878%0.78SS**  trans-154.5122.1166.255.60000110.5
647E39.4Very low40.7Very low190 Ų190140.1 Ų140.189%0.88878%0.782SS**  trans75.9143.6157.8-61172.4-172.900120.4
648L37.4Very low41.5Very low166 Ų166139.5 Ų139.587%0.86977%0.773SS**  trans79.5145161.2-136.663000120.5
649E38.9Very low42.8Very low173 Ų173131.5 Ų131.581%0.80875%0.747SS**  trans-102.3-173.1-168.1-69146.5124.300112.4
650D35.8Very low44.1Very low160 Ų160135.9 Ų135.986%0.85675%0.748SS**  trans55.196.2175.7-79.4-15.1000118.7
651C38Very low45.3Very low135 Ų135129.1 Ų129.191%0.91273%0.729SS**  trans-145.2149.7142.5-102.70000111.3
652G43.3Very low46.6Very low61 Ų61129.6 Ų129.663%0.62973%0.725SS**  trans-66.1-173-177.100000115.2A654G652-A654 PolarHBondContact O-N 2.83Å; G652-A654 VanDerWaalsContact O-N 3.15Å
653P42.3Very low47Very low126 Ų126123.9 Ų123.982%0.81871%0.705SS**SBendtrans-53119.4-162.320.8-33.8000113N655P653-N655 PolarHBondContact O-N 3.45Å
654A44.6Very low47.3Very low99 Ų99124.4 Ų124.482%0.81869%0.69SS**  trans-55.5113.3-174.200000111.4G652 S656G652-A654 PolarHBondContact O-N 2.83Å; G652-A654 VanDerWaalsContact O-N 3.15Å; A654-S656 PolarHBondContact O-N 3.41Å
655N46.7Very low47.4Very low128 Ų128121.5 Ų121.568%0.68469%0.688SS**  trans-56.7110.7-177.7-77-60.7000110.6P653 N664P653-N655 PolarHBondContact O-N 3.45Å; N655-N664 PolarHBondContact OD1-ND2 2.89Å
656S64.5Low47.8Very low56 Ų56121.9 Ų121.939%0.39268%0.68SS.*  trans-64.4150.8-179.7-1780000110.7A654 W658 S659 Y660A654-S656 PolarHBondContact O-N 3.41Å; S656-W658 PolarHBondContact O-N 3.07Å; S656-W658 PolarHBondContact OG-N 3.48Å; S656-S659 WeakPolarHBondContact O-CA 3.37Å; S656-S659 WeakPolarHBondContact O-CB 3.42Å; S656-S659 PolarHBondContact O-N 3.19Å; S656-Y660 PolarHBondContact O-N 3.02Å
657F62.4Low47.6Very low142 Ų142122.3 Ų122.362%0.62368%0.683SS**Hα-helixtrans-50.3-30.7167.3172.4-106.7000112.1Y660 L661F657-Y660 PolarHBondContact O-N 2.86Å; F657-L661 HydrophobicContact CD1-CD1 4.24Å; F657-L661 HydrophobicContact CE1-CD1 3.51Å; F657-L661 HydrophobicContact CE2-CD1 4.21Å; F657-L661 HydrophobicContact CZ-CD1 3.49Å; F657-L661 VanDerWaalsContact CZ-CD1 3.49Å; F657-L661 PolarHBondContact O-N 3.25Å
658W51.1Low47.4Very low151 Ų151119.2 Ų119.257%0.57268%0.682SS**Hα-helixtrans-72.3-34.8174.9-62.1117.3000114S656 Y660 L661 F662S656-W658 PolarHBondContact O-N 3.07Å; S656-W658 PolarHBondContact OG-N 3.48Å; W658-Y660 PolarHBondContact O-N 3.43Å; W658-L661 HydrophobicContact CE3-CD1 4.33Å; W658-L661 HydrophobicContact CZ3-CD1 4.28Å; W658-L661 PolarHBondContact O-N 2.85Å; W658-L661 VanDerWaalsContact O-N 3.09Å; W658-F662 HydrophobicContact CD2-CE2 4.47Å; W658-F662 AromaticContact CE3-CD2 3.92Å; W658-F662 HydrophobicContact CE3-CD2 3.92Å; W658-F662 AromaticContact CE3-CE2 3.41Å; W658-F662 HydrophobicContact CE3-CE2 3.41Å; W658-F662 VanDerWaalsContact CE3-CE2 3.41Å; W658-F662 HydrophobicContact CE3-CZ 4.31Å; W658-F662 AromaticContact CZ3-CE2 3.66Å; W658-F662 HydrophobicContact CZ3-CE2 3.66Å; W658-F662 HydrophobicContact CZ3-CZ 4.18Å; W658-F662 PolarHBondContact O-N 3.31Å
659S61.1Low47.2Very low30 Ų30119.7 Ų119.721%0.2168%0.677CS.*Hα-helixtrans-63.3-31.8172.3-63.60000112.1S656 G663 N664S656-S659 WeakPolarHBondContact O-CA 3.37Å; S656-S659 WeakPolarHBondContact O-CB 3.42Å; S656-S659 PolarHBondContact O-N 3.19Å; S659-G663 CarbonylContact O-C 3.41Å; S659-G663 WeakPolarHBondContact O-CA 3.24Å; S659-G663 PolarHBondContact O-N 2.91Å; S659-G663 VanDerWaalsContact O-N 3.07Å; S659-N664 WeakPolarHBondContact CB-OD1 3.38Å; S659-N664 PolarHBondContact OG-OD1 3.19Å
660Y63Low46.9Very low209 Ų209120 Ų12082%0.8268%0.678SS**Hα-helixtrans-75.2-24.3174-167.7-93.1000113S656 F657 W658S656-Y660 PolarHBondContact O-N 3.02Å; F657-Y660 PolarHBondContact O-N 2.86Å; W658-Y660 PolarHBondContact O-N 3.43Å
661L61.7Low46.8Very low92 Ų92121 Ų12148%0.48268%0.677SS.*Hα-helixtrans-96.1-29-176.1-111.5170.2000114.5F657 W658F657-L661 HydrophobicContact CD1-CD1 4.24Å; F657-L661 HydrophobicContact CE1-CD1 3.51Å; F657-L661 HydrophobicContact CE2-CD1 4.21Å; F657-L661 HydrophobicContact CZ-CD1 3.49Å; F657-L661 VanDerWaalsContact CZ-CD1 3.49Å; F657-L661 PolarHBondContact O-N 3.25Å; W658-L661 HydrophobicContact CE3-CD1 4.33Å; W658-L661 HydrophobicContact CZ3-CD1 4.28Å; W658-L661 PolarHBondContact O-N 2.85Å; W658-L661 VanDerWaalsContact O-N 3.09Å
662F65.9Low46.6Very low165 Ų165121.8 Ų121.872%0.72467%0.671SS**Hα-helixtrans-1241.1-176.9-60.8-51.7000113.7W658W658-F662 HydrophobicContact CD2-CE2 4.47Å; W658-F662 AromaticContact CE3-CD2 3.92Å; W658-F662 HydrophobicContact CE3-CD2 3.92Å; W658-F662 AromaticContact CE3-CE2 3.41Å; W658-F662 HydrophobicContact CE3-CE2 3.41Å; W658-F662 VanDerWaalsContact CE3-CE2 3.41Å; W658-F662 HydrophobicContact CE3-CZ 4.31Å; W658-F662 AromaticContact CZ3-CE2 3.66Å; W658-F662 HydrophobicContact CZ3-CE2 3.66Å; W658-F662 HydrophobicContact CZ3-CZ 4.18Å; W658-F662 PolarHBondContact O-N 3.31Å
663G47.6Very low45.9Very low42 Ų42125.4 Ų125.443%0.43369%0.685SS.*  trans76.2166.1-172.600000113.1S659S659-G663 CarbonylContact O-C 3.41Å; S659-G663 WeakPolarHBondContact O-CA 3.24Å; S659-G663 PolarHBondContact O-N 2.91Å; S659-G663 VanDerWaalsContact O-N 3.07Å
664N41.4Very low45.5Very low86 Ų86122.5 Ų122.546%0.4668%0.678SS.*  trans-89.3122.6164.7-77.7-26.7000108.4N655 S659 T666N655-N664 PolarHBondContact OD1-ND2 2.89Å; S659-N664 WeakPolarHBondContact CB-OD1 3.38Å; S659-N664 PolarHBondContact OG-OD1 3.19Å; N664-T666 PolarHBondContact O-N 3.44Å
665P37.7Very low44.9Very low135 Ų135128.9 Ų128.988%0.87768%0.681SS**  trans-78.584.1-179.231.3-34.6000110.9
666T41Very low44.5Very low117 Ų117129.3 Ų129.372%0.71868%0.683SS**  trans-122.2101.9-179.554.10000113.1N664N664-T666 PolarHBondContact O-N 3.44Å
667S35Very low43Very low106 Ų106134.2 Ų134.274%0.74171%0.705SS**  trans60.3101.2151.1-177.70000119.4
668S35.7Very low41.8Very low124 Ų124134.5 Ų134.587%0.86771%0.713SS**  trans-110.4136.6136.4560000109.1
669K34Very low41.3Very low177 Ų177134.3 Ų134.377%0.7772%0.722SS**  trans-94.3157.4179.1-76.2-174.1174.2-178.30111.3
670H32.5Very low40.2Very low180 Ų180138 Ų13883%0.83375%0.746SS**  trans61.591.7168.9-64.9-80.3000117.5
671Q33.4Very low39.3Very low181 Ų181134.5 Ų134.585%0.84674%0.74SS**  -159.2155.2111.6-113.8179.617.200113.1
672I33.6Very low38.9Very low150 Ų150135.8 Ų135.877%0.76975%0.751SS**  trans61.699.2167.4-56.3161.8000115.6
673C28.7Very low37.9Very low137 Ų137132.3 Ų132.393%0.92674%0.738SS**  trans-76.9130.3157.1178.90000109.1
674G33.8Very low37.9Very low65 Ų65134 Ų13467%0.6774%0.736SS**  trans-160.8115.3179.800000111
675R32.6Very low38.2Very low233 Ų233135.4 Ų135.488%0.87974%0.74SS**  trans-44.4139.1-178.2-63.2168.6169.2133.5-5.3113.9
676N37.6Very low38.8Very low138 Ų138133.6 Ų133.674%0.73872%0.722SS**  -176.5136.3111.4-87-7.8000111.3D678N676-D678 PolarHBondContact O-N 2.93Å
677D33Very low39.2Very low159 Ų159131.1 Ų131.185%0.8570%0.702SS**  trans-93.284.6179.9-60.8-84.6000111.2
678D36.9Very low40.1Very low148 Ų148129.2 Ų129.279%0.79168%0.684SS**  trans-122.5105.7175-86.1-59.5000111.1N676N676-D678 PolarHBondContact O-N 2.93Å
679L40.7Very low41.3Very low146 Ų146126.4 Ų126.476%0.76466%0.659SS**  trans-83.3157.4-177.5-107.466.4000113.1I681L679-I681 PolarHBondContact O-N 3.44Å
680P38.9Very low42.7Very low108 Ų108121.4 Ų121.470%0.70164%0.64SS**SBendtrans-81.978.6-159.733.5-37.6000114.1
681I43.1Very low43.8Very low136 Ų136117.5 Ų117.570%0.69762%0.622SS**  trans-99-26.9178.4-61.7176.3000112.3L679L679-I681 PolarHBondContact O-N 3.44Å
682T54.4Low45Very low118 Ų118115.3 Ų115.372%0.72461%0.606SS**Hα-helixtrans-71.8-28.5-174.2340000115.6L686T682-L686 PolarHBondContact O-N 3.02Å
683E44.8Very low46Very low93 Ų93113.6 Ų113.644%0.43560%0.598SS.*Hα-helixtrans-61.9-46.1178.4-92-100.8115.700112K420 L686 F687K420-E683 IonicContact NZ-OE2 3.4Å; K420-E683 PolarHBondContact NZ-OE2 3.15Å; E683-L686 PolarHBondContact O-N 2.93Å; E683-F687 WeakPolarHBondContact O-CD2 3.49Å; E683-F687 PolarHBondContact O-N 3.3Å; E683-F687 VanDerWaalsContact O-N 3.11Å; E683-F687 WeakPolarHBondContact OE2-CE2 3.13Å
684L48.2Very low47Very low78 Ų78111.3 Ų111.341%0.40858%0.576SS.*Hα-helixtrans-64.9-44.7-177.5-74.4172.8000111.6L424 L686 F687 D688L424-L684 HydrophobicContact CD1-CD2 4.35Å; L684-L686 VanDerWaalsContact C-N 3.3Å; L684-L686 PolarHBondContact O-N 3.38Å; L684-F687 PolarHBondContact O-N 3.06Å; L684-F687 VanDerWaalsContact O-N 3.17Å; L684-D688 PolarHBondContact O-N 3.39Å
685Q47Very low47.5Very low114 Ų114114 Ų11453%0.53357%0.573SS.*Hα-helixtrans-57.8-43.6177.3-166.46827.900111.6F687 D688 D689Q685-F687 PolarHBondContact O-N 3.21Å; Q685-D688 PolarHBondContact O-N 3.25Å; Q685-D689 PolarHBondContact O-N 2.81Å
686L50.1Low48.2Very low97 Ų97108.6 Ų108.651%0.50856%0.561SS.*Hα-helixtrans-65.5-36.5178.4-176.263.1000112.6T682 E683 L684 I690T682-L686 PolarHBondContact O-N 3.02Å; E683-L686 PolarHBondContact O-N 2.93Å; L684-L686 VanDerWaalsContact C-N 3.3Å; L684-L686 PolarHBondContact O-N 3.38Å; L686-I690 HydrophobicContact CD1-CD1 4.19Å; L686-I690 HydrophobicContact CG-CD1 4.12Å; L686-I690 WeakPolarHBondContact O-CB 3.1Å; L686-I690 WeakPolarHBondContact O-CD1 3.41Å; L686-I690 VanDerWaalsContact O-CG1 3.25Å; L686-I690 WeakPolarHBondContact O-CG1 3.48Å; L686-I690 PolarHBondContact O-N 3.05Å
687F50.1Low48.7Very low65 Ų65106.9 Ų106.929%0.28556%0.556SS.*Hα-helixtrans-68-42.3174.4-76.8-62.1000112.4E683 L684 Q685 I690 E691E683-F687 WeakPolarHBondContact O-CD2 3.49Å; E683-F687 PolarHBondContact O-N 3.3Å; E683-F687 VanDerWaalsContact O-N 3.11Å; E683-F687 WeakPolarHBondContact OE2-CE2 3.13Å; L684-F687 PolarHBondContact O-N 3.06Å; L684-F687 VanDerWaalsContact O-N 3.17Å; Q685-F687 PolarHBondContact O-N 3.21Å; F687-I690 PolarHBondContact O-N 3.48Å; F687-E691 WeakPolarHBondContact O-CB 3.48Å; F687-E691 PolarHBondContact O-N 3.01Å
688D53.7Low49Very low67 Ų67105.3 Ų105.336%0.35855%0.546SS..Hα-helixtrans-71.7-31.8-179.9-80.20.6000112.5K421 L684 Q685 R692K421-D688 IonicContact NZ-OD1 3.96Å; K421-D688 PolarHBondContact NZ-OD1 2.89Å; L684-D688 PolarHBondContact O-N 3.39Å; Q685-D688 PolarHBondContact O-N 3.25Å; D688-R692 WeakPolarHBondContact O-CB 3.48Å; D688-R692 PolarHBondContact O-N 2.95Å
689D61Low49Very low65 Ų65102.6 Ų102.635%0.34853%0.531SS..Hα-helixtrans-63.6-45.4169.6-75.9-27000111.6Q685 R692 D693Q685-D689 PolarHBondContact O-N 2.81Å; D689-R692 WeakPolarHBondContact O-CB 3.21Å; D689-R692 PolarHBondContact O-N 3.15Å; D689-R692 IonicContact OD1-CZ 2.69Å; D689-R692 IonicContact OD1-NH1 2.81Å; D689-R692 PolarHBondContact OD1-NH1 3.23Å; D689-R692 IonicContact OD1-NH2 2.74Å; D689-R692 PolarHBondContact OD1-NH2 2.67Å; D689-D693 PolarHBondContact O-N 2.6Å
690I63.4Low48.7Very low72 Ų72101.6 Ų101.637%0.36953%0.533SS..Hα-helixtrans-67.5-35.7176.9-68.6167.8000111.8L686 F687 L694L686-I690 HydrophobicContact CD1-CD1 4.19Å; L686-I690 HydrophobicContact CG-CD1 4.12Å; L686-I690 WeakPolarHBondContact O-CB 3.1Å; L686-I690 WeakPolarHBondContact O-CD1 3.41Å; L686-I690 VanDerWaalsContact O-CG1 3.25Å; L686-I690 WeakPolarHBondContact O-CG1 3.48Å; L686-I690 PolarHBondContact O-N 3.05Å; F687-I690 PolarHBondContact O-N 3.48Å; I690-L694 HydrophobicContact CG2-CD1 4Å; I690-L694 WeakPolarHBondContact O-CB 3.1Å; I690-L694 WeakPolarHBondContact O-CG 3.42Å; I690-L694 PolarHBondContact O-N 3.14Å
691E54.1Low48.5Very low98 Ų98103.3 Ų103.346%0.45854%0.537SS..Hα-helixtrans-68.2-37.1174.9-172.2152.4-123.200111.1K421 F687 M695K421-E691 IonicContact NZ-OE2 2.8Å; K421-E691 PolarHBondContact NZ-OE2 2.88Å; F687-E691 WeakPolarHBondContact O-CB 3.48Å; F687-E691 PolarHBondContact O-N 3.01Å; E691-M695 VanDerWaalsContact O-CB 3.32Å; E691-M695 WeakPolarHBondContact O-CB 3.49Å; E691-M695 VanDerWaalsContact O-CG 3.25Å; E691-M695 WeakPolarHBondContact O-CG 3.3Å; E691-M695 PolarHBondContact O-N 2.98Å
692R60.2Low48.2Very low134 Ų134102 Ų10251%0.50654%0.54SS..Hα-helixtrans-62.7-47.2171.8-124.6179.2-64.2109.44.7112.5D688 D689 M695 L696D688-R692 WeakPolarHBondContact O-CB 3.48Å; D688-R692 PolarHBondContact O-N 2.95Å; D689-R692 WeakPolarHBondContact O-CB 3.21Å; D689-R692 PolarHBondContact O-N 3.15Å; D689-R692 IonicContact OD1-CZ 2.69Å; D689-R692 IonicContact OD1-NH1 2.81Å; D689-R692 PolarHBondContact OD1-NH1 3.23Å; D689-R692 IonicContact OD1-NH2 2.74Å; D689-R692 PolarHBondContact OD1-NH2 2.67Å; R692-M695 WeakPolarHBondContact O-CB 3.49Å; R692-M695 PolarHBondContact O-N 3.32Å; R692-L696 WeakPolarHBondContact O-CG 3.19Å; R692-L696 PolarHBondContact O-N 3.5Å; R692-L696 VanDerWaalsContact O-N 3.09Å
693D52.7Low47.2Very low115 Ų115101.8 Ų101.862%0.61554%0.539SS*.Hα-helixtrans-66.8-40-177.9-138.540.3000111.1D689 L696 T697D689-D693 PolarHBondContact O-N 2.6Å; D693-L696 PolarHBondContact O-N 3.34Å; D693-T697 PolarHBondContact O-N 3.25Å
694L49.8Very low46.6Very low88 Ų88104 Ų10446%0.46155%0.553SS.*Hα-helixtrans-67.4-38173.3-76.6168.7000113.1I690 L696 T697I690-L694 HydrophobicContact CG2-CD1 4Å; I690-L694 WeakPolarHBondContact O-CB 3.1Å; I690-L694 WeakPolarHBondContact O-CG 3.42Å; I690-L694 PolarHBondContact O-N 3.14Å; L694-L696 VanDerWaalsContact C-N 3.27Å; L694-L696 PolarHBondContact O-N 2.86Å; L694-T697 PolarHBondContact O-N 3.12Å; L694-T697 VanDerWaalsContact O-N 3.1Å; L694-T697 PolarHBondContact O-OG1 3.3Å
695M45.1Very low46Very low123 Ų123105.8 Ų105.861%0.60657%0.572SS**Hα-helixtrans-59.3-37.7173.1-83.9-67.7-63.800112.2E691 R692 T697 L698E691-M695 VanDerWaalsContact O-CB 3.32Å; E691-M695 WeakPolarHBondContact O-CB 3.49Å; E691-M695 VanDerWaalsContact O-CG 3.25Å; E691-M695 WeakPolarHBondContact O-CG 3.3Å; E691-M695 PolarHBondContact O-N 2.98Å; R692-M695 WeakPolarHBondContact O-CB 3.49Å; R692-M695 PolarHBondContact O-N 3.32Å; M695-T697 VanDerWaalsContact C-N 3.31Å; M695-T697 PolarHBondContact O-N 3.45Å; M695-L698 PolarHBondContact O-N 3.11Å
696L46.9Very low45.5Very low119 Ų119108.5 Ų108.562%0.62358%0.583SS**Hα-helixtrans-67.2-29.4175.2-69.8168.1000112.7R692 D693 L694 L698R692-L696 WeakPolarHBondContact O-CG 3.19Å; R692-L696 PolarHBondContact O-N 3.5Å; R692-L696 VanDerWaalsContact O-N 3.09Å; D693-L696 PolarHBondContact O-N 3.34Å; L694-L696 VanDerWaalsContact C-N 3.27Å; L694-L696 PolarHBondContact O-N 2.86Å; L696-L698 PolarHBondContact O-N 2.92Å
697T49.4Very low44.7Very low102 Ų102114 Ų11463%0.62660%0.598SS**THydrogen-bonded Turntrans-74.8-6.117567.60000115D693 L694 M695D693-T697 PolarHBondContact O-N 3.25Å; L694-T697 PolarHBondContact O-N 3.12Å; L694-T697 VanDerWaalsContact O-N 3.1Å; L694-T697 PolarHBondContact O-OG1 3.3Å; M695-T697 VanDerWaalsContact C-N 3.31Å; M695-T697 PolarHBondContact O-N 3.45Å
698L38.7Very low43.9Very low125 Ų125122.4 Ų122.465%0.65463%0.63SS**THydrogen-bonded Turntrans-100.70.7-175.6-79.3162.9000114.8M695 L696M695-L698 PolarHBondContact O-N 3.11Å; L696-L698 PolarHBondContact O-N 2.92Å
699L36.5Very low43Very low91 Ų91125.1 Ų125.148%0.47665%0.653SS.*SBendtrans-71.5141.2170-98.467.8000111.3N701L699-N701 VanDerWaalsContact C-N 3.26Å; L699-N701 PolarHBondContact O-N 3.37Å
700P33.7Very low41.7Very low125 Ų125131 Ų13181%0.81268%0.676SS**  trans-76.777177.333-35.1000110.2S702P700-S702 PolarHBondContact O-N 3.36Å; P700-S702 VanDerWaalsContact O-N 3.12Å
701N36.2Very low40.1Very low144 Ų144137.1 Ų137.177%0.7770%0.7SS**PPolyproline II helixtrans-61.8117.6177.3-80.6-13.7000110.3L699L699-N701 VanDerWaalsContact C-N 3.26Å; L699-N701 PolarHBondContact O-N 3.37Å
702S36.4Very low39.1Very low110 Ų110140.1 Ų140.177%0.76972%0.72SS**PPolyproline II helixtrans-57.5156.7179-167.80000111.7P700 D704P700-S702 PolarHBondContact O-N 3.36Å; P700-S702 VanDerWaalsContact O-N 3.12Å; S702-D704 PolarHBondContact O-N 3.04Å
703T32.7Very low37.7Very low113 Ų113142.4 Ų142.469%0.69374%0.736SS**PPolyproline II helixtrans-54.7123.7-179.252.20000112.8
704D33.8Very low36.7Very low138 Ų138141.6 Ų141.674%0.73874%0.739SS**  -148.2133.9123-147.4-17.1000112.6S702S702-D704 PolarHBondContact O-N 3.04Å
705S34Very low35.8Very low116 Ų116148 Ų14881%0.81176%0.764SS**  trans-108.480.4-175.6-169.80000109.6
706K36.9Very low35.3Very low172 Ų172147.3 Ų147.375%0.74877%0.77SS**  trans-154-0.1-177.7-110.7149.7-169.7173.60118.8
707Y33.2Very low34.5Very low213 Ų213146.7 Ų146.784%0.83578%0.776SS**  trans-116.32.6-173.6-91.4-83.1000117.2S709Y707-S709 PolarHBondContact O-N 2.9Å; Y707-S709 VanDerWaalsContact O-N 3.12Å
708Y34Very low33.7Very low241 Ų241151.3 Ų151.395%0.94579%0.788SS**THydrogen-bonded Turntrans-85.370.7173.7-91.6-87.9000112.6
709S33.5Very low33.3Very low123 Ų123152.4 Ų152.486%0.8679%0.789SS**THydrogen-bonded Turntrans-156.619.2172.4-750000115.2Y707Y707-S709 PolarHBondContact O-N 2.9Å; Y707-S709 VanDerWaalsContact O-N 3.12Å
710K33.8Very low33.4Very low189 Ų189152.7 Ų152.782%0.82280%0.795SS**SBendtrans-144.329.1-178.6-142.7174.2-176.1176.90116.9
711F31.5Very low33.4Very low201 Ų201152 Ų15288%0.88279%0.789SS**  trans-128.173.3172.1-100.8-86.6000110.7
712N31.4Very low33.5Very low161 Ų161155.6 Ų155.686%0.86179%0.791SS**SBendtrans-148.210.5168.5-147.515.5000114.1
713E32.1Very low33.8Very low182 Ų182155.1 Ų155.185%0.8579%0.786SS**  trans-127.769-176.9-68.4-174.8125.700110.7
714S32Very low34.6Very low97 Ų97155.4 Ų155.468%0.67879%0.79SS**  trans-157.536.7173.1-42.60000113.3S716S714-S716 PolarHBondContact O-N 3.41Å
715K31.2Very low35.1Very low224 Ų224154.9 Ų154.997%0.97479%0.791SS**  trans-75.292.3169.9-82.5-172.3175.4-178.70110
716S34Very low35.6Very low107 Ų107156.1 Ų156.175%0.74879%0.787SS**  trans-113.5119.1165.3580000109.8S714S714-S716 PolarHBondContact O-N 3.41Å
717S30Very low35.8Very low107 Ų107156.4 Ų156.475%0.74879%0.791SS**  trans-46132.7-171.8-171.60000115.1
718F32Very low36.2Very low199 Ų199154.3 Ų154.387%0.87379%0.793SS**  trans-118.7101.4156.1-134.3-86.1000107.6V720F718-V720 PolarHBondContact O-N 3.15Å
719H31.4Very low36.7Very low147 Ų147151.9 Ų151.968%0.68181%0.811SS**  trans-90.487.6-169.2-172.6-74.8000110.9T721H719-T721 PolarHBondContact O-N 3.29Å; H719-T721 VanDerWaalsContact O-N 3.13Å
720V36.8Very low36.9Very low98 Ų98153.3 Ų153.359%0.59481%0.809SS**  trans-75.499173.3-178.70000109.3F718 W722F718-V720 PolarHBondContact O-N 3.15Å; V720-W722 PolarHBondContact O-N 3.29Å
721T35.3Very low37Very low111 Ų111151.4 Ų151.468%0.68181%0.808SS**  trans-67.8106.7164.742.30000109.3H719H719-T721 PolarHBondContact O-N 3.29Å; H719-T721 VanDerWaalsContact O-N 3.13Å
722W37.6Very low37.4Very low219 Ų219148.7 Ų148.783%0.8380%0.804SS**PPolyproline II helixtrans-72.5144.3162.3-68.283.4000109.3V720V720-W722 PolarHBondContact O-N 3.29Å
723P41.9Very low37.7Very low100 Ų100147.9 Ų147.965%0.64980%0.801SS**PPolyproline II helixtrans-63.5149.5168.329.6-34.5000109.7V725P723-V725 PolarHBondContact O-N 3.2Å
724P49.4Very low38.1Very low119 Ų119145.8 Ų145.877%0.77380%0.798SS**PPolyproline II helixtrans-63.3126.9174.627.4-33.4000109.5I726P724-I726 PolarHBondContact O-N 3.13Å
725V44.5Very low38.5Very low126 Ų126149.1 Ų149.176%0.76481%0.806SS**PPolyproline II helixtrans-68.2119.5167.91770000107.2P723 E727P723-V725 PolarHBondContact O-N 3.2Å; V725-E727 HydrophobicContact CG1-CG 4.2Å; V725-E727 PolarHBondContact O-N 3.26Å; V725-E727 VanDerWaalsContact O-N 3.15Å
726I44.7Very low39Very low142 Ų142143.7 Ų143.773%0.72879%0.794SS**  trans-80.192171.2-57174000106.5P724 L728P724-I726 PolarHBondContact O-N 3.13Å; I726-L728 PolarHBondContact O-N 3.07Å
727E41.1Very low39.4Very low179 Ų179146.5 Ų146.584%0.83680%0.797SS**  trans-70.5120.6162.6-72-168.9135.400108.1V725V725-E727 HydrophobicContact CG1-CG 4.2Å; V725-E727 PolarHBondContact O-N 3.26Å; V725-E727 VanDerWaalsContact O-N 3.15Å
728L43.2Very low40.1Very low168 Ų168149.8 Ų149.888%0.8880%0.801SS**  trans-86.6115.6172.5-75.6163.1000108.5I726I726-L728 PolarHBondContact O-N 3.07Å
729S43.9Very low40.9Very low190 Ų190145.4 Ų145.4100%1.32980%0.795SS**  trans-1070164.263.80000109.6

Retrieved 729 of 729 residues in 110.7 ms (Link to these results)