A0A061HWS0_CRIGR Loading...

F-box only protein 34

AlphaFold DB , UniProt , Accession A0A061HWS0, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Fbxo46, Length 596 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
1M35.7Very low33.9Very low243 Ų243166.3 Ų166.3100%1.19786%0.856SS**  0104.20-77.5-178.217200107.9
2D26.5Very low33.2Very low152 Ų152172.8 Ų172.881%0.81386%0.862SS**  trans-68.7147.1-177.8-81.3-80.5000113.1
3R32.8Very low33Very low252 Ų252167.4 Ų167.495%0.95185%0.849SS**  trans-111.125.5-172.5-134.4175177.8-176.4-1.4112.5
4S35.3Very low32.8Very low100 Ų100163.9 Ų163.970%0.69984%0.844SS**  trans-103.4-3.3-162.7-52.10000114.6
5S36.4Very low32.6Very low117 Ų117168.4 Ų168.482%0.81885%0.845SS**  trans-108.466-172.8-57.90000113.2
6L37.6Very low32.7Very low165 Ų165165.4 Ų165.486%0.86484%0.841SS**  trans-136.9112.1161.6-74.2178.6000110.2
7L37.8Very low32.5Very low148 Ų148167.9 Ų167.978%0.77585%0.845SS**  trans-66.5150.3178-68.9164.7000111.8F9L7-F9 PolarHBondContact O-N 2.93Å; L7-F9 VanDerWaalsContact O-N 3.14Å
8P36.2Very low32.3Very low120 Ų120162.7 Ų162.778%0.77984%0.841SS**  trans-78.798.9179.631.5-33.8000111.6Q10P8-Q10 PolarHBondContact O-N 2.85Å
9F31.2Very low32.3Very low186 Ų186161.5 Ų161.582%0.81684%0.842SS**  trans-67.398.4165.7-70-80.2000110.3L7 L11L7-F9 PolarHBondContact O-N 2.93Å; L7-F9 VanDerWaalsContact O-N 3.14Å; F9-L11 VanDerWaalsContact C-N 3.33Å; F9-L11 PolarHBondContact O-N 3.03Å
10Q32.7Very low31.9Very low191 Ų191164.2 Ų164.289%0.89384%0.842SS**  trans-80.578.7-178.1-159.3170.417.300110.7P8 W12P8-Q10 PolarHBondContact O-N 2.85Å; Q10-W12 PolarHBondContact O-N 3.45Å; Q10-W12 VanDerWaalsContact O-N 3.1Å
11L30.2Very low31.8Very low155 Ų155161 Ų16181%0.81284%0.835SS**  trans-63109.1175-91.6155.8000111F9 C13F9-L11 VanDerWaalsContact C-N 3.33Å; F9-L11 PolarHBondContact O-N 3.03Å; L11-C13 PolarHBondContact O-N 3.35Å; L11-C13 VanDerWaalsContact O-N 3.14Å
12W26.3Very low31.7Very low244 Ų244157.4 Ų157.492%0.92482%0.815SS**  trans-67.2106.7179.4-158.5-30.2000110Q10Q10-W12 PolarHBondContact O-N 3.45Å; Q10-W12 VanDerWaalsContact O-N 3.1Å
13C30.6Very low31.8Very low103 Ų103157 Ų15770%0.69681%0.812SS**PPolyproline II helixtrans-88.5123.6171.5-650000109.4L11 R15L11-C13 PolarHBondContact O-N 3.35Å; L11-C13 VanDerWaalsContact O-N 3.14Å; C13-R15 PolarHBondContact O-N 3.37Å
14P30.1Very low31.6Very low119 Ų119154 Ų15477%0.77381%0.809SS**PPolyproline II helixtrans-66.7120.3165.8-6.120.9000108
15R30.2Very low31.2Very low231 Ų231158.3 Ų158.387%0.87282%0.819SS**PPolyproline II helixtrans-67.5130168.2-78-176.5176.8173.3-0.7108.4C13C13-R15 PolarHBondContact O-N 3.37Å
16P33.1Very low31Very low120 Ų120164.1 Ų164.178%0.77982%0.823SS**PPolyproline II helixtrans-62.1138.8159.428.2-32.3000108.5G18P16-G18 PolarHBondContact O-N 3.45Å
17F29.6Very low30.8Very low208 Ų208161.4 Ų161.491%0.91282%0.815SS**PPolyproline II helixtrans-58.4125.5-177.8-73-94.9000110.7T19F17-T19 PolarHBondContact O-N 3.15Å
18G29.3Very low30.6Very low74 Ų74160.5 Ų160.576%0.76382%0.818SS**PPolyproline II helixtrans-71.1126.7175.900000110.7P16 Y20P16-G18 PolarHBondContact O-N 3.45Å; G18-Y20 PolarHBondContact O-N 3.2Å
19T31.3Very low30.3Very low141 Ų141160.6 Ų160.687%0.86582%0.821SS**PPolyproline II helixtrans-61.3126.9168.346.60000109.9F17 S21F17-T19 PolarHBondContact O-N 3.15Å; T19-S21 PolarHBondContact O-N 3.26Å
20Y24.9Very low30.2Very low214 Ų214158.4 Ų158.484%0.83982%0.823SS**  trans-71.497.4-171.5-151.7-92000111G18 Q22G18-Y20 PolarHBondContact O-N 3.2Å; Y20-Q22 HydrophobicContact CD1-CG 4.33Å; Y20-Q22 PolarHBondContact O-N 3.22Å
21S31Very low30.2Very low99 Ų99153.8 Ų153.869%0.69282%0.818SS**  trans-78.3108.1169-177.90000108.9T19 N23T19-S21 PolarHBondContact O-N 3.26Å; S21-N23 PolarHBondContact O-N 3.45Å; S21-N23 VanDerWaalsContact O-N 3.13Å
22Q31.9Very low30.1Very low166 Ų166155 Ų15578%0.77682%0.824SS**  trans-65.2110.7171-72.4-174.51.800109.7Y20Y20-Q22 HydrophobicContact CD1-CG 4.33Å; Y20-Q22 PolarHBondContact O-N 3.22Å
23N28.8Very low30.3Very low143 Ų143152.2 Ų152.277%0.76582%0.819SS**  trans-127.6104.1159-97.1-59.9000107.5S21 Q25S21-N23 PolarHBondContact O-N 3.45Å; S21-N23 VanDerWaalsContact O-N 3.13Å; N23-Q25 PolarHBondContact O-N 3.41Å
24Q29.6Very low30.4Very low190 Ų190152.8 Ų152.889%0.88882%0.821SS**PPolyproline II helixtrans-68.6125.5171.9-76.7-176.9-700109.5
25Q27.4Very low30.5Very low191 Ų191153.2 Ų153.289%0.89382%0.824SS**PPolyproline II helixtrans-78120.6168.9-67.3176.2-31.800109.1N23N23-Q25 PolarHBondContact O-N 3.41Å
26R30.4Very low30.4Very low239 Ų239146.7 Ų146.790%0.90282%0.819SS**PPolyproline II helixtrans-80.7139.2161.1-84.4-172.8178179.50.4109.6
27P34.7Very low30.1Very low108 Ų108147 Ų14770%0.70182%0.822SS**PPolyproline II helixtrans-73.3160.8173.931.4-34.7000111.7
28P33Very low30Very low129 Ų129142.7 Ų142.784%0.83882%0.819SS**PPolyproline II helixtrans-80.1142.9-175.932.6-34.8000112.3
29S29.6Very low30Very low122 Ų122146.3 Ų146.385%0.85382%0.821SS**  trans-123.1120.8166.3-59.40000109.4
30T30.3Very low29.8Very low139 Ų139146.7 Ų146.785%0.85382%0.823SS**  trans-74.9139.4-17939.30000112.5
31A30.9Very low30Very low94 Ų94142.1 Ų142.178%0.77782%0.822SS**  trans50.5123.8149.700000119.6
32L30.1Very low29.8Very low181 Ų181141.3 Ų141.395%0.94883%0.829SS**  -156.1155.9128-105.6164.4000110.3
33K30.4Very low29.5Very low186 Ų186137 Ų13781%0.80983%0.83SS**PPolyproline II helixtrans-101.4144.9-164.3-176.2-180179.9-178.10110.3
34P31.3Very low29.6Very low115 Ų115137.1 Ų137.175%0.74784%0.836SS**PPolyproline II helixtrans-76.2140.8177.531.2-34.2000111.6
35P33.8Very low29.6Very low128 Ų128136.3 Ų136.383%0.83183%0.832SS**PPolyproline II helixtrans-86.3160.1166.135.1-32.4000111.6
36A26.2Very low30.5Very low94 Ų94131.9 Ų131.978%0.77782%0.82SS**PPolyproline II helixtrans-103.5155.6-178.700000112.9
37C27.3Very low30.4Very low125 Ų125126.5 Ų126.585%0.84581%0.809SS**  trans18.3134.4155.2-50.40000121.4
38S28.9Very low30.3Very low119 Ų119129.2 Ų129.283%0.83281%0.812SS**  -153.1141.2120.830.90000113.9
39D27.4Very low30Very low150 Ų150126.5 Ų126.580%0.80281%0.808SS**  trans-45.1151.2-178.8-47.5-73.2000118.9
40T28.5Very low30.5Very low148 Ų148127 Ų12791%0.90881%0.808SS**  -143.1125.1129.5-41.90000110.1
41S28.8Very low30.4Very low118 Ų118124.5 Ų124.583%0.82580%0.801SS**  trans-94.6146.7173.954.10000111.9
42G27.3Very low30.1Very low82 Ų82129 Ų12985%0.84581%0.806SS**  trans176.286.1175.200000110.3
43G25.7Very low30.1Very low76 Ų76124.4 Ų124.478%0.78479%0.789SS**  trans-101.9150.3-174.400000113.5
44T30.5Very low29.8Very low146 Ų146123.2 Ų123.290%0.89679%0.786SS**  trans-148.1118.5149.6-47.10000108
45E29.9Very low29.6Very low172 Ų172124.6 Ų124.680%0.80479%0.787SS**  trans-82.7175.7169.5-91.2-8295.600110.6
46P44.9Very low29.4Very low98 Ų98124.7 Ų124.764%0.63679%0.786SS**  cis-128.7-174.2-10.832.1-11.4000112.4
47D28.7Very low30Very low127 Ų127125.4 Ų125.468%0.67978%0.783SS**  161.6151.2101-151.83.8000114.5
48H33Very low30.3Very low164 Ų164125.6 Ų125.676%0.75978%0.782SS**  trans64.998.1174.7-64.780.3000119.4
49G26.8Very low30.1Very low73 Ų73124.1 Ų124.175%0.75378%0.778SS**  trans-85.5-153.5153.200000112.4
50P39.8Very low30.1Very low133 Ų133125.3 Ų125.386%0.86478%0.783SS**  cis-125.2178.82.241.2-26.4000114.8
51A27.8Very low30Very low85 Ų85123.3 Ų123.370%0.70278%0.781SS**  trans-84166.8174.300000113.9
52Q25.7Very low30Very low190 Ų190122.7 Ų122.789%0.88878%0.777SS**  trans144.5161.2152.6-85169.283.400108.9
53S28.9Very low30Very low84 Ų84126.6 Ų126.659%0.58778%0.779SS**  cis169.6167.6-13.5177.50000103.8
54E25.6Very low30Very low161 Ų161129.1 Ų129.175%0.75278%0.779SS**  trans62.6116.6169-95.8141106.600117.9
55N26Very low30.1Very low143 Ų143128.4 Ų128.477%0.76578%0.776SS**  71.8116.167.7-82.3-48.9000116.2
56T29.1Very low29.8Very low130 Ų130124.5 Ų124.580%0.79877%0.774SS**  trans87.2139.1146.6-49.20000117
57P39.8Very low28.9Very low110 Ų110124.6 Ų124.671%0.71478%0.777SS**  trans-108.6177.1-159.542.6-36.1000114.3
58P32.9Very low28.9Very low128 Ų128126.1 Ų126.183%0.83178%0.78SS**  trans-110.3167.2156.436.3-26.1000113.1
59A24.8Very low28.5Very low89 Ų89126.8 Ų126.874%0.73678%0.783SS**  trans-119.5170.4-174.600000112.8
60L28Very low28.6Very low175 Ų175127.8 Ų127.892%0.91678%0.784SS**  trans64111.3159.5-70161.2000118.6
61A25.9Very low28.1Very low106 Ų106127 Ų12788%0.87678%0.779SS**  trans-142.8131.8131.800000109
62S28.3Very low27.9Very low104 Ų104130.8 Ų130.873%0.72779%0.786SS**  trans-86.1139.4171.7500000110.2
63D27.1Very low28.1Very low165 Ų165130.1 Ų130.188%0.88279%0.788SS**  trans-154.3142.7148.5-102-35.1000111.4
64T27.2Very low27.9Very low129 Ų129131.9 Ų131.979%0.79180%0.8SS**  trans-133.5141.1168.8-11.10000106.6
65P32.6Very low28Very low130 Ų130129.5 Ų129.584%0.84480%0.801SS**  -142.4176.310032.3-14.7000114.5
66A23.6Very low28Very low91 Ų91127.4 Ų127.475%0.75280%0.804SS**  trans-83156.3-164.900000115.6
67S25.4Very low28.2Very low100 Ų100126.1 Ų126.170%0.69981%0.807SS**  -167.6132.9119.2-86.60000114.4
68Q27.7Very low27.8Very low158 Ų158125.8 Ų125.874%0.73881%0.813SS**  trans52.4113141-55.7176.79.800119.6
69H25.3Very low27.7Very low179 Ų179123.6 Ų123.683%0.82981%0.814SS**  178124.6106-95.6-74.2000110.8
70A28.7Very low28Very low94 Ų94124.9 Ų124.978%0.77781%0.808SS**  trans-89.5152.6162.200000109.7
71P28.7Very low28.1Very low116 Ų116126 Ų12675%0.75381%0.809SS**  trans-137.9125130.132.2-18000114.1
72L24.7Very low28.7Very low164 Ų164124.2 Ų124.286%0.85980%0.801SS**  41.5125.3127.9-61.1172.1000120.7
73L29Very low29Very low177 Ų177129.1 Ų129.193%0.92780%0.804SS**  trans-40.1139146.5-67.7157.2000111.9
74S25.1Very low29.5Very low120 Ų120126.1 Ų126.184%0.83979%0.791SS**  trans-141.4134.5157.5-153.80000111.6
75S28.8Very low29.9Very low111 Ų111127.4 Ų127.478%0.77679%0.792SS**  trans-72.1136.9176171.50000110.6
76A24.8Very low30Very low100 Ų100126.5 Ų126.583%0.82678%0.78SS**  trans-148.479.5164.200000110.8A78A76-A78 PolarHBondContact O-N 3.12Å
77A34.7Very low30.7Very low102 Ų102128 Ų12884%0.84378%0.775SS**  trans-82.1102.4159.700000109.2
78A30.9Very low31.3Very low103 Ų103126.7 Ų126.785%0.85176%0.763SS**  trans-165.7122.1164.600000109.5A76A76-A78 PolarHBondContact O-N 3.12Å
79G29.3Very low31.8Very low82 Ų82129.1 Ų129.185%0.84577%0.766SS**  trans137.621.717100000119.3
80D31.6Very low32.6Very low117 Ų117128.7 Ų128.763%0.62676%0.758SS**  trans-125.965.8163.4-162.8-125.6000110.7R83D80-R83 IonicContact OD2-CZ 2.65Å; D80-R83 IonicContact OD2-NE 2.7Å; D80-R83 IonicContact OD2-NH2 3.58Å; D80-R83 PolarHBondContact OD2-NH2 3.04Å
81E30.7Very low33.1Very low197 Ų197130.4 Ų130.492%0.92176%0.759SS**  trans-98139.9164.3-76.3-153130.600110.7
82G39.1Very low33.9Very low70 Ų70131.3 Ų131.372%0.72276%0.756SS**  trans107.94.5157.600000118.1V84G82-V84 VanDerWaalsContact C-N 3.35Å; G82-V84 PolarHBondContact O-N 3.35Å; G82-V84 VanDerWaalsContact O-N 3.14Å
83R33.8Very low34.7Very low207 Ų207132.1 Ų132.178%0.78175%0.752SS**  trans-84.677.9167.3-82-174.4-84.1-127-0.3111.5D80 L85D80-R83 IonicContact OD2-CZ 2.65Å; D80-R83 IonicContact OD2-NE 2.7Å; D80-R83 IonicContact OD2-NH2 3.58Å; D80-R83 PolarHBondContact OD2-NH2 3.04Å; R83-L85 PolarHBondContact O-N 3.12Å
84V37.2Very low35.1Very low102 Ų102129.8 Ų129.862%0.61875%0.748SS**  trans-59117.1170.3179.70000109.5G82 L86G82-V84 VanDerWaalsContact C-N 3.35Å; G82-V84 PolarHBondContact O-N 3.35Å; G82-V84 VanDerWaalsContact O-N 3.14Å; V84-L86 HydrophobicContact CG1-CG 4.44Å; V84-L86 PolarHBondContact O-N 3.41Å
85L37.1Very low36Very low155 Ų155128 Ų12881%0.81275%0.748SS**  trans-69100.2168.8-91.1158.6000109R83 D87R83-L85 PolarHBondContact O-N 3.12Å; L85-D87 PolarHBondContact O-N 3.46Å; L85-D87 VanDerWaalsContact O-N 3.16Å
86L34.6Very low36.5Very low112 Ų112128.8 Ų128.859%0.58674%0.744SS**  trans-80.585.3174.8-74.4163.7000110.1V84 T88V84-L86 HydrophobicContact CG1-CG 4.44Å; V84-L86 PolarHBondContact O-N 3.41Å; L86-T88 VanDerWaalsContact C-N 3.25Å; L86-T88 PolarHBondContact O-N 3.11Å; L86-T88 PolarHBondContact O-OG1 3.01Å; L86-T88 VanDerWaalsContact O-OG1 3.13Å
87D38.7Very low37.6Very low121 Ų121130.9 Ų130.965%0.64775%0.747SS**  trans-64.185170.4-81.2-10.5000110.5L85 W89L85-D87 PolarHBondContact O-N 3.46Å; L85-D87 VanDerWaalsContact O-N 3.16Å; D87-W89 VanDerWaalsContact O-CD1 3.29Å
88T37.4Very low38.2Very low73 Ų73135 Ų13545%0.44875%0.745SS.*  trans-90.8109.2-176.5-54.70000109.8L86 Y90L86-T88 VanDerWaalsContact C-N 3.25Å; L86-T88 PolarHBondContact O-N 3.11Å; L86-T88 PolarHBondContact O-OG1 3.01Å; L86-T88 VanDerWaalsContact O-OG1 3.13Å; T88-Y90 HydrophobicContact CG2-CE1 4.3Å; T88-Y90 HydrophobicContact CG2-CE2 4.13Å
89W38.3Very low39Very low210 Ų210137.8 Ų137.880%0.79574%0.741SS**  trans-103.1129.1179.1-64.984.9000111.5D87D87-W89 VanDerWaalsContact O-CD1 3.29Å
90Y41.7Very low39.6Very low169 Ų169143.8 Ų143.866%0.66374%0.743SS**  trans-100.5122.4176.8-57.9-84.3000110.6T88T88-Y90 HydrophobicContact CG2-CE1 4.3Å; T88-Y90 HydrophobicContact CG2-CE2 4.13Å
91V39Very low40.4Very low131 Ų131142.2 Ų142.279%0.79474%0.738SS**  trans-109.691.5172.1-1770000109.1
92I45.3Very low40.8Very low134 Ų134135.8 Ų135.869%0.68772%0.719SS**  trans-87.1110.9173.6-56.4176.1000108
93K40.9Very low40.6Very low181 Ų181140 Ų14079%0.78772%0.718SS**  trans-80.9119.8168-73.7-174.7176.4-179.20108.9G95K93-G95 PolarHBondContact O-N 3.1Å
94P37.8Very low40.9Very low129 Ų129138.8 Ų138.884%0.83872%0.718SS**THydrogen-bonded Turntrans-66.7128.217327.9-32.6000109.4
95G45.5Very low40.9Very low82 Ų82138.2 Ų138.285%0.84572%0.715SS**THydrogen-bonded Turntrans12117.9168.200000118.7K93K93-G95 PolarHBondContact O-N 3.1Å
96N38.2Very low40.8Very low128 Ų128135 Ų13568%0.68471%0.71SS**  trans-149.5123166.7-153.2-24.2000113.1K98N96-K98 PolarHBondContact O-N 3.39Å
97T47.3Very low40.9Very low144 Ų144137.9 Ų137.988%0.88372%0.72SS**SBendtrans-80.529.8-168.848.40000114.9
98K49.1Very low40.8Very low188 Ų188141.5 Ų141.582%0.81773%0.733SS**SBendtrans-138.181.3170.6-72.3-173.4180175.50109.6N96 K100N96-K98 PolarHBondContact O-N 3.39Å; K98-K100 PolarHBondContact O-N 3.06Å
99E46.2Very low40.7Very low161 Ų161143.8 Ų143.875%0.75275%0.751SS**  trans-63.3123.2-179.2-63.6171.2-17100111
100K42Very low40.5Very low208 Ų208137.1 Ų137.190%0.90475%0.748SS**  trans-107111.4165.3-74.2-170.4176.6-174.10108.3K98K98-K100 PolarHBondContact O-N 3.06Å
101V47.8Very low40.5Very low84 Ų84133.3 Ų133.351%0.50976%0.76SS.*  trans-84.5129.2173.4-176.70000108.8F103V101-F103 HydrophobicContact CB-CE2 4.38Å; V101-F103 HydrophobicContact CB-CZ 4.45Å; V101-F103 HydrophobicContact CG1-CE1 4.12Å; V101-F103 HydrophobicContact CG1-CE2 3.98Å; V101-F103 HydrophobicContact CG1-CZ 3.76Å
102A40.1Very low40.6Very low63 Ų63130.8 Ų130.852%0.52176%0.76SS.*  trans-104.6135.4170.800000109.3F104A102-F104 HydrophobicContact CB-CE2 3.96Å; A102-F104 HydrophobicContact CB-CZ 4.25Å
103F34.8Very low40.2Very low159 Ų159130.3 Ų130.370%0.69777%0.769SS**  trans-107.9127.8176.3-59.9-87.2000108.8V101V101-F103 HydrophobicContact CB-CE2 4.38Å; V101-F103 HydrophobicContact CB-CZ 4.45Å; V101-F103 HydrophobicContact CG1-CE1 4.12Å; V101-F103 HydrophobicContact CG1-CE2 3.98Å; V101-F103 HydrophobicContact CG1-CZ 3.76Å
104F40.9Very low40.1Very low180 Ų180132.9 Ų132.979%0.78977%0.773SS**  trans-111128.6173.8-62.3-83.5000108.4A102A102-F104 HydrophobicContact CB-CE2 3.96Å; A102-F104 HydrophobicContact CB-CZ 4.25Å
105V36.2Very low40.1Very low91 Ų91132 Ų13255%0.55278%0.777SS**  trans-119.4111.7179.8-179.30000107.9
106A35.9Very low39.7Very low87 Ų87132.6 Ų132.672%0.71977%0.768SS**  trans-88.3108.2171.400000109.3Q108A106-Q108 PolarHBondContact O-N 3.36Å
107H36.4Very low39.5Very low172 Ų172132.2 Ų132.280%0.79678%0.775SS**  trans-78.6110.6168.1-86.1-90.2000109.6C109H107-C109 PolarHBondContact O-N 3.42Å
108Q37.2Very low38.9Very low197 Ų197132.8 Ų132.892%0.92177%0.77SS**  trans-73105.3161.8-67.9-166.854.700108.2A106A106-Q108 PolarHBondContact O-N 3.36Å
109C33.9Very low38.2Very low122 Ų122133.1 Ų133.182%0.82477%0.771SS**  trans-93.1104175.7-1640000109H107 G111H107-C109 PolarHBondContact O-N 3.42Å; C109-G111 PolarHBondContact O-N 3.05Å
110G33.8Very low37.6Very low70 Ų70131.8 Ų131.872%0.72277%0.774SS**  trans-64.3127.2169.300000109.9G112G110-G112 PolarHBondContact O-N 3.42Å
111G43Very low37.3Very low89 Ų89131.3 Ų131.392%0.91877%0.772SS**SBendtrans-68.5116.4-17600000112.2C109C109-G111 PolarHBondContact O-N 3.05Å
112G39.6Very low36.5Very low77 Ų77129.4 Ų129.479%0.79477%0.77SS**  trans139.955164.600000118.5G110G110-G112 PolarHBondContact O-N 3.42Å
113S37.6Very low36Very low124 Ų124134 Ų13487%0.86778%0.78SS**SBendtrans-165.5167.6140.3-156.50000111.9
114R38.9Very low36.2Very low235 Ų235138.4 Ų138.489%0.88779%0.792SS**  trans-64.3140.3-170.6-65.6176.6176.5172.9-1.7112.7S116R114-S116 PolarHBondContact O-N 3.02Å; R114-S116 VanDerWaalsContact O-N 3.14Å
115A37.8Very low35.7Very low110 Ų110131.8 Ų131.891%0.90978%0.775SS**  trans-61.5113174.800000111.7
116S36.5Very low35.7Very low95 Ų95133 Ų13366%0.66479%0.787SS**  trans-101.8103.3168.6-174.20000109.4R114 M118R114-S116 PolarHBondContact O-N 3.02Å; R114-S116 VanDerWaalsContact O-N 3.14Å; S116-M118 VanDerWaalsContact C-N 3.29Å; S116-M118 PolarHBondContact O-N 3.37Å; S116-M118 WeakPolarHBondContact OG-CG 3.21Å
117S35.2Very low35.3Very low120 Ų120136.8 Ų136.884%0.83980%0.795SS**  trans-76.781175.1-171.60000110.2K119S117-K119 PolarHBondContact O-N 2.93Å; S117-K119 VanDerWaalsContact O-N 3.11Å
118M33.8Very low35.4Very low156 Ų156134.1 Ų134.177%0.76880%0.796SS**  trans-78.394.4175.4-61-169.47900109.7S116 V120S116-M118 VanDerWaalsContact C-N 3.29Å; S116-M118 PolarHBondContact O-N 3.37Å; S116-M118 WeakPolarHBondContact OG-CG 3.21Å; M118-V120 PolarHBondContact O-N 2.77Å
119K33.9Very low35.3Very low195 Ų195130.1 Ų130.185%0.84879%0.79SS**  trans-67.786.6178.6-169.4173.9-173.1171.30110.9S117 K121S117-K119 PolarHBondContact O-N 2.93Å; S117-K119 VanDerWaalsContact O-N 3.11Å; K119-K121 PolarHBondContact O-N 3.26Å
120V33.5Very low35.1Very low134 Ų134133.6 Ų133.681%0.81279%0.791SS**  trans-63.799.8173.7-1800000109.1M118 G122M118-V120 PolarHBondContact O-N 2.77Å; V120-G122 PolarHBondContact O-N 3.41Å
121K37Very low35Very low197 Ų197135.3 Ų135.386%0.85780%0.798SS**  trans-71.472172.2-18080.6174.6-173.50109.2K119 H123K119-K121 PolarHBondContact O-N 3.26Å; K121-H123 PolarHBondContact O-N 3.02Å; K121-H123 VanDerWaalsContact O-N 3.17Å
122G31Very low34.3Very low45 Ų45140.4 Ų140.446%0.46480%0.795SS.*  trans-66.3108.5169.200000110V120 W124V120-G122 PolarHBondContact O-N 3.41Å; G122-W124 PolarHBondContact O-N 3.42Å
123H29Very low34.2Very low159 Ų159147.3 Ų147.374%0.73680%0.797SS**  trans-71.790.3172.7172.8-84.5000109.8K121 G125K121-H123 PolarHBondContact O-N 3.02Å; K121-H123 VanDerWaalsContact O-N 3.17Å; H123-G125 VanDerWaalsContact C-N 3.26Å; H123-G125 PolarHBondContact O-N 2.92Å
124W39.6Very low34.2Very low251 Ų251151.5 Ų151.595%0.95179%0.794SS**  trans-93.260.3165.4-68.2107.2000110G122G122-W124 PolarHBondContact O-N 3.42Å
125G30.8Very low33.9Very low41 Ų41150.6 Ų150.642%0.42379%0.791SS.*  trans-88129.9170.600000110.9H123H123-G125 VanDerWaalsContact C-N 3.26Å; H123-G125 PolarHBondContact O-N 2.92Å
126S35.6Very low33.9Very low116 Ų116157.1 Ų157.181%0.81179%0.792SS**  trans-42.9127.3-176.9-53.40000116.9
127D27.9Very low33.5Very low167 Ų167158.4 Ų158.489%0.89380%0.8SS**  trans-140.381.1152.4-112.2-32.8000110.6S129D127-S129 PolarHBondContact O-N 3.14Å
128S38.8Very low33.3Very low116 Ų116160.1 Ų160.181%0.81180%0.799SS**  trans-87.979.6-174.9520000112.8K130S128-K130 PolarHBondContact O-N 3.43Å
129S33.3Very low33.2Very low114 Ų114160.4 Ų160.480%0.79780%0.798SS**  trans-93.984.6-177.7-148.50000114.8D127D127-S129 PolarHBondContact O-N 3.14Å
130K30.4Very low33.3Very low194 Ų194155.8 Ų155.884%0.84379%0.788SS**  trans3797.8150.8-69.3169.4-179.3160.30119.3S128S128-K130 PolarHBondContact O-N 3.43Å
131A32.2Very low33.1Very low106 Ų106155.6 Ų155.688%0.87679%0.787SS**  trans-64.5132.5158.600000112.2R133A131-R133 PolarHBondContact O-N 3.05Å
132K28.3Very low32.7Very low196 Ų196156 Ų15685%0.85279%0.789SS**  trans-88.3102.9-171.8-169.6161.7-176.6168.90113.3
133R36.3Very low32.7Very low222 Ų222157.9 Ų157.984%0.83880%0.801SS**  trans-80.8114.1174.2179.7-172.9-173.8-113.45.3113A131A131-R133 PolarHBondContact O-N 3.05Å
134R38.2Very low33.2Very low213 Ų213156 Ų15680%0.80480%0.803SS**  trans-157.7145.5152.9-68.8-165.5175.2-154-1.5109.3
135R32.9Very low33.3Very low216 Ų216150.1 Ų150.182%0.81580%0.797SS**  cis-161.5145.5-27.4-110.1-174.6-170.9-109.15.6104.9
136R38.7Very low33.3Very low246 Ų246154.5 Ų154.593%0.92881%0.81SS**  trans-88.4147.6165.6-73.9-170.9-177.4-154.91.5110.5
137C28.3Very low33.5Very low122 Ų122155 Ų15582%0.82481%0.811SS**  trans155.8150.1163.6-85.60000107.1
138L30.8Very low33.5Very low156 Ų156150.2 Ų150.282%0.81780%0.801SS**  cis-157.7171.9-9.2-116.1169.6000109.6
139E29.9Very low33Very low162 Ų162148.2 Ų148.276%0.75780%0.798SS**  trans-136.6164.8169.9-89.8-74.1162.400106.7
140P37.8Very low33Very low99 Ų99154.8 Ų154.864%0.64381%0.806SS**  cis-137.2-171.7-3.140.5-21.3000115.9
141T27.8Very low32.9Very low129 Ų129149.7 Ų149.779%0.79181%0.809SS**  trans77.4116.9150.8-59.60000121.6
142K28.3Very low32.6Very low205 Ų205148.6 Ų148.689%0.89181%0.808SS**  -167.5140.1127-114.5-174.5-179.5-173.30114.3
143A32.2Very low32.8Very low86 Ų86144 Ų14471%0.71181%0.806SS**  trans-124.4-16916300000107.3
144P38.7Very low33Very low120 Ų120139.3 Ų139.378%0.77981%0.805SS**  cis-103.6-121.8-7.329.8-7.3000110.3
145P41.2Very low32.7Very low127 Ų127133.2 Ų133.283%0.82580%0.799SS**  cis-101.4-178.714.541.9-37.9000115.4
146D31.9Very low32.7Very low133 Ų133128.7 Ų128.771%0.71180%0.796SS**  trans-145.2143.3170.9170.247.1000108
147P40.1Very low32.4Very low126 Ų126125.9 Ų125.982%0.81879%0.794SS**  trans-107.583.9169.836.1-25.8000111.8
148G28.4Very low32.5Very low66 Ų66123.6 Ų123.668%0.6879%0.791SS**  trans-69.1-169.6-172.400000119.1
149G28.4Very low32.7Very low74 Ų74121 Ų12176%0.76379%0.791SS**  trans164.299.7168.200000117.4
150R31.8Very low33.3Very low252 Ų252118.3 Ų118.395%0.95179%0.788SS**  trans58118.7151.6-75.6178.3169.2-103.8-1.2120.1
151G28.2Very low33Very low88 Ų88119.6 Ų119.691%0.90779%0.794SS**  trans-69.9174175.200000117.6
152G26.9Very low33.1Very low83 Ų83120.3 Ų120.386%0.85680%0.798SS**  trans165117.3175.100000109.7
153A32.2Very low33.4Very low99 Ų99115.5 Ų115.582%0.81879%0.791SS**  trans-98.3149.9158.800000107
154P40.8Very low33.4Very low124 Ų124115 Ų11581%0.80579%0.794SS**  -147.4-174.375.438.1-18.2000115.4
155A32Very low33.3Very low84 Ų84116.4 Ų116.469%0.69480%0.795SS**  trans6155.1156.100000121
156T31.4Very low33.5Very low122 Ų122117.4 Ų117.475%0.74879%0.794SS**  cis-169.6152.139.1-15.50000110.9
157E33.9Very low34.3Very low187 Ų187116.6 Ų116.687%0.87479%0.793SS**  trans51.8134.3149.7-59.2-72.998.500121.5
158G30Very low35.4Very low74 Ų74117 Ų11776%0.76379%0.788SS**  trans-175.9-18.217500000120.2
159A34.6Very low37.2Very low100 Ų100121.3 Ų121.383%0.82680%0.795SS**  trans60.6-176.3168.900000115.9
160P42.9Very low39.5Very low106 Ų106122.2 Ų122.269%0.68878%0.782SS**  -129.3167.7-114.232-9.7000117.5
161T30.7Very low41.9Very low126 Ų126113.2 Ų113.277%0.77376%0.758SS**  trans51.3110.8150.852.90000119.8
162T30.9Very low44.2Very low144 Ų144114.4 Ų114.488%0.88375%0.747SS**  -134.8120108.536.70000108.8
163S33.2Very low46.7Very low104 Ų104113.8 Ų113.873%0.72773%0.734SS**  trans-68.9126.5166.443.80000108.2D165S163-D165 PolarHBondContact O-N 3.36Å
164G32.3Very low49.3Very low76 Ų76113.9 Ų113.978%0.78472%0.717SS**  trans-65.6123.3161.100000107.9D166G164-D166 PolarHBondContact O-N 3.11Å; G164-D166 VanDerWaalsContact O-N 3.08Å
165D37.3Very low51.6Low150 Ų150113.4 Ų113.480%0.80271%0.706SS**  trans-54.3115170-76.4-75.2000108.9S163 V167S163-D165 PolarHBondContact O-N 3.36Å; D165-V167 PolarHBondContact O-N 3.21Å; D165-V167 VanDerWaalsContact O-N 3.12Å
166D45.3Very low54.2Low148 Ų148112.9 Ų112.979%0.79169%0.694SS**  trans-63.5111.8163.5-156.7-83.9000105.7G164 D168G164-D166 PolarHBondContact O-N 3.11Å; G164-D166 VanDerWaalsContact O-N 3.08Å; D166-D168 PolarHBondContact O-N 3.27Å
167V49.5Very low56.9Low116 Ų116109.4 Ų109.470%0.70368%0.677SS**  trans-72.989.6-175.5-179.90000107.4D165 L169D165-V167 PolarHBondContact O-N 3.21Å; D165-V167 VanDerWaalsContact O-N 3.12Å; V167-L169 WeakPolarHBondContact O-CG 3.35Å; V167-L169 PolarHBondContact O-N 2.94Å
168D63.1Low59.4Low134 Ų134103.5 Ų103.572%0.71765%0.652SS**  trans-47.8108.1-170.4-156.42.3000110.5D166 L170D166-D168 PolarHBondContact O-N 3.27Å; D168-L170 VanDerWaalsContact C-N 3.26Å; D168-L170 PolarHBondContact O-N 2.58Å
169L66.4Low62.4Low157 Ų157104.5 Ų104.582%0.82264%0.642SS**  trans-79.278.3-168.8-69.8178.6000109.4V167 S171V167-L169 WeakPolarHBondContact O-CG 3.35Å; V167-L169 PolarHBondContact O-N 2.94Å; L169-S171 PolarHBondContact O-N 3.49Å
170L75.9Confident65Low92 Ų92105.9 Ų105.948%0.48263%0.632SS.*  trans-39.5123.3-179.4-67.7176.5000111.8D168 L178D168-L170 VanDerWaalsContact C-N 3.26Å; D168-L170 PolarHBondContact O-N 2.58Å; L170-L178 HydrophobicContact CD1-CD1 4.13Å
171S83.4Confident67Low64 Ų64106.4 Ų106.445%0.44863%0.625SS.*  trans-60.2151.4179.1-1800000110.7L169 A173 E174 M175L169-S171 PolarHBondContact O-N 3.49Å; S171-A173 PolarHBondContact O-N 3.48Å; S171-A173 VanDerWaalsContact O-N 3.11Å; S171-E174 WeakPolarHBondContact CB-OE2 3.38Å; S171-E174 PolarHBondContact N-OE2 3.35Å; S171-E174 PolarHBondContact O-N 3.33Å; S171-M175 PolarHBondContact O-N 3.26Å
172V75.8Confident69.5Low113 Ų113109 Ų10969%0.68562%0.621SS**Hα-helixtrans-54.5-34175.4179.70000111.1V176V172-V176 WeakPolarHBondContact O-CG2 3.36Å; V172-V176 PolarHBondContact O-N 3.47Å
173A78.6Confident72Confident70 Ų70104.5 Ų104.558%0.57960%0.598SS**Hα-helixtrans-64.8-41.5175.200000112.9S171 V176 A177S171-A173 PolarHBondContact O-N 3.48Å; S171-A173 VanDerWaalsContact O-N 3.11Å; A173-V176 PolarHBondContact O-N 3.03Å; A173-A177 WeakPolarHBondContact O-CB 3.45Å; A173-A177 PolarHBondContact O-N 3.01Å
174E87Confident74.2Confident100 Ų100101.8 Ų101.847%0.46758%0.582SS.*Hα-helixtrans-71.9-37.1178.9-63.5170132.900111.2S171 A177 L178S171-E174 WeakPolarHBondContact CB-OE2 3.38Å; S171-E174 PolarHBondContact N-OE2 3.35Å; S171-E174 PolarHBondContact O-N 3.33Å; E174-A177 PolarHBondContact O-N 3.35Å; E174-L178 WeakPolarHBondContact O-CB 3.41Å; E174-L178 WeakPolarHBondContact O-CG 3.47Å; E174-L178 PolarHBondContact O-N 3.44Å
175M89.1Confident76.4Confident114 Ų114103 Ų10356%0.56257%0.57SS**Hα-helixtrans-62.2-42.7173.8-165.3-173.7-54.800111.7S171 V179S171-M175 PolarHBondContact O-N 3.26Å; M175-V179 WeakPolarHBondContact O-CG2 3.36Å; M175-V179 PolarHBondContact O-N 2.87Å; M175-V179 VanDerWaalsContact O-N 3.15Å
176V87.9Confident78.1Confident73 Ų7398.1 Ų98.144%0.44255%0.551SS.*Hα-helixtrans-65.4-47.1174.1171.60000110.7V172 A173 L178 V179 E180V172-V176 WeakPolarHBondContact O-CG2 3.36Å; V172-V176 PolarHBondContact O-N 3.47Å; A173-V176 PolarHBondContact O-N 3.03Å; V176-L178 VanDerWaalsContact C-N 3.31Å; V176-L178 PolarHBondContact O-N 3.04Å; V176-V179 PolarHBondContact O-N 2.92Å; V176-E180 HydrophobicContact CG1-CG 4.3Å; V176-E180 PolarHBondContact O-N 3.26Å
177A88.2Confident79.3Confident49 Ų4997.7 Ų97.741%0.40555%0.548SS..Hα-helixtrans-57.8-41.5178.100000112.6A173 E174 E180 Q181A173-A177 WeakPolarHBondContact O-CB 3.45Å; A173-A177 PolarHBondContact O-N 3.01Å; E174-A177 PolarHBondContact O-N 3.35Å; A177-E180 PolarHBondContact O-N 3Å; A177-Q181 VanDerWaalsContact O-CB 3.22Å; A177-Q181 WeakPolarHBondContact O-CB 3.25Å; A177-Q181 PolarHBondContact O-N 3.32Å
178L86.2Confident80.1Confident64 Ų6499.4 Ų99.434%0.33555%0.548SS..Hα-helixtrans-66.9-33.3175.7-76168.1000113.1L170 E174 V176 R182L170-L178 HydrophobicContact CD1-CD1 4.13Å; E174-L178 WeakPolarHBondContact O-CB 3.41Å; E174-L178 WeakPolarHBondContact O-CG 3.47Å; E174-L178 PolarHBondContact O-N 3.44Å; V176-L178 VanDerWaalsContact C-N 3.31Å; V176-L178 PolarHBondContact O-N 3.04Å; L178-R182 WeakPolarHBondContact O-CB 3.39Å; L178-R182 VanDerWaalsContact O-CG 3.24Å; L178-R182 WeakPolarHBondContact O-CG 3.38Å; L178-R182 PolarHBondContact O-N 3.12Å; L178-R182 VanDerWaalsContact O-N 3.12Å
179V91.5Very high80.2Confident94 Ų9497.2 Ų97.257%0.5754%0.543SS*.Hα-helixtrans-70.7-45.5174.4169.20000110.7M175 V176 R182 A183M175-V179 WeakPolarHBondContact O-CG2 3.36Å; M175-V179 PolarHBondContact O-N 2.87Å; M175-V179 VanDerWaalsContact O-N 3.15Å; V176-V179 PolarHBondContact O-N 2.92Å; V179-R182 PolarHBondContact O-N 3.45Å; V179-A183 WeakPolarHBondContact O-CB 3.45Å; V179-A183 PolarHBondContact O-N 3.44Å
180E90.2Very high79.2Confident130 Ų13098.6 Ų98.661%0.60754%0.539SS*.Hα-helixtrans-63.4-42.6176.8-70.1-177.2162.500111.7V176 A177 R182 A183 A184V176-E180 HydrophobicContact CG1-CG 4.3Å; V176-E180 PolarHBondContact O-N 3.26Å; A177-E180 PolarHBondContact O-N 3Å; E180-R182 PolarHBondContact O-N 2.86Å; E180-A183 PolarHBondContact O-N 3.48Å; E180-A184 WeakPolarHBondContact O-CB 3.32Å; E180-A184 PolarHBondContact O-N 2.79Å
181Q84.4Confident77.7Confident117 Ų11799.6 Ų99.655%0.54755%0.551SS.*Hα-helixtrans-60-43.6174.9-172.4-178.31600111.9A177 A184 L185A177-Q181 VanDerWaalsContact O-CB 3.22Å; A177-Q181 WeakPolarHBondContact O-CB 3.25Å; A177-Q181 PolarHBondContact O-N 3.32Å; Q181-A184 PolarHBondContact O-N 2.81Å; Q181-L185 HydrophobicContact CG-CD1 4.43Å; Q181-L185 WeakPolarHBondContact O-CG 3.43Å; Q181-L185 PolarHBondContact O-N 2.8Å
182R84.1Confident75.8Confident181 Ų181108 Ų10868%0.68357%0.573SS**Hα-helixtrans-67.7-37.9176.3-74173.5-175.3-179.33.9112.4L178 V179 E180 L185 A186L178-R182 WeakPolarHBondContact O-CB 3.39Å; L178-R182 VanDerWaalsContact O-CG 3.24Å; L178-R182 WeakPolarHBondContact O-CG 3.38Å; L178-R182 PolarHBondContact O-N 3.12Å; L178-R182 VanDerWaalsContact O-N 3.12Å; V179-R182 PolarHBondContact O-N 3.45Å; E180-R182 PolarHBondContact O-N 2.86Å; R182-L185 PolarHBondContact O-N 3.45Å; R182-A186 WeakPolarHBondContact O-CB 3.35Å; R182-A186 PolarHBondContact O-N 3.08Å
183A83.1Confident73.8Confident49 Ų49108.5 Ų108.541%0.40558%0.581SS.*Hα-helixtrans-64.4-43.8174.200000111.7V179 E180 L185 A186 L187V179-A183 WeakPolarHBondContact O-CB 3.45Å; V179-A183 PolarHBondContact O-N 3.44Å; E180-A183 PolarHBondContact O-N 3.48Å; A183-L185 VanDerWaalsContact C-N 3.32Å; A183-L185 PolarHBondContact O-N 3.34Å; A183-A186 PolarHBondContact O-N 3.31Å; A183-L187 WeakPolarHBondContact O-CG 3.4Å; A183-L187 PolarHBondContact O-N 3.09Å
184A79.1Confident71.8Confident47 Ų47110.9 Ų110.939%0.38859%0.589SS.*Hα-helixtrans-63.2-35.5176.800000112.9E180 Q181 Q188E180-A184 WeakPolarHBondContact O-CB 3.32Å; E180-A184 PolarHBondContact O-N 2.79Å; Q181-A184 PolarHBondContact O-N 2.81Å; A184-Q188 WeakPolarHBondContact O-CG 3.13Å; A184-Q188 PolarHBondContact O-N 2.94Å; A184-Q188 PolarHBondContact O-NE2 3.36Å
185L77.8Confident69.3Low101 Ų101112.8 Ų112.853%0.52961%0.607SS.*Hα-helixtrans-73.6-39.1173.9-70.4170.6000112.3Q181 R182 A183 L187 Q188 S189Q181-L185 HydrophobicContact CG-CD1 4.43Å; Q181-L185 WeakPolarHBondContact O-CG 3.43Å; Q181-L185 PolarHBondContact O-N 2.8Å; R182-L185 PolarHBondContact O-N 3.45Å; A183-L185 VanDerWaalsContact C-N 3.32Å; A183-L185 PolarHBondContact O-N 3.34Å; L185-L187 VanDerWaalsContact C-N 3.31Å; L185-L187 PolarHBondContact O-N 3.23Å; L185-Q188 PolarHBondContact O-N 3.36Å; L185-Q188 VanDerWaalsContact O-N 3.12Å; L185-S189 PolarHBondContact O-N 3.2Å
186A73.3Confident67Low48 Ų48116.5 Ų116.540%0.39762%0.623SS.*Hα-helixtrans-61.5-38.5175.600000112.1R182 A183 Q188 S189 Y190R182-A186 WeakPolarHBondContact O-CB 3.35Å; R182-A186 PolarHBondContact O-N 3.08Å; A183-A186 PolarHBondContact O-N 3.31Å; A186-Q188 VanDerWaalsContact C-N 3.29Å; A186-Q188 PolarHBondContact O-N 2.78Å; A186-S189 PolarHBondContact O-N 3.06Å; A186-S189 PolarHBondContact O-OG 3.15Å; A186-Y190 WeakPolarHBondContact O-CD2 3.32Å
187L71.4Confident64.2Low139 Ų139117.5 Ų117.573%0.72864%0.639SS**Hα-helixtrans-68-24.9175.3-69.7171.8000113.6A183 L185A183-L187 WeakPolarHBondContact O-CG 3.4Å; A183-L187 PolarHBondContact O-N 3.09Å; L185-L187 VanDerWaalsContact C-N 3.31Å; L185-L187 PolarHBondContact O-N 3.23Å
188Q65.8Low61.9Low152 Ų152121 Ų12171%0.7166%0.657SS**Hα-helixtrans-82.6-13.8174.7-73.1171.480.800113.4A184 L185 A186A184-Q188 WeakPolarHBondContact O-CG 3.13Å; A184-Q188 PolarHBondContact O-N 2.94Å; A184-Q188 PolarHBondContact O-NE2 3.36Å; L185-Q188 PolarHBondContact O-N 3.36Å; L185-Q188 VanDerWaalsContact O-N 3.12Å; A186-Q188 VanDerWaalsContact C-N 3.29Å; A186-Q188 PolarHBondContact O-N 2.78Å
189S64.3Low59.5Low88 Ų88124.3 Ų124.362%0.61568%0.68SS**SBendtrans-91-3.1-177.569.30000115.1L185 A186 P191L185-S189 PolarHBondContact O-N 3.2Å; A186-S189 PolarHBondContact O-N 3.06Å; A186-S189 PolarHBondContact O-OG 3.15Å; S189-P191 WeakPolarHBondContact O-CD 3.39Å
190Y46.1Very low56.7Low186 Ų186125.7 Ų125.773%0.72969%0.689SS**SBendtrans-85.6116.5175.1-84-88.2000111.6A186 R192A186-Y190 WeakPolarHBondContact O-CD2 3.32Å; Y190-R192 PolarHBondContact O-N 2.9Å
191P45.6Very low53.8Low113 Ų113128.8 Ų128.873%0.73470%0.7SS**  trans-67.7125.5168.628.4-32.7000109.6S189 S193S189-P191 WeakPolarHBondContact O-CD 3.39Å; P191-S193 PolarHBondContact O-N 3.35Å
192R43.6Very low51.3Low240 Ų240129.5 Ų129.591%0.90671%0.712SS**  trans-76.392.6-178.8-158.8176.8-165.9168.63.3109.8Y190 T194Y190-R192 PolarHBondContact O-N 2.9Å; R192-T194 PolarHBondContact O-N 2.95Å
193S32.6Very low48.7Very low123 Ų123125.7 Ų125.786%0.8671%0.714SS**  trans-7285.1-179.543.90000112.3P191P191-S193 PolarHBondContact O-N 3.35Å
194T37.6Very low46.1Very low121 Ų121128 Ų12874%0.74273%0.733SS**  trans-78.8143.4162-13.70000109.9R192R192-T194 PolarHBondContact O-N 2.95Å
195T32.7Very low43.8Very low139 Ų139132.9 Ų132.985%0.85375%0.748SS**  trans113.8123.3167.8-45.70000114.3
196Q42.6Very low41.5Very low192 Ų192136.8 Ų136.890%0.89776%0.763SS**  trans-79.6150.3175.6-64.2168.9-22.900110.6
197A28.7Very low39.2Very low94 Ų94138.5 Ų138.578%0.77779%0.786SS**  trans-133.2145.1170.700000110.7
198P39.3Very low37.2Very low122 Ų122136.5 Ų136.579%0.79279%0.789SS**  trans-88.2162.7-164.735.2-36.9000114.4
199V34.8Very low36.4Very low134 Ų134135.3 Ų135.381%0.81280%0.795SS**  trans-83.6134.2178.8-170.80000110.4
200V33.1Very low34.8Very low124 Ų124136.1 Ų136.175%0.75281%0.806SS**  trans-111122.6172.5178.20000109.6
201F28.9Very low34.2Very low194 Ų194137.7 Ų137.785%0.85182%0.817SS**  trans-83.9145.4169.1-101.7-103.2000110.4
202V32Very low33.4Very low132 Ų132135.9 Ų135.980%0.882%0.819SS**  trans-126.1118.8163.5178.70000108
203S30.7Very low32.9Very low102 Ų102133.2 Ų133.271%0.71382%0.821SS**  trans-112.2145.2168.7-158.20000108.5
204A28.8Very low32.7Very low98 Ų98130.9 Ų130.981%0.8182%0.817SS**  trans-149126.3172.700000109.5
205E29.8Very low32.5Very low149 Ų149131.6 Ų131.670%0.69683%0.827SS**  trans-118.7150.4-173.4-57-158.1159.500112.4
206Q30Very low32.7Very low183 Ų183131.8 Ų131.886%0.85582%0.818SS**  trans65.4135.2149.9-66.4170.443.100121.1
207G25.1Very low32.4Very low84 Ų84133.1 Ų133.187%0.86682%0.815SS**  trans156.797.1167.600000113.9
208A29.9Very low32.8Very low97 Ų97140.1 Ų140.180%0.80282%0.822SS**  trans-127.7-174.9179.100000110.2
209P47.7Very low33.1Very low127 Ų127140.3 Ų140.383%0.82583%0.825SS**  cis-126.5170.3-3535.2-20.1000113
210A31.8Very low33.1Very low104 Ų104138 Ų13886%0.8683%0.829SS**  trans-148.5140.7158.500000112.2
211K33.8Very low33.6Very low220 Ų220135.5 Ų135.596%0.95783%0.828SS**  trans-85.5147.6-179.2-67.2175175.71760111.7
212G28.7Very low34.5Very low75 Ų75128.5 Ų128.577%0.77381%0.811SS**  trans158.5100.9157.500000116.9
213L32.2Very low35.4Very low183 Ų183128.4 Ų128.496%0.95881%0.806SS**  trans36.2121.6150.6-103.664.5000121.3
214G28.6Very low36.2Very low75 Ų75128.7 Ų128.777%0.77381%0.807SS**  112.5113.4120.500000119.9
215S33.2Very low37.6Very low136 Ų136128 Ų12895%0.95180%0.796SS**  trans77.9155.7152.1-147.70000120.1
216E36.9Very low39.2Very low143 Ų143130.1 Ų130.167%0.66880%0.798SS**  trans-105.1159-153.7-124-177.879.200114.4
217R37Very low40.8Very low220 Ų220126 Ų12683%0.8379%0.785SS**  trans75.194.8160.4-63.1171.6-154.5-139.4-0.9119.5
218R36.3Very low42.7Very low241 Ų241125.1 Ų125.191%0.90977%0.769SS**  trans-75.1145.7145.2-53.1-179174.2-151.4-2.4108.1
219S46Very low44.3Very low125 Ų125127.1 Ų127.187%0.87476%0.762SS**  cis62.5106.948.4-157.90000113.5
220G33.7Very low45.1Very low85 Ų85123.3 Ų123.388%0.87674%0.741SS**  trans-158.782.8-174.700000111.5
221G44.8Very low46.7Very low72 Ų72122 Ų12274%0.74272%0.722SS**  trans-143.145.5-178.200000112.3
222G47.8Very low48.4Very low47 Ų47114.2 Ų114.249%0.48570%0.699SS.*  trans-93.6-34.6-177.100000114.8
223D49.7Very low49.7Very low130 Ų130116.2 Ų116.270%0.69569%0.688SS**Hα-helixtrans-86.1-29.9-162.8-54.3-54.2000113.9S225 R226D223-S225 VanDerWaalsContact C-N 3.29Å; D223-S225 PolarHBondContact O-N 3.33Å; D223-R226 PolarHBondContact O-N 2.89Å
224C49.5Very low51.2Low109 Ų109114.3 Ų114.374%0.73667%0.672SS**Hα-helixtrans-64-31.8-179.4-59.40000113.3A228C224-A228 PolarHBondContact O-N 3.14Å
225S58.2Low52.7Low84 Ų84117 Ų11759%0.58766%0.664SS**Hα-helixtrans-71.5-38.9-177.2-157.30000112.3D223 V227 A228 E229D223-S225 VanDerWaalsContact C-N 3.29Å; D223-S225 PolarHBondContact O-N 3.33Å; S225-V227 VanDerWaalsContact C-N 3.33Å; S225-V227 PolarHBondContact O-N 2.89Å; S225-A228 PolarHBondContact O-N 3.38Å; S225-E229 WeakPolarHBondContact O-CB 3.44Å; S225-E229 PolarHBondContact O-N 3.45Å
226R62.1Low53.8Low193 Ų193114 Ų11473%0.72865%0.648SS**Hα-helixtrans-67.4-33.3178.1-74.1-177.7172.7-177.7-2.5112.7D223 A230D223-R226 PolarHBondContact O-N 2.89Å; R226-A230 WeakPolarHBondContact O-CB 3.48Å; R226-A230 PolarHBondContact O-N 3.35Å
227V63.5Low54.3Low97 Ų97112.9 Ų112.959%0.58864%0.643SS**Hα-helixtrans-70.2-40.9176.1179.80000110.8S225 A230 V231S225-V227 VanDerWaalsContact C-N 3.33Å; S225-V227 PolarHBondContact O-N 2.89Å; V227-A230 PolarHBondContact O-N 3.03Å; V227-V231 WeakPolarHBondContact O-CG2 3.24Å; V227-V231 PolarHBondContact O-N 3.29Å
228A65.7Low54.8Low64 Ų64112.5 Ų112.553%0.52964%0.642SS.*Hα-helixtrans-63.5-42.7175.300000112.3C224 S225 V231 A232C224-A228 PolarHBondContact O-N 3.14Å; S225-A228 PolarHBondContact O-N 3.38Å; A228-V231 PolarHBondContact O-N 2.81Å; A228-A232 PolarHBondContact O-N 2.77Å
229E63.5Low55Low139 Ų139107.9 Ų107.965%0.6564%0.635SS**Hα-helixtrans-64.7-41.5177.3-169.6173.3-163.200112.2S225 A232 H233S225-E229 WeakPolarHBondContact O-CB 3.44Å; S225-E229 PolarHBondContact O-N 3.45Å; E229-A232 PolarHBondContact O-N 2.85Å; E229-H233 PolarHBondContact O-N 3.37Å
230A64.3Low54.7Low48 Ų48106 Ų10640%0.39762%0.622SS.*Hα-helixtrans-63.5-40.9174.200000112.7R226 V227 H233 F234R226-A230 WeakPolarHBondContact O-CB 3.48Å; R226-A230 PolarHBondContact O-N 3.35Å; V227-A230 PolarHBondContact O-N 3.03Å; A230-H233 PolarHBondContact O-N 2.83Å; A230-F234 VanDerWaalsContact O-CD2 3.25Å; A230-F234 WeakPolarHBondContact O-CD2 3.22Å; A230-F234 PolarHBondContact O-N 3.47Å; A230-F234 VanDerWaalsContact O-N 3.11Å
231V65.7Low55.1Low75 Ų75107.5 Ų107.546%0.45562%0.616SS.*Hα-helixtrans-64.6-44.6176.7170.30000111.1V227 A228 H233 F234 E235V227-V231 WeakPolarHBondContact O-CG2 3.24Å; V227-V231 PolarHBondContact O-N 3.29Å; A228-V231 PolarHBondContact O-N 2.81Å; V231-H233 VanDerWaalsContact C-N 3.3Å; V231-H233 PolarHBondContact O-N 3.4Å; V231-F234 PolarHBondContact O-N 3.23Å; V231-F234 VanDerWaalsContact O-N 3.1Å; V231-E235 PolarHBondContact O-N 3.39Å
232A68.3Low54.8Low57 Ų57110.2 Ų110.247%0.47162%0.621SS.*Hα-helixtrans-60.1-38.8176.500000112.5A228 E229 E235 A236A228-A232 PolarHBondContact O-N 2.77Å; E229-A232 PolarHBondContact O-N 2.85Å; A232-E235 PolarHBondContact O-N 3.05Å; A232-A236 WeakPolarHBondContact O-CB 3.25Å; A232-A236 PolarHBondContact O-N 3.34Å
233H57.7Low54.2Low118 Ų118114.6 Ų114.655%0.54664%0.638SS.*Hα-helixtrans-64.3-39.6174.4-169.5-69.9000112.2E229 A230 V231 Q237E229-H233 PolarHBondContact O-N 3.37Å; A230-H233 PolarHBondContact O-N 2.83Å; V231-H233 VanDerWaalsContact C-N 3.3Å; V231-H233 PolarHBondContact O-N 3.4Å; H233-Q237 PolarHBondContact CE1-OE1 2.83Å; H233-Q237 PolarHBondContact ND1-OE1 3.5Å; H233-Q237 WeakPolarHBondContact O-CB 3.33Å; H233-Q237 PolarHBondContact O-N 3.43Å
234F62.7Low53.6Low142 Ų142118.7 Ų118.762%0.62365%0.65SS**Hα-helixtrans-72.1-28.1177.5-85.2-65.1000114.1A230 V231 R238A230-F234 VanDerWaalsContact O-CD2 3.25Å; A230-F234 WeakPolarHBondContact O-CD2 3.22Å; A230-F234 PolarHBondContact O-N 3.47Å; A230-F234 VanDerWaalsContact O-N 3.11Å; V231-F234 PolarHBondContact O-N 3.23Å; V231-F234 VanDerWaalsContact O-N 3.1Å; F234-R238 WeakPolarHBondContact O-CD 3.39Å; F234-R238 WeakPolarHBondContact O-CG 3.4Å
235E60.8Low52.8Low131 Ų131117 Ų11761%0.61265%0.651SS**Hα-helixtrans-74.7-47.6173.4-70.3-176151.800110.9V231 A232 Q237 R238V231-E235 PolarHBondContact O-N 3.39Å; A232-E235 PolarHBondContact O-N 3.05Å; E235-Q237 PolarHBondContact O-N 2.82Å; E235-Q237 VanDerWaalsContact O-N 3.15Å; E235-R238 PolarHBondContact O-N 2.82Å
236A56.1Low51.6Low74 Ų74121.3 Ų121.361%0.61267%0.666SS**Hα-helixtrans-58.1-31.1177.100000113.6A232 R238A232-A236 WeakPolarHBondContact O-CB 3.25Å; A232-A236 PolarHBondContact O-N 3.34Å; A236-R238 VanDerWaalsContact C-N 3.25Å; A236-R238 PolarHBondContact O-N 2.83Å
237Q46.4Very low50.2Low119 Ų119122.8 Ų122.856%0.55667%0.672SS**THydrogen-bonded Turntrans-79.9-1.6-179.6-156.6161.223.400113.9H233 E235H233-Q237 PolarHBondContact CE1-OE1 2.83Å; H233-Q237 PolarHBondContact ND1-OE1 3.5Å; H233-Q237 WeakPolarHBondContact O-CB 3.33Å; H233-Q237 PolarHBondContact O-N 3.43Å; E235-Q237 PolarHBondContact O-N 2.82Å; E235-Q237 VanDerWaalsContact O-N 3.15Å
238R48.3Very low48.5Very low212 Ų212127 Ų12780%0.868%0.683SS**THydrogen-bonded Turntrans-99.7-14.1178.8-69.2174.568.2150.14114.4F234 E235 A236F234-R238 WeakPolarHBondContact O-CD 3.39Å; F234-R238 WeakPolarHBondContact O-CG 3.4Å; E235-R238 PolarHBondContact O-N 2.82Å; A236-R238 VanDerWaalsContact C-N 3.25Å; A236-R238 PolarHBondContact O-N 2.83Å
239D40.8Very low47Very low145 Ų145131.5 Ų131.578%0.77569%0.692SS**SBendtrans-93.46.1-175.4-74-33.2000114.6P241D239-P241 WeakPolarHBondContact O-CD 3.49Å
240S38.7Very low45.2Very low86 Ų86133.1 Ų133.160%0.60170%0.7SS**  trans-100.9110.7176.763.70000112.9
241P42Very low43.7Very low116 Ų116142.1 Ų142.175%0.75372%0.724SS**PPolyproline II helixtrans-87.3127.9178.132.6-32.8000112.5D239D239-P241 WeakPolarHBondContact O-CD 3.49Å
242P40.2Very low42.5Very low129 Ų129144.7 Ų144.784%0.83874%0.742SS**PPolyproline II helixtrans-83.9143.5172.931.5-31.7000112.9
243T33.6Very low40.6Very low138 Ų138145.2 Ų145.285%0.84775%0.753SS**PPolyproline II helixtrans-81160-172.545.70000115
244K37.9Very low39.6Very low216 Ų216146 Ų14694%0.93977%0.769SS**PPolyproline II helixtrans-58.3144.8175.1-64.3175.6178175.90113.1
245G32.1Very low38.4Very low74 Ų74142.9 Ų142.976%0.76378%0.776SS**  trans-146.2154170.800000112
246L33Very low37.2Very low174 Ų174143.1 Ų143.191%0.91179%0.789SS**  trans-90.7159.7-164.7-87.595.7000116.9
247R32.1Very low36.1Very low224 Ų224143 Ų14385%0.84580%0.795SS**  trans-18.4147164.1-66.6-178.7168.8-97.10.4119.3
248K28.6Very low35.3Very low187 Ų187144.4 Ų144.481%0.81380%0.801SS**  -148.6152.4121.4-160.8179.8173.4-156.20111.4E250K248-E250 IonicContact NZ-OE2 3.79Å
249E33.5Very low34.5Very low157 Ų157140.4 Ų140.473%0.73480%0.8SS**  trans-104140.6178.9174.1-169.5137.600110.6
250E27.5Very low34Very low173 Ų173143.2 Ų143.281%0.80880%0.8SS**  trans-159.5174153.8-132.4169.398.800113.2K248K248-E250 IonicContact NZ-OE2 3.79Å
251R32.1Very low33.6Very low238 Ų238145.4 Ų145.490%0.89880%0.804SS**  trans-97.4171.7-151.1-103.3-177.4167.6176.6-4116.4
252P40.1Very low32.8Very low128 Ų128144 Ų14483%0.83180%0.801SS**  trans-86.3155.8-16735.1-36.9000115.4
253G29Very low32.1Very low69 Ų69146.9 Ų146.971%0.71180%0.801SS**  trans-139.3165174.800000112.4
254P35.8Very low31.8Very low135 Ų135151.4 Ų151.488%0.87780%0.803SS**PPolyproline II helixtrans-87147.5-146.732.8-37.1000115.6
255G37.4Very low31.4Very low75 Ų75149 Ų14977%0.77380%0.799SS**PPolyproline II helixtrans-92.6146.6173.600000113.7
256P36.8Very low31.1Very low137 Ų137151 Ų15189%0.8980%0.8SS**PPolyproline II helixtrans-91.7148.6160.435.9-30.2000110.1
257G32.4Very low30.8Very low70 Ų70150.9 Ų150.972%0.72280%0.801SS**  cis166.796.50.300000108
258E30.2Very low30.6Very low149 Ų149144.1 Ų144.170%0.69680%0.8SS**  trans-79.2121.9-172.6-172.5-174.4137.600111.5R260E258-R260 HydrophobicContact CG-CG 4.14Å; E258-R260 WeakPolarHBondContact OE1-CD 3.22Å; E258-R260 WeakPolarHBondContact OE1-CG 3.11Å; E258-R260 IonicContact OE1-CZ 3.76Å; E258-R260 IonicContact OE1-NE 3.71Å; E258-R260 IonicContact OE1-NH1 2.71Å; E258-R260 PolarHBondContact OE1-NH1 3.41Å
259V30.9Very low30.7Very low128 Ų128147.2 Ų147.278%0.77681%0.807SS**  trans-95.9113.1176.3179.90000109.8I261V259-I261 HydrophobicContact CG1-CG1 4.25Å
260R31.1Very low30.6Very low204 Ų204147 Ų14777%0.7781%0.806SS**  trans-110.4118.8175.1-57.917284.6126.9-9.7109E258E258-R260 HydrophobicContact CG-CG 4.14Å; E258-R260 WeakPolarHBondContact OE1-CD 3.22Å; E258-R260 WeakPolarHBondContact OE1-CG 3.11Å; E258-R260 IonicContact OE1-CZ 3.76Å; E258-R260 IonicContact OE1-NE 3.71Å; E258-R260 IonicContact OE1-NH1 2.71Å; E258-R260 PolarHBondContact OE1-NH1 3.41Å
261I30Very low30.9Very low133 Ų133145.1 Ų145.168%0.68281%0.809SS**  trans-98.9130.5177.6-56.5176.7000108.8V259 F263V259-I261 HydrophobicContact CG1-CG1 4.25Å; I261-F263 HydrophobicContact CG2-CD2 4.1Å; I261-F263 HydrophobicContact CG2-CE2 3.52Å; I261-F263 HydrophobicContact CG2-CZ 3.82Å
262A25.1Very low30.7Very low85 Ų85143.9 Ų143.970%0.70280%0.804SS**  trans-127.9126.7174.100000109.7
263F25.4Very low30.2Very low191 Ų191143 Ų14384%0.83880%0.801SS**  trans-96.5141.6176.5-71.7-79.2000111.4I261I261-F263 HydrophobicContact CG2-CD2 4.1Å; I261-F263 HydrophobicContact CG2-CE2 3.52Å; I261-F263 HydrophobicContact CG2-CZ 3.82Å
264R27.6Very low30.6Very low232 Ų232144.6 Ų144.688%0.87580%0.799SS**  trans-121.5136.1177.5-39.7177.6-166.6-163.52.3106.2
265I28.2Very low30.2Very low167 Ų167146 Ų14686%0.85680%0.799SS**  trans-130.5129.5173.5-56.6-179.1000108.1
266S27.2Very low29.7Very low114 Ų114145.8 Ų145.880%0.79780%0.797SS**  trans-103148.9-178.1-59.40000111
267N27Very low29.3Very low173 Ų173147.5 Ų147.593%0.92580%0.798SS**  trans-67.9146176.1-71.6-14.2000112.5
268G27.7Very low29Very low81 Ų81151.9 Ų151.984%0.83580%0.804SS**  trans-136.2148.5164.600000110.1
269R29.2Very low29.6Very low253 Ų253149.8 Ų149.896%0.95580%0.804SS**  trans-129.8151.7-164.5-163.1-177.9-164.1-127.67.9112.1
270E31.8Very low29.4Very low153 Ų153149.2 Ų149.272%0.71580%0.801SS**  trans-40.1159.8176.3-135.898.2167.800117.9
271P33.5Very low29.2Very low132 Ų132151 Ų15186%0.85781%0.807SS**  -148.1-172.884.936.2-14.9000117.7
272R29.3Very low29.1Very low213 Ų213149.3 Ų149.380%0.80481%0.808SS**  trans-115154.5-157.4-57.2169.4168.5165.5-7.4118.1
273S27.9Very low29.2Very low110 Ų110148.4 Ų148.477%0.76981%0.807SS**  trans60.6169.9140.266.90000121.1
274P39.2Very low29.3Very low102 Ų102145.9 Ų145.966%0.66281%0.813SS**  cis-144.7-174.29.246.2-26.5000119.6
275D27.5Very low29.5Very low163 Ų163146.3 Ų146.387%0.87281%0.814SS**  trans72.7141.6149.4-60.6-32.7000126.5
276G25.8Very low30.3Very low71 Ų71144.1 Ų144.173%0.73281%0.811SS**  trans158.360.7159.300000124.4
277N28.4Very low30.3Very low173 Ų173142.3 Ų142.393%0.92581%0.811SS**  trans64.3148.4148.1-67.7-23.8000126.3
278L26.8Very low30.4Very low162 Ų162139.8 Ų139.885%0.84881%0.807SS**  trans-102-172.1171.5-132.585.8000109.8
279P42.8Very low30.9Very low106 Ų106141.9 Ų141.969%0.68881%0.805SS**  cis-153.5-176.630.545.9-22.8000120.8
280T26.3Very low30.9Very low115 Ų115133.7 Ų133.771%0.70680%0.8SS**  trans96.6109.5138.7-62.80000123.4
281W26.3Very low30.9Very low241 Ų241131.6 Ų131.691%0.91381%0.808SS**  trans67.8142.7135.7-142.9-109.1000119.4
282S28.6Very low30.9Very low99 Ų99137.1 Ų137.169%0.69281%0.812SS**  cis-164.5166.2-3.345.60000107.6
283G26.5Very low31.1Very low66 Ų66131.4 Ų131.468%0.6881%0.81SS**  cis176.1-173.52.600000110.3
284S28.7Very low31.3Very low137 Ų137135.5 Ų135.596%0.95881%0.814SS**  trans86.2143.6175.7-57.30000119.2
285R32.1Very low31Very low242 Ų242138.1 Ų138.191%0.91382%0.823SS**  trans-147-178.2-163-114.8-175.5179.3-149.82.8107.6
286P43Very low31.2Very low120 Ų120139.7 Ų139.778%0.77982%0.822SS**  cis-132.1174.7-18.835.6-17.6000114.1
287G27.4Very low31.4Very low77 Ų77144.1 Ų144.179%0.79483%0.827SS**  trans16683.5166.100000115.8
288S30.3Very low31.5Very low120 Ų120141.2 Ų141.284%0.83982%0.816SS**  trans-90.7170.2176.3-60.50000111.5
289P38.6Very low31.8Very low125 Ų125138.9 Ų138.981%0.81281%0.812SS**  cis-141.5157.715.540.4-20.9000119.3
290G28.2Very low31.4Very low81 Ų81141.4 Ų141.484%0.83582%0.819SS**  89.9103.2129.900000120.8
291A32.6Very low31.8Very low108 Ų108143.1 Ų143.189%0.89382%0.823SS**  trans-164.3139.6139.700000110.4
292R32.3Very low32.1Very low249 Ų249142.9 Ų142.994%0.9482%0.824SS**  trans-85.7143.6178.8-84.1-172.8174.7-1641112.4
293A34.2Very low32.4Very low92 Ų92147.2 Ų147.276%0.7683%0.833SS**  trans50.4131.4139.600000121.4
294K32.9Very low32.6Very low196 Ų196151.6 Ų151.685%0.85284%0.84SS**  -163.597.9120.2-149159.2-174.8172.70111.5
295D31.1Very low32.9Very low158 Ų158153 Ų15385%0.84584%0.835SS**  trans-67.4138171.7-68.7-50.3000110.7I297D295-I297 PolarHBondContact O-N 2.82Å
296K31.7Very low32.7Very low195 Ų195146.7 Ų146.785%0.84883%0.828SS**  trans-90104.4-172.5-63.8-178.6-179.6-176.70110.2T298K296-T298 PolarHBondContact O-N 2.82Å
297I30.1Very low32.2Very low164 Ų164147 Ų14784%0.84183%0.83SS**  trans-82.3100.9165.5-57.3175000107.7D295D295-I297 PolarHBondContact O-N 2.82Å
298T32.1Very low32.2Very low113 Ų113147.5 Ų147.569%0.69382%0.822SS**  trans-84.6126.2168.942.70000109.8K296K296-T298 PolarHBondContact O-N 2.82Å
299C32.1Very low32.6Very low113 Ų113153.4 Ų153.476%0.76483%0.826SS**  trans-102100.9177.251.30000111.7L301C299-L301 VanDerWaalsContact C-N 3.33Å; C299-L301 PolarHBondContact O-N 3.17Å
300D34.8Very low32.7Very low159 Ų159154.2 Ų154.285%0.8582%0.823SS**  trans-74.280.2173.6-71-44.1000111.4
301L35.1Very low33.3Very low151 Ų151154.4 Ų154.479%0.79182%0.817SS**  trans-131.945.6177.7-15969.9000113.6C299C299-L301 VanDerWaalsContact C-N 3.33Å; C299-L301 PolarHBondContact O-N 3.17Å
302Y31.9Very low33.3Very low236 Ų236157.1 Ų157.193%0.92582%0.815SS**  trans-143.738.5171.6-101.3-77.4000114
303Q33.9Very low33.5Very low189 Ų189150.6 Ų150.688%0.88381%0.805SS**SBendtrans-116.31.9174.5-81.1-164.28.700116.2
304L32.7Very low33.8Very low159 Ų159151 Ų15183%0.83280%0.803SS**SBendtrans-126.8143.1168.5-7894.3000111.3
305I34.2Very low34.2Very low166 Ų166148.2 Ų148.285%0.85180%0.797SS**SBendtrans76.759.9-179.8-37.3169.2000114.5
306S27.8Very low34.6Very low109 Ų109148.3 Ų148.376%0.76279%0.794SS**  trans-130.1124.9135.8-76.50000107.5S308S306-S308 PolarHBondContact O-N 3.19Å
307P31.4Very low35Very low126 Ų126146.1 Ų146.182%0.81879%0.787SS**  trans-60.6121.7168.6-19.131.9000108.4
308S29.3Very low35.3Very low89 Ų89147.5 Ų147.562%0.62279%0.787SS**  trans-60149.9173.549.50000110S306 D310S306-S308 PolarHBondContact O-N 3.19Å; S308-D310 PolarHBondContact O-N 3.04Å; S308-D310 VanDerWaalsContact O-N 3.11Å
309R37.5Very low35.7Very low244 Ų244149.1 Ų149.192%0.92179%0.791SS**SBendtrans-81.422-179.2-80.6178.254.7-171.6-7.3113.1
310D41.8Very low36Very low142 Ų142150.5 Ų150.576%0.75979%0.79SS**  trans-124.941.5-165.8-56.8-64.6000112.1S308S308-D310 PolarHBondContact O-N 3.04Å; S308-D310 VanDerWaalsContact O-N 3.11Å
311A40.3Very low36.1Very low85 Ų85147.2 Ų147.270%0.70279%0.785SS**  trans-147.270.7173.400000111.7
312L32.8Very low36.3Very low164 Ų164151.2 Ų151.286%0.85979%0.79SS**  trans-117.3133.3156.7-70.1176.8000108S314L312-S314 PolarHBondContact O-N 3.06Å
313P36.4Very low36.5Very low113 Ų113144 Ų14473%0.73478%0.779SS**  trans-68.4128.6-177.527.1-33.6000111.1N315P313-N315 PolarHBondContact O-N 3.24Å; P313-N315 VanDerWaalsContact O-N 3.12Å
314S40.7Very low36.6Very low101 Ų101142.2 Ų142.271%0.70678%0.775SS**  trans-75.294.4177.642.40000111.4L312L312-S314 PolarHBondContact O-N 3.06Å
315N41.5Very low37Very low136 Ų136143.8 Ų143.873%0.72778%0.779SS**  trans-11610.9173.568.8-27.8000114.6P313P313-N315 PolarHBondContact O-N 3.24Å; P313-N315 VanDerWaalsContact O-N 3.12Å
316M38.3Very low37Very low161 Ų161140.9 Ų140.979%0.79378%0.779SS**SBendtrans-100.3-14.6173.676.4-177.7-166.500114.5
317E40.1Very low37.2Very low149 Ų149141.2 Ų141.270%0.69678%0.782SS**G310 helixtrans-82.2-22.6-174.3-155.5159.3-151.200112.7L319E317-L319 VanDerWaalsContact C-N 3.29Å; E317-L319 PolarHBondContact O-N 2.84Å
318F37.2Very low37.2Very low192 Ų192144.9 Ų144.984%0.84279%0.788SS**G310 helixtrans-81.1-0.2-179.9-141.3-93.4000114.6
319L39.1Very low37.2Very low147 Ų147144.1 Ų144.177%0.7779%0.794SS**G310 helixtrans-111.5-6.8-179.2-70.6177000114.4E317E317-L319 VanDerWaalsContact C-N 3.29Å; E317-L319 PolarHBondContact O-N 2.84Å
320L39.4Very low36.7Very low142 Ų142142 Ų14274%0.74379%0.794SS**THydrogen-bonded Turntrans-100.7-20.8174.1-72.7167.2000112.9R322L320-R322 PolarHBondContact O-N 3.2Å
321A37.5Very low36.2Very low91 Ų91141.5 Ų141.575%0.75280%0.797SS**THydrogen-bonded Turntrans-78.626.3176.200000114.6
322R39Very low35.9Very low235 Ų235143.3 Ų143.389%0.88780%0.801SS**THydrogen-bonded Turntrans-142.619.7-180-121.2-176.9-175.6177.42.2115L320L320-R322 PolarHBondContact O-N 3.2Å
323A36.7Very low35.6Very low85 Ų85140.4 Ų140.470%0.70280%0.801SS**SBendtrans-121.69.8179.100000114.1
324D36Very low35.4Very low150 Ų150143.3 Ų143.380%0.80281%0.809SS**SBendtrans-122.895.9166.9-88.9-62.9000107.3
325E39.3Very low34.7Very low193 Ų193143.2 Ų143.290%0.90282%0.815SS**  trans175.660162.8-94-47.399.200108.3
326A35.3Very low34.3Very low104 Ų104148.1 Ų148.186%0.8682%0.823SS**  trans-164.352.2175.800000115.3
327S32.2Very low34.4Very low117 Ų117145.3 Ų145.382%0.81882%0.817SS**  trans-163.870.7162.4-173.90000113.4
328E29.8Very low33.9Very low203 Ų203146.6 Ų146.695%0.94982%0.823SS**  trans-107.8135.7168.7-82.7-88.2113.800110.4
329G29.5Very low33.6Very low73 Ų73144.3 Ų144.375%0.75382%0.819SS**  trans107.5121.4-174.500000112.1
330E27.3Very low33.5Very low198 Ų198143 Ų14393%0.92582%0.818SS**  cis-142.2171.223.5-148.4173.7123.900112.6
331T31.2Very low33.5Very low133 Ų133141.9 Ų141.982%0.81682%0.819SS**  trans-83.4152.2-158.8-39.60000115.2
332P35.4Very low33.7Very low122 Ų122143.6 Ų143.679%0.79282%0.822SS**  trans-97164.9-172.537.7-37.3000115.9
333A25.6Very low33.7Very low103 Ų103136.8 Ų136.885%0.85182%0.817SS**  trans-114.594.617600000114
334L31.6Very low34.1Very low174 Ų174138.4 Ų138.491%0.91182%0.82SS**  trans34.1110.9142-158.779000121.9
335A26.3Very low34.6Very low100 Ų100136.9 Ų136.983%0.82682%0.818SS**  trans-158.7154.5134.900000111.5
336R32.8Very low34.9Very low239 Ų239133.4 Ų133.490%0.90281%0.812SS**  trans-147.5172.5-174.7-106.6-171.7175177-1.4108.2
337P41.7Very low35.2Very low101 Ų101134 Ų13466%0.65681%0.808SS**  cis-135.4-159.5-25.432.5-9000112.6
338E28.2Very low35.4Very low177 Ų177134.1 Ų134.183%0.82781%0.805SS**  trans76.7140.3168.5-48.5-165.3123.600116.2
339D30.7Very low35.6Very low143 Ų143129.1 Ų129.177%0.76580%0.799SS**  cis-146.8166.511.6-154-12.7000111.6
340T37.8Very low35.6Very low121 Ų121136.7 Ų136.774%0.74281%0.805SS**  trans-142.4132.9-177.4-63.30000114
341P38.9Very low35.8Very low118 Ų118135 Ų13577%0.76680%0.802SS**  trans-114.4156.1151.88.812.8000113.1
342P41.4Very low35.7Very low126 Ų126135.1 Ų135.182%0.81881%0.807SS**PPolyproline II helixtrans-90.5158.4-160.735.2-37.6000116.1
343A39.2Very low35.3Very low93 Ų93132.6 Ų132.677%0.76980%0.803SS**PPolyproline II helixtrans-83.1150.3172.300000113
344P46.1Very low35.8Very low119 Ų119132.7 Ų132.777%0.77380%0.804SS**PPolyproline II helixtrans-79.1154.9177.732.4-35.4000113.4
345P46.9Very low35.9Very low118 Ų118129.1 Ų129.177%0.76679%0.793SS**PPolyproline II helixtrans-77.6156.7-176.431.8-36.4000113.9
346P44.3Very low36Very low119 Ų119127.9 Ų127.977%0.77379%0.791SS**PPolyproline II helixtrans-76147.4178.731.4-35.4000112.9
347P42Very low35.7Very low118 Ų118126 Ų12677%0.76679%0.789SS**PPolyproline II helixtrans-76.2153.6175.731.7-34.9000112.7
348P36.1Very low34.9Very low118 Ų118128.4 Ų128.477%0.76679%0.791SS**PPolyproline II helixtrans-73.4156.4-174.830.2-36.1000113.8
349A34.1Very low34.8Very low99 Ų99125.7 Ų125.782%0.81879%0.787SS**PPolyproline II helixtrans-56.6143.8175.500000112.1
350R29.6Very low34.4Very low232 Ų232124.7 Ų124.788%0.87578%0.781SS**  trans-112.3122.9170.7-66.3-175.270.8174.12.7109.1C352R350-C352 PolarHBondContact O-N 3.05Å
351D31.4Very low33.8Very low163 Ų163124.7 Ų124.787%0.87278%0.781SS**  trans-61.8122.5175.3-58.7-70000111.2G353D351-G353 PolarHBondContact O-N 3.45Å; D351-G353 VanDerWaalsContact O-N 3.08Å
352C28.8Very low33.2Very low134 Ų134124.5 Ų124.591%0.90578%0.777SS**  trans-78.188.5169-79.60000109.6R350 A354R350-C352 PolarHBondContact O-N 3.05Å; C352-A354 PolarHBondContact O-N 2.94Å
353G28.7Very low32.6Very low70 Ų70124 Ų12472%0.72277%0.772SS**  trans-58.1128171.200000111.7D351 S355D351-G353 PolarHBondContact O-N 3.45Å; D351-G353 VanDerWaalsContact O-N 3.08Å; G353-S355 PolarHBondContact O-N 2.94Å
354A35.4Very low32.1Very low104 Ų104125.6 Ų125.686%0.8677%0.772SS**  trans-68.6110.3179.900000111.2C352 G356C352-A354 PolarHBondContact O-N 2.94Å; A354-G356 PolarHBondContact O-N 3.11Å
355S33.2Very low31.4Very low99 Ų99122.8 Ų122.869%0.69277%0.765SS**  trans-75.791171.759.60000110.5G353G353-S355 PolarHBondContact O-N 2.94Å
356G29.6Very low30.5Very low75 Ų75124 Ų12477%0.77377%0.77SS**PPolyproline II helixtrans-65.5134.2170.100000111.5A354A354-G356 PolarHBondContact O-N 3.11Å
357F25.3Very low29.7Very low198 Ų198124.6 Ų124.687%0.86877%0.771SS**PPolyproline II helixtrans-85.3124.6176.7-68.1-89000110.8
358H25.2Very low29.1Very low152 Ų152126.2 Ų126.270%0.70477%0.773SS**PPolyproline II helixtrans-95.7134.4169.9-165.2-100000109.4D360H358-D360 IonicContact CE1-OD1 2.58Å; H358-D360 PolarHBondContact CE1-OD1 3.23Å; H358-D360 IonicContact CE1-OD2 3.27Å; H358-D360 PolarHBondContact CE1-OD2 2.85Å; H358-D360 IonicContact ND1-OD1 3.98Å; H358-D360 IonicContact ND1-OD2 3.49Å; H358-D360 PolarHBondContact ND1-OD2 2.79Å
359V25.5Very low28.8Very low121 Ų121129 Ų12973%0.73378%0.776SS**  trans-118.7102.2177.1-179.20000109V361V359-V361 HydrophobicContact CG1-CG2 4.42Å
360D23.3Very low28.6Very low121 Ų121129.7 Ų129.765%0.64777%0.774SS**  trans-84.8116.9170.4-81.3-63.5000110.8H358 V362H358-D360 IonicContact CE1-OD1 2.58Å; H358-D360 PolarHBondContact CE1-OD1 3.23Å; H358-D360 IonicContact CE1-OD2 3.27Å; H358-D360 PolarHBondContact CE1-OD2 2.85Å; H358-D360 IonicContact ND1-OD1 3.98Å; H358-D360 IonicContact ND1-OD2 3.49Å; H358-D360 PolarHBondContact ND1-OD2 2.79Å; D360-V362 PolarHBondContact O-N 3.33Å
361V25.3Very low28.6Very low121 Ų121124 Ų12473%0.73376%0.764SS**  trans-89.791.1173-177.10000109V359 V363V359-V361 HydrophobicContact CG1-CG2 4.42Å; V361-V363 HydrophobicContact CG1-CG2 4.08Å; V361-V363 PolarHBondContact O-N 3.08Å
362V25.8Very low28.4Very low114 Ų114125.6 Ų125.669%0.69176%0.764SS**  trans-87.1107.8174.6-178.70000109.9D360 T364D360-V362 PolarHBondContact O-N 3.33Å; V362-T364 HydrophobicContact CG1-CG2 4.06Å; V362-T364 PolarHBondContact O-N 3.38Å
363V29.4Very low28.4Very low115 Ų115128.8 Ų128.870%0.69776%0.763SS**  trans-94.389.7173.9-1750000109.8V361 G365V361-V363 HydrophobicContact CG1-CG2 4.08Å; V361-V363 PolarHBondContact O-N 3.08Å; V363-G365 VanDerWaalsContact C-N 3.35Å; V363-G365 PolarHBondContact O-N 3.18Å
364T29.1Very low28.4Very low128 Ų128128.4 Ų128.479%0.78576%0.759SS**  trans-84.779.1165.552.10000110.2V362V362-T364 HydrophobicContact CG1-CG2 4.06Å; V362-T364 PolarHBondContact O-N 3.38Å
365G30.1Very low28.3Very low60 Ų60133.2 Ų133.262%0.61976%0.76SS**  trans-87.3110.8167.900000110.5V363V363-G365 VanDerWaalsContact C-N 3.35Å; V363-G365 PolarHBondContact O-N 3.18Å
366V29Very low28.3Very low143 Ų143136 Ų13687%0.86777%0.767SS**  trans-82.3123.6163.5-158.90000107
367V27.7Very low28.5Very low132 Ų132136 Ų13680%0.877%0.767SS**  trans-87.4110.9175.31790000107.8
368D29.3Very low28.9Very low151 Ų151132.3 Ų132.381%0.80776%0.761SS**  trans-70.4129.9168.2-104.1-33.2000109.8C370D368-C370 PolarHBondContact O-N 3.06Å
369E29Very low29.2Very low177 Ų177133.3 Ų133.383%0.82776%0.763SS**  trans-73.2110.4-173.1-165.6170.6-150.700110.5V371E369-V371 PolarHBondContact O-N 3.14Å
370C30.4Very low29.5Very low114 Ų114134.2 Ų134.277%0.7776%0.764SS**  trans-7690.8178.5-73.70000110.9D368 F372D368-C370 PolarHBondContact O-N 3.06Å; C370-F372 PolarHBondContact O-N 3.19Å
371V28.7Very low29.7Very low112 Ų112135.6 Ų135.668%0.67978%0.776SS**  trans-62.8113.1173.7178.90000110.6E369 F373E369-V371 PolarHBondContact O-N 3.14Å; V371-F373 PolarHBondContact O-N 3.47Å
372F26.8Very low29.9Very low196 Ų196137.3 Ų137.386%0.8677%0.774SS**  trans-75.7117.2167.9-88.2-100.1000110.3C370 G374C370-F372 PolarHBondContact O-N 3.19Å; F372-G374 VanDerWaalsContact C-N 3.25Å; F372-G374 PolarHBondContact O-N 3.16Å
373F29.8Very low30.1Very low201 Ų201138.7 Ų138.788%0.88277%0.773SS**  trans-77.178.9163.3-90.2-86.3000110.2V371 K375V371-F373 PolarHBondContact O-N 3.47Å; F373-K375 PolarHBondContact O-N 2.82Å
374G29.4Very low30Very low62 Ų62140.9 Ų140.964%0.63978%0.776SS**PPolyproline II helixtrans-67.7120.6157.800000108.8F372F372-G374 VanDerWaalsContact C-N 3.25Å; F372-G374 PolarHBondContact O-N 3.16Å
375K32.2Very low29.9Very low206 Ų206139.9 Ų139.990%0.89677%0.769SS**PPolyproline II helixtrans-94.8117178.9-173.1176.6179.5-178.20108.9F373 G377F373-K375 PolarHBondContact O-N 2.82Å; K375-G377 PolarHBondContact O-N 2.91Å
376D33.9Very low29.6Very low157 Ų157142.5 Ų142.584%0.8477%0.774SS**PPolyproline II helixtrans-57.7133.3-170.3-56.4-69.8000113.5
377G33.7Very low29.5Very low74 Ų74141.7 Ų141.776%0.76377%0.772SS**PPolyproline II helixtrans-90134.2173.100000111.5K375K375-G377 PolarHBondContact O-N 2.91Å
378T32.4Very low29.3Very low121 Ų121143.3 Ų143.374%0.74278%0.776SS**  trans-141.7150.7154.362.10000110.4
379K32.4Very low29.3Very low173 Ų173142.3 Ų142.375%0.75278%0.776SS**  trans87.386.8160.1-56.5178.8-166.4-178.50118.7
380N31.3Very low29.2Very low140 Ų140140.7 Ų140.775%0.74978%0.777SS**  46.4118.2128.551.9-109.7000120.9
381V29.2Very low29Very low150 Ų150139.9 Ų139.991%0.90977%0.773SS**  -160.9163124.8133.80000109.3
382K29.2Very low29.7Very low157 Ų157140.9 Ų140.968%0.68378%0.782SS**  trans-106.3166-169.2-162.9-173175.9-136.20110
383E29.1Very low30Very low144 Ų144140.8 Ų140.867%0.67378%0.784SS**  trans66.8151.4169.7-70.8137.9-165.100114.6
384E27.9Very low30.1Very low160 Ų160140 Ų14075%0.74878%0.783SS**  cis-150.5-178.1-2.4-136.2-164.7115.700111.5
385T26.5Very low30.5Very low107 Ų107142.5 Ų142.566%0.65679%0.788SS**  trans-21.7149.3159.747.80000116.8
386V24Very low31.3Very low116 Ų116138.4 Ų138.470%0.70378%0.782SS**  -162.914462.51620000110.7L388V386-L388 HydrophobicContact CG1-CG 4.03Å
387C25.9Very low31.4Very low125 Ų125136.8 Ų136.885%0.84578%0.78SS**  trans-87.4135.3162.3-67.60000110.8
388L23.8Very low31.4Very low167 Ų167139.7 Ų139.787%0.87479%0.786SS**  trans-134.8110160.3-77.7178.2000111.2V386V386-L388 HydrophobicContact CG1-CG 4.03Å
389T30.3Very low31.6Very low130 Ų130137.6 Ų137.680%0.79879%0.789SS**  trans-85.3139.9161.748.60000110.3
390V26.5Very low31.9Very low142 Ų142137.1 Ų137.186%0.86179%0.789SS**  trans166.3142.6161.8147.80000105.5
391S25.6Very low32.1Very low97 Ų97138 Ų13868%0.67879%0.793SS**  cis-160.9165.5-24-86.60000106.2E393S391-E393 PolarHBondContact O-N 3.2Å
392P43.2Very low32.6Very low133 Ų133138.8 Ų138.886%0.86478%0.784SS**  trans-90.4107.1-175.333.6-31.5000113.1
393E33.1Very low32.7Very low195 Ų195140.4 Ų140.491%0.91179%0.792SS**  trans-149.8155.5158.6-146.8-178.4148.500111S391S391-E393 PolarHBondContact O-N 3.2Å
394E32.3Very low33Very low185 Ų185141.5 Ų141.586%0.86480%0.801SS**  trans98.3122.1173.9-148167173.200117.7
395P38.2Very low33.2Very low114 Ų114143 Ų14374%0.7481%0.808SS**PPolyproline II helixtrans-93.5153-169.136.3-36.3000115.1
396P49.6Very low33.3Very low119 Ų119143.1 Ų143.177%0.77382%0.82SS**PPolyproline II helixtrans-76.5154.9175.431.9-35.2000113.5
397P35.8Very low33.6Very low123 Ų123149.2 Ų149.280%0.79983%0.83SS**PPolyproline II helixtrans-68156-173.626.2-35000114.7
398P33.5Very low33.7Very low135 Ų135146.5 Ų146.588%0.87782%0.823SS**SBendtrans-81.5145.2-162.132.2-36.7000114.2
399G36.3Very low34.4Very low78 Ų78144.6 Ų144.680%0.80482%0.821SS**  trans168.6-12.8169.300000118.6
400Q38.4Very low34.4Very low162 Ų162147.5 Ų147.576%0.75783%0.825SS**  trans-129.9108.8-179.3-73.2-175.7-35.700112.3F402Q400-F402 HydrophobicContact CB-CD2 4.3Å; Q400-F402 HydrophobicContact CB-CE2 3.99Å; Q400-F402 PolarHBondContact O-N 2.87Å
401L36.2Very low34.4Very low158 Ų158144.2 Ų144.283%0.82782%0.821SS**  trans-82.7100.4176.2-67.6170.7000110.5
402F39.6Very low35.1Very low167 Ų167145 Ų14573%0.73282%0.824SS**  trans-103.1109.1163.9-69.4-78.5000109.5Q400 L404Q400-F402 HydrophobicContact CB-CD2 4.3Å; Q400-F402 HydrophobicContact CB-CE2 3.99Å; Q400-F402 PolarHBondContact O-N 2.87Å; F402-L404 PolarHBondContact O-N 3.05Å; F402-L404 VanDerWaalsContact O-N 3.14Å
403F31.1Very low35.4Very low192 Ų192144.3 Ų144.384%0.84282%0.819SS**  trans-76.396.9171.7-78.7-81.4000110.2
404L34.9Very low35.2Very low166 Ų166144 Ų14487%0.86982%0.817SS**PPolyproline II helixtrans-79.8125.9164-72170.1000109.4F402 A406F402-L404 PolarHBondContact O-N 3.05Å; F402-L404 VanDerWaalsContact O-N 3.14Å; L404-A406 PolarHBondContact O-N 2.82Å
405Q32.6Very low35.7Very low193 Ų193140.2 Ų140.290%0.90281%0.809SS**PPolyproline II helixtrans-71.7124.7174.4-70.7178-10.700109.9
406A28.5Very low36.5Very low108 Ų108140.1 Ų140.189%0.89381%0.808SS**PPolyproline II helixtrans-69.9138176.200000111.4L404L404-A406 PolarHBondContact O-N 2.82Å
407R30.3Very low35.9Very low245 Ų245140.5 Ų140.593%0.92581%0.811SS**  trans-122.9132166.2-167175.3-179.6106.8-0.3108.2
408G28.7Very low35.7Very low68 Ų68138.9 Ų138.970%0.70181%0.808SS**  trans-71.8173.7-170.600000115.5
409P37.7Very low35.6Very low127 Ų127140.3 Ų140.383%0.82581%0.808SS**  trans-98.7179-161.239.3-37.7000116.1
410E30.7Very low35.5Very low190 Ų190142.6 Ų142.689%0.88881%0.806SS**  trans91.5133.4158.2-80.8-111.779.200121.6
411G26.8Very low35.7Very low74 Ų74141.2 Ų141.276%0.76381%0.812SS**  trans131.794.3160.600000119.1
412P40.7Very low35.3Very low114 Ų114136.9 Ų136.974%0.7481%0.805SS**  trans-124.2-176.4160.740.3-28.4000112.8
413P49Very low34.9Very low118 Ų118135.8 Ų135.877%0.76681%0.812SS**  cis-130.4173.3-33.338.4-22.6000114.3
414E28.6Very low35.3Very low187 Ų187132.8 Ų132.887%0.87481%0.809SS**  trans173.7165.1139-97.9-138.470.500114
415P43.2Very low35.7Very low106 Ų106130.6 Ų130.669%0.68881%0.805SS**  trans-121-145.9-157.147-31.5000115.5
416P53.8Low35.7Very low113 Ų113124.9 Ų124.973%0.73480%0.798SS**  -110.5-174.9-127.239.7-20.6000115.2
417P37.1Very low36.4Very low126 Ų126125.6 Ų125.682%0.81879%0.794SS**  -138164119.737.7-27000114.8
418A31.6Very low36.8Very low89 Ų89120.6 Ų120.674%0.73679%0.785SS**  trans-91.8160.8173.900000111.5
419D32.3Very low37.3Very low166 Ų166125.3 Ų125.389%0.88879%0.794SS**  trans-160.8138.7137.7-103.3-27.4000112.7
420T33.8Very low37.7Very low125 Ų125125 Ų12577%0.76780%0.795SS**  trans-135.4147.8171.6510000105.4
421P43Very low38.2Very low134 Ų134125.4 Ų125.487%0.8780%0.797SS**  -155-173.35940-18.2000115.8
422G27.1Very low38.8Very low66 Ų66125 Ų12568%0.6879%0.792SS**  trans160.565.5160.200000120.9
423T30.5Very low38.9Very low144 Ų144125.9 Ų125.988%0.88380%0.796SS**  trans76.7138.7146.8-48.50000120.3
424V40.4Very low38.8Very low129 Ų129125.7 Ų125.778%0.78280%0.795SS**  trans-128.5152.2-170.9-179.30000105.1
425P42.8Very low39.5Very low120 Ų120121.8 Ų121.878%0.77978%0.78SS**  -156.6136.754.439.3-14.9000121.9
426G32.3Very low39.9Very low74 Ų74121.5 Ų121.576%0.76378%0.776SS**  trans61.1180138.300000121.4
427P44.3Very low39.8Very low123 Ų123118.9 Ų118.980%0.79976%0.761SS**  cis-116.6-171.5-9.241.4-27.8000113.6
428D38.7Very low40.2Very low140 Ų140118.3 Ų118.375%0.74975%0.75SS**  trans-20.5133.7176.1-61.8-84.3000119.8
429D38.5Very low40.8Very low167 Ų167118.2 Ų118.289%0.89374%0.743SS**  -155.8124.9108.7-109.6-36.5000111.2
430S45.7Very low41.6Very low119 Ų119119.9 Ų119.983%0.83274%0.737SS**  trans-94108.9171.7-72.80000109.4
431E42.6Very low42Very low200 Ų200121 Ų12194%0.93574%0.737SS**  trans-123.4118.9163-133-172.9145.400111.8
432G39.2Very low42.2Very low64 Ų64123.4 Ų123.466%0.6673%0.73SS**  trans-62.7145.6-159.700000116.2P434G432-P434 WeakPolarHBondContact O-CD 3.36Å; G432-P434 VanDerWaalsContact O-N 3.14Å
433T42.2Very low43.5Very low133 Ų133131.4 Ų131.482%0.81674%0.74SS**  trans-44.3117.2146.426.70000109.1D435T433-D435 PolarHBondContact O-N 2.67Å
434P47Very low44.8Very low114 Ų114132.4 Ų132.474%0.7473%0.734SS**  trans-64.5126.6179.525.3-33.1000109.3G432 T436G432-P434 WeakPolarHBondContact O-CD 3.36Å; G432-P434 VanDerWaalsContact O-N 3.14Å; P434-T436 PolarHBondContact O-N 3.04Å; P434-T436 PolarHBondContact O-OG1 3.42Å
435D44.5Very low46.1Very low105 Ų105129.8 Ų129.856%0.56172%0.718SS**  trans-5192.4-174.9-93.2-58.1000113.2T433 S437 L438T433-D435 PolarHBondContact O-N 2.67Å; D435-S437 VanDerWaalsContact CB-OG 3.29Å; D435-S437 WeakPolarHBondContact CB-OG 3.42Å; D435-S437 PolarHBondContact O-N 3.14Å; D435-S437 PolarHBondContact OD1-OG 3.38Å; D435-L438 HydrophobicContact CB-CB 4.32Å; D435-L438 HydrophobicContact CB-CD1 3.98Å; D435-L438 HydrophobicContact CB-CG 3.96Å; D435-L438 PolarHBondContact O-N 2.96Å
436T49.6Very low48Very low100 Ų100127 Ų12761%0.61370%0.702SS**THydrogen-bonded Turntrans-64-10.8170.3-51.50000111.1P434P434-T436 PolarHBondContact O-N 3.04Å; P434-T436 PolarHBondContact O-OG1 3.42Å
437S53.1Low50.4Low59 Ų59130 Ų13041%0.41370%0.696SS.*THydrogen-bonded Turntrans-69.3-42.5169.557.90000112.9D435 R440D435-S437 VanDerWaalsContact CB-OG 3.29Å; D435-S437 WeakPolarHBondContact CB-OG 3.42Å; D435-S437 PolarHBondContact O-N 3.14Å; D435-S437 PolarHBondContact OD1-OG 3.38Å; S437-R440 PolarHBondContact O-N 3.37Å
438L45Very low52.3Low114 Ų114129 Ų12960%0.59768%0.683SS**G310 helixtrans-71.8-32.6-175.8-72.9176.6000112.8D435 R440 L441D435-L438 HydrophobicContact CB-CB 4.32Å; D435-L438 HydrophobicContact CB-CD1 3.98Å; D435-L438 HydrophobicContact CB-CG 3.96Å; D435-L438 PolarHBondContact O-N 2.96Å; L438-R440 PolarHBondContact O-N 3.12Å; L438-L441 PolarHBondContact O-N 2.8Å
439C45.2Very low54.6Low86 Ų86127.6 Ų127.658%0.58167%0.671SS**G310 helixtrans-65.1-16174.1-65.50000113.3
440R48.5Very low56.9Low202 Ų202124.2 Ų124.276%0.76265%0.653SS**G310 helixtrans-87.8-13.2176.6-67.7178.9175.3152.70.4114S437 L438S437-R440 PolarHBondContact O-N 3.37Å; L438-R440 PolarHBondContact O-N 3.12Å
441L42.4Very low58.8Low148 Ų148122.1 Ų122.178%0.77563%0.63SS**THydrogen-bonded Turntrans-81.6-27173.6-10375.6000112.7L438 R443L438-L441 PolarHBondContact O-N 2.8Å; L441-R443 PolarHBondContact O-N 3.25Å; L441-R443 VanDerWaalsContact O-N 3.09Å
442Y46.6Very low60.8Low185 Ų185117.1 Ų117.173%0.72561%0.608SS**SBendtrans-70.6103.6163-104-96.9000108.5H444Y442-H444 VanDerWaalsContact C-N 3.3Å; Y442-H444 PolarHBondContact O-N 2.73Å
443R54.9Low63Low233 Ų233121.3 Ų121.388%0.87960%0.604SS**  trans-60.197.5165.2-85.2-171.7163.3107.3-1.2108L441 V445L441-R443 PolarHBondContact O-N 3.25Å; L441-R443 VanDerWaalsContact O-N 3.09Å; R443-V445 PolarHBondContact O-N 2.83Å
444H58.3Low65Low166 Ų166120.8 Ų120.877%0.76959%0.591SS**  trans-59.595.1161.3-71.3-71.3000107.5Y442 S446Y442-H444 VanDerWaalsContact C-N 3.3Å; Y442-H444 PolarHBondContact O-N 2.73Å; H444-S446 PolarHBondContact O-N 3.42Å
445V67.2Low66.7Low73 Ų73120.7 Ų120.744%0.44258%0.578SS.*  trans-59119.7167.5-177.20000105.7R443 F449 L450R443-V445 PolarHBondContact O-N 2.83Å; V445-F449 HydrophobicContact CG1-CB 3.87Å; V445-F449 HydrophobicContact CG1-CD1 3.15Å; V445-F449 HydrophobicContact CG1-CE1 3.87Å; V445-F449 HydrophobicContact CG1-CG 3.75Å; V445-L450 HydrophobicContact CB-CD2 4.42Å; V445-L450 HydrophobicContact CB-CG 4.42Å; V445-L450 HydrophobicContact CG1-CD2 3.77Å; V445-L450 HydrophobicContact CG1-CG 3.83Å
446S81.8Confident68.5Low62 Ų62119.8 Ų119.843%0.43457%0.573SS.*  trans-58.5146.6-176.357.50000110.2H444 D448 F449 L450H444-S446 PolarHBondContact O-N 3.42Å; S446-D448 PolarHBondContact O-N 2.98Å; S446-F449 WeakPolarHBondContact O-CB 3.34Å; S446-F449 PolarHBondContact O-N 2.85Å; S446-F449 WeakPolarHBondContact OG-CB 3.34Å; S446-F449 PolarHBondContact OG-N 3.12Å; S446-L450 PolarHBondContact O-N 3.18Å; S446-L450 VanDerWaalsContact O-N 3.09Å
447H82.4Confident69.9Low137 Ų137120.7 Ų120.763%0.63457%0.57SS**Hα-helixtrans-49.3-45.7172.6179.2-86.4000110F449 L450 E451H447-F449 VanDerWaalsContact C-N 3.33Å; H447-F449 PolarHBondContact O-N 2.92Å; H447-L450 PolarHBondContact O-N 3.09Å; H447-L450 VanDerWaalsContact O-N 3.08Å; H447-E451 IonicContact CE1-OE2 3.55Å; H447-E451 PolarHBondContact CE1-OE2 2.81Å; H447-E451 VanDerWaalsContact CE1-OE2 3.27Å; H447-E451 IonicContact ND1-OE2 3.06Å; H447-E451 PolarHBondContact ND1-OE2 2.91Å; H447-E451 WeakPolarHBondContact O-CB 3.41Å; H447-E451 PolarHBondContact O-N 3.33Å
448D84.4Confident70.8Confident101 Ų101124.4 Ų124.454%0.5458%0.575SS.*Hα-helixtrans-55.6-40.9175.6-48.3-12.7000113.1S446 E451 I452S446-D448 PolarHBondContact O-N 2.98Å; D448-E451 PolarHBondContact O-N 3.08Å; D448-I452 WeakPolarHBondContact O-CB 3.49Å; D448-I452 WeakPolarHBondContact O-CD1 3.37Å; D448-I452 WeakPolarHBondContact O-CG1 3.49Å; D448-I452 PolarHBondContact O-N 3.46Å
449F87.1Confident72Confident112 Ų112124.5 Ų124.549%0.49158%0.576SS.*Hα-helixtrans-68.2-40.6176.5178.6-79.9000111.6V445 S446 H447 E451 R453V445-F449 HydrophobicContact CG1-CB 3.87Å; V445-F449 HydrophobicContact CG1-CD1 3.15Å; V445-F449 HydrophobicContact CG1-CE1 3.87Å; V445-F449 HydrophobicContact CG1-CG 3.75Å; S446-F449 WeakPolarHBondContact O-CB 3.34Å; S446-F449 PolarHBondContact O-N 2.85Å; S446-F449 WeakPolarHBondContact OG-CB 3.34Å; S446-F449 PolarHBondContact OG-N 3.12Å; H447-F449 VanDerWaalsContact C-N 3.33Å; H447-F449 PolarHBondContact O-N 2.92Å; F449-E451 VanDerWaalsContact C-N 3.34Å; F449-R453 WeakPolarHBondContact O-CB 3.47Å; F449-R453 PolarHBondContact O-N 3.09Å
450L86.7Confident73.2Confident96 Ų96126.9 Ų126.950%0.50358%0.582SS.*Hα-helixtrans-65.6-40.3175.5-66.1176.6000111V445 S446 H447 R453 F454V445-L450 HydrophobicContact CB-CD2 4.42Å; V445-L450 HydrophobicContact CB-CG 4.42Å; V445-L450 HydrophobicContact CG1-CD2 3.77Å; V445-L450 HydrophobicContact CG1-CG 3.83Å; S446-L450 PolarHBondContact O-N 3.18Å; S446-L450 VanDerWaalsContact O-N 3.09Å; H447-L450 PolarHBondContact O-N 3.09Å; H447-L450 VanDerWaalsContact O-N 3.08Å; L450-R453 PolarHBondContact O-N 2.95Å; L450-F454 VanDerWaalsContact O-CB 3.29Å; L450-F454 WeakPolarHBondContact O-CB 3.5Å; L450-F454 PolarHBondContact O-N 3.44Å
451E86.6Confident74.2Confident75 Ų75122.3 Ų122.335%0.3557%0.569SS.*Hα-helixtrans-68.9-42177.8-164.9-174.7153.300111.8H447 D448 F449 F454 K455H447-E451 IonicContact CE1-OE2 3.55Å; H447-E451 PolarHBondContact CE1-OE2 2.81Å; H447-E451 VanDerWaalsContact CE1-OE2 3.27Å; H447-E451 IonicContact ND1-OE2 3.06Å; H447-E451 PolarHBondContact ND1-OE2 2.91Å; H447-E451 WeakPolarHBondContact O-CB 3.41Å; H447-E451 PolarHBondContact O-N 3.33Å; D448-E451 PolarHBondContact O-N 3.08Å; F449-E451 VanDerWaalsContact C-N 3.34Å; E451-F454 PolarHBondContact O-N 3.17Å; E451-K455 HydrophobicContact CG-CD 4.31Å; E451-K455 WeakPolarHBondContact O-CB 3.32Å; E451-K455 VanDerWaalsContact O-CG 3.25Å; E451-K455 WeakPolarHBondContact O-CG 3.27Å; E451-K455 PolarHBondContact O-N 3.4Å; E451-K455 WeakPolarHBondContact OE1-CE 3.42Å; E451-K455 IonicContact OE1-NZ 2.85Å; E451-K455 PolarHBondContact OE1-NZ 3.34Å
452I84.4Confident75Confident94 Ų94120.6 Ų120.648%0.48257%0.567SS.*Hα-helixtrans-62.9-45.6172.2-72.3164000110D448 F454 K455 I456D448-I452 WeakPolarHBondContact O-CB 3.49Å; D448-I452 WeakPolarHBondContact O-CD1 3.37Å; D448-I452 WeakPolarHBondContact O-CG1 3.49Å; D448-I452 PolarHBondContact O-N 3.46Å; I452-F454 VanDerWaalsContact C-N 3.33Å; I452-F454 PolarHBondContact O-N 3.5Å; I452-K455 PolarHBondContact O-N 3.41Å; I452-I456 HydrophobicContact CG2-CD1 3.65Å; I452-I456 HydrophobicContact CG2-CG1 4.37Å; I452-I456 WeakPolarHBondContact O-CB 3.29Å; I452-I456 VanDerWaalsContact O-CG1 3.24Å; I452-I456 WeakPolarHBondContact O-CG1 3.18Å; I452-I456 PolarHBondContact O-N 3.11Å
453R86.3Confident75.7Confident152 Ų152116.9 Ų116.957%0.57455%0.552SS**Hα-helixtrans-59.5-43.7175.5-179.7179.5176.9131.21.1111.3F449 L450 I456 Q457F449-R453 WeakPolarHBondContact O-CB 3.47Å; F449-R453 PolarHBondContact O-N 3.09Å; L450-R453 PolarHBondContact O-N 2.95Å; R453-I456 PolarHBondContact O-N 3.26Å; R453-Q457 VanDerWaalsContact O-CB 3.26Å; R453-Q457 WeakPolarHBondContact O-CB 3.39Å; R453-Q457 PolarHBondContact O-N 3.14Å
454F83.4Confident76.4Confident123 Ų123112.4 Ų112.454%0.53954%0.541SS..Hα-helixtrans-67.4-43.2177.9-174.6-105000111.9L450 E451 I452 I456 Q457 R458L450-F454 VanDerWaalsContact O-CB 3.29Å; L450-F454 WeakPolarHBondContact O-CB 3.5Å; L450-F454 PolarHBondContact O-N 3.44Å; E451-F454 PolarHBondContact O-N 3.17Å; I452-F454 VanDerWaalsContact C-N 3.33Å; I452-F454 PolarHBondContact O-N 3.5Å; F454-I456 PolarHBondContact O-N 3.04Å; F454-Q457 PolarHBondContact O-N 3.34Å; F454-R458 HydrophobicContact CD1-CG 4.33Å; F454-R458 HydrophobicContact CE1-CG 4.02Å; F454-R458 HydrophobicContact CE2-CG 4.42Å; F454-R458 HydrophobicContact CZ-CG 4.08Å; F454-R458 WeakPolarHBondContact O-CB 3.29Å; F454-R458 WeakPolarHBondContact O-CG 3.24Å; F454-R458 PolarHBondContact O-N 3.33Å
455K82.4Confident76.9Confident111 Ų111110.9 Ų110.948%0.48353%0.529SS..Hα-helixtrans-60.1-45.2173.6-76.5170179.8170.30111.6E451 I452 R458 L459E451-K455 HydrophobicContact CG-CD 4.31Å; E451-K455 WeakPolarHBondContact O-CB 3.32Å; E451-K455 VanDerWaalsContact O-CG 3.25Å; E451-K455 WeakPolarHBondContact O-CG 3.27Å; E451-K455 PolarHBondContact O-N 3.4Å; E451-K455 WeakPolarHBondContact OE1-CE 3.42Å; E451-K455 IonicContact OE1-NZ 2.85Å; E451-K455 PolarHBondContact OE1-NZ 3.34Å; I452-K455 PolarHBondContact O-N 3.41Å; K455-R458 PolarHBondContact O-N 3.47Å; K455-L459 VanDerWaalsContact O-CG 3.27Å; K455-L459 WeakPolarHBondContact O-CG 3.36Å; K455-L459 PolarHBondContact O-N 3.03Å
456I83.1Confident77Confident86 Ų86110.3 Ų110.344%0.44152%0.522SS..Hα-helixtrans-61.4-46.4173.8-71168.7000110.2I452 R453 F454 R458 L459 L460I452-I456 HydrophobicContact CG2-CD1 3.65Å; I452-I456 HydrophobicContact CG2-CG1 4.37Å; I452-I456 WeakPolarHBondContact O-CB 3.29Å; I452-I456 VanDerWaalsContact O-CG1 3.24Å; I452-I456 WeakPolarHBondContact O-CG1 3.18Å; I452-I456 PolarHBondContact O-N 3.11Å; R453-I456 PolarHBondContact O-N 3.26Å; F454-I456 PolarHBondContact O-N 3.04Å; I456-R458 VanDerWaalsContact C-N 3.34Å; I456-R458 PolarHBondContact O-N 3.17Å; I456-L459 PolarHBondContact O-N 2.82Å; I456-L460 HydrophobicContact CG2-CD1 3.59Å; I456-L460 HydrophobicContact CG2-CG 4.14Å; I456-L460 WeakPolarHBondContact O-CB 3.33Å; I456-L460 WeakPolarHBondContact O-CG 3.26Å; I456-L460 PolarHBondContact O-N 3.33Å
457Q77.9Confident76.5Confident120 Ų120110.7 Ų110.756%0.56152%0.519SS*.Hα-helixtrans-60.3-41.9178.1-172.2169.6-12.100111.6R453 F454 L459 L460 E461R453-Q457 VanDerWaalsContact O-CB 3.26Å; R453-Q457 WeakPolarHBondContact O-CB 3.39Å; R453-Q457 PolarHBondContact O-N 3.14Å; F454-Q457 PolarHBondContact O-N 3.34Å; Q457-L459 VanDerWaalsContact C-N 3.29Å; Q457-L459 PolarHBondContact O-N 3.18Å; Q457-L460 PolarHBondContact O-N 3.42Å; Q457-E461 VanDerWaalsContact O-CB 3.32Å; Q457-E461 WeakPolarHBondContact O-CB 3.32Å; Q457-E461 PolarHBondContact O-N 3.5Å
458R71.8Confident76.4Confident136 Ų136111 Ų11151%0.51353%0.525SS..Hα-helixtrans-71.8-14.9174.2-68.6-149.872.9-167.23.5114.9F454 K455 I456 E461 R463F454-R458 HydrophobicContact CD1-CG 4.33Å; F454-R458 HydrophobicContact CE1-CG 4.02Å; F454-R458 HydrophobicContact CE2-CG 4.42Å; F454-R458 HydrophobicContact CZ-CG 4.08Å; F454-R458 WeakPolarHBondContact O-CB 3.29Å; F454-R458 WeakPolarHBondContact O-CG 3.24Å; F454-R458 PolarHBondContact O-N 3.33Å; K455-R458 PolarHBondContact O-N 3.47Å; I456-R458 VanDerWaalsContact C-N 3.34Å; I456-R458 PolarHBondContact O-N 3.17Å; R458-E461 IonicContact NE-OE2 3.64Å; R458-R463 PolarHBondContact O-NE 3.4Å; R458-R463 PolarHBondContact O-NH2 3.42Å
459L69.8Low76.3Confident116 Ų116109.2 Ų109.261%0.60752%0.515SS*.Hα-helixtrans-90.9-34.1172.9-73.9166.7000111.8K455 I456 Q457K455-L459 VanDerWaalsContact O-CG 3.27Å; K455-L459 WeakPolarHBondContact O-CG 3.36Å; K455-L459 PolarHBondContact O-N 3.03Å; I456-L459 PolarHBondContact O-N 2.82Å; Q457-L459 VanDerWaalsContact C-N 3.29Å; Q457-L459 PolarHBondContact O-N 3.18Å
460L70.4Confident76.4Confident136 Ų136107.2 Ų107.271%0.71251%0.513SS*.Hα-helixtrans-81.4-20174.4-65.5176000113I456 Q457 P462I456-L460 HydrophobicContact CG2-CD1 3.59Å; I456-L460 HydrophobicContact CG2-CG 4.14Å; I456-L460 WeakPolarHBondContact O-CB 3.33Å; I456-L460 WeakPolarHBondContact O-CG 3.26Å; I456-L460 PolarHBondContact O-N 3.33Å; Q457-L460 PolarHBondContact O-N 3.42Å; L460-P462 WeakPolarHBondContact O-CD 3.35Å
461E69.7Low76.4Confident106 Ų106107.3 Ų107.350%0.49551%0.511SS..SBendtrans-54.1124.2171.4-174170.3-150.100109.8Q457 R458 R463Q457-E461 VanDerWaalsContact O-CB 3.32Å; Q457-E461 WeakPolarHBondContact O-CB 3.32Å; Q457-E461 PolarHBondContact O-N 3.5Å; R458-E461 IonicContact NE-OE2 3.64Å; E461-R463 VanDerWaalsContact C-N 3.31Å; E461-R463 PolarHBondContact O-N 2.92Å
462P59.7Low76.5Confident112 Ų112109.7 Ų109.773%0.72752%0.522SS*.  trans-64.585.2-175.9-24.535.3000112.8L460 Q464L460-P462 WeakPolarHBondContact O-CD 3.35Å; P462-Q464 PolarHBondContact O-N 3.49Å
463R61.4Low76.8Confident108 Ų108107.3 Ų107.341%0.40851%0.512SS..  trans-64.9108.4-179.5-72.1145.2170.1-134.88.1109.9R458 E461 Y465R458-R463 PolarHBondContact O-NE 3.4Å; R458-R463 PolarHBondContact O-NH2 3.42Å; E461-R463 VanDerWaalsContact C-N 3.31Å; E461-R463 PolarHBondContact O-N 2.92Å; R463-Y465 HydrophobicContact CB-CD1 4.41Å; R463-Y465 HydrophobicContact CB-CD2 3.61Å; R463-Y465 HydrophobicContact CB-CE1 4.13Å; R463-Y465 HydrophobicContact CB-CE2 3.29Å; R463-Y465 HydrophobicContact CB-CG 4.17Å; R463-Y465 WeakPolarHBondContact CD-OH 3.49Å; R463-Y465 HydrophobicContact CG-CE1 4.5Å; R463-Y465 HydrophobicContact CG-CE2 3.88Å; R463-Y465 PolarHBondContact NH1-OH 3.25Å; R463-Y465 PolarHBondContact O-N 2.99Å
464Q69.1Low76.9Confident139 Ų139100.1 Ų100.165%0.6548%0.484SS*.  trans-7542.5-177.6-59.6179.2-7.100112.8P462 M466 L467P462-Q464 PolarHBondContact O-N 3.49Å; Q464-M466 PolarHBondContact O-N 2.94Å; Q464-L467 HydrophobicContact CB-CB 4.49Å; Q464-L467 HydrophobicContact CB-CD1 4.07Å; Q464-L467 HydrophobicContact CB-CG 4.31Å; Q464-L467 HydrophobicContact CG-CD1 4.46Å; Q464-L467 PolarHBondContact O-N 2.99Å
465Y68.8Low77.2Confident133 Ų13395.9 Ų95.952%0.52247%0.469SS..G310 helixtrans-54.6-31.7-174.2-67.1-53000113.9R463 L467 L468R463-Y465 HydrophobicContact CB-CD1 4.41Å; R463-Y465 HydrophobicContact CB-CD2 3.61Å; R463-Y465 HydrophobicContact CB-CE1 4.13Å; R463-Y465 HydrophobicContact CB-CE2 3.29Å; R463-Y465 HydrophobicContact CB-CG 4.17Å; R463-Y465 WeakPolarHBondContact CD-OH 3.49Å; R463-Y465 HydrophobicContact CG-CE1 4.5Å; R463-Y465 HydrophobicContact CG-CE2 3.88Å; R463-Y465 PolarHBondContact NH1-OH 3.25Å; R463-Y465 PolarHBondContact O-N 2.99Å; Y465-L467 VanDerWaalsContact C-N 3.28Å; Y465-L467 PolarHBondContact O-N 3.25Å; Y465-L468 PolarHBondContact O-N 3.35Å
466M69.6Low77.5Confident61 Ų6197.1 Ų97.130%0.347%0.474SS..G310 helixtrans-68.6-20.6176.3-68.2-129.4-50.600114.3Q464 L468 L474 F478 L489 F496Q464-M466 PolarHBondContact O-N 2.94Å; M466-L468 VanDerWaalsContact C-N 3.3Å; M466-L474 HydrophobicContact CB-CD2 4.27Å; M466-L474 WeakPolarHBondContact O-CD1 3.47Å; M466-L474 WeakPolarHBondContact O-CD2 3.46Å; M466-L474 HydrophobicContact SD-CD2 4.26Å; M466-F478 HydrophobicContact CE-CE1 3.78Å; M466-F478 HydrophobicContact CE-CZ 4.21Å; M466-L489 HydrophobicContact CE-CD2 4.04Å; M466-F496 HydrophobicContact CB-CE1 4.19Å; M466-F496 HydrophobicContact CB-CE2 4.44Å; M466-F496 HydrophobicContact CB-CZ 3.57Å; M466-F496 HydrophobicContact CE-CD2 4.32Å; M466-F496 HydrophobicContact CE-CE1 4.26Å; M466-F496 HydrophobicContact CE-CE2 3.69Å; M466-F496 HydrophobicContact CE-CZ 3.67Å
467L72.1Confident77.9Confident71 Ų7196 Ų9637%0.37247%0.468SS..G310 helixtrans-81.4-11.5173.9-61.6-177.9000112.8Q464 Y465 H495 F496Q464-L467 HydrophobicContact CB-CB 4.49Å; Q464-L467 HydrophobicContact CB-CD1 4.07Å; Q464-L467 HydrophobicContact CB-CG 4.31Å; Q464-L467 HydrophobicContact CG-CD1 4.46Å; Q464-L467 PolarHBondContact O-N 2.99Å; Y465-L467 VanDerWaalsContact C-N 3.28Å; Y465-L467 PolarHBondContact O-N 3.25Å; L467-H495 HydrophobicContact CD2-CB 4.49Å; L467-F496 HydrophobicContact CD2-CE1 3.65Å; L467-F496 HydrophobicContact CD2-CZ 3.63Å; L467-F496 HydrophobicContact CG-CZ 4.35Å
468L79.6Confident78.4Confident143 Ų14390.3 Ų90.375%0.74944%0.442SS*.G310 helixtrans-93.9-5175.7-59173.8000112.5Y465 M466Y465-L468 PolarHBondContact O-N 3.35Å; M466-L468 VanDerWaalsContact C-N 3.3Å
469L83.4Confident79.1Confident64 Ų6486.1 Ų86.134%0.33543%0.433SS..SBendtrans-83.8137.3179-69.2176.9000110.7V473 L474 I477L469-V473 HydrophobicContact CD2-CG1 4.49Å; L469-L474 HydrophobicContact CB-CD1 4.45Å; L469-L474 HydrophobicContact CB-CD2 3.99Å; L469-L474 HydrophobicContact CB-CG 3.91Å; L469-L474 HydrophobicContact CD1-CD2 3.98Å; L469-I477 HydrophobicContact CD1-CD1 3.79Å
470P88.4Confident80Confident69 Ų6988 Ų8845%0.44844%0.437SS..  trans-57.6145.1171.9-24.333.8000112.3H472 V473 L474P470-H472 VanDerWaalsContact C-N 3.25Å; P470-H472 VanDerWaalsContact CB-CE1 3.49Å; P470-H472 WeakPolarHBondContact CB-CE1 3.43Å; P470-H472 PolarHBondContact O-N 2.98Å; P470-H472 VanDerWaalsContact O-N 3.14Å; P470-V473 HydrophobicContact CB-CG2 4.24Å; P470-V473 HydrophobicContact CG-CG2 4.35Å; P470-V473 WeakPolarHBondContact O-CA 3.32Å; P470-V473 WeakPolarHBondContact O-CB 3.46Å; P470-V473 PolarHBondContact O-N 3.24Å; P470-L474 PolarHBondContact O-N 2.93Å; P470-L474 VanDerWaalsContact O-N 3.14Å
471E87.1Confident80.7Confident98 Ų9883.6 Ų83.646%0.45841%0.414SS..Hα-helixtrans-54.5-39.2-175.4-59.9-170.3155.400113.1V473 L474 V475 I499 F503E471-V473 PolarHBondContact O-N 3.24Å; E471-L474 PolarHBondContact O-N 3.2Å; E471-L474 VanDerWaalsContact O-N 3.16Å; E471-V475 WeakPolarHBondContact O-CG2 3.35Å; E471-V475 PolarHBondContact O-N 2.84Å; E471-I499 HydrophobicContact CG-CD1 4.19Å; E471-F503 HydrophobicContact CB-CE2 4.3Å
472H88Confident80.8Confident125 Ų12581.4 Ų81.458%0.57941%0.409SS*.Hα-helixtrans-64.9-27178.570.5-99.5000113.3P470 K476P470-H472 VanDerWaalsContact C-N 3.25Å; P470-H472 VanDerWaalsContact CB-CE1 3.49Å; P470-H472 WeakPolarHBondContact CB-CE1 3.43Å; P470-H472 PolarHBondContact O-N 2.98Å; P470-H472 VanDerWaalsContact O-N 3.14Å; H472-K476 WeakPolarHBondContact O-CG 3.35Å; H472-K476 PolarHBondContact O-N 3.39Å
473V90.3Very high81.3Confident45 Ų4577.2 Ų77.227%0.27338%0.381SS..Hα-helixtrans-76.6-44.3173.2-175.50000109.5L469 P470 E471 V475 K476 I477L469-V473 HydrophobicContact CD2-CG1 4.49Å; P470-V473 HydrophobicContact CB-CG2 4.24Å; P470-V473 HydrophobicContact CG-CG2 4.35Å; P470-V473 WeakPolarHBondContact O-CA 3.32Å; P470-V473 WeakPolarHBondContact O-CB 3.46Å; P470-V473 PolarHBondContact O-N 3.24Å; E471-V473 PolarHBondContact O-N 3.24Å; V473-V475 PolarHBondContact O-N 2.91Å; V473-K476 PolarHBondContact O-N 3.24Å; V473-I477 HydrophobicContact CG1-CD1 3.92Å; V473-I477 HydrophobicContact CG1-CG1 4.46Å; V473-I477 WeakPolarHBondContact O-CG1 3.06Å; V473-I477 PolarHBondContact O-N 3.15Å
474L89.8Confident81.8Confident0 Ų082.7 Ų82.70%040%0.402CS..Hα-helixtrans-59.6-44.4175.7-70.2172.4000112M466 L469 P470 E471 K476 I477 F478 F496 I499M466-L474 HydrophobicContact CB-CD2 4.27Å; M466-L474 WeakPolarHBondContact O-CD1 3.47Å; M466-L474 WeakPolarHBondContact O-CD2 3.46Å; M466-L474 HydrophobicContact SD-CD2 4.26Å; L469-L474 HydrophobicContact CB-CD1 4.45Å; L469-L474 HydrophobicContact CB-CD2 3.99Å; L469-L474 HydrophobicContact CB-CG 3.91Å; L469-L474 HydrophobicContact CD1-CD2 3.98Å; P470-L474 PolarHBondContact O-N 2.93Å; P470-L474 VanDerWaalsContact O-N 3.14Å; E471-L474 PolarHBondContact O-N 3.2Å; E471-L474 VanDerWaalsContact O-N 3.16Å; L474-K476 VanDerWaalsContact C-N 3.34Å; L474-K476 PolarHBondContact O-N 2.96Å; L474-I477 PolarHBondContact O-N 2.97Å; L474-F478 HydrophobicContact CB-CE2 4.1Å; L474-F478 HydrophobicContact CB-CZ 4.19Å; L474-F478 HydrophobicContact CD2-CE1 4.27Å; L474-F478 HydrophobicContact CD2-CZ 4.02Å; L474-F478 VanDerWaalsContact O-CB 3.28Å; L474-F478 WeakPolarHBondContact O-CB 3.45Å; L474-F478 WeakPolarHBondContact O-CD1 3.28Å; L474-F478 WeakPolarHBondContact O-CD2 3.43Å; L474-F478 WeakPolarHBondContact O-CG 3.08Å; L474-F478 PolarHBondContact O-N 2.76Å; L474-F496 HydrophobicContact CD1-CE1 4.22Å; L474-F496 HydrophobicContact CD2-CE1 4.36Å; L474-I499 HydrophobicContact CB-CD1 4.37Å; L474-I499 HydrophobicContact CD1-CD1 3.62Å
475V89.6Confident82.2Confident35 Ų3577.5 Ų77.521%0.21238%0.383CS..Hα-helixtrans-58.6-43.61751680000111.5E471 V473 S479 I499 F503 V505E471-V475 WeakPolarHBondContact O-CG2 3.35Å; E471-V475 PolarHBondContact O-N 2.84Å; V473-V475 PolarHBondContact O-N 2.91Å; V475-S479 WeakPolarHBondContact O-CB 3.38Å; V475-S479 PolarHBondContact O-N 3.28Å; V475-I499 HydrophobicContact CG2-CG2 3.72Å; V475-F503 HydrophobicContact CG1-CB 4.36Å; V475-F503 HydrophobicContact CG2-CB 3.74Å; V475-F503 HydrophobicContact CG2-CD1 4.28Å; V475-F503 HydrophobicContact CG2-CD2 3.47Å; V475-F503 VanDerWaalsContact CG2-CD2 3.47Å; V475-F503 HydrophobicContact CG2-CE2 4.13Å; V475-F503 HydrophobicContact CG2-CG 3.56Å; V475-V505 HydrophobicContact CB-CG2 4.5Å; V475-V505 HydrophobicContact CG1-CG2 4.12Å; V475-V505 HydrophobicContact CG2-CG2 4.24Å
476K89.1Confident82.6Confident137 Ų13771.2 Ų71.260%0.59636%0.358SS*.Hα-helixtrans-62.1-50.9174.3-78.3-179.6178.3179.40111.4H472 V473 L474 F478 S479 F480H472-K476 WeakPolarHBondContact O-CG 3.35Å; H472-K476 PolarHBondContact O-N 3.39Å; V473-K476 PolarHBondContact O-N 3.24Å; L474-K476 VanDerWaalsContact C-N 3.34Å; L474-K476 PolarHBondContact O-N 2.96Å; K476-F478 VanDerWaalsContact C-N 3.32Å; K476-F478 PolarHBondContact O-N 3.41Å; K476-S479 PolarHBondContact O-N 2.9Å; K476-S479 VanDerWaalsContact O-N 3.14Å; K476-S479 PolarHBondContact O-OG 2.82Å; K476-F480 WeakPolarHBondContact O-CD2 3.24Å
477I89.9Confident82.9Confident62 Ų6270.3 Ų70.332%0.31836%0.361SS..Hα-helixtrans-55.6-48.7177.9-67.8166.6000110.5L469 V473 L474 S479 F480L469-I477 HydrophobicContact CD1-CD1 3.79Å; V473-I477 HydrophobicContact CG1-CD1 3.92Å; V473-I477 HydrophobicContact CG1-CG1 4.46Å; V473-I477 WeakPolarHBondContact O-CG1 3.06Å; V473-I477 PolarHBondContact O-N 3.15Å; L474-I477 PolarHBondContact O-N 2.97Å; I477-S479 VanDerWaalsContact C-N 3.3Å; I477-S479 PolarHBondContact O-N 3.49Å; I477-F480 PolarHBondContact O-N 2.97Å; I477-F480 VanDerWaalsContact O-N 3.12Å
478F89.6Confident83Confident0 Ų069.5 Ų69.50%036%0.364CS..Hα-helixtrans-64.3-32-179.6-65.3-9.5000112.6M466 L474 K476 F480 L481 L486 L489 F496 I499 I500 V505M466-F478 HydrophobicContact CE-CE1 3.78Å; M466-F478 HydrophobicContact CE-CZ 4.21Å; L474-F478 HydrophobicContact CB-CE2 4.1Å; L474-F478 HydrophobicContact CB-CZ 4.19Å; L474-F478 HydrophobicContact CD2-CE1 4.27Å; L474-F478 HydrophobicContact CD2-CZ 4.02Å; L474-F478 VanDerWaalsContact O-CB 3.28Å; L474-F478 WeakPolarHBondContact O-CB 3.45Å; L474-F478 WeakPolarHBondContact O-CD1 3.28Å; L474-F478 WeakPolarHBondContact O-CD2 3.43Å; L474-F478 WeakPolarHBondContact O-CG 3.08Å; L474-F478 PolarHBondContact O-N 2.76Å; K476-F478 VanDerWaalsContact C-N 3.32Å; K476-F478 PolarHBondContact O-N 3.41Å; F478-F480 PolarHBondContact O-N 2.69Å; F478-L481 HydrophobicContact CD1-CD1 3.94Å; F478-L481 PolarHBondContact O-N 3Å; F478-L481 VanDerWaalsContact O-N 3.11Å; F478-L486 HydrophobicContact CB-CD2 3.77Å; F478-L486 HydrophobicContact CG-CD2 4.2Å; F478-L489 HydrophobicContact CD1-CD1 3.89Å; F478-L489 HydrophobicContact CE1-CD1 3.77Å; F478-L489 HydrophobicContact CZ-CD1 4.48Å; F478-F496 HydrophobicContact CE2-CB 4.17Å; F478-F496 HydrophobicContact CE2-CD1 4.1Å; F478-F496 HydrophobicContact CE2-CG 4.32Å; F478-F496 HydrophobicContact CZ-CB 4.07Å; F478-F496 AromaticContact CZ-CD1 3.6Å; F478-F496 HydrophobicContact CZ-CD1 3.6Å; F478-F496 HydrophobicContact CZ-CD2 4.48Å; F478-F496 HydrophobicContact CZ-CE1 4.16Å; F478-F496 AromaticContact CZ-CG 3.8Å; F478-F496 HydrophobicContact CZ-CG 3.8Å; F478-I499 HydrophobicContact CD2-CG2 4.05Å; F478-I499 HydrophobicContact CE2-CB 4.37Å; F478-I499 HydrophobicContact CE2-CG2 3.94Å; F478-I500 HydrophobicContact CD2-CD1 4.17Å; F478-I500 HydrophobicContact CD2-CG1 3.6Å; F478-I500 HydrophobicContact CE2-CD1 4.38Å; F478-I500 HydrophobicContact CE2-CG1 4.04Å; F478-I500 HydrophobicContact CG-CG1 4.33Å; F478-V505 HydrophobicContact CB-CB 4.49Å; F478-V505 HydrophobicContact CB-CG1 3.73Å
479S86.6Confident83.1Confident49 Ų4964 Ų6434%0.34334%0.336SS..Hα-helixtrans-66.3-19175.475.80000114.3V475 K476 I477 T508V475-S479 WeakPolarHBondContact O-CB 3.38Å; V475-S479 PolarHBondContact O-N 3.28Å; K476-S479 PolarHBondContact O-N 2.9Å; K476-S479 VanDerWaalsContact O-N 3.14Å; K476-S479 PolarHBondContact O-OG 2.82Å; I477-S479 VanDerWaalsContact C-N 3.3Å; I477-S479 PolarHBondContact O-N 3.49Å; S479-T508 PolarHBondContact O-OG1 2.86Å
480F88.7Confident83Confident154 Ų15462.4 Ų62.468%0.67533%0.326SS*.THydrogen-bonded Turntrans-92.4-2.2174.4-63.8-66000113.7K476 I477 F478 T508K476-F480 WeakPolarHBondContact O-CD2 3.24Å; I477-F480 PolarHBondContact O-N 2.97Å; I477-F480 VanDerWaalsContact O-N 3.12Å; F478-F480 PolarHBondContact O-N 2.69Å; F480-T508 VanDerWaalsContact CA-OG1 3.24Å; F480-T508 WeakPolarHBondContact CA-OG1 3.35Å; F480-T508 PolarHBondContact O-OG1 3.41Å
481L83.9Confident82.4Confident45 Ų4564.6 Ų64.624%0.23634%0.341CS..SBendtrans-89.3143.3-178-66.2-179.6000112.7F478 A485 L486 L489 A507 T508F478-L481 HydrophobicContact CD1-CD1 3.94Å; F478-L481 PolarHBondContact O-N 3Å; F478-L481 VanDerWaalsContact O-N 3.11Å; L481-A485 HydrophobicContact CB-CB 4.16Å; L481-A485 HydrophobicContact CD2-CB 4.43Å; L481-L486 HydrophobicContact CB-CD2 3.85Å; L481-L486 HydrophobicContact CB-CG 3.99Å; L481-L486 HydrophobicContact CD1-CD2 3.97Å; L481-L486 HydrophobicContact CG-CD2 4.48Å; L481-L489 HydrophobicContact CD1-CD1 3.32Å; L481-A507 CarbonylContact O-C 3.56Å; L481-A507 WeakPolarHBondContact O-CA 3.43Å; L481-A507 VanDerWaalsContact O-CB 3.31Å; L481-A507 WeakPolarHBondContact O-CB 3.44Å; L481-T508 PolarHBondContact N-OG1 3.24Å; L481-T508 PolarHBondContact O-N 3.1Å
482P73.2Confident82.1Confident60 Ų6065 Ų6539%0.3935%0.351SS..  trans-71.3160.4171.430.6-35.4000111.4R484 A485 L486 D509P482-R484 PolarHBondContact O-N 3.08Å; P482-R484 VanDerWaalsContact O-N 3.16Å; P482-A485 HydrophobicContact CG-CB 3.97Å; P482-A485 WeakPolarHBondContact O-CA 3.23Å; P482-A485 WeakPolarHBondContact O-CB 3.39Å; P482-A485 PolarHBondContact O-N 3.3Å; P482-L486 PolarHBondContact O-N 2.72Å; P482-D509 WeakPolarHBondContact CA-OD2 3.37Å; P482-D509 VanDerWaalsContact CB-OD2 3.25Å; P482-D509 WeakPolarHBondContact CB-OD2 3.48Å
483T69.6Low81.7Confident23 Ų2360.7 Ų60.714%0.14133%0.334CS..Hα-helixtrans-59.7-35.6-172.3-63.50000112A485 L486 A487 A507 D509 V535 L573T483-A485 VanDerWaalsContact C-N 3.3Å; T483-A485 PolarHBondContact O-N 2.94Å; T483-L486 PolarHBondContact O-N 3.37Å; T483-A487 VanDerWaalsContact O-CB 3.23Å; T483-A487 WeakPolarHBondContact O-CB 3.31Å; T483-A487 PolarHBondContact O-N 3.21Å; T483-A507 WeakPolarHBondContact OG1-CB 3Å; T483-D509 WeakPolarHBondContact CB-OD1 3.04Å; T483-D509 VanDerWaalsContact N-CG 3.3Å; T483-D509 PolarHBondContact N-OD1 3.05Å; T483-D509 PolarHBondContact N-OD2 3.4Å; T483-D509 PolarHBondContact OG1-OD1 2.88Å; T483-V535 HydrophobicContact CG2-CB 4.18Å; T483-V535 HydrophobicContact CG2-CG1 4.19Å; T483-L573 HydrophobicContact CG2-CD1 4.4Å
484R71.9Confident81.4Confident223 Ų22365.5 Ų65.584%0.84235%0.353SS*.Hα-helixtrans-60-39.2174.5-176.2180176.4-163.5-2.2112.3P482 A488P482-R484 PolarHBondContact O-N 3.08Å; P482-R484 VanDerWaalsContact O-N 3.16Å; R484-A488 WeakPolarHBondContact O-CB 3.16Å; R484-A488 PolarHBondContact O-N 3.16Å; R484-A488 VanDerWaalsContact O-N 3.08Å
485A77.1Confident81.2Confident31 Ų3169.3 Ų69.326%0.25637%0.371SS..Hα-helixtrans-75.5-41.6179.400000111.5L481 P482 T483 A488 L489L481-A485 HydrophobicContact CB-CB 4.16Å; L481-A485 HydrophobicContact CD2-CB 4.43Å; P482-A485 HydrophobicContact CG-CB 3.97Å; P482-A485 WeakPolarHBondContact O-CA 3.23Å; P482-A485 WeakPolarHBondContact O-CB 3.39Å; P482-A485 PolarHBondContact O-N 3.3Å; T483-A485 VanDerWaalsContact C-N 3.3Å; T483-A485 PolarHBondContact O-N 2.94Å; A485-A488 PolarHBondContact O-N 2.71Å; A485-L489 WeakPolarHBondContact O-CG 3.42Å; A485-L489 PolarHBondContact O-N 2.97Å
486L78.1Confident81.1Confident0 Ų068.5 Ų68.50%037%0.365CS..Hα-helixtrans-63.3-40.8173-70-171.1000112.6F478 L481 P482 T483 L489 K490 I500 A507F478-L486 HydrophobicContact CB-CD2 3.77Å; F478-L486 HydrophobicContact CG-CD2 4.2Å; L481-L486 HydrophobicContact CB-CD2 3.85Å; L481-L486 HydrophobicContact CB-CG 3.99Å; L481-L486 HydrophobicContact CD1-CD2 3.97Å; L481-L486 HydrophobicContact CG-CD2 4.48Å; P482-L486 PolarHBondContact O-N 2.72Å; T483-L486 PolarHBondContact O-N 3.37Å; L486-L489 HydrophobicContact CD2-CD1 4.29Å; L486-L489 PolarHBondContact O-N 3.14Å; L486-K490 WeakPolarHBondContact O-CG 3.38Å; L486-K490 PolarHBondContact O-N 3.43Å; L486-I500 HydrophobicContact CD2-CD1 4.03Å; L486-I500 HydrophobicContact CD2-CG1 4.44Å; L486-A507 HydrophobicContact CD1-CB 3.83Å
487A73.9Confident80.7Confident43 Ų4365.2 Ų65.236%0.35535%0.35SS..Hα-helixtrans-62.8-41.1174.800000112.1T483 C491T483-A487 VanDerWaalsContact O-CB 3.23Å; T483-A487 WeakPolarHBondContact O-CB 3.31Å; T483-A487 PolarHBondContact O-N 3.21Å; A487-C491 PolarHBondContact O-N 3.06Å; A487-C491 PolarHBondContact O-SG 2.97Å
488A75.1Confident80.4Confident53 Ų5363.8 Ų63.844%0.43835%0.351SS..Hα-helixtrans-60.8-48.2171.800000111.6R484 A485 K490 C491 T492R484-A488 WeakPolarHBondContact O-CB 3.16Å; R484-A488 PolarHBondContact O-N 3.16Å; R484-A488 VanDerWaalsContact O-N 3.08Å; A485-A488 PolarHBondContact O-N 2.71Å; A488-K490 PolarHBondContact O-N 2.87Å; A488-C491 CarbonylContact O-C 3.57Å; A488-C491 WeakPolarHBondContact O-CA 3.46Å; A488-C491 WeakPolarHBondContact O-CB 3.16Å; A488-C491 PolarHBondContact O-N 3.2Å; A488-T492 WeakPolarHBondContact O-CG2 3.4Å; A488-T492 PolarHBondContact O-N 3.02Å; A488-T492 PolarHBondContact O-OG1 3.39Å
489L82.2Confident80.2Confident29 Ų2964 Ų6415%0.15235%0.352CS..Hα-helixtrans-59.7-41.6178-75.1168.3000113.1M466 F478 L481 A485 L486 C491 T492 C493 F496 I500M466-L489 HydrophobicContact CE-CD2 4.04Å; F478-L489 HydrophobicContact CD1-CD1 3.89Å; F478-L489 HydrophobicContact CE1-CD1 3.77Å; F478-L489 HydrophobicContact CZ-CD1 4.48Å; L481-L489 HydrophobicContact CD1-CD1 3.32Å; A485-L489 WeakPolarHBondContact O-CG 3.42Å; A485-L489 PolarHBondContact O-N 2.97Å; L486-L489 HydrophobicContact CD2-CD1 4.29Å; L486-L489 PolarHBondContact O-N 3.14Å; L489-C491 PolarHBondContact O-N 3.16Å; L489-T492 WeakPolarHBondContact CA-OG1 3.17Å; L489-T492 PolarHBondContact O-N 3.06Å; L489-T492 PolarHBondContact O-OG1 3.19Å; L489-C493 PolarHBondContact O-N 3.15Å; L489-F496 HydrophobicContact CD2-CD2 3.89Å; L489-F496 HydrophobicContact CD2-CE2 4.31Å; L489-I500 HydrophobicContact CB-CD1 4.17Å
490K81.3Confident80Confident29 Ų2961.7 Ų61.713%0.12634%0.335CS..Hα-helixtrans-58.8-28.9172.8-75.5-162.5174.2-153.70113L486 A488 I500 E501 V535L486-K490 WeakPolarHBondContact O-CG 3.38Å; L486-K490 PolarHBondContact O-N 3.43Å; A488-K490 PolarHBondContact O-N 2.87Å; K490-I500 HydrophobicContact CD-CG2 4.41Å; K490-I500 HydrophobicContact CG-CB 4.47Å; K490-I500 HydrophobicContact CG-CD1 3.9Å; K490-I500 HydrophobicContact CG-CG2 4.38Å; K490-E501 IonicContact NZ-OE1 2.72Å; K490-E501 PolarHBondContact NZ-OE1 3.16Å; K490-V535 HydrophobicContact CD-CG2 4.42Å
491C75.9Confident79.7Confident115 Ų11557.7 Ų57.778%0.77732%0.319SS*.Hα-helixtrans-90.4-22.5179.6-63.50000113.5A487 A488 L489A487-C491 PolarHBondContact O-N 3.06Å; A487-C491 PolarHBondContact O-SG 2.97Å; A488-C491 CarbonylContact O-C 3.57Å; A488-C491 WeakPolarHBondContact O-CA 3.46Å; A488-C491 WeakPolarHBondContact O-CB 3.16Å; A488-C491 PolarHBondContact O-N 3.2Å; L489-C491 PolarHBondContact O-N 3.16Å
492T80.3Confident79.5Confident108 Ų10859.6 Ų59.666%0.66334%0.341SS*.Hα-helixtrans-86.6-29.9-179.955.60000113.8A488 L489A488-T492 WeakPolarHBondContact O-CG2 3.4Å; A488-T492 PolarHBondContact O-N 3.02Å; A488-T492 PolarHBondContact O-OG1 3.39Å; L489-T492 WeakPolarHBondContact CA-OG1 3.17Å; L489-T492 PolarHBondContact O-N 3.06Å; L489-T492 PolarHBondContact O-OG1 3.19Å
493C80.5Confident79.8Confident33 Ų3361.8 Ų61.822%0.22335%0.345CS..  trans-147.1129.9-175.5-171.80000113L489 H495 F496 K497L489-C493 PolarHBondContact O-N 3.15Å; C493-H495 VanDerWaalsContact C-N 3.3Å; C493-H495 PolarHBondContact O-N 3.24Å; C493-F496 HydrophobicContact CB-CB 4.23Å; C493-F496 HydrophobicContact CB-CD2 3.53Å; C493-F496 HydrophobicContact CB-CE2 4.06Å; C493-F496 HydrophobicContact CB-CG 4.01Å; C493-F496 PolarHBondContact O-N 3.28Å; C493-K497 PolarHBondContact O-N 2.79Å
494H84Confident79.9Confident147 Ų14761.2 Ų61.268%0.68134%0.344SS*.Hα-helixtrans-65.1-32.4176.5-165.4-86.4000112.9K497 G498H494-K497 WeakPolarHBondContact O-CB 3.37Å; H494-K497 PolarHBondContact O-N 3.42Å; H494-G498 PolarHBondContact O-N 3.13Å
495H85.6Confident80.2Confident80 Ų8050.9 Ų50.937%0.3731%0.305SS..Hα-helixtrans-66-47.2176.2175.868.9000111.5L467 C493 K497 G498 I499L467-H495 HydrophobicContact CD2-CB 4.49Å; C493-H495 VanDerWaalsContact C-N 3.3Å; C493-H495 PolarHBondContact O-N 3.24Å; H495-K497 VanDerWaalsContact C-N 3.34Å; H495-K497 PolarHBondContact O-N 3.18Å; H495-G498 PolarHBondContact O-N 2.85Å; H495-G498 VanDerWaalsContact O-N 3.14Å; H495-I499 WeakPolarHBondContact NE2-CD1 3.45Å; H495-I499 PolarHBondContact O-N 3.2Å
496F85.9Confident79.8Confident17 Ų1754.9 Ų54.98%0.07531%0.314CS..Hα-helixtrans-65.3-35.8174.5-57.8-30.3000112.5M466 L467 L474 F478 L489 C493 G498 I499 I500M466-F496 HydrophobicContact CB-CE1 4.19Å; M466-F496 HydrophobicContact CB-CE2 4.44Å; M466-F496 HydrophobicContact CB-CZ 3.57Å; M466-F496 HydrophobicContact CE-CD2 4.32Å; M466-F496 HydrophobicContact CE-CE1 4.26Å; M466-F496 HydrophobicContact CE-CE2 3.69Å; M466-F496 HydrophobicContact CE-CZ 3.67Å; L467-F496 HydrophobicContact CD2-CE1 3.65Å; L467-F496 HydrophobicContact CD2-CZ 3.63Å; L467-F496 HydrophobicContact CG-CZ 4.35Å; L474-F496 HydrophobicContact CD1-CE1 4.22Å; L474-F496 HydrophobicContact CD2-CE1 4.36Å; F478-F496 HydrophobicContact CE2-CB 4.17Å; F478-F496 HydrophobicContact CE2-CD1 4.1Å; F478-F496 HydrophobicContact CE2-CG 4.32Å; F478-F496 HydrophobicContact CZ-CB 4.07Å; F478-F496 AromaticContact CZ-CD1 3.6Å; F478-F496 HydrophobicContact CZ-CD1 3.6Å; F478-F496 HydrophobicContact CZ-CD2 4.48Å; F478-F496 HydrophobicContact CZ-CE1 4.16Å; F478-F496 AromaticContact CZ-CG 3.8Å; F478-F496 HydrophobicContact CZ-CG 3.8Å; L489-F496 HydrophobicContact CD2-CD2 3.89Å; L489-F496 HydrophobicContact CD2-CE2 4.31Å; C493-F496 HydrophobicContact CB-CB 4.23Å; C493-F496 HydrophobicContact CB-CD2 3.53Å; C493-F496 HydrophobicContact CB-CE2 4.06Å; C493-F496 HydrophobicContact CB-CG 4.01Å; C493-F496 PolarHBondContact O-N 3.28Å; F496-G498 VanDerWaalsContact C-N 3.34Å; F496-G498 PolarHBondContact O-N 3.21Å; F496-I499 PolarHBondContact O-N 3.42Å; F496-I500 WeakPolarHBondContact O-CB 3.46Å; F496-I500 WeakPolarHBondContact O-CD1 3.47Å; F496-I500 WeakPolarHBondContact O-CG1 3.44Å; F496-I500 PolarHBondContact O-N 3.42Å
497K82.2Confident79.6Confident69 Ų6955 Ų5530%0.332%0.315SS..Hα-helixtrans-55.7-49.9169.3179.3-176.7175.3-75.20111.2C493 H494 H495 I500 E501C493-K497 PolarHBondContact O-N 2.79Å; H494-K497 WeakPolarHBondContact O-CB 3.37Å; H494-K497 PolarHBondContact O-N 3.42Å; H495-K497 VanDerWaalsContact C-N 3.34Å; H495-K497 PolarHBondContact O-N 3.18Å; K497-I500 PolarHBondContact O-N 3.27Å; K497-E501 WeakPolarHBondContact CE-OE1 3.47Å; K497-E501 WeakPolarHBondContact CE-OE2 3.44Å; K497-E501 WeakPolarHBondContact CG-OE1 3.11Å; K497-E501 WeakPolarHBondContact CG-OE2 3.43Å; K497-E501 IonicContact NZ-OE1 3.88Å; K497-E501 IonicContact NZ-OE2 2.87Å; K497-E501 PolarHBondContact NZ-OE2 3.1Å; K497-E501 WeakPolarHBondContact O-CB 3.13Å; K497-E501 WeakPolarHBondContact O-CG 3.46Å; K497-E501 PolarHBondContact O-N 2.96Å
498G81.8Confident79.7Confident31 Ų3157.4 Ų57.432%0.3233%0.325SS..Hα-helixtrans-56.7-49.3177.100000112.9H494 H495 F496 E501 A502H494-G498 PolarHBondContact O-N 3.13Å; H495-G498 PolarHBondContact O-N 2.85Å; H495-G498 VanDerWaalsContact O-N 3.14Å; F496-G498 VanDerWaalsContact C-N 3.34Å; F496-G498 PolarHBondContact O-N 3.21Å; G498-E501 PolarHBondContact O-N 3.2Å; G498-A502 VanDerWaalsContact O-CB 3.23Å; G498-A502 WeakPolarHBondContact O-CB 3.47Å; G498-A502 PolarHBondContact O-N 3.46Å
499I85.6Confident79.1Confident5 Ų557.6 Ų57.63%0.02632%0.319CS..Hα-helixtrans-61.1-47.3177.2-69.6176.1000111.5E471 L474 V475 F478 H495 F496 E501 F503E471-I499 HydrophobicContact CG-CD1 4.19Å; L474-I499 HydrophobicContact CB-CD1 4.37Å; L474-I499 HydrophobicContact CD1-CD1 3.62Å; V475-I499 HydrophobicContact CG2-CG2 3.72Å; F478-I499 HydrophobicContact CD2-CG2 4.05Å; F478-I499 HydrophobicContact CE2-CB 4.37Å; F478-I499 HydrophobicContact CE2-CG2 3.94Å; H495-I499 WeakPolarHBondContact NE2-CD1 3.45Å; H495-I499 PolarHBondContact O-N 3.2Å; F496-I499 PolarHBondContact O-N 3.42Å; I499-E501 VanDerWaalsContact C-N 3.26Å; I499-E501 PolarHBondContact O-N 3.11Å; I499-F503 HydrophobicContact CG2-CD2 3.94Å; I499-F503 HydrophobicContact CG2-CE2 4.43Å; I499-F503 WeakPolarHBondContact O-CD2 3.45Å; I499-F503 PolarHBondContact O-N 3.2Å; I499-F503 VanDerWaalsContact O-N 3.09Å
500I82.3Confident78.3Confident0 Ų056.6 Ų56.60%031%0.314CS..Hα-helixtrans-63.8-35.1-178.3-65.4162.5000111F478 L486 L489 K490 F496 K497 G504 V505F478-I500 HydrophobicContact CD2-CD1 4.17Å; F478-I500 HydrophobicContact CD2-CG1 3.6Å; F478-I500 HydrophobicContact CE2-CD1 4.38Å; F478-I500 HydrophobicContact CE2-CG1 4.04Å; F478-I500 HydrophobicContact CG-CG1 4.33Å; L486-I500 HydrophobicContact CD2-CD1 4.03Å; L486-I500 HydrophobicContact CD2-CG1 4.44Å; L489-I500 HydrophobicContact CB-CD1 4.17Å; K490-I500 HydrophobicContact CD-CG2 4.41Å; K490-I500 HydrophobicContact CG-CB 4.47Å; K490-I500 HydrophobicContact CG-CD1 3.9Å; K490-I500 HydrophobicContact CG-CG2 4.38Å; F496-I500 WeakPolarHBondContact O-CB 3.46Å; F496-I500 WeakPolarHBondContact O-CD1 3.47Å; F496-I500 WeakPolarHBondContact O-CG1 3.44Å; F496-I500 PolarHBondContact O-N 3.42Å; K497-I500 PolarHBondContact O-N 3.27Å; I500-G504 CarbonylContact O-C 3.24Å; I500-G504 WeakPolarHBondContact O-CA 3.23Å; I500-G504 PolarHBondContact O-N 3.17Å; I500-V505 HydrophobicContact CG2-CB 4.27Å; I500-V505 PolarHBondContact O-N 2.99Å
501E82.4Confident77Confident71 Ų7163 Ų6333%0.33234%0.337SS..Hα-helixtrans-78.2-49.8179.1-73166.5-173.600112.1K490 K497 G498 I499 F503 G504K490-E501 IonicContact NZ-OE1 2.72Å; K490-E501 PolarHBondContact NZ-OE1 3.16Å; K497-E501 WeakPolarHBondContact CE-OE1 3.47Å; K497-E501 WeakPolarHBondContact CE-OE2 3.44Å; K497-E501 WeakPolarHBondContact CG-OE1 3.11Å; K497-E501 WeakPolarHBondContact CG-OE2 3.43Å; K497-E501 IonicContact NZ-OE1 3.88Å; K497-E501 IonicContact NZ-OE2 2.87Å; K497-E501 PolarHBondContact NZ-OE2 3.1Å; K497-E501 WeakPolarHBondContact O-CB 3.13Å; K497-E501 WeakPolarHBondContact O-CG 3.46Å; K497-E501 PolarHBondContact O-N 2.96Å; G498-E501 PolarHBondContact O-N 3.2Å; I499-E501 VanDerWaalsContact C-N 3.26Å; I499-E501 PolarHBondContact O-N 3.11Å; E501-F503 PolarHBondContact O-N 3.1Å; E501-G504 PolarHBondContact O-N 3.15Å
502A79.8Confident75.8Confident85 Ų8560 Ų6070%0.70231%0.31SS*.Hα-helixtrans-62.7-42.9-178.300000113.2G498 G504G498-A502 VanDerWaalsContact O-CB 3.23Å; G498-A502 WeakPolarHBondContact O-CB 3.47Å; G498-A502 PolarHBondContact O-N 3.46Å; A502-G504 VanDerWaalsContact C-N 3.34Å
503F80.6Confident74.4Confident106 Ų10657.5 Ų57.547%0.46529%0.292SS..THydrogen-bonded Turntrans-89.4-1.3177.8-63.1-75.8000113.3E471 V475 I499 E501 V505E471-F503 HydrophobicContact CB-CE2 4.3Å; V475-F503 HydrophobicContact CG1-CB 4.36Å; V475-F503 HydrophobicContact CG2-CB 3.74Å; V475-F503 HydrophobicContact CG2-CD1 4.28Å; V475-F503 HydrophobicContact CG2-CD2 3.47Å; V475-F503 VanDerWaalsContact CG2-CD2 3.47Å; V475-F503 HydrophobicContact CG2-CE2 4.13Å; V475-F503 HydrophobicContact CG2-CG 3.56Å; I499-F503 HydrophobicContact CG2-CD2 3.94Å; I499-F503 HydrophobicContact CG2-CE2 4.43Å; I499-F503 WeakPolarHBondContact O-CD2 3.45Å; I499-F503 PolarHBondContact O-N 3.2Å; I499-F503 VanDerWaalsContact O-N 3.09Å; E501-F503 PolarHBondContact O-N 3.1Å; F503-V505 VanDerWaalsContact C-N 3.34Å; F503-V505 HydrophobicContact CB-CG2 3.97Å; F503-V505 PolarHBondContact O-N 3.14Å
504G71.9Confident72.9Confident11 Ų1165.8 Ų65.811%0.11332%0.319CS..THydrogen-bonded Turntrans5841.8178.800000113.7I500 E501 A502 R506 K532I500-G504 CarbonylContact O-C 3.24Å; I500-G504 WeakPolarHBondContact O-CA 3.23Å; I500-G504 PolarHBondContact O-N 3.17Å; E501-G504 PolarHBondContact O-N 3.15Å; A502-G504 VanDerWaalsContact C-N 3.34Å; G504-R506 PolarHBondContact O-N 2.84Å; G504-K532 WeakPolarHBondContact CA-O 3.43Å
505V77Confident71.3Confident6 Ų660.5 Ų60.54%0.03630%0.296CS..PPolyproline II helixtrans-66.8120.8-168.8-1720000110.6V475 F478 I500 F503V475-V505 HydrophobicContact CB-CG2 4.5Å; V475-V505 HydrophobicContact CG1-CG2 4.12Å; V475-V505 HydrophobicContact CG2-CG2 4.24Å; F478-V505 HydrophobicContact CB-CB 4.49Å; F478-V505 HydrophobicContact CB-CG1 3.73Å; I500-V505 HydrophobicContact CG2-CB 4.27Å; I500-V505 PolarHBondContact O-N 2.99Å; F503-V505 VanDerWaalsContact C-N 3.34Å; F503-V505 HydrophobicContact CB-CG2 3.97Å; F503-V505 PolarHBondContact O-N 3.14Å
506R69.9Low69.5Low114 Ų11460.8 Ų60.843%0.4331%0.305SS..PPolyproline II helixtrans-87.7140.7176.8-70.4176.459.1-141.6-0.2110.2G504 S510G504-R506 PolarHBondContact O-N 2.84Å; R506-S510 PolarHBondContact NH2-O 3.41Å
507A73.9Confident67.6Low4 Ų465.6 Ų65.63%0.03333%0.331CS..PPolyproline II helixtrans-70.2152.5168.400000111.7L481 T483 L486 D509 S510L481-A507 CarbonylContact O-C 3.56Å; L481-A507 WeakPolarHBondContact O-CA 3.43Å; L481-A507 VanDerWaalsContact O-CB 3.31Å; L481-A507 WeakPolarHBondContact O-CB 3.44Å; T483-A507 WeakPolarHBondContact OG1-CB 3Å; L486-A507 HydrophobicContact CD1-CB 3.83Å; A507-D509 VanDerWaalsContact C-N 3.27Å; A507-D509 WeakPolarHBondContact CB-OD1 3.16Å; A507-D509 PolarHBondContact O-N 2.98Å; A507-S510 WeakPolarHBondContact O-CB 3.39Å; A507-S510 PolarHBondContact O-N 2.96Å
508T74.7Confident66.1Low93 Ų9362.9 Ų62.957%0.57132%0.318SS*.THydrogen-bonded Turntrans-63-33.8179.2-38.30000112.9S479 F480 L481 S510S479-T508 PolarHBondContact O-OG1 2.86Å; F480-T508 VanDerWaalsContact CA-OG1 3.24Å; F480-T508 WeakPolarHBondContact CA-OG1 3.35Å; F480-T508 PolarHBondContact O-OG1 3.41Å; L481-T508 PolarHBondContact N-OG1 3.24Å; L481-T508 PolarHBondContact O-N 3.1Å; T508-S510 VanDerWaalsContact C-N 3.28Å
509D62.9Low64.5Low57 Ų5769 Ų6931%0.30533%0.332SS..THydrogen-bonded Turntrans-79.6-10.3177.656.92.1000112.7P482 T483 A507 R511 L573P482-D509 WeakPolarHBondContact CA-OD2 3.37Å; P482-D509 VanDerWaalsContact CB-OD2 3.25Å; P482-D509 WeakPolarHBondContact CB-OD2 3.48Å; T483-D509 WeakPolarHBondContact CB-OD1 3.04Å; T483-D509 VanDerWaalsContact N-CG 3.3Å; T483-D509 PolarHBondContact N-OD1 3.05Å; T483-D509 PolarHBondContact N-OD2 3.4Å; T483-D509 PolarHBondContact OG1-OD1 2.88Å; A507-D509 VanDerWaalsContact C-N 3.27Å; A507-D509 WeakPolarHBondContact CB-OD1 3.16Å; A507-D509 PolarHBondContact O-N 2.98Å; D509-R511 PolarHBondContact O-N 2.65Å; D509-L573 HydrophobicContact CB-CD2 3.63Å; D509-L573 WeakPolarHBondContact O-CD2 3.01Å; D509-L573 WeakPolarHBondContact OD1-CD2 3.48Å
510S64.9Low62.8Low7 Ų772.5 Ų72.55%0.04935%0.351CS..  trans-67.393-176.7-177.40000113R506 A507 T508 W512R506-S510 PolarHBondContact NH2-O 3.41Å; A507-S510 WeakPolarHBondContact O-CB 3.39Å; A507-S510 PolarHBondContact O-N 2.96Å; T508-S510 VanDerWaalsContact C-N 3.28Å; S510-W512 PolarHBondContact O-N 3.37Å; S510-W512 WeakPolarHBondContact OG-CB 3.25Å
511R54Low61.2Low163 Ų16373.9 Ų73.962%0.61536%0.358SS*.  trans-7633.9167.5-63.6168.6171.5-176.82.7112.9D509 N513 D575 N576D509-R511 PolarHBondContact O-N 2.65Å; R511-N513 PolarHBondContact O-N 3.33Å; R511-N513 VanDerWaalsContact O-N 3.11Å; R511-D575 HydrophobicContact CB-CB 3.84Å; R511-D575 WeakPolarHBondContact CB-OD1 3.37Å; R511-D575 WeakPolarHBondContact CD-OD1 3.45Å; R511-D575 WeakPolarHBondContact CD-OD2 3.46Å; R511-D575 IonicContact CZ-OD2 3.4Å; R511-D575 IonicContact NE-OD2 2.91Å; R511-D575 IonicContact NH1-OD2 3.17Å; R511-D575 PolarHBondContact NH1-OD2 3.14Å; R511-D575 WeakPolarHBondContact O-CA 3.13Å; R511-N576 PolarHBondContact O-N 3.37Å; R511-N576 VanDerWaalsContact O-N 3.1Å
512W51.7Low59.7Low54 Ų5472.7 Ų72.721%0.20536%0.356CS..  trans-67.6107.8174-83.152.2000110.4S510 Y518 D534 H574 N576S510-W512 PolarHBondContact O-N 3.37Å; S510-W512 WeakPolarHBondContact OG-CB 3.25Å; W512-Y518 HydrophobicContact CE3-CE1 4.01Å; W512-Y518 AromaticContact CH2-CE1 3.97Å; W512-Y518 HydrophobicContact CH2-CE1 3.97Å; W512-Y518 HydrophobicContact CZ3-CD1 4.35Å; W512-Y518 AromaticContact CZ3-CE1 3.62Å; W512-Y518 HydrophobicContact CZ3-CE1 3.62Å; W512-D534 VanDerWaalsContact CH2-O 3.29Å; W512-D534 WeakPolarHBondContact CH2-O 3.48Å; W512-D534 WeakPolarHBondContact CZ2-O 3.15Å; W512-H574 VanDerWaalsContact CD1-O 3.26Å; W512-H574 PolarHBondContact NE1-O 3Å; W512-N576 WeakPolarHBondContact CA-ND2 3.27Å; W512-N576 VanDerWaalsContact CD2-ND2 3.27Å
513N50Low58.6Low54 Ų5468.6 Ų68.629%0.28932%0.323SS..  trans-63.7147.7166-164.9-0.6000110.5R511 D515 N576R511-N513 PolarHBondContact O-N 3.33Å; R511-N513 VanDerWaalsContact O-N 3.11Å; N513-D515 PolarHBondContact OD1-N 2.7Å; N513-N576 HydrophobicContact CB-CB 3.73Å; N513-N576 VanDerWaalsContact CB-O 3.28Å; N513-N576 WeakPolarHBondContact CB-O 3.46Å; N513-N576 PolarHBondContact O-ND2 3.06Å
514R49.5Very low57.1Low207 Ų20768.5 Ų68.578%0.78132%0.322SS*.  trans-934.8179.4-73.1-177.4171.4175.8-2.1113.7
515D50.3Low55.8Low37 Ų3773.6 Ų73.620%0.19834%0.343CS..  trans-50.6125.4179.6-163.7-48.8000111.4N513 L517 Y518N513-D515 PolarHBondContact OD1-N 2.7Å; D515-L517 PolarHBondContact O-N 3.36Å; D515-L517 VanDerWaalsContact O-N 3.15Å; D515-L517 WeakPolarHBondContact OD1-CB 3.4Å; D515-L517 WeakPolarHBondContact OD1-CG 3.4Å; D515-L517 PolarHBondContact OD1-N 3.13Å; D515-Y518 PolarHBondContact O-N 3.21Å
516P47.2Very low54.6Low85 Ų8575.9 Ų75.955%0.55236%0.359SS*.Hα-helixtrans-50.3-37.2178-28.335.4000113.5Y518 R519 D520P516-Y518 PolarHBondContact O-N 3.41Å; P516-Y518 VanDerWaalsContact O-N 3.13Å; P516-R519 PolarHBondContact O-N 2.94Å; P516-D520 PolarHBondContact O-N 3.28Å
517L47.4Very low53.9Low119 Ų11980.6 Ų80.662%0.62338%0.377SS*.Hα-helixtrans-59.6-26.5-179.1-64.4171.8000112.9D515 W578D515-L517 PolarHBondContact O-N 3.36Å; D515-L517 VanDerWaalsContact O-N 3.15Å; D515-L517 WeakPolarHBondContact OD1-CB 3.4Å; D515-L517 WeakPolarHBondContact OD1-CG 3.4Å; D515-L517 PolarHBondContact OD1-N 3.13Å; L517-W578 HydrophobicContact CB-CZ2 4.33Å; L517-W578 HydrophobicContact CD1-CH2 4.35Å
518Y49.5Very low53.2Low11 Ų1184.2 Ų84.24%0.04339%0.392CS..Hα-helixtrans-86.7-39.4178.5-172.6-84.6000113W512 D515 P516 D520 D521 Y545 N576W512-Y518 HydrophobicContact CE3-CE1 4.01Å; W512-Y518 AromaticContact CH2-CE1 3.97Å; W512-Y518 HydrophobicContact CH2-CE1 3.97Å; W512-Y518 HydrophobicContact CZ3-CD1 4.35Å; W512-Y518 AromaticContact CZ3-CE1 3.62Å; W512-Y518 HydrophobicContact CZ3-CE1 3.62Å; D515-Y518 PolarHBondContact O-N 3.21Å; P516-Y518 PolarHBondContact O-N 3.41Å; P516-Y518 VanDerWaalsContact O-N 3.13Å; Y518-D520 PolarHBondContact O-N 3Å; Y518-D521 PolarHBondContact O-N 2.89Å; Y518-Y545 HydrophobicContact CD2-CE1 4.22Å; Y518-Y545 AromaticContact CE2-CE1 3.6Å; Y518-Y545 HydrophobicContact CE2-CE1 3.6Å; Y518-Y545 AromaticContact CE2-CZ 3.75Å; Y518-Y545 VanDerWaalsContact CE2-OH 3.23Å; Y518-Y545 WeakPolarHBondContact CE2-OH 3.18Å; Y518-Y545 PolarHBondContact OH-OH 3.1Å; Y518-N576 HydrophobicContact CD1-CB 4.12Å; Y518-N576 WeakPolarHBondContact CD1-ND2 3.41Å; Y518-N576 HydrophobicContact CD2-CB 3.63Å; Y518-N576 HydrophobicContact CE1-CB 4.34Å; Y518-N576 WeakPolarHBondContact CE1-ND2 3.33Å; Y518-N576 WeakPolarHBondContact CE1-OD1 3.38Å; Y518-N576 HydrophobicContact CE2-CB 3.83Å; Y518-N576 VanDerWaalsContact CE2-CG 3.46Å; Y518-N576 VanDerWaalsContact CE2-OD1 3.3Å; Y518-N576 WeakPolarHBondContact CE2-OD1 3.11Å; Y518-N576 HydrophobicContact CG-CB 3.78Å; Y518-N576 PolarHBondContact OH-OD1 3Å
519R48.1Very low52.4Low159 Ų15988.1 Ų88.160%0.640%0.396SS*.Hα-helixtrans-61-37.3-176.9-171.4-171.267.4-169.5-7.9111.4P516P516-R519 PolarHBondContact O-N 2.94Å
520D50.9Low52.1Low80 Ų8086.3 Ų86.343%0.42839%0.385SS..THydrogen-bonded Turntrans-96.67.7-170.8-57.4-29.8000113P516 Y518 P522P516-D520 PolarHBondContact O-N 3.28Å; Y518-D520 PolarHBondContact O-N 3Å; D520-P522 WeakPolarHBondContact O-CD 3.29Å
521D49.3Very low51.4Low28 Ų2893.5 Ų93.515%0.1542%0.418CS..  trans-89.4101.1174.6175.736.9000111.7Y518 K543Y518-D521 PolarHBondContact O-N 2.89Å; D521-K543 VanDerWaalsContact CG-NZ 3.26Å; D521-K543 WeakPolarHBondContact O-CE 3.17Å; D521-K543 PolarHBondContact O-NZ 3.29Å; D521-K543 WeakPolarHBondContact OD2-CE 3.36Å; D521-K543 IonicContact OD2-NZ 3.63Å; D521-K543 PolarHBondContact OD2-NZ 3.33Å
522P50.8Low51Low46 Ų4694.3 Ų94.330%0.29943%0.426SS..  trans-72.2153.1178.832-36.6000111.7D520 K524 K528 R529D520-P522 WeakPolarHBondContact O-CD 3.29Å; P522-K524 PolarHBondContact O-N 3.08Å; P522-K524 VanDerWaalsContact O-N 3.1Å; P522-K528 WeakPolarHBondContact CA-O 3.28Å; P522-R529 HydrophobicContact CB-CG 4.27Å
523C56Low50.6Low0 Ų092.6 Ų92.60%043%0.425CS..  trans-59.8118170.5178.40000110.7Q525 C526 R527 K528 Y530C523-Q525 PolarHBondContact O-N 3.48Å; C523-C526 VanDerWaalsContact CB-SG 3.54Å; C523-C526 PolarHBondContact O-N 3.06Å; C523-C526 VanDerWaalsContact SG-SG 3.61Å; C523-R527 WeakPolarHBondContact O-CA 3.3Å; C523-R527 PolarHBondContact O-N 3.38Å; C523-K528 PolarHBondContact N-O 3.46Å; C523-Y530 HydrophobicContact CB-CE2 4.46Å
524K48.9Very low50.5Low103 Ų10390.8 Ų90.845%0.44842%0.415SS..THydrogen-bonded Turntrans-58.3-23.1-178-69.3-168.4177.7-178.20114.7P522 H546P522-K524 PolarHBondContact O-N 3.08Å; P522-K524 VanDerWaalsContact O-N 3.1Å; K524-H546 PolarHBondContact NZ-CE1 2.04Å; K524-H546 PolarHBondContact NZ-ND1 3.44Å; K524-H546 PolarHBondContact NZ-NE2 2.88Å
525Q45Very low50.3Low118 Ų11881.9 Ų81.955%0.55138%0.383SS*.THydrogen-bonded Turntrans-92.5-38.1-177.9-71.4178.6-20.600114.2C523 H541C523-Q525 PolarHBondContact O-N 3.48Å; Q525-H541 HydrophobicContact CB-CB 4.15Å; Q525-H541 VanDerWaalsContact OE1-CB 3.22Å; Q525-H541 PolarHBondContact OE1-CD2 3.21Å
526C51.7Low49.8Very low55 Ų5582.2 Ų82.237%0.37239%0.389SS..THydrogen-bonded Turntrans-112.11.2177.569.40000115C523 K528 C538C523-C526 VanDerWaalsContact CB-SG 3.54Å; C523-C526 PolarHBondContact O-N 3.06Å; C523-C526 VanDerWaalsContact SG-SG 3.61Å; C526-K528 PolarHBondContact O-N 3Å; C526-C538 PolarHBondContact SG-SG 2.93Å
527R56Low49.9Very low212 Ų21282.1 Ų82.180%0.838%0.383SS*.  trans54.17.9-175.4-59.2-177.2-178.7179.20.2115.9C523 R529C523-R527 WeakPolarHBondContact O-CA 3.3Å; C523-R527 PolarHBondContact O-N 3.38Å; R527-R529 PolarHBondContact O-N 2.98Å
528K57.6Low49.7Very low81 Ų8177.3 Ų77.335%0.35236%0.359SS..PPolyproline II helixtrans-58.7120.9176.6-158.7-158.4-178.8-1560109.3P522 C523 C526 Y530 D534 S536P522-K528 WeakPolarHBondContact CA-O 3.28Å; C523-K528 PolarHBondContact N-O 3.46Å; C526-K528 PolarHBondContact O-N 3Å; K528-Y530 HydrophobicContact CD-CE1 4.4Å; K528-D534 IonicContact NZ-OD1 3.49Å; K528-D534 PolarHBondContact NZ-OD1 3.14Å; K528-D534 IonicContact NZ-OD2 2.65Å; K528-D534 PolarHBondContact NZ-OD2 3.04Å; K528-S536 PolarHBondContact NZ-OG 3.1Å
529R57.8Low49.1Very low175 Ų17586.4 Ų86.466%0.6639%0.394SS*.PPolyproline II helixtrans-78141162-66.4177.8179-111.72.8107.7P522 R527P522-R529 HydrophobicContact CB-CG 4.27Å; R527-R529 PolarHBondContact O-N 2.98Å
530Y56.4Low48.5Very low19 Ų1987.9 Ų87.98%0.07540%0.399CS..PPolyproline II helixtrans-96.5125.8-178.1-63.8-78.8000109.7C523 K528 D534 S536 C538 K543C523-Y530 HydrophobicContact CB-CE2 4.46Å; K528-Y530 HydrophobicContact CD-CE1 4.4Å; Y530-D534 WeakPolarHBondContact CA-OD2 3.21Å; Y530-D534 HydrophobicContact CD1-CB 4.06Å; Y530-S536 VanDerWaalsContact CE1-O 3.23Å; Y530-S536 WeakPolarHBondContact CE1-O 3.46Å; Y530-C538 WeakPolarHBondContact OH-CB 3.39Å; Y530-C538 PolarHBondContact OH-N 3.48Å; Y530-K543 HydrophobicContact CE2-CD 4.25Å
531E50.9Low48Very low158 Ų15886.8 Ų86.874%0.73839%0.391SS*.PPolyproline II helixtrans-85.4167.6178.5-68.6-175.3-178.200111.7G533 D534E531-G533 PolarHBondContact O-N 3.38Å; E531-D534 PolarHBondContact N-OD2 3.13Å; E531-D534 VanDerWaalsContact N-OD2 3.16Å; E531-D534 WeakPolarHBondContact O-CB 3.49Å; E531-D534 PolarHBondContact O-N 2.85Å
532K45.5Very low47.6Very low180 Ų18089.6 Ų89.678%0.78341%0.411SS*.THydrogen-bonded Turntrans-66.6105-177.5-176.6-173.7174.8-167.10109.6G504G504-K532 WeakPolarHBondContact CA-O 3.43Å
533G43.6Very low47.3Very low17 Ų1787.9 Ų87.918%0.17540%0.399CS..THydrogen-bonded Turntrans107.75.4-173.700000114.6E531 V535E531-G533 PolarHBondContact O-N 3.38Å; G533-V535 PolarHBondContact O-N 2.91Å
534D49Very low46.5Very low16 Ų1689.5 Ų89.59%0.08641%0.41CS..  trans-69.579.9168.1-106-25.1000111.4W512 K528 Y530 E531 S536W512-D534 VanDerWaalsContact CH2-O 3.29Å; W512-D534 WeakPolarHBondContact CH2-O 3.48Å; W512-D534 WeakPolarHBondContact CZ2-O 3.15Å; K528-D534 IonicContact NZ-OD1 3.49Å; K528-D534 PolarHBondContact NZ-OD1 3.14Å; K528-D534 IonicContact NZ-OD2 2.65Å; K528-D534 PolarHBondContact NZ-OD2 3.04Å; Y530-D534 WeakPolarHBondContact CA-OD2 3.21Å; Y530-D534 HydrophobicContact CD1-CB 4.06Å; E531-D534 PolarHBondContact N-OD2 3.13Å; E531-D534 VanDerWaalsContact N-OD2 3.16Å; E531-D534 WeakPolarHBondContact O-CB 3.49Å; E531-D534 PolarHBondContact O-N 2.85Å; D534-S536 PolarHBondContact O-N 3.47Å; D534-S536 PolarHBondContact OD1-OG 3.18Å
535V44Very low46.2Very low20 Ų2087.2 Ų87.212%0.12140%0.399CS..  trans-67.3-3.6160.7-82.80000112.7T483 K490 G533 L537T483-V535 HydrophobicContact CG2-CB 4.18Å; T483-V535 HydrophobicContact CG2-CG1 4.19Å; K490-V535 HydrophobicContact CD-CG2 4.42Å; G533-V535 PolarHBondContact O-N 2.91Å; V535-L537 PolarHBondContact O-N 3.4Å
536S40.6Very low45.9Very low45 Ų4585.1 Ų85.132%0.31539%0.389SS..  trans-73.4107.3169.874.90000109.8K528 Y530 D534K528-S536 PolarHBondContact NZ-OG 3.1Å; Y530-S536 VanDerWaalsContact CE1-O 3.23Å; Y530-S536 WeakPolarHBondContact CE1-O 3.46Å; D534-S536 PolarHBondContact O-N 3.47Å; D534-S536 PolarHBondContact OD1-OG 3.18Å
537L49.1Very low45.5Very low83 Ų8386.8 Ų86.844%0.43539%0.391SS..  trans-54.4148.7148.1-57.6173.5000108.3V535 R539 H574V535-L537 PolarHBondContact O-N 3.4Å; L537-R539 PolarHBondContact O-N 2.65Å; L537-H574 VanDerWaalsContact CD1-CD2 3.44Å; L537-H574 WeakPolarHBondContact CD1-CD2 3.23Å; L537-H574 WeakPolarHBondContact CD1-NE2 3.23Å; L537-H574 HydrophobicContact CD2-CB 4.15Å; L537-H574 WeakPolarHBondContact CD2-CD2 3.4Å
538C43Very low44.9Very low17 Ų1781.5 Ų81.512%0.11538%0.378CS..  trans-55.7113.1168-176.50000108.1C526 Y530 W540 H541C526-C538 PolarHBondContact SG-SG 2.93Å; Y530-C538 WeakPolarHBondContact OH-CB 3.39Å; Y530-C538 PolarHBondContact OH-N 3.48Å; C538-W540 PolarHBondContact O-N 3.38Å; C538-H541 HydrophobicContact CB-CB 4.08Å; C538-H541 PolarHBondContact O-N 2.76Å; C538-H541 VanDerWaalsContact O-N 3.1Å; C538-H541 PolarHBondContact SG-ND1 3.1Å
539R37.6Very low44.6Very low203 Ų20381.9 Ų81.977%0.76638%0.384SS*.THydrogen-bonded Turntrans-61.2-6.2-167.5-164.9155.877.795-10114.4L537L537-R539 PolarHBondContact O-N 2.65Å
540W34.2Very low44.2Very low189 Ų18979.3 Ų79.372%0.71639%0.39SS*.THydrogen-bonded Turntrans-128.9-13.6-173.2-54.9110.3000113.7C538C538-W540 PolarHBondContact O-N 3.38Å
541H40.2Very low43.8Very low57 Ų5789.2 Ų89.226%0.26443%0.429SS..  trans-137112.7-166.7-55.9131.1000111.7Q525 C538 K543Q525-H541 HydrophobicContact CB-CB 4.15Å; Q525-H541 VanDerWaalsContact OE1-CB 3.22Å; Q525-H541 PolarHBondContact OE1-CD2 3.21Å; C538-H541 HydrophobicContact CB-CB 4.08Å; C538-H541 PolarHBondContact O-N 2.76Å; C538-H541 VanDerWaalsContact O-N 3.1Å; C538-H541 PolarHBondContact SG-ND1 3.1Å; H541-K543 PolarHBondContact O-N 2.8Å
542P41.7Very low43.3Very low88 Ų8883.5 Ų83.557%0.57141%0.413SS*.  trans-63.6126166.628-32.1000108.3P544P542-P544 WeakPolarHBondContact O-CD 3.44Å
543K43.4Very low43Very low10 Ų1083.2 Ų83.24%0.04341%0.407CS..  trans-68.5114.1-177.9-151.4-175.2-173.9-161.30108.8D521 Y530 H541 Y545D521-K543 VanDerWaalsContact CG-NZ 3.26Å; D521-K543 WeakPolarHBondContact O-CE 3.17Å; D521-K543 PolarHBondContact O-NZ 3.29Å; D521-K543 WeakPolarHBondContact OD2-CE 3.36Å; D521-K543 IonicContact OD2-NZ 3.63Å; D521-K543 PolarHBondContact OD2-NZ 3.33Å; Y530-K543 HydrophobicContact CE2-CD 4.25Å; H541-K543 PolarHBondContact O-N 2.8Å; K543-Y545 HydrophobicContact CB-CE2 4.18Å; K543-Y545 HydrophobicContact CD-CE1 3.69Å; K543-Y545 WeakPolarHBondContact CD-OH 3.45Å; K543-Y545 HydrophobicContact CG-CE1 4.4Å; K543-Y545 PolarHBondContact O-N 3.46Å
544P40.1Very low42.9Very low34 Ų3483.9 Ų83.922%0.22141%0.408CS..  trans-84.1105.2175.9-0.621000107.2P542P542-P544 WeakPolarHBondContact O-CD 3.44Å
545Y42.5Very low42.5Very low54 Ų5489.8 Ų89.821%0.21243%0.43CS..EExtended strand (participates in β ladder)trans-73.1145.8174.4-63.6-79.7000109.5Y518 K543 Y555 W556Y518-Y545 HydrophobicContact CD2-CE1 4.22Å; Y518-Y545 AromaticContact CE2-CE1 3.6Å; Y518-Y545 HydrophobicContact CE2-CE1 3.6Å; Y518-Y545 AromaticContact CE2-CZ 3.75Å; Y518-Y545 VanDerWaalsContact CE2-OH 3.23Å; Y518-Y545 WeakPolarHBondContact CE2-OH 3.18Å; Y518-Y545 PolarHBondContact OH-OH 3.1Å; K543-Y545 HydrophobicContact CB-CE2 4.18Å; K543-Y545 HydrophobicContact CD-CE1 3.69Å; K543-Y545 WeakPolarHBondContact CD-OH 3.45Å; K543-Y545 HydrophobicContact CG-CE1 4.4Å; K543-Y545 PolarHBondContact O-N 3.46Å; Y545-Y555 WeakPolarHBondContact O-CA 3.45Å; Y545-W556 PolarHBondContact N-O 3.32Å; Y545-W556 PolarHBondContact O-N 2.74Å
546H39.8Very low42.4Very low75 Ų7595.5 Ų95.535%0.34745%0.45SS..EExtended strand (participates in β ladder)trans-115130.617259.5-52.5000108.3K524 S554 Y555K524-H546 PolarHBondContact NZ-CE1 2.04Å; K524-H546 PolarHBondContact NZ-ND1 3.44Å; K524-H546 PolarHBondContact NZ-NE2 2.88Å; H546-S554 VanDerWaalsContact CA-O 3.27Å; H546-S554 WeakPolarHBondContact CA-O 2.98Å; H546-Y555 HydrophobicContact CB-CD1 4.49Å
547H41.5Very low42.3Very low90 Ų90100.3 Ų100.342%0.41747%0.469SS..EExtended strand (participates in β ladder)trans-111.2120162.2-163.4-36.8000106.8L549 S554H547-L549 PolarHBondContact O-N 3.17Å; H547-S554 PolarHBondContact N-O 2.88Å; H547-S554 PolarHBondContact O-N 2.76Å; H547-S554 PolarHBondContact O-OG 3.21Å
548D44Very low42.1Very low100 Ų10098.2 Ų98.254%0.53546%0.461SS..EExtended strand (participates in β ladder)trans-71.8107.8169.4-66.8-29.3000107R553D548-R553 WeakPolarHBondContact OD1-CG 3.18Å
549L51.5Low42Very low90 Ų90100.4 Ų100.447%0.47148%0.476SS..EExtended strand (participates in β ladder)trans-95.7158170.4-72.1171000108.2H547 Y551 G552H547-L549 PolarHBondContact O-N 3.17Å; L549-Y551 PolarHBondContact O-N 3.01Å; L549-G552 PolarHBondContact N-O 3.19Å; L549-G552 PolarHBondContact O-N 2.96Å
550P50.4Low42Very low121 Ų121100 Ų10079%0.78647%0.474SS*.THydrogen-bonded Turntrans-59.3-12.1178.422-33.4000114.6
551Y47.1Very low42.4Very low226 Ų226101.1 Ų101.189%0.88648%0.478SS*.THydrogen-bonded Turntrans-111.211.6176.1-59.9-77.6000114L549L549-Y551 PolarHBondContact O-N 3.01Å
552G40.7Very low42.5Very low39 Ų39102.7 Ų102.740%0.40250%0.501SS..EExtended strand (participates in β ladder)trans130.3-179.7171.100000115.6L549 S554L549-G552 PolarHBondContact N-O 3.19Å; L549-G552 PolarHBondContact O-N 2.96Å; G552-S554 PolarHBondContact O-N 3.11Å
553R40Very low42.6Very low174 Ų174102.6 Ų102.666%0.65750%0.496SS*.EExtended strand (participates in β ladder)trans-75.2107.3-179.3-59.8-170.2173.6155.83.4110.6D548 Y555D548-R553 WeakPolarHBondContact OD1-CG 3.18Å; R553-Y555 HydrophobicContact CB-CE2 4.26Å
554S41.2Very low42.9Very low30 Ų30109.3 Ų109.321%0.2152%0.521CS..EExtended strand (participates in β ladder)trans-89.3132.5172.265.30000110.6H546 H547 G552H546-S554 VanDerWaalsContact CA-O 3.27Å; H546-S554 WeakPolarHBondContact CA-O 2.98Å; H547-S554 PolarHBondContact N-O 2.88Å; H547-S554 PolarHBondContact O-N 2.76Å; H547-S554 PolarHBondContact O-OG 3.21Å; G552-S554 PolarHBondContact O-N 3.11Å
555Y41Very low43.2Very low140 Ų140114.9 Ų114.955%0.54954%0.544SS..EExtended strand (participates in β ladder)trans-108.9120.2-179.8-61.4-86.7000110.7Y545 H546 R553Y545-Y555 WeakPolarHBondContact O-CA 3.45Å; H546-Y555 HydrophobicContact CB-CD1 4.49Å; R553-Y555 HydrophobicContact CB-CE2 4.26Å
556W40Very low43.1Very low141 Ų141114.3 Ų114.353%0.53455%0.546SS..EExtended strand (participates in β ladder)trans-97.3110.5172.6-68.892.3000110Y545 T566Y545-W556 PolarHBondContact N-O 3.32Å; Y545-W556 PolarHBondContact O-N 2.74Å; W556-T566 HydrophobicContact CZ3-CG2 4.26Å
557M39Very low43Very low146 Ų146116.3 Ų116.372%0.71957%0.566SS**  trans-84116.8171.4-69.6-171.4-72.200109.4C559M557-C559 PolarHBondContact O-N 3.45Å
558C46.1Very low43.3Very low39 Ų39115.3 Ų115.326%0.26458%0.58SS.*SBendtrans-67.796.6177.4-169.60000111.3H574C558-H574 PolarHBondContact SG-CE1 2.91Å
559C40.6Very low43.4Very low63 Ų63111 Ų11143%0.42656%0.557SS.*  trans67.685.5163.7-49.50000117.8M557 C569M557-C559 PolarHBondContact O-N 3.45Å; C559-C569 HydrophobicContact CB-CB 4.47Å; C559-C569 WeakPolarHBondContact CB-SG 3.45Å; C559-C569 WeakPolarHBondContact SG-CB 3.37Å; C559-C569 CovalentContact SG-SG 2.04Å; C559-C569 PolarHBondContact SG-SG 2.89Å
560R36.8Very low43Very low194 Ų194114.9 Ų114.973%0.73257%0.566SS**  trans-75.1152.7135.2-79.7-172.8174.3-171.6-0.3108.4A562 D563R560-A562 PolarHBondContact O-N 3.37Å; R560-D563 PolarHBondContact O-N 3.26Å
561R42.3Very low42.8Very low212 Ų212116.7 Ų116.780%0.857%0.568SS**THydrogen-bonded Turntrans-62.9-14.6-168.9-162.4-177.9-72.9171.8-3.7114.5R564R561-R564 WeakPolarHBondContact O-CD 3.1Å; R561-R564 WeakPolarHBondContact O-CG 3.07Å
562A43.1Very low42.6Very low90 Ų90109.4 Ų109.474%0.74456%0.562SS**THydrogen-bonded Turntrans-75.6-36.7177.300000113.1R560 R564R560-A562 PolarHBondContact O-N 3.37Å; A562-R564 VanDerWaalsContact C-N 3.28Å; A562-R564 PolarHBondContact O-N 3.42Å
563D44.2Very low42.8Very low86 Ų86109.8 Ų109.846%0.4656%0.555SS.*  trans-95.431.1-165.1-47.2-58.4000113.2R560 E565 T566R560-D563 PolarHBondContact O-N 3.26Å; D563-E565 PolarHBondContact O-N 3.03Å; D563-T566 HydrophobicContact CB-CG2 4.06Å; D563-T566 PolarHBondContact O-N 3.42Å; D563-T566 PolarHBondContact O-OG1 3.18Å
564R48.7Very low43.1Very low152 Ų152103.4 Ų103.457%0.57453%0.532SS*.THydrogen-bonded Turntrans-63.3-1.3-173.3-86.7176.2157-170.6-7116.3R561 A562 C569R561-R564 WeakPolarHBondContact O-CD 3.1Å; R561-R564 WeakPolarHBondContact O-CG 3.07Å; A562-R564 VanDerWaalsContact C-N 3.28Å; A562-R564 PolarHBondContact O-N 3.42Å; R564-C569 CarbonylContact C-O 3.57Å; R564-C569 VanDerWaalsContact C-O 3.24Å
565E45.9Very low43.1Very low150 Ų150104.9 Ų104.970%0.70154%0.538SS*.THydrogen-bonded Turntrans-116.3-9.6-177.3-62.9-165.516200113.2D563 R570D563-E565 PolarHBondContact O-N 3.03Å; E565-R570 PolarHBondContact O-NH2 2.99Å; E565-R570 VanDerWaalsContact O-NH2 3.1Å
566T41.6Very low43.4Very low42 Ų4298.3 Ų98.326%0.25851%0.512SS..SBendtrans-60.2143.1178.953.10000111.8W556 D563 G568 C569W556-T566 HydrophobicContact CZ3-CG2 4.26Å; D563-T566 HydrophobicContact CB-CG2 4.06Å; D563-T566 PolarHBondContact O-N 3.42Å; D563-T566 PolarHBondContact O-OG1 3.18Å; T566-G568 PolarHBondContact O-N 3.04Å; T566-C569 PolarHBondContact O-N 3Å; T566-C569 WeakPolarHBondContact OG1-CB 3.38Å
567P37.9Very low43.5Very low117 Ų11797.1 Ų97.176%0.7652%0.516SS*.THydrogen-bonded Turntrans-61.511417425.2-32.4000109.2
568G47.2Very low43.8Very low70 Ų7096 Ų9672%0.72250%0.504SS*.THydrogen-bonded Turntrans109.7-9.8-171.900000115.5T566T566-G568 PolarHBondContact O-N 3.04Å
569C45.5Very low43.5Very low8 Ų896.8 Ų96.85%0.05451%0.507CS..  trans-125.774174.8-175.50000112.1C559 R564 T566C559-C569 HydrophobicContact CB-CB 4.47Å; C559-C569 WeakPolarHBondContact CB-SG 3.45Å; C559-C569 WeakPolarHBondContact SG-CB 3.37Å; C559-C569 CovalentContact SG-SG 2.04Å; C559-C569 PolarHBondContact SG-SG 2.89Å; R564-C569 CarbonylContact C-O 3.57Å; R564-C569 VanDerWaalsContact C-O 3.24Å; T566-C569 PolarHBondContact O-N 3Å; T566-C569 WeakPolarHBondContact OG1-CB 3.38Å
570R44.7Very low43.4Very low173 Ų173100.6 Ų100.665%0.65352%0.523SS*.SBendtrans-132.691164.4-67.9-169.4-170.1-148.1-1.9111.7E565E565-R570 PolarHBondContact O-NH2 2.99Å; E565-R570 VanDerWaalsContact O-NH2 3.1Å
571L44.9Very low43.3Very low158 Ų15896 Ų9683%0.82752%0.518SS*.SBendtrans68.966.6164.1-54.3175.8000117.7L573L571-L573 PolarHBondContact O-N 3.01Å
572G44.1Very low43Very low73 Ų7392 Ų9275%0.75352%0.521SS*.SBendtrans79.99.5138.300000118
573L43.9Very low42.6Very low48 Ų4894.8 Ų94.825%0.25152%0.523SS..SBendtrans-126.3149161.8-114.981.3000109.7T483 D509 L571 D575T483-L573 HydrophobicContact CG2-CD1 4.4Å; D509-L573 HydrophobicContact CB-CD2 3.63Å; D509-L573 WeakPolarHBondContact O-CD2 3.01Å; D509-L573 WeakPolarHBondContact OD1-CD2 3.48Å; L571-L573 PolarHBondContact O-N 3.01Å; L573-D575 PolarHBondContact O-N 3.33Å
574H46.4Very low42.6Very low39 Ų3994.3 Ų94.318%0.18154%0.539CS..  trans-93.4105.8-179.2-70.8-101.5000109.8W512 L537 C558W512-H574 VanDerWaalsContact CD1-O 3.26Å; W512-H574 PolarHBondContact NE1-O 3Å; L537-H574 VanDerWaalsContact CD1-CD2 3.44Å; L537-H574 WeakPolarHBondContact CD1-CD2 3.23Å; L537-H574 WeakPolarHBondContact CD1-NE2 3.23Å; L537-H574 HydrophobicContact CD2-CB 4.15Å; L537-H574 WeakPolarHBondContact CD2-CD2 3.4Å; C558-H574 PolarHBondContact SG-CE1 2.91Å
575D41.8Very low41.9Very low62 Ų6293.9 Ų93.933%0.33255%0.553SS.*  trans-82.6116.9171.7-54.70.1000107R511 L573 N577R511-D575 HydrophobicContact CB-CB 3.84Å; R511-D575 WeakPolarHBondContact CB-OD1 3.37Å; R511-D575 WeakPolarHBondContact CD-OD1 3.45Å; R511-D575 WeakPolarHBondContact CD-OD2 3.46Å; R511-D575 IonicContact CZ-OD2 3.4Å; R511-D575 IonicContact NE-OD2 2.91Å; R511-D575 IonicContact NH1-OD2 3.17Å; R511-D575 PolarHBondContact NH1-OD2 3.14Å; R511-D575 WeakPolarHBondContact O-CA 3.13Å; L573-D575 PolarHBondContact O-N 3.33Å; D575-N577 PolarHBondContact O-N 2.91Å; D575-N577 VanDerWaalsContact O-N 3.15Å
576N47.2Very low41.6Very low2 Ų290.4 Ų90.41%0.01156%0.557CS.*  trans-8316.6177.3-45-23.5000111.4R511 W512 N513 Y518 W578R511-N576 PolarHBondContact O-N 3.37Å; R511-N576 VanDerWaalsContact O-N 3.1Å; W512-N576 WeakPolarHBondContact CA-ND2 3.27Å; W512-N576 VanDerWaalsContact CD2-ND2 3.27Å; N513-N576 HydrophobicContact CB-CB 3.73Å; N513-N576 VanDerWaalsContact CB-O 3.28Å; N513-N576 WeakPolarHBondContact CB-O 3.46Å; N513-N576 PolarHBondContact O-ND2 3.06Å; Y518-N576 HydrophobicContact CD1-CB 4.12Å; Y518-N576 WeakPolarHBondContact CD1-ND2 3.41Å; Y518-N576 HydrophobicContact CD2-CB 3.63Å; Y518-N576 HydrophobicContact CE1-CB 4.34Å; Y518-N576 WeakPolarHBondContact CE1-ND2 3.33Å; Y518-N576 WeakPolarHBondContact CE1-OD1 3.38Å; Y518-N576 HydrophobicContact CE2-CB 3.83Å; Y518-N576 VanDerWaalsContact CE2-CG 3.46Å; Y518-N576 VanDerWaalsContact CE2-OD1 3.3Å; Y518-N576 WeakPolarHBondContact CE2-OD1 3.11Å; Y518-N576 HydrophobicContact CG-CB 3.78Å; Y518-N576 PolarHBondContact OH-OD1 3Å; N576-W578 VanDerWaalsContact C-N 3.31Å; N576-W578 VanDerWaalsContact O-CD1 3.27Å; N576-W578 PolarHBondContact O-N 2.85Å
577N42.3Very low41.2Very low115 Ų11591.8 Ų91.862%0.61558%0.58SS**  trans-9359.6-175.6-159.536.5000111.1D575D575-N577 PolarHBondContact O-N 2.91Å; D575-N577 VanDerWaalsContact O-N 3.15Å
578W45.5Very low40.8Very low122 Ų12289.5 Ų89.546%0.46258%0.578SS.*  trans-88.7-9.6175.859-90.7000112.9L517 N576 L580L517-W578 HydrophobicContact CB-CZ2 4.33Å; L517-W578 HydrophobicContact CD1-CH2 4.35Å; N576-W578 VanDerWaalsContact C-N 3.31Å; N576-W578 VanDerWaalsContact O-CD1 3.27Å; N576-W578 PolarHBondContact O-N 2.85Å; W578-L580 VanDerWaalsContact C-N 3.31Å; W578-L580 PolarHBondContact O-N 2.92Å
579V39.1Very low40.2Very low56 Ų5698.2 Ų98.234%0.33959%0.589SS.*  trans-74.985.4173.3-172.50000108.9P581V579-P581 WeakPolarHBondContact O-CD 3.38Å
580L39.3Very low39.8Very low144 Ų144102.5 Ų102.575%0.75463%0.625SS**  trans-63.9123.1154.6-79164.7000107.4W578 C582W578-L580 VanDerWaalsContact C-N 3.31Å; W578-L580 PolarHBondContact O-N 2.92Å; L580-C582 PolarHBondContact O-N 3.27Å; L580-C582 VanDerWaalsContact O-N 3.08Å
581P34.2Very low39.4Very low97 Ų9798 Ų9863%0.6363%0.632SS**  trans-64.6113.1168.4-16.430.5000108.3V579 N583V579-P581 WeakPolarHBondContact O-CD 3.38Å; P581-N583 PolarHBondContact O-N 3.17Å
582C35.8Very low39.1Very low129 Ų129102.3 Ų102.387%0.87264%0.637SS**  trans-72.758.1164.7-74.90000110.5L580L580-C582 PolarHBondContact O-N 3.27Å; L580-C582 VanDerWaalsContact O-N 3.08Å
583N35.7Very low38.6Very low147 Ų147107.5 Ų107.579%0.78664%0.642SS**  trans-101.4117.7166.8-78.7-5.4000107.6P581P581-N583 PolarHBondContact O-N 3.17Å
584G43Very low38.3Very low77 Ų77114.9 Ų114.979%0.79468%0.675SS**  trans-69.1135.9-157.500000114.8G586G584-G586 PolarHBondContact O-N 3.13Å
585V34.3Very low38Very low142 Ų142115.7 Ų115.786%0.86169%0.694SS**  trans-73.9114149.5175.40000106.7G587V585-G587 VanDerWaalsContact C-N 3.29Å; V585-G587 PolarHBondContact O-N 3.37Å
586G39.8Very low37.6Very low77 Ų77127.9 Ų127.979%0.79474%0.735SS**  trans-65.787.5171.200000110.8G584 G588G584-G586 PolarHBondContact O-N 3.13Å; G586-G588 PolarHBondContact O-N 3.23Å; G586-G588 VanDerWaalsContact O-N 3.1Å
587G31.9Very low37.2Very low71 Ų71134.2 Ų134.273%0.73277%0.772SS**  trans-64.1104.9159.500000107.8V585V585-G587 VanDerWaalsContact C-N 3.29Å; V585-G587 PolarHBondContact O-N 3.37Å
588G29.7Very low36.9Very low69 Ų69135.2 Ų135.271%0.71178%0.78SS**  trans-55.8140.4-170.200000112.7G586 A590G586-G588 PolarHBondContact O-N 3.23Å; G586-G588 VanDerWaalsContact O-N 3.1Å; G588-A590 VanDerWaalsContact C-N 3.28Å; G588-A590 PolarHBondContact O-N 3.29Å
589R35.8Very low36.4Very low254 Ų254135.9 Ų135.996%0.95880%0.797SS**  trans-60.493.9161.7-79.2-179.4165.6-165.6-4.3108.3G591R589-G591 PolarHBondContact O-N 3.42Å; R589-G591 VanDerWaalsContact O-N 3.13Å
590A35.7Very low36.2Very low98 Ų98140.6 Ų140.681%0.8182%0.824SS**  trans-64.3109159.100000106.7G588 R592G588-A590 VanDerWaalsContact C-N 3.28Å; G588-A590 PolarHBondContact O-N 3.29Å; A590-R592 PolarHBondContact O-N 3.39Å
591G37.6Very low36.1Very low77 Ų77140.4 Ų140.479%0.79483%0.829SS**  trans-61.1130.8177.100000109.6R589R589-G591 PolarHBondContact O-N 3.42Å; R589-G591 VanDerWaalsContact O-N 3.13Å
592R37.4Very low36.2Very low250 Ų250143.3 Ų143.394%0.94384%0.842SS**  trans-102.4108.6159.9-155.3175.2-166.5-1672107.7A590A590-R592 PolarHBondContact O-N 3.39Å
593E34.6Very low36.2Very low181 Ų181144.4 Ų144.485%0.84684%0.84SS**  trans-43125.5179.8-163.6175159.200113
594E37Very low36.3Very low203 Ų203144.2 Ų144.295%0.94984%0.844SS**  trans-88.9115.5161.3-179.1170.4-167.100106.8
595G41.5Very low35.7Very low56 Ų56149.8 Ų149.858%0.57785%0.848SS**  trans-157.769.5-159.200000115.1
596R33.2Very low35.8Very low319 Ų319150.5 Ų150.5100%1.20485%0.847SS**  trans79.70164.1-166-178.5-68.9-109.61.2118.3

Retrieved 596 of 596 residues in 176.4 ms (Link to these results)