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Tumor protein p73

Participates in the apoptotic response to DNA damage. Isoforms containing the transactivation domain are pro-apoptotic, isoforms lacking the domain are anti-apoptotic and block the function of p53 and transactivating p73 isoforms. May be a tumor suppressor protein.

AlphaFold DB , UniProt , Accession Z4YK94, Species MOUSE (Mus musculus, Mouse), Gene Trp73, Length 638 aa.

Structure Viewer
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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33Very low29.2Very low235 Ų235133.5 Ų133.5100%1.15883%0.826SS**  0141.90-65.3154.280.600107.1
2S29Very low29Very low123 Ų123130.6 Ų130.686%0.8682%0.815SS**  trans40.9116.7165.850.80000118.2
3G29.3Very low29.1Very low77 Ų77128.5 Ų128.579%0.79481%0.808SS**  97.8141.761.400000108.8
4S29.1Very low29.2Very low116 Ų116127.4 Ų127.481%0.81181%0.806SS**  cis-121.6152.815-76.30000111.2
5V31.5Very low29.5Very low135 Ų135126.2 Ų126.282%0.81880%0.804SS**  75.8121.151.3179.70000113.4
6G28.8Very low30.1Very low79 Ų79124.3 Ų124.381%0.81480%0.795SS**  trans176.784.8-17800000112.5
7E29.1Very low30.7Very low173 Ų173122.4 Ų122.481%0.80879%0.786SS**  trans-79.7176.8177.1-78170.766.400113.3
8M26.9Very low31.4Very low154 Ų154121.7 Ų121.776%0.75978%0.78SS**  cis178.1128-35.5176.8-173.9-101.600108.3
9A25.9Very low31.9Very low90 Ų90123.3 Ų123.374%0.74477%0.774SS**  trans176133.6157.800000108.2
10Q29.5Very low32.3Very low162 Ų162124.4 Ų124.476%0.75777%0.769SS**  cis69.312535.8-62.7-158.425.100114.1
11T28.5Very low32.6Very low124 Ų124125.6 Ų125.676%0.76177%0.766SS**  cis-134.6-179.91.356.80000109.4
12S27.8Very low33Very low99 Ų99120.5 Ų120.569%0.69274%0.742SS**  cis-169.1160.937.555.60000115.3
13S29.5Very low33.9Very low104 Ų104124.2 Ų124.273%0.72774%0.738SS**  trans-5.9154.4153.649.30000121.4
14S30.2Very low34.2Very low112 Ų112125.1 Ų125.178%0.78373%0.732SS**  cis-178.4147.3-246.40000112
15S34.3Very low34.5Very low110 Ų110124 Ų12477%0.76972%0.724SS**SBendtrans-166.4-13.7159.560.20000118.1S17S15-S17 PolarHBondContact O-N 3.37Å
16S39Very low34.7Very low96 Ų96124.7 Ų124.767%0.67172%0.722SS**THydrogen-bonded Turntrans-76.7-14.9-16457.30000117.3T18 F19S16-T18 PolarHBondContact O-N 2.9Å; S16-T18 VanDerWaalsContact O-N 3.12Å; S16-F19 PolarHBondContact O-N 3.22Å
17S41Very low35Very low91 Ų91129.8 Ų129.864%0.63673%0.725SS**Hα-helixtrans-69-12.1-169.155.30000115.6S15S15-S17 PolarHBondContact O-N 3.37Å
18T43.4Very low35.7Very low110 Ų110127.4 Ų127.468%0.67573%0.725SS**Hα-helixtrans-84.6-18.7179.9-34.70000113.2S16S16-T18 PolarHBondContact O-N 2.9Å; S16-T18 VanDerWaalsContact O-N 3.12Å
19F40Very low35.7Very low153 Ų153128.5 Ų128.567%0.67173%0.733SS**Hα-helixtrans-89.6-40.2-171.7-159.2-97.6000113S16 H21 L22S16-F19 PolarHBondContact O-N 3.22Å; F19-H21 VanDerWaalsContact C-N 3.34Å; F19-H21 PolarHBondContact O-N 2.94Å; F19-L22 PolarHBondContact O-N 3.32Å
20E40.6Very low35.9Very low144 Ų144129.2 Ų129.267%0.67373%0.733SS**Hα-helixtrans-53-48177.4-69.6-89.7115.900112.2L22 W23 S24E20-L22 PolarHBondContact O-N 3.25Å; E20-L22 VanDerWaalsContact O-N 3.14Å; E20-W23 PolarHBondContact O-N 3.33Å; E20-S24 PolarHBondContact O-N 3.49Å; E20-S24 PolarHBondContact O-OG 3.06Å
21H39.1Very low36Very low151 Ų151128 Ų12870%0.69974%0.737SS**Hα-helixtrans-62.9-21.7-176.4-80.7-63.8000114.9F19 S25F19-H21 VanDerWaalsContact C-N 3.34Å; F19-H21 PolarHBondContact O-N 2.94Å; H21-S25 PolarHBondContact O-OG 3.45Å
22L40.3Very low35.8Very low127 Ų127130.1 Ų130.167%0.66573%0.732SS**Hα-helixtrans-79-28.9173.5-77.2166.2000112.2F19 E20F19-L22 PolarHBondContact O-N 3.32Å; E20-L22 PolarHBondContact O-N 3.25Å; E20-L22 VanDerWaalsContact O-N 3.14Å
23W47.6Very low35.8Very low202 Ų202133.3 Ų133.377%0.76573%0.734SS**Hα-helixtrans-82.9-33.2-177.2-151.7-96.6000112.6E20 S25E20-W23 PolarHBondContact O-N 3.33Å; W23-S25 PolarHBondContact O-N 2.97Å; W23-S25 VanDerWaalsContact O-N 3.07Å
24S36.8Very low35.7Very low96 Ų96134 Ų13467%0.67173%0.729SS**THydrogen-bonded Turntrans-69.92.3175.9-44.50000115E20E20-S24 PolarHBondContact O-N 3.49Å; E20-S24 PolarHBondContact O-OG 3.06Å
25S34.3Very low35.7Very low92 Ų92136.1 Ų136.164%0.64373%0.731SS**THydrogen-bonded Turntrans-98.710-178.8-59.10000113.7H21 W23H21-S25 PolarHBondContact O-OG 3.45Å; W23-S25 PolarHBondContact O-N 2.97Å; W23-S25 VanDerWaalsContact O-N 3.07Å
26L36.4Very low35.6Very low149 Ų149136.6 Ų136.678%0.7873%0.732SS**  trans-134.976.4-177-71.1172.9000111.6
27E35.3Very low35.1Very low186 Ų186140.7 Ų140.787%0.86974%0.74SS**  trans-107.5154.3158.2-71.9-156126.700110.9
28P43Very low34.7Very low124 Ų124142 Ų14281%0.80575%0.746SS**  trans-10799.7-162.236.7-26.8000113.5
29D27.8Very low33.9Very low176 Ų176141.1 Ų141.194%0.94175%0.745SS**  trans-79.4133.3167.9-92.4-35.7000112
30S29.7Very low33.4Very low105 Ų105143.3 Ų143.373%0.73476%0.757SS**  trans-130.7125.7179.1173.30000109.8
31T30.3Very low32.7Very low136 Ų136140.1 Ų140.183%0.83476%0.763SS**  trans-173.6124.4144.214.30000114.5
32Y26.2Very low32.2Very low170 Ų170139.2 Ų139.267%0.66777%0.768SS**  62.7109120.2-163.4-119.5000122.2
33F27.7Very low31.6Very low166 Ų166137.8 Ų137.873%0.72877%0.769SS**  -179.2108.2117.2-105.7-84.9000106.2
34D27.3Very low30.6Very low118 Ų118137 Ų13763%0.63177%0.774SS**  89.9140.576.7-16010.8000113.3
35L29.2Very low30.1Very low157 Ų157136.5 Ų136.582%0.82278%0.775SS**  trans-158.8127.1-176.3-108.2140.1000110.2
36P33.3Very low29.8Very low120 Ų120138 Ų13878%0.77979%0.785SS**  trans-80.2147.2-16931.3-36.4000114.3
37Q29Very low29.3Very low181 Ų181134.7 Ų134.785%0.84679%0.788SS**  trans-74.3165.1159.8-68.7-171.5-7.600111.3
38P31.2Very low28.9Very low118 Ų118130.8 Ų130.877%0.76678%0.781SS**  -137136.1107.636.2-25.7000115.9
39S26.8Very low28.2Very low93 Ų93133.2 Ų133.265%0.6578%0.782SS**  trans29.5117.8144.361.10000122.3
40Q29.1Very low28.2Very low198 Ų198133.5 Ų133.593%0.92578%0.777SS**  21.2132.1128.3-66.2178.7-33.300121.1
41G26.2Very low28.1Very low77 Ų77133.7 Ų133.779%0.79478%0.779SS**  trans-158.6144.2154.500000110.1
42T28.1Very low27.8Very low133 Ų133134.5 Ų134.582%0.81678%0.778SS**  trans-128.5167.1-169.854.60000113.9
43S28.3Very low27.8Very low97 Ų97133.5 Ų133.568%0.67878%0.781SS**  trans88.7107.2156.3-55.20000119.9
44E27.1Very low27.7Very low185 Ų185132 Ų13286%0.86478%0.781SS**  55.6144121.9-62.1-172.6109.700124.8
45A26.7Very low27.8Very low85 Ų85132 Ų13270%0.70278%0.784SS**  trans83.4108.3141.900000122.1
46S26.9Very low27.7Very low123 Ų123133.3 Ų133.386%0.8678%0.784SS**  trans39.2130.5131.463.20000122.2
47G25.5Very low27.3Very low81 Ų81135.5 Ų135.584%0.83578%0.784SS**  trans175.6121.3159.900000114.7
48S27.4Very low27.2Very low103 Ų103134.4 Ų134.472%0.7278%0.783SS**  trans-76.6157.1-176.8450000116.6
49E29.1Very low26.9Very low176 Ų176136.9 Ų136.982%0.82278%0.784SS**  trans85131.2142.8-78.1164-17200123.4
50E28.1Very low26.9Very low181 Ų181135.5 Ų135.585%0.84679%0.785SS**  trans38.6135.6151.5-47.8-156.4135.700121.3
51S26.6Very low26.6Very low109 Ų109135.1 Ų135.176%0.76279%0.785SS**  -175.8166.953.548.10000115.1
52N24Very low26.6Very low154 Ų154136.5 Ų136.582%0.82479%0.789SS**  trans86.5155.2151.6-137.6-11000120.7
53M25.6Very low26.5Very low149 Ų149138.4 Ų138.473%0.73479%0.788SS**  trans-86.1170.7-172.9-64.1-174.958.900110.7
54D26.6Very low26.4Very low134 Ų134144.4 Ų144.472%0.71780%0.803SS**  -164.9170.957.8-139.5-24.5000116.4
55V28.7Very low26.4Very low117 Ų117142 Ų14271%0.70980%0.796SS**  trans-88.8128.8-176.21730000111
56F27.4Very low26.6Very low185 Ų185144.7 Ų144.781%0.81180%0.798SS**  trans-10599.9169.7-94.3-82000113.4
57H25.1Very low26.7Very low167 Ų167146.6 Ų146.677%0.77380%0.797SS**  trans-89.7134157.5-165.486.5000108
58L26.9Very low26.7Very low158 Ų158148.1 Ų148.183%0.82780%0.795SS**  trans-136.9101.3-177.8-162.474.3000112.5
59Q25.2Very low26.7Very low169 Ų169148.6 Ų148.679%0.7980%0.799SS**  trans-126.885.3179.3177.564.228.500110.2
60G25.5Very low26.6Very low65 Ų65145 Ų14567%0.6780%0.799SS**  trans59.3147.3152.800000121.4
61M23.5Very low26.8Very low190 Ų190143.9 Ų143.994%0.93680%0.796SS**  trans-168.5128.2139.1-111.3-170.6-173.100112.1
62A26Very low27.1Very low105 Ų105145 Ų14587%0.86879%0.793SS**  trans-162.1133.6150.400000108.4
63Q25.8Very low27.5Very low173 Ų173144.1 Ų144.181%0.80878%0.784SS**  trans-101.2148.4-178.6-59.9164.1-56.800110.4
64F27.3Very low27.6Very low223 Ų223144.9 Ų144.998%0.97879%0.788SS**  trans-143155.5142.3-101-76000109.4
65N26.4Very low27.7Very low136 Ų136141.5 Ų141.573%0.72779%0.785SS**  trans-136.7150-153.3-154.25.9000112.4
66L30.4Very low27.8Very low140 Ų140141.6 Ų141.673%0.73379%0.79SS**  trans59.4122.4165.2-58.8167.6000119
67L29.8Very low28Very low163 Ų163144.4 Ų144.485%0.85380%0.796SS**  -174.6155.6104.4-104.6161.6000114.7
68S25.8Very low28.2Very low113 Ų113141 Ų14179%0.7980%0.797SS**  trans70.7118.8159.4-600000120.4
69S26.5Very low28.5Very low114 Ų114138.1 Ų138.180%0.79780%0.795SS**  trans-94.5160173.8-45.60000112.8
70A28.4Very low29.5Very low99 Ų99136.2 Ų136.282%0.81880%0.797SS**  trans-140.8110158.300000111.5
71M32.2Very low29.7Very low159 Ų159137.8 Ų137.878%0.78380%0.804SS**  trans-71.6167157.250.6-86.4158.600109.4
72D31.4Very low30Very low131 Ų131134.3 Ų134.370%0.70180%0.799SS**  cis-163.3-172.315.5-143.2-4.6000108.3
73Q32.5Very low30.9Very low136 Ų136134 Ų13464%0.63679%0.788SS**  cis-161.6159.91.6-155.3170.59500110.5
74M28.3Very low31Very low165 Ų165136.2 Ų136.281%0.81379%0.79SS**  trans67.2140.5151.6-147169.9-60.200120.9
75G29.3Very low31.3Very low64 Ų64131.7 Ų131.766%0.6678%0.781SS**  cis144.6121.6-17.200000116
76S30.3Very low32.1Very low118 Ų118131.1 Ų131.183%0.82579%0.785SS**  trans161.9118.3154.7-81.80000110.5
77R32.5Very low32.2Very low245 Ų245132.1 Ų132.193%0.92579%0.786SS**  76.7138.283.9-96.9-172.4162.4169.3-4.9114.2
78A28.5Very low32.5Very low96 Ų96132.8 Ų132.879%0.79378%0.784SS**  cis-156.8172.2-0.200000112
79A33.7Very low32.6Very low96 Ų96132.1 Ų132.179%0.79379%0.785SS**  trans-133.8148.816900000111.3
80P46Very low33.2Very low129 Ų129131.5 Ų131.584%0.83879%0.787SS**  -146.1171126.635.7-19.8000112.6
81A29Very low33.3Very low99 Ų99132.5 Ų132.582%0.81879%0.789SS**  cis-163.6172-23.100000110.1
82S30Very low33.4Very low116 Ų116129.2 Ų129.281%0.81179%0.786SS**  trans-47.7175.9177.3-118.30000118
83P44.7Very low33.8Very low99 Ų99128.8 Ų128.864%0.64379%0.791SS**  cis-140-172.74.134.4-11.3000117.1
84Y28.8Very low33.8Very low219 Ų219128.9 Ų128.986%0.85980%0.801SS**  trans121.6138.7155.7-78.8-79000118.4
85T32Very low34.2Very low128 Ų128130 Ų13079%0.78580%0.804SS**  trans-128.8159.1170.347.50000106.8
86P44.5Very low34.4Very low125 Ų125131.6 Ų131.681%0.81281%0.805SS**  -145.6-152.353.743.2-20.9000115.9
87E32.9Very low35.1Very low161 Ų161132.2 Ų132.275%0.75281%0.806SS**  trans-67.5172-162.7-72170.880.500119.4
88H35Very low35.7Very low176 Ų176130.5 Ų130.582%0.81580%0.801SS**  trans92158.4153.2-73.3-41.5000120.6
89A27.7Very low36.2Very low99 Ų99130.1 Ų130.182%0.81880%0.798SS**  trans83.9132.4173.500000118.5
90A39.9Very low36.3Very low101 Ų101132.6 Ų132.684%0.83579%0.793SS**  trans-59.5154.3-175.200000115
91S29.6Very low36.1Very low121 Ų121132.2 Ų132.285%0.84679%0.791SS**  trans-138.6119.2163.5-71.80000109.5
92A35.4Very low36.5Very low89 Ų89132.7 Ų132.774%0.73679%0.788SS**PPolyproline II helixtrans-75.5146.1171.900000110.1T94A92-T94 PolarHBondContact O-N 2.89Å
93P38.3Very low36.9Very low122 Ų122131.9 Ų131.979%0.79278%0.782SS**PPolyproline II helixtrans-67.8126.3177.727.6-33.4000110.8
94T33.6Very low36.7Very low139 Ų139133.4 Ų133.485%0.85379%0.79SS**PPolyproline II helixtrans-70.7133.4175.137.20000111.2A92 S96A92-T94 PolarHBondContact O-N 2.89Å; T94-S96 PolarHBondContact O-N 3.32Å
95H35.9Very low37.4Very low187 Ų187130.1 Ų130.187%0.86678%0.78SS**PPolyproline II helixtrans-71.8123.7176.8-84.7-104.7000111.8
96S33.2Very low38Very low99 Ų99132.1 Ų132.169%0.69279%0.786SS**PPolyproline II helixtrans-74.1130.8159.7-80.90000110T94 Y98T94-S96 PolarHBondContact O-N 3.32Å; S96-Y98 PolarHBondContact O-N 3.1Å
97P44.9Very low37.7Very low131 Ų131130.8 Ų130.885%0.85178%0.776SS**THydrogen-bonded Turntrans-79.217.3-168.333.3-38.5000114.9
98Y45.8Very low38.2Very low209 Ų209131.9 Ų131.982%0.8278%0.783SS**THydrogen-bonded Turntrans-143.324.9-174.5-130.2-92.8000115.2S96S96-Y98 PolarHBondContact O-N 3.1Å
99A38.9Very low38.3Very low87 Ų87128.5 Ų128.572%0.71978%0.78SS**  trans-76120.8162.200000109.3
100Q36.8Very low39.6Very low148 Ų148128.2 Ų128.269%0.69277%0.769SS**  trans-61.3150.8167.1-68.1-72.9-7400109.6S102Q100-S102 VanDerWaalsContact C-N 3.32Å; Q100-S102 PolarHBondContact O-N 3.29Å
101P40.4Very low40.6Very low122 Ų122126.5 Ų126.579%0.79276%0.755SS**  trans-70.588.8176.129.6-34.4000110.4S103P101-S103 PolarHBondContact O-N 3.11Å
102S37.3Very low42.4Very low108 Ų108125.8 Ų125.876%0.75575%0.747SS**  trans-51.9122.5163.9-63.50000108.6Q100 T104Q100-S102 VanDerWaalsContact C-N 3.32Å; Q100-S102 PolarHBondContact O-N 3.29Å; S102-T104 PolarHBondContact O-N 3.38Å
103S39.6Very low44.3Very low100 Ų100125.7 Ų125.770%0.69974%0.738SS**  trans-57.1107.2-172.2-175.80000111.3P101 F105P101-S103 PolarHBondContact O-N 3.11Å; S103-F105 PolarHBondContact O-N 3Å
104T39.7Very low46.5Very low131 Ų131124.1 Ų124.180%0.80472%0.722SS**  trans-75.167.5171.354.30000109.6S102S102-T104 PolarHBondContact O-N 3.38Å
105F43.2Very low49.1Very low149 Ų149118.8 Ų118.865%0.65469%0.689SS**  trans-113.623171.3-135.5-84.7000112.4S103 T107S103-F105 PolarHBondContact O-N 3Å; F105-T107 PolarHBondContact O-N 3.45Å
106D44.4Very low51.6Low171 Ų171112.7 Ų112.791%0.91467%0.668SS**  trans-70.650.9152.6-69.7-54.7000110.5
107T39Very low54.4Low97 Ų97111.6 Ų111.660%0.59565%0.654SS**SBendtrans-116.3124.6166.4-64.80000105.7F105 S109F105-T107 PolarHBondContact O-N 3.45Å; T107-S109 PolarHBondContact O-N 2.7Å; T107-S109 VanDerWaalsContact O-N 3.09Å
108M43.2Very low56.7Low184 Ų184109.5 Ų109.591%0.90664%0.639SS**  trans-46.4117.1-170-60178.4-176.300111.4P110M108-P110 WeakPolarHBondContact O-CD 3.4Å
109S38.1Very low59.1Low105 Ų105102.1 Ų102.173%0.73461%0.614SS**  trans-52.2115.3173.2-73.60000108.7T107 A111T107-S109 PolarHBondContact O-N 2.7Å; T107-S109 VanDerWaalsContact O-N 3.09Å; S109-A111 PolarHBondContact O-N 3.04Å
110P55Low61.9Low92 Ų92102.8 Ų102.860%0.59760%0.599SS**PPolyproline II helixtrans-62133.8-172.223.3-33000109.7M108M108-P110 WeakPolarHBondContact O-CD 3.4Å
111A59.7Low64.8Low65 Ų6598.5 Ų98.554%0.53758%0.583SS.*PPolyproline II helixtrans-54.4140.5178.600000110.1S109 V113S109-A111 PolarHBondContact O-N 3.04Å; A111-V113 PolarHBondContact O-N 3.44Å; A111-V113 VanDerWaalsContact O-N 3.08Å
112P67Low67.4Low106 Ų10693.3 Ų93.369%0.68855%0.553SS**PPolyproline II helixtrans-54.2119.1-173.7-29.436000112.8I114P112-I114 CarbonylContact O-C 3.46Å; P112-I114 VanDerWaalsContact O-C 3.27Å; P112-I114 PolarHBondContact O-N 3.11Å
113V76.9Confident70.3Confident87 Ų8792.1 Ų92.153%0.52754%0.542SS..SBendtrans-52.8-29.1-176.5179.20000112.5A111 T230 R232A111-V113 PolarHBondContact O-N 3.44Å; A111-V113 VanDerWaalsContact O-N 3.08Å; V113-T230 HydrophobicContact CB-CG2 4.37Å; V113-T230 HydrophobicContact CG1-CG2 4.24Å; V113-T230 HydrophobicContact CG2-CG2 4.41Å; V113-R232 PolarHBondContact O-NE 3.14Å; V113-R232 VanDerWaalsContact O-NE 3.07Å; V113-R232 PolarHBondContact O-NH2 2.66Å
114I84.4Confident73Confident89 Ų8988.5 Ų88.546%0.45651%0.514SS..SBendtrans-103.6107.6166.7-59.6173.2000107.8P112 V186 T187P112-I114 CarbonylContact O-C 3.46Å; P112-I114 VanDerWaalsContact O-C 3.27Å; P112-I114 PolarHBondContact O-N 3.11Å; I114-V186 HydrophobicContact CD1-CG1 3.92Å; I114-V186 HydrophobicContact CG1-CG1 4.21Å; I114-V186 HydrophobicContact CG2-CG1 4.1Å; I114-V186 HydrophobicContact CG2-CG2 3.94Å; I114-T187 HydrophobicContact CD1-CG2 4.48Å
115P86.9Confident75.7Confident27 Ų2787.3 Ų87.318%0.17550%0.499CS..  trans-69.6135.6176.330-35.8000110.1N117 M177 V179 I273P115-N117 PolarHBondContact O-N 3.44Å; P115-M177 HydrophobicContact CB-CE 3.57Å; P115-M177 HydrophobicContact CG-CE 3.67Å; P115-M177 HydrophobicContact CG-SD 4.36Å; P115-V179 HydrophobicContact CG-CG1 3.79Å; P115-I273 HydrophobicContact CB-CD1 4.38Å; P115-I273 HydrophobicContact CG-CD1 4.33Å
116S89.4Confident78.3Confident60 Ų6080.2 Ų80.242%0.4247%0.468SS..  trans-69.1131.2179.8172.10000110.9T118 R286S116-T118 PolarHBondContact OG-N 3.19Å; S116-T118 PolarHBondContact OG-OG1 2.92Å; S116-R286 PolarHBondContact O-NH1 3.37Å; S116-R286 PolarHBondContact OG-NH1 3.33Å
117N90.8Very high80.8Confident75 Ų7576.1 Ų76.140%0.40144%0.444SS..  trans-94.22.9178.561.9-7.4000114P115 D119 L271 I273 S288P115-N117 PolarHBondContact O-N 3.44Å; N117-D119 PolarHBondContact O-N 3.3Å; N117-L271 HydrophobicContact CB-CD1 3.8Å; N117-L271 WeakPolarHBondContact ND2-CD1 3.46Å; N117-I273 HydrophobicContact CB-CD1 4.23Å; N117-S288 PolarHBondContact O-OG 2.85Å; N117-S288 VanDerWaalsContact O-OG 3.05Å
118T94Very high83.6Confident88 Ų8872.5 Ų72.554%0.5442%0.421SS..  trans-67.1129.4179.8-430000111.6S116 Y120 R286S116-T118 PolarHBondContact OG-N 3.19Å; S116-T118 PolarHBondContact OG-OG1 2.92Å; T118-Y120 PolarHBondContact O-N 3.03Å; T118-R286 VanDerWaalsContact O-CZ 3.28Å; T118-R286 PolarHBondContact O-NH1 2.95Å
119D96.5Very high86.1Confident54 Ų5466 Ų6629%0.28939%0.392SS..  trans-60.4129172.1-68.9-27.6000109.9N117 K148 R287 S288N117-D119 PolarHBondContact O-N 3.3Å; D119-K148 IonicContact OD2-NZ 2.77Å; D119-K148 PolarHBondContact OD2-NZ 3.1Å; D119-R287 WeakPolarHBondContact OD1-CA 3.41Å; D119-S288 PolarHBondContact OD1-N 3.13Å; D119-S288 PolarHBondContact OD1-OG 3.21Å
120Y97.6Very high88.9Confident101 Ų10162.2 Ų62.240%0.39636%0.362SS..BIsolated β-bridgetrans-137.4106.6179.9167.8-110.2000109.2T118 G122 R286 R287T118-Y120 PolarHBondContact O-N 3.03Å; Y120-G122 VanDerWaalsContact C-N 3.3Å; Y120-G122 VanDerWaalsContact CZ-CA 3.41Å; Y120-G122 PolarHBondContact O-N 3.34Å; Y120-R286 CarbonylContact C-O 3.56Å; Y120-R286 PolarHBondContact N-O 3.37Å; Y120-R286 PolarHBondContact O-N 3.42Å; Y120-R287 VanDerWaalsContact C-NH1 3.33Å; Y120-R287 PolarHBondContact O-NH1 2.94Å
121P97.1Very high90.6Very high57 Ų5763.6 Ų63.637%0.3736%0.361SS..  trans-62.1-36.3179.6-20.631.2000113.2H125 F126P121-H125 PolarHBondContact O-N 3.15Å; P121-F126 WeakPolarHBondContact O-CB 3.3Å; P121-F126 PolarHBondContact O-N 3.09Å
122G96.5Very high91.8Very high14 Ų1469.9 Ų69.914%0.14438%0.379CS..THydrogen-bonded Turntrans61.9-177.1-175.100000114.3Y120 H124 H125 L284Y120-G122 VanDerWaalsContact C-N 3.3Å; Y120-G122 VanDerWaalsContact CZ-CA 3.41Å; Y120-G122 PolarHBondContact O-N 3.34Å; G122-H124 PolarHBondContact O-N 2.88Å; G122-H125 PolarHBondContact O-N 2.84Å; G122-H125 VanDerWaalsContact O-N 3.15Å; G122-L284 WeakPolarHBondContact CA-O 3.35Å
123P96.7Very high92.8Very high82 Ų8265.8 Ų65.853%0.53235%0.353SS..THydrogen-bonded Turntrans-63.4-20.5-174.424.3-35.1000114.5L284P123-L284 WeakPolarHBondContact CD-O 3.47Å
124H96.2Very high93.3Very high24 Ų2465.2 Ų65.211%0.11135%0.353CS..THydrogen-bonded Turntrans-95.23.9179.8-62.4-67000113.9G122 F126 V164 S165 T166 P167 L276G122-H124 PolarHBondContact O-N 2.88Å; H124-F126 VanDerWaalsContact C-N 3.29Å; H124-F126 PolarHBondContact O-N 3.26Å; H124-V164 HydrophobicContact CB-CB 4.31Å; H124-V164 HydrophobicContact CB-CG1 4.19Å; H124-V164 CarbonylContact O-C 3.56Å; H124-V164 WeakPolarHBondContact O-CA 3.38Å; H124-S165 PolarHBondContact O-N 3.04Å; H124-T166 PolarHBondContact ND1-O 3.21Å; H124-T166 VanDerWaalsContact ND1-O 3.14Å; H124-T166 PolarHBondContact ND1-OG1 3.44Å; H124-P167 PolarHBondContact CE1-O 2.75Å; H124-L276 HydrophobicContact CB-CD2 4.11Å
125H96.8Very high93.5Very high107 Ų10764.6 Ų64.650%0.49535%0.353SS..THydrogen-bonded Turntrans49.851-173.7-66-103.8000111.7P121 G122 E127 S165P121-H125 PolarHBondContact O-N 3.15Å; G122-H125 PolarHBondContact O-N 2.84Å; G122-H125 VanDerWaalsContact O-N 3.15Å; H125-E127 PolarHBondContact O-N 3.12Å; H125-S165 WeakPolarHBondContact CB-OG 3.35Å
126F98Very high93.7Very high0 Ų065.2 Ų65.20%036%0.361CS..  trans-62.4122.4-176.4177.7-105.1000111.9P121 H124 V128 I162 V164 I174 I274 L276 R287P121-F126 WeakPolarHBondContact O-CB 3.3Å; P121-F126 PolarHBondContact O-N 3.09Å; H124-F126 VanDerWaalsContact C-N 3.29Å; H124-F126 PolarHBondContact O-N 3.26Å; F126-V128 HydrophobicContact CE1-CG2 3.85Å; F126-V128 HydrophobicContact CZ-CG2 3.88Å; F126-I162 HydrophobicContact CD2-CG2 4.32Å; F126-I162 HydrophobicContact CE2-CG2 3.59Å; F126-I162 HydrophobicContact CZ-CD1 4.47Å; F126-I162 HydrophobicContact CZ-CG2 4.41Å; F126-V164 HydrophobicContact CD2-CG1 4.04Å; F126-I174 HydrophobicContact CE2-CD1 3.72Å; F126-I174 HydrophobicContact CZ-CD1 4.24Å; F126-I274 HydrophobicContact CE1-CG2 4.39Å; F126-I274 HydrophobicContact CZ-CG2 3.88Å; F126-L276 HydrophobicContact CB-CD2 4.3Å; F126-L276 HydrophobicContact CD1-CB 4.44Å; F126-L276 HydrophobicContact CD2-CB 3.57Å; F126-L276 HydrophobicContact CD2-CD1 4.28Å; F126-L276 HydrophobicContact CD2-CD2 3.98Å; F126-L276 HydrophobicContact CD2-CG 4.16Å; F126-L276 HydrophobicContact CE2-CB 3.74Å; F126-L276 HydrophobicContact CE2-CD1 4.32Å; F126-L276 HydrophobicContact CE2-CG 4.49Å; F126-L276 HydrophobicContact CG-CB 3.93Å; F126-L276 HydrophobicContact CG-CD2 4.41Å; F126-L276 HydrophobicContact CZ-CB 4.26Å; F126-R287 HydrophobicContact CD1-CG 4.15Å; F126-R287 HydrophobicContact CE1-CB 4.31Å; F126-R287 HydrophobicContact CE1-CG 4.25Å; F126-R287 PolarHBondContact O-NE 3.4Å; F126-R287 PolarHBondContact O-NH1 3.41Å; F126-R287 VanDerWaalsContact O-NH1 3.12Å; F126-R287 PolarHBondContact O-NH2 3.24Å
127E97.3Very high93.6Very high85 Ų8571.6 Ų71.640%0.39738%0.381SS..EExtended strand (participates in β ladder)trans-130.3149.4-179-74.7-174.6168.800112.2H125 K163H125-E127 PolarHBondContact O-N 3.12Å; E127-K163 HydrophobicContact CB-CB 4.31Å; E127-K163 PolarHBondContact N-O 3.27Å; E127-K163 PolarHBondContact O-N 3.03Å
128V97.8Very high93.6Very high20 Ų2073 Ų7312%0.12140%0.396CS..EExtended strand (participates in β ladder)trans-122.3112.4176.9172.70000106.7F126 F130 I160 Q161 I162 I274 R287 F289F126-V128 HydrophobicContact CE1-CG2 3.85Å; F126-V128 HydrophobicContact CZ-CG2 3.88Å; V128-F130 HydrophobicContact CG1-CE2 4.12Å; V128-F130 HydrophobicContact CG1-CZ 4.18Å; V128-I160 HydrophobicContact CG1-CG2 3.47Å; V128-I160 VanDerWaalsContact CG1-CG2 3.47Å; V128-Q161 WeakPolarHBondContact CA-O 3.35Å; V128-I162 HydrophobicContact CG2-CD1 4.08Å; V128-I274 HydrophobicContact CG1-CD1 4.21Å; V128-I274 HydrophobicContact CG2-CB 4.22Å; V128-I274 HydrophobicContact CG2-CD1 4.3Å; V128-I274 HydrophobicContact CG2-CG2 4.37Å; V128-R287 HydrophobicContact CB-CB 3.99Å; V128-R287 HydrophobicContact CB-CG 4.19Å; V128-R287 HydrophobicContact CG2-CB 3.7Å; V128-R287 HydrophobicContact CG2-CG 4.02Å; V128-F289 HydrophobicContact CG1-CE1 4.29Å
129T96.4Very high93.6Very high48 Ų4869.4 Ų69.429%0.29438%0.375SS..EExtended strand (participates in β ladder)trans-114.5162.4-18061.40000111.2Q161T129-Q161 PolarHBondContact N-O 3.12Å; T129-Q161 WeakPolarHBondContact O-CB 3.32Å; T129-Q161 PolarHBondContact O-N 2.87Å; T129-Q161 VanDerWaalsContact OG1-CB 3.22Å; T129-Q161 WeakPolarHBondContact OG1-CB 3.13Å; T129-Q161 PolarHBondContact OG1-OE1 3.32Å
130F95.7Very high93.6Very high26 Ų2669.3 Ų69.311%0.11438%0.377CS..  trans-129.5129.6-179.9-61.3-93.5000107.9V128 Y143 L150 I160 F289V128-F130 HydrophobicContact CG1-CE2 4.12Å; V128-F130 HydrophobicContact CG1-CZ 4.18Å; F130-Y143 HydrophobicContact CB-CD1 3.9Å; F130-Y143 HydrophobicContact CB-CG 3.82Å; F130-Y143 HydrophobicContact CD1-CD2 4.1Å; F130-Y143 HydrophobicContact CD1-CG 4.12Å; F130-Y143 AromaticContact CD2-CD1 3.56Å; F130-Y143 HydrophobicContact CD2-CD1 3.56Å; F130-Y143 AromaticContact CD2-CD2 3.53Å; F130-Y143 HydrophobicContact CD2-CD2 3.53Å; F130-Y143 AromaticContact CD2-CE1 3.62Å; F130-Y143 HydrophobicContact CD2-CE1 3.62Å; F130-Y143 AromaticContact CD2-CE2 3.62Å; F130-Y143 HydrophobicContact CD2-CE2 3.62Å; F130-Y143 AromaticContact CD2-CG 3.49Å; F130-Y143 HydrophobicContact CD2-CG 3.49Å; F130-Y143 VanDerWaalsContact CD2-CG 3.49Å; F130-Y143 AromaticContact CD2-CZ 3.65Å; F130-Y143 HydrophobicContact CE1-CD2 4.11Å; F130-Y143 HydrophobicContact CE2-CD1 4.31Å; F130-Y143 AromaticContact CE2-CD2 3.56Å; F130-Y143 HydrophobicContact CE2-CD2 3.56Å; F130-Y143 HydrophobicContact CE2-CE1 4.11Å; F130-Y143 AromaticContact CE2-CE2 3.33Å; F130-Y143 HydrophobicContact CE2-CE2 3.33Å; F130-Y143 HydrophobicContact CE2-CG 4.05Å; F130-Y143 AromaticContact CE2-CZ 3.62Å; F130-Y143 AromaticContact CG-CD1 3.88Å; F130-Y143 HydrophobicContact CG-CD1 3.88Å; F130-Y143 AromaticContact CG-CD2 3.81Å; F130-Y143 HydrophobicContact CG-CD2 3.81Å; F130-Y143 HydrophobicContact CG-CE1 4.41Å; F130-Y143 HydrophobicContact CG-CE2 4.37Å; F130-Y143 AromaticContact CG-CG 3.54Å; F130-Y143 HydrophobicContact CG-CG 3.54Å; F130-Y143 AromaticContact CZ-CD2 3.86Å; F130-Y143 HydrophobicContact CZ-CD2 3.86Å; F130-Y143 AromaticContact CZ-CE2 3.87Å; F130-Y143 HydrophobicContact CZ-CE2 3.87Å; F130-L150 HydrophobicContact CD1-CD1 4.14Å; F130-L150 HydrophobicContact CE1-CB 4.45Å; F130-L150 HydrophobicContact CE1-CD1 4Å; F130-L150 HydrophobicContact CE1-CD2 4.19Å; F130-L150 HydrophobicContact CE1-CG 4.45Å; F130-I160 HydrophobicContact CD1-CG1 4.26Å; F130-I160 HydrophobicContact CE1-CD1 3.83Å; F130-I160 HydrophobicContact CE1-CG1 3.79Å; F130-I160 HydrophobicContact CE1-CG2 4.21Å; F130-I160 HydrophobicContact CZ-CD1 4.41Å; F130-I160 HydrophobicContact CZ-CG2 4.44Å; F130-F289 HydrophobicContact CE1-CE2 4.47Å; F130-F289 HydrophobicContact CE1-CZ 4.39Å; F130-F289 HydrophobicContact CE2-CD1 4.39Å; F130-F289 AromaticContact CZ-CD1 3.82Å; F130-F289 HydrophobicContact CZ-CD1 3.82Å; F130-F289 HydrophobicContact CZ-CD2 4.06Å; F130-F289 AromaticContact CZ-CE1 3.83Å; F130-F289 HydrophobicContact CZ-CE1 3.83Å; F130-F289 HydrophobicContact CZ-CE2 4.07Å; F130-F289 AromaticContact CZ-CG 3.94Å; F130-F289 HydrophobicContact CZ-CG 3.94Å; F130-F289 AromaticContact CZ-CZ 3.95Å; F130-F289 HydrophobicContact CZ-CZ 3.95Å
131Q91.2Very high93.6Very high120 Ų12066.1 Ų66.156%0.56136%0.364SS*.  trans-59145.3174.5-173.3-179.711.600110S133 W141Q131-S133 PolarHBondContact O-N 3.14Å; Q131-W141 HydrophobicContact CB-CH2 4.14Å; Q131-W141 VanDerWaalsContact O-CH2 3.26Å; Q131-W141 WeakPolarHBondContact O-CH2 3.49Å
132Q85.6Confident93.6Very high197 Ų19763.4 Ų63.492%0.92135%0.347SS*.  trans-64.8111.2-177.1-170.9165.4700110.8
133S86.3Confident93.7Very high20 Ų2064.7 Ų64.714%0.1435%0.348CS..  trans-104.3141.4-170.432.10000111.8Q131 W141 T142 Y143Q131-S133 PolarHBondContact O-N 3.14Å; S133-W141 VanDerWaalsContact OG-CZ3 3.31Å; S133-W141 WeakPolarHBondContact OG-CZ3 3.48Å; S133-T142 WeakPolarHBondContact OG-CA 3.38Å; S133-T142 PolarHBondContact OG-OG1 3.23Å; S133-Y143 PolarHBondContact OG-N 3.15Å
134S87.3Confident93.7Very high75 Ų7560.8 Ų60.852%0.52432%0.322SS..  trans-63.9150174.4-175.90000112A136 A139S134-A136 WeakPolarHBondContact OG-CB 3.42Å; S134-A136 PolarHBondContact OG-N 3.35Å; S134-A136 VanDerWaalsContact OG-N 3.16Å; S134-A139 VanDerWaalsContact O-CB 3.24Å; S134-A139 WeakPolarHBondContact O-CB 3.44Å
135T89.5Confident93.7Very high77 Ų7764 Ų6447%0.47235%0.345SS..  trans-100.811.2171.254.40000112.7G298T135-G298 WeakPolarHBondContact O-CA 3.38Å
136A91.2Very high93.6Very high40 Ų4062.8 Ų62.833%0.33134%0.342SS..SBendtrans-61.2159.2176.500000112.8S134 S138 A139S134-A136 WeakPolarHBondContact OG-CB 3.42Å; S134-A136 PolarHBondContact OG-N 3.35Å; S134-A136 VanDerWaalsContact OG-N 3.16Å; A136-S138 PolarHBondContact O-N 2.96Å; A136-S138 VanDerWaalsContact O-N 3.14Å; A136-A139 VanDerWaalsContact O-CB 3.26Å; A136-A139 WeakPolarHBondContact O-CB 3.39Å; A136-A139 PolarHBondContact O-N 3.23Å
137K87Confident93.4Very high194 Ų19464.6 Ų64.684%0.84335%0.351SS*.THydrogen-bonded Turntrans-58.5-27.2178.3-173-174.5173.1-166.60113.3
138S91.1Very high93.4Very high103 Ų10365.9 Ų65.972%0.7236%0.356SS*.THydrogen-bonded Turntrans-82.8-6.7177.546.50000114.5A136 T140A136-S138 PolarHBondContact O-N 2.96Å; A136-S138 VanDerWaalsContact O-N 3.14Å; S138-T140 PolarHBondContact O-N 3.32Å; S138-T140 VanDerWaalsContact O-N 3.17Å
139A94.1Very high93.4Very high13 Ų1365.8 Ų65.811%0.10735%0.353CS..  trans-67.6113.5-179.300000111S134 A136 W141 P297S134-A139 VanDerWaalsContact O-CB 3.24Å; S134-A139 WeakPolarHBondContact O-CB 3.44Å; A136-A139 VanDerWaalsContact O-CB 3.26Å; A136-A139 WeakPolarHBondContact O-CB 3.39Å; A136-A139 PolarHBondContact O-N 3.23Å; A139-W141 PolarHBondContact O-N 3.3Å; A139-P297 WeakPolarHBondContact O-CD 3.14Å; A139-P297 WeakPolarHBondContact O-CG 3.48Å
140T96.3Very high93.5Very high52 Ų5263.6 Ų63.632%0.31934%0.34SS..SBendtrans-69.4-23.4176.653.30000112.5S138 C152 Q153 K156S138-T140 PolarHBondContact O-N 3.32Å; S138-T140 VanDerWaalsContact O-N 3.17Å; T140-C152 CarbonylContact O-C 3.55Å; T140-C152 WeakPolarHBondContact O-CA 3.29Å; T140-Q153 PolarHBondContact O-N 3.07Å; T140-K156 HydrophobicContact CG2-CG 4.3Å
141W97.6Very high93.6Very high34 Ų3462.3 Ų62.313%0.12933%0.334CS..EExtended strand (participates in β ladder)trans-150.6156.8171.265.6-87.1000111.1Q131 S133 A139 L150 Y151 C152 P159Q131-W141 HydrophobicContact CB-CH2 4.14Å; Q131-W141 VanDerWaalsContact O-CH2 3.26Å; Q131-W141 WeakPolarHBondContact O-CH2 3.49Å; S133-W141 VanDerWaalsContact OG-CZ3 3.31Å; S133-W141 WeakPolarHBondContact OG-CZ3 3.48Å; A139-W141 PolarHBondContact O-N 3.3Å; W141-L150 HydrophobicContact CE3-CD1 4.24Å; W141-Y151 CarbonylContact C-O 3.57Å; W141-Y151 WeakPolarHBondContact CA-O 3.36Å; W141-C152 HydrophobicContact CB-CB 4.09Å; W141-P159 HydrophobicContact CH2-CG 4.22Å; W141-P159 HydrophobicContact CZ2-CG 3.54Å
142T97.7Very high93.9Very high0 Ų056.7 Ų56.70%031%0.308CS..EExtended strand (participates in β ladder)trans-155.3144.7167.3-174.30000111S133 Y151 P297 R301S133-T142 WeakPolarHBondContact OG-CA 3.38Å; S133-T142 PolarHBondContact OG-OG1 3.23Å; T142-Y151 PolarHBondContact N-O 3.46Å; T142-Y151 PolarHBondContact O-N 2.96Å; T142-P297 HydrophobicContact CG2-CB 3.94Å; T142-R301 HydrophobicContact CG2-CB 3.87Å; T142-R301 HydrophobicContact CG2-CG 4.29Å; T142-R301 PolarHBondContact OG1-NH1 3.37Å
143Y97.9Very high94.5Very high42 Ų4249.5 Ų49.517%0.16528%0.275CS..EExtended strand (participates in β ladder)trans-106.6136.2175.6-179.2-107.6000111.2F130 S133 P145 K148 K149 L150 F289 R301F130-Y143 HydrophobicContact CB-CD1 3.9Å; F130-Y143 HydrophobicContact CB-CG 3.82Å; F130-Y143 HydrophobicContact CD1-CD2 4.1Å; F130-Y143 HydrophobicContact CD1-CG 4.12Å; F130-Y143 AromaticContact CD2-CD1 3.56Å; F130-Y143 HydrophobicContact CD2-CD1 3.56Å; F130-Y143 AromaticContact CD2-CD2 3.53Å; F130-Y143 HydrophobicContact CD2-CD2 3.53Å; F130-Y143 AromaticContact CD2-CE1 3.62Å; F130-Y143 HydrophobicContact CD2-CE1 3.62Å; F130-Y143 AromaticContact CD2-CE2 3.62Å; F130-Y143 HydrophobicContact CD2-CE2 3.62Å; F130-Y143 AromaticContact CD2-CG 3.49Å; F130-Y143 HydrophobicContact CD2-CG 3.49Å; F130-Y143 VanDerWaalsContact CD2-CG 3.49Å; F130-Y143 AromaticContact CD2-CZ 3.65Å; F130-Y143 HydrophobicContact CE1-CD2 4.11Å; F130-Y143 HydrophobicContact CE2-CD1 4.31Å; F130-Y143 AromaticContact CE2-CD2 3.56Å; F130-Y143 HydrophobicContact CE2-CD2 3.56Å; F130-Y143 HydrophobicContact CE2-CE1 4.11Å; F130-Y143 AromaticContact CE2-CE2 3.33Å; F130-Y143 HydrophobicContact CE2-CE2 3.33Å; F130-Y143 HydrophobicContact CE2-CG 4.05Å; F130-Y143 AromaticContact CE2-CZ 3.62Å; F130-Y143 AromaticContact CG-CD1 3.88Å; F130-Y143 HydrophobicContact CG-CD1 3.88Å; F130-Y143 AromaticContact CG-CD2 3.81Å; F130-Y143 HydrophobicContact CG-CD2 3.81Å; F130-Y143 HydrophobicContact CG-CE1 4.41Å; F130-Y143 HydrophobicContact CG-CE2 4.37Å; F130-Y143 AromaticContact CG-CG 3.54Å; F130-Y143 HydrophobicContact CG-CG 3.54Å; F130-Y143 AromaticContact CZ-CD2 3.86Å; F130-Y143 HydrophobicContact CZ-CD2 3.86Å; F130-Y143 AromaticContact CZ-CE2 3.87Å; F130-Y143 HydrophobicContact CZ-CE2 3.87Å; S133-Y143 PolarHBondContact OG-N 3.15Å; Y143-P145 HydrophobicContact CD1-CG 4.17Å; Y143-P145 HydrophobicContact CE1-CB 4.37Å; Y143-P145 HydrophobicContact CE1-CG 4.22Å; Y143-P145 WeakPolarHBondContact O-CD 3.44Å; Y143-K148 WeakPolarHBondContact OH-CA 3.49Å; Y143-K149 WeakPolarHBondContact CD2-O 3.38Å; Y143-L150 HydrophobicContact CD2-CB 4.26Å; Y143-F289 HydrophobicContact CE2-CB 4.35Å; Y143-R301 PolarHBondContact O-NH1 3.46Å
144S97.2Very high95Very high0 Ų049.9 Ų49.90%028%0.275CS..EExtended strand (participates in β ladder)trans-101.9110.7170.4-177.50000110.3L146 L147 K148 K149 E305S144-L146 VanDerWaalsContact C-N 3.29Å; S144-L146 PolarHBondContact O-N 3.28Å; S144-L147 PolarHBondContact O-N 3.03Å; S144-L147 PolarHBondContact OG-N 3.13Å; S144-K148 WeakPolarHBondContact O-CA 3.4Å; S144-K148 PolarHBondContact O-N 3.02Å; S144-K148 VanDerWaalsContact O-N 3.09Å; S144-K149 PolarHBondContact N-O 3.13Å; S144-K149 PolarHBondContact O-N 3.13Å; S144-E305 VanDerWaalsContact CB-OE1 3.29Å; S144-E305 WeakPolarHBondContact CB-OE1 3.3Å; S144-E305 PolarHBondContact OG-OE1 3.45Å
145P94.9Very high95.3Very high90 Ų9047.4 Ų47.458%0.58426%0.258SS*.THydrogen-bonded Turntrans-62.4-37.9171-22.233.8000112.1Y143 L147 K148Y143-P145 HydrophobicContact CD1-CG 4.17Å; Y143-P145 HydrophobicContact CE1-CB 4.37Å; Y143-P145 HydrophobicContact CE1-CG 4.22Å; Y143-P145 WeakPolarHBondContact O-CD 3.44Å; P145-L147 VanDerWaalsContact C-N 3.26Å; P145-L147 PolarHBondContact O-N 3.47Å; P145-K148 PolarHBondContact O-N 2.93Å
146L94.8Very high95.6Very high83 Ų8348.7 Ų48.744%0.43526%0.258SS..THydrogen-bonded Turntrans-59.2-35.5-179-175.962.6000112.8S144 E305 Y308S144-L146 VanDerWaalsContact C-N 3.29Å; S144-L146 PolarHBondContact O-N 3.28Å; L146-E305 HydrophobicContact CD2-CG 4.28Å; L146-Y308 HydrophobicContact CD1-CD1 4.18Å; L146-Y308 HydrophobicContact CD1-CE1 3.8Å; L146-Y308 HydrophobicContact CD2-CD1 3.94Å; L146-Y308 HydrophobicContact CD2-CE1 4.42Å; L146-Y308 HydrophobicContact CG-CD1 3.85Å; L146-Y308 HydrophobicContact CG-CE1 3.92Å
147L95.7Very high95.7Very high37 Ų3749 Ų4919%0.19426%0.256CS..THydrogen-bonded Turntrans-105.70.4-177.5-59.4176000113.4S144 P145 K149 Y151 D304 E305 Y308S144-L147 PolarHBondContact O-N 3.03Å; S144-L147 PolarHBondContact OG-N 3.13Å; P145-L147 VanDerWaalsContact C-N 3.26Å; P145-L147 PolarHBondContact O-N 3.47Å; L147-K149 VanDerWaalsContact C-N 3.26Å; L147-K149 HydrophobicContact CB-CB 3.79Å; L147-K149 PolarHBondContact O-N 3.43Å; L147-Y151 VanDerWaalsContact CD1-OH 3.28Å; L147-Y151 WeakPolarHBondContact CD1-OH 3.33Å; L147-D304 HydrophobicContact CD1-CB 3.72Å; L147-E305 HydrophobicContact CD1-CG 3.75Å; L147-E305 HydrophobicContact CG-CG 4.18Å; L147-Y308 HydrophobicContact CD2-CD1 4Å; L147-Y308 HydrophobicContact CD2-CD2 3.88Å; L147-Y308 HydrophobicContact CD2-CG 3.59Å
148K96.3Very high96.2Very high113 Ų11339.8 Ų39.849%0.49122%0.215SC..THydrogen-bonded Turntrans43.450.1-165.6-68.3-171.4169.9-170.20112.5D119 Y143 S144 P145 F289 E290D119-K148 IonicContact OD2-NZ 2.77Å; D119-K148 PolarHBondContact OD2-NZ 3.1Å; Y143-K148 WeakPolarHBondContact OH-CA 3.49Å; S144-K148 WeakPolarHBondContact O-CA 3.4Å; S144-K148 PolarHBondContact O-N 3.02Å; S144-K148 VanDerWaalsContact O-N 3.09Å; P145-K148 PolarHBondContact O-N 2.93Å; K148-F289 WeakPolarHBondContact O-CA 3.22Å; K148-F289 WeakPolarHBondContact O-CB 3.45Å; K148-E290 PolarHBondContact O-N 2.83Å
149K97.9Very high96.5Very high18 Ų1836 Ų368%0.07819%0.189CC..EExtended strand (participates in β ladder)trans-137.7125.5-163.5-174164.7171.5174.30114Y143 S144 L147 Y151 E290 D304Y143-K149 WeakPolarHBondContact CD2-O 3.38Å; S144-K149 PolarHBondContact N-O 3.13Å; S144-K149 PolarHBondContact O-N 3.13Å; L147-K149 VanDerWaalsContact C-N 3.26Å; L147-K149 HydrophobicContact CB-CB 3.79Å; L147-K149 PolarHBondContact O-N 3.43Å; K149-Y151 HydrophobicContact CB-CE2 3.93Å; K149-Y151 HydrophobicContact CD-CE1 4.37Å; K149-Y151 HydrophobicContact CD-CE2 4Å; K149-Y151 VanDerWaalsContact CD-OH 3.25Å; K149-Y151 WeakPolarHBondContact CD-OH 3.48Å; K149-Y151 WeakPolarHBondContact CE-OH 3.27Å; K149-Y151 HydrophobicContact CG-CD2 4.24Å; K149-Y151 HydrophobicContact CG-CE2 3.58Å; K149-E290 CarbonylContact C-O 3.6Å; K149-E290 WeakPolarHBondContact CA-O 3.03Å; K149-E290 HydrophobicContact CB-CB 4.13Å; K149-E290 HydrophobicContact CD-CB 4.09Å; K149-E290 HydrophobicContact CD-CG 3.94Å; K149-E290 WeakPolarHBondContact CD-OE1 3.35Å; K149-E290 WeakPolarHBondContact CE-OE1 3.43Å; K149-E290 HydrophobicContact CG-CB 3.87Å; K149-E290 HydrophobicContact CG-CG 4.1Å; K149-E290 IonicContact NZ-OE1 3.68Å; K149-E290 PolarHBondContact NZ-OE1 2.94Å; K149-D304 WeakPolarHBondContact CE-OD2 3.33Å; K149-D304 IonicContact NZ-OD2 2.77Å; K149-D304 PolarHBondContact NZ-OD2 3Å
150L98.4Very high96.6Very high1 Ų135.5 Ų35.51%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-89.9131.3173.1-178.265.7000110.5F130 W141 Y143 I160 F255 F289 E290 R292F130-L150 HydrophobicContact CD1-CD1 4.14Å; F130-L150 HydrophobicContact CE1-CB 4.45Å; F130-L150 HydrophobicContact CE1-CD1 4Å; F130-L150 HydrophobicContact CE1-CD2 4.19Å; F130-L150 HydrophobicContact CE1-CG 4.45Å; W141-L150 HydrophobicContact CE3-CD1 4.24Å; Y143-L150 HydrophobicContact CD2-CB 4.26Å; L150-I160 HydrophobicContact CD2-CD1 4.32Å; L150-F255 HydrophobicContact CD2-CE2 3.85Å; L150-F255 HydrophobicContact CD2-CZ 4.1Å; L150-F289 HydrophobicContact CB-CD2 3.82Å; L150-F289 HydrophobicContact CB-CE2 3.82Å; L150-F289 HydrophobicContact CD2-CE2 3.8Å; L150-F289 HydrophobicContact CD2-CZ 4.45Å; L150-F289 HydrophobicContact CG-CE2 4.47Å; L150-E290 PolarHBondContact N-O 2.91Å; L150-R292 PolarHBondContact O-N 3.24Å
151Y98.4Very high96.7Very high0 Ų034.2 Ų34.20%017%0.174CC..EExtended strand (participates in β ladder)trans-114.9129.3171.3-58.4-105.7000107.7W141 T142 L147 K149 R292 D300 R301 D304W141-Y151 CarbonylContact C-O 3.57Å; W141-Y151 WeakPolarHBondContact CA-O 3.36Å; T142-Y151 PolarHBondContact N-O 3.46Å; T142-Y151 PolarHBondContact O-N 2.96Å; L147-Y151 VanDerWaalsContact CD1-OH 3.28Å; L147-Y151 WeakPolarHBondContact CD1-OH 3.33Å; K149-Y151 HydrophobicContact CB-CE2 3.93Å; K149-Y151 HydrophobicContact CD-CE1 4.37Å; K149-Y151 HydrophobicContact CD-CE2 4Å; K149-Y151 VanDerWaalsContact CD-OH 3.25Å; K149-Y151 WeakPolarHBondContact CD-OH 3.48Å; K149-Y151 WeakPolarHBondContact CE-OH 3.27Å; K149-Y151 HydrophobicContact CG-CD2 4.24Å; K149-Y151 HydrophobicContact CG-CE2 3.58Å; Y151-R292 WeakPolarHBondContact CA-O 3.25Å; Y151-R292 HydrophobicContact CD1-CB 4.05Å; Y151-R292 HydrophobicContact CD1-CG 4.13Å; Y151-R292 HydrophobicContact CE1-CB 4.36Å; Y151-R292 HydrophobicContact CE1-CG 4.41Å; Y151-D300 HydrophobicContact CD1-CB 3.95Å; Y151-D300 HydrophobicContact CE1-CB 4.21Å; Y151-R301 HydrophobicContact CD1-CB 4.15Å; Y151-R301 HydrophobicContact CD2-CB 3.71Å; Y151-R301 HydrophobicContact CD2-CG 4.05Å; Y151-R301 HydrophobicContact CE1-CB 4.18Å; Y151-R301 HydrophobicContact CE2-CB 3.78Å; Y151-R301 HydrophobicContact CE2-CG 3.86Å; Y151-R301 HydrophobicContact CG-CB 3.94Å; Y151-D304 HydrophobicContact CE1-CB 4.47Å; Y151-D304 WeakPolarHBondContact CE1-OD2 3.43Å; Y151-D304 WeakPolarHBondContact OH-CB 2.92Å; Y151-D304 PolarHBondContact OH-OD2 2.67Å
152C97.9Very high96.7Very high1 Ų132.7 Ų32.71%0.00717%0.168CC..EExtended strand (participates in β ladder)trans-148155.6-176.154.80000112.3T140 W141 C158 R292 I293 C294T140-C152 CarbonylContact O-C 3.55Å; T140-C152 WeakPolarHBondContact O-CA 3.29Å; W141-C152 HydrophobicContact CB-CB 4.09Å; C152-C158 WeakPolarHBondContact CB-SG 3.41Å; C152-R292 PolarHBondContact N-O 2.94Å; C152-I293 CarbonylContact O-C 3.44Å; C152-I293 VanDerWaalsContact O-CA 3.23Å; C152-I293 WeakPolarHBondContact O-CA 3.36Å; C152-C294 PolarHBondContact O-N 2.85Å; C152-C294 VanDerWaalsContact O-O 3.05Å
153Q97.6Very high96.7Very high47 Ų4735 Ų3522%0.2218%0.179CC..  trans-81.5150.2170.1-72.7-178.9-2300111T140 A155 K156 C294 A295 P297T140-Q153 PolarHBondContact O-N 3.07Å; Q153-A155 PolarHBondContact O-N 3.43Å; Q153-K156 HydrophobicContact CB-CB 4.11Å; Q153-K156 HydrophobicContact CB-CG 3.74Å; Q153-K156 PolarHBondContact O-N 3Å; Q153-C294 WeakPolarHBondContact CA-O 3.42Å; Q153-A295 PolarHBondContact NE2-O 2.84Å; Q153-P297 HydrophobicContact CG-CG 3.94Å
154I95.8Very high96.6Very high28 Ų2833.9 Ų33.914%0.14418%0.176CC..THydrogen-bonded Turntrans-55.9135.9174.7-173.2173.5000111.3K156 H196 F202 F255 I293I154-K156 PolarHBondContact O-N 3.21Å; I154-H196 WeakPolarHBondContact CD1-NE2 3.49Å; I154-F202 HydrophobicContact CD1-CD2 4.48Å; I154-F202 HydrophobicContact CD1-CE2 4.15Å; I154-F255 WeakPolarHBondContact CA-O 3.4Å; I154-I293 HydrophobicContact CB-CG2 4.08Å
155A94.3Very high96.5Very high22 Ų2237.9 Ų37.918%0.18220%0.204CC..THydrogen-bonded Turntrans56.58.1179.600000116.3Q153 F202 N254 F255 M256Q153-A155 PolarHBondContact O-N 3.43Å; A155-F202 HydrophobicContact CB-CD1 3.45Å; A155-F202 VanDerWaalsContact CB-CD1 3.45Å; A155-F202 HydrophobicContact CB-CE1 3.74Å; A155-F202 HydrophobicContact CB-CG 4.24Å; A155-N254 PolarHBondContact O-ND2 2.76Å; A155-F255 PolarHBondContact N-O 3.17Å; A155-M256 HydrophobicContact CB-CE 3.8Å; A155-M256 HydrophobicContact CB-SD 4.11Å
156K94.9Very high96.5Very high105 Ų10536.8 Ų36.846%0.45720%0.196SC..  trans-89.4139.5175.7-64.6-52.6-174.8-174.50112T140 Q153 I154 C158T140-K156 HydrophobicContact CG2-CG 4.3Å; Q153-K156 HydrophobicContact CB-CB 4.11Å; Q153-K156 HydrophobicContact CB-CG 3.74Å; Q153-K156 PolarHBondContact O-N 3Å; I154-K156 PolarHBondContact O-N 3.21Å; K156-C158 PolarHBondContact O-N 2.65Å; K156-C158 PolarHBondContact O-SG 2.65Å; K156-C158 VanDerWaalsContact O-SG 3.32Å
157T95.1Very high96.5Very high47 Ų4738.2 Ų38.229%0.28821%0.21SC..EExtended strand (participates in β ladder)trans-61.5125.2-179.7-320000111E217 L252 N254T157-E217 WeakPolarHBondContact CB-OE2 3.33Å; T157-E217 HydrophobicContact CG2-CB 4.49Å; T157-E217 WeakPolarHBondContact CG2-OE2 3.48Å; T157-E217 PolarHBondContact OG1-OE2 2.96Å; T157-L252 HydrophobicContact CG2-CB 3.73Å; T157-L252 HydrophobicContact CG2-CD1 4.22Å; T157-L252 HydrophobicContact CG2-CD2 4.09Å; T157-L252 HydrophobicContact CG2-CG 4.22Å; T157-N254 PolarHBondContact N-ND2 2.8Å
158C96.4Very high96.5Very high0 Ų037.1 Ų37.10%021%0.205CC..EExtended strand (participates in β ladder)trans-119.9102.6178.5-60.60000108.1C152 K156 I160 Y253 F255C152-C158 WeakPolarHBondContact CB-SG 3.41Å; K156-C158 PolarHBondContact O-N 2.65Å; K156-C158 PolarHBondContact O-SG 2.65Å; K156-C158 VanDerWaalsContact O-SG 3.32Å; C158-I160 PolarHBondContact O-N 3.35Å; C158-Y253 WeakPolarHBondContact CA-O 3.21Å; C158-Y253 VanDerWaalsContact CB-O 3.3Å; C158-Y253 WeakPolarHBondContact CB-O 3.35Å; C158-Y253 PolarHBondContact N-O 2.65Å; C158-Y253 PolarHBondContact O-N 3.37Å; C158-F255 HydrophobicContact CB-CE2 4.36Å
159P96.6Very high96.4Very high24 Ų2434.8 Ų34.816%0.15620%0.202CC..EExtended strand (participates in β ladder)trans-69.9120.3175.728.6-32.7000109.8W141 T250 L252W141-P159 HydrophobicContact CH2-CG 4.22Å; W141-P159 HydrophobicContact CZ2-CG 3.54Å; P159-T250 HydrophobicContact CB-CG2 3.61Å; P159-L252 HydrophobicContact CB-CD2 3.93Å
160I97.9Very high96.3Very high2 Ų240.6 Ų40.61%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-114.9127.6173.8-57.4-171.8000107.7V128 F130 L150 C158 T250 I251 Y253 I274 F289V128-I160 HydrophobicContact CG1-CG2 3.47Å; V128-I160 VanDerWaalsContact CG1-CG2 3.47Å; F130-I160 HydrophobicContact CD1-CG1 4.26Å; F130-I160 HydrophobicContact CE1-CD1 3.83Å; F130-I160 HydrophobicContact CE1-CG1 3.79Å; F130-I160 HydrophobicContact CE1-CG2 4.21Å; F130-I160 HydrophobicContact CZ-CD1 4.41Å; F130-I160 HydrophobicContact CZ-CG2 4.44Å; L150-I160 HydrophobicContact CD2-CD1 4.32Å; C158-I160 PolarHBondContact O-N 3.35Å; I160-T250 WeakPolarHBondContact O-CA 3.44Å; I160-I251 PolarHBondContact N-O 3.42Å; I160-I251 PolarHBondContact O-N 2.99Å; I160-Y253 HydrophobicContact CB-CD2 3.86Å; I160-Y253 HydrophobicContact CB-CE2 4.05Å; I160-Y253 HydrophobicContact CD1-CD2 3.64Å; I160-Y253 HydrophobicContact CD1-CE2 4.2Å; I160-Y253 HydrophobicContact CD1-CG 4.38Å; I160-Y253 HydrophobicContact CG1-CD2 3.81Å; I160-Y253 HydrophobicContact CG1-CE2 4.43Å; I160-I274 HydrophobicContact CG2-CD1 4.21Å; I160-F289 HydrophobicContact CD1-CE1 4.34Å; I160-F289 HydrophobicContact CD1-CZ 3.69Å
161Q97.4Very high96.1Very high24 Ų2443.3 Ų43.311%0.11227%0.269CS..EExtended strand (participates in β ladder)trans-93.2132.2-177.2-65.2169-33.900109.5V128 T129 F248V128-Q161 WeakPolarHBondContact CA-O 3.35Å; T129-Q161 PolarHBondContact N-O 3.12Å; T129-Q161 WeakPolarHBondContact O-CB 3.32Å; T129-Q161 PolarHBondContact O-N 2.87Å; T129-Q161 VanDerWaalsContact OG1-CB 3.22Å; T129-Q161 WeakPolarHBondContact OG1-CB 3.13Å; T129-Q161 PolarHBondContact OG1-OE1 3.32Å; Q161-F248 HydrophobicContact CB-CB 4.23Å; Q161-F248 HydrophobicContact CB-CD2 4.01Å; Q161-F248 HydrophobicContact CB-CG 4.15Å; Q161-F248 HydrophobicContact CG-CD2 3.67Å; Q161-F248 HydrophobicContact CG-CE2 3.93Å; Q161-F248 HydrophobicContact CG-CG 4.19Å; Q161-F248 VanDerWaalsContact NE2-CE2 3.26Å
162I97.8Very high96Very high2 Ų243.6 Ų43.61%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-107.7121.6176.8-54.9-56.7000107.9F126 V128 I174 F248 T249 I251 I274F126-I162 HydrophobicContact CD2-CG2 4.32Å; F126-I162 HydrophobicContact CE2-CG2 3.59Å; F126-I162 HydrophobicContact CZ-CD1 4.47Å; F126-I162 HydrophobicContact CZ-CG2 4.41Å; V128-I162 HydrophobicContact CG2-CD1 4.08Å; I162-I174 HydrophobicContact CD1-CG2 4.37Å; I162-I174 HydrophobicContact CG2-CD1 3.86Å; I162-I174 HydrophobicContact CG2-CG1 4.49Å; I162-F248 VanDerWaalsContact O-CA 3.24Å; I162-F248 WeakPolarHBondContact O-CA 3.48Å; I162-F248 WeakPolarHBondContact O-CB 3.41Å; I162-T249 PolarHBondContact N-O 3.3Å; I162-T249 PolarHBondContact O-N 3.29Å; I162-I251 HydrophobicContact CG1-CD1 3.92Å; I162-I251 HydrophobicContact CG1-CG1 4.22Å; I162-I274 HydrophobicContact CD1-CG2 4.38Å
163K96.9Very high96Very high49 Ų4944.2 Ų44.221%0.21328%0.276CS..EExtended strand (participates in β ladder)trans-121.1142.4177.6-175.6165.5-174.1175.70110.6E127 E247 F248E127-K163 HydrophobicContact CB-CB 4.31Å; E127-K163 PolarHBondContact N-O 3.27Å; E127-K163 PolarHBondContact O-N 3.03Å; K163-E247 HydrophobicContact CD-CB 4.4Å; K163-E247 IonicContact NZ-OE1 2.65Å; K163-E247 PolarHBondContact NZ-OE1 2.97Å; K163-E247 IonicContact NZ-OE2 2.65Å; K163-E247 PolarHBondContact NZ-OE2 3.12Å; K163-F248 HydrophobicContact CB-CB 4.44Å
164V96.9Very high96Very high18 Ų1842 Ų4211%0.10927%0.266CS..  trans-139.1146.2171.9-69.50000108.4H124 F126 Y239 L276H124-V164 HydrophobicContact CB-CB 4.31Å; H124-V164 HydrophobicContact CB-CG1 4.19Å; H124-V164 CarbonylContact O-C 3.56Å; H124-V164 WeakPolarHBondContact O-CA 3.38Å; F126-V164 HydrophobicContact CD2-CG1 4.04Å; V164-Y239 HydrophobicContact CG2-CE2 4.27Å; V164-Y239 WeakPolarHBondContact CG2-OH 3.27Å; V164-L276 HydrophobicContact CG1-CD2 4.14Å
165S95.2Very high96.1Very high85 Ų8543.4 Ų43.459%0.59427%0.269SS*.SBendtrans-85.6-19.9177.5-590000113.4H124 H125H124-S165 PolarHBondContact O-N 3.04Å; H125-S165 WeakPolarHBondContact CB-OG 3.35Å
166T94.7Very high96.3Very high66 Ų6642.3 Ų42.341%0.40526%0.261SS..SBendtrans-137.7141.9176.156.40000109.9H124H124-T166 PolarHBondContact ND1-O 3.21Å; H124-T166 VanDerWaalsContact ND1-O 3.14Å; H124-T166 PolarHBondContact ND1-OG1 3.44Å
167P93.9Very high96.4Very high114 Ų11438.8 Ų38.874%0.7425%0.246SC*.PPolyproline II helixtrans-58.4130.4177.2-25.535.1000111.9H124H124-P167 PolarHBondContact CE1-O 2.75Å
168P95.7Very high96.6Very high14 Ų1437 Ų379%0.09124%0.235CC..PPolyproline II helixtrans-76.4166.3174.333.7-36.7000111.9T172 Y239 L276 L284P168-T172 HydrophobicContact CB-CG2 3.93Å; P168-T172 HydrophobicContact CG-CG2 4.05Å; P168-Y239 VanDerWaalsContact CD-CE1 3.46Å; P168-Y239 HydrophobicContact CG-CD1 3.49Å; P168-Y239 VanDerWaalsContact CG-CD1 3.49Å; P168-Y239 HydrophobicContact CG-CD2 4.47Å; P168-Y239 HydrophobicContact CG-CE1 3.5Å; P168-Y239 VanDerWaalsContact CG-CE1 3.5Å; P168-Y239 HydrophobicContact CG-CE2 4.46Å; P168-Y239 HydrophobicContact CG-CG 4.01Å; P168-L276 HydrophobicContact CB-CD2 4.33Å; P168-L276 HydrophobicContact CG-CD1 4.4Å; P168-L284 HydrophobicContact CB-CD1 4.33Å
169P95.4Very high96.6Very high64 Ų6437.1 Ų37.142%0.41624%0.236SC..PPolyproline II helixtrans-56.4148178-25.935.4000113.4T172 L284P169-T172 VanDerWaalsContact O-CB 3.3Å; P169-T172 WeakPolarHBondContact O-CB 3.34Å; P169-T172 PolarHBondContact O-N 3.46Å; P169-T172 PolarHBondContact O-OG1 3.35Å; P169-L284 HydrophobicContact CG-CD1 4.45Å
170P94.8Very high96.6Very high139 Ų13936.5 Ų36.590%0.90323%0.231SC*.THydrogen-bonded Turntrans-54.7139.7174.4-25.835000112.5T172P170-T172 VanDerWaalsContact C-N 3.32Å
171G93.4Very high96.5Very high58 Ų5841.3 Ų41.360%0.59825%0.251SS*.THydrogen-bonded Turntrans79.69.3-176.200000115
172T97.3Very high96.3Very high6 Ų644.8 Ų44.84%0.03727%0.266CS..  trans-63.7148.7164.5-63.10000110.7P168 P169 P170 Y239 L276 E277 L284P168-T172 HydrophobicContact CB-CG2 3.93Å; P168-T172 HydrophobicContact CG-CG2 4.05Å; P169-T172 VanDerWaalsContact O-CB 3.3Å; P169-T172 WeakPolarHBondContact O-CB 3.34Å; P169-T172 PolarHBondContact O-N 3.46Å; P169-T172 PolarHBondContact O-OG1 3.35Å; P170-T172 VanDerWaalsContact C-N 3.32Å; T172-Y239 WeakPolarHBondContact O-CB 3.46Å; T172-Y239 PolarHBondContact O-N 3.04Å; T172-L276 HydrophobicContact CG2-CD1 3.39Å; T172-L276 HydrophobicContact CG2-CG 3.72Å; T172-E277 CarbonylContact C-O 3.57Å; T172-E277 WeakPolarHBondContact CA-O 3.34Å; T172-E277 WeakPolarHBondContact CG2-O 3.47Å; T172-L284 HydrophobicContact CG2-CD1 4.14Å
173A97.6Very high95.9Very high14 Ų1448.8 Ų48.812%0.11630%0.3CS..EExtended strand (participates in β ladder)trans-130.7163.5178.400000112.4V236 V237 L276 E277A173-V236 HydrophobicContact CB-CG1 3.65Å; A173-V237 CarbonylContact C-O 3.59Å; A173-V237 WeakPolarHBondContact CA-O 3.28Å; A173-L276 WeakPolarHBondContact O-CA 3.39Å; A173-E277 PolarHBondContact N-O 3.11Å; A173-E277 PolarHBondContact O-N 2.89Å
174I98.3Very high95.8Very high2 Ų252.2 Ų52.21%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-109.1117.3170.6-57.1-63.8000108.6F126 I162 V236 V237 Y239 I251 I274 T275 L276F126-I174 HydrophobicContact CE2-CD1 3.72Å; F126-I174 HydrophobicContact CZ-CD1 4.24Å; I162-I174 HydrophobicContact CD1-CG2 4.37Å; I162-I174 HydrophobicContact CG2-CD1 3.86Å; I162-I174 HydrophobicContact CG2-CG1 4.49Å; I174-V236 CarbonylContact O-C 3.53Å; I174-V236 WeakPolarHBondContact O-CA 3.25Å; I174-V237 PolarHBondContact N-O 3.28Å; I174-V237 PolarHBondContact O-N 2.86Å; I174-Y239 HydrophobicContact CD1-CD2 4.22Å; I174-Y239 HydrophobicContact CG1-CD2 4.36Å; I174-I251 HydrophobicContact CB-CD1 3.92Å; I174-I251 HydrophobicContact CG1-CD1 4.11Å; I174-I251 HydrophobicContact CG2-CD1 3.74Å; I174-I274 HydrophobicContact CG2-CG2 3.59Å; I174-T275 CarbonylContact C-O 3.55Å; I174-T275 WeakPolarHBondContact CA-O 3.39Å; I174-L276 HydrophobicContact CD1-CB 4.36Å; I174-L276 HydrophobicContact CD1-CD1 3.48Å; I174-L276 VanDerWaalsContact CD1-CD1 3.48Å
175R97.8Very high95.6Very high56 Ų5652.9 Ų52.921%0.21132%0.318CS..EExtended strand (participates in β ladder)trans-106135.4173.1-179.4-173.3-55.8-94.9-1.9110.5S234 V235 V236 I274 T275 E277R175-S234 PolarHBondContact NH1-OG 3.05Å; R175-V235 CarbonylContact C-O 3.56Å; R175-V235 VanDerWaalsContact CA-O 3.32Å; R175-V235 WeakPolarHBondContact CA-O 3.39Å; R175-V236 HydrophobicContact CB-CG2 4.13Å; R175-V236 HydrophobicContact CG-CG2 3.97Å; R175-V236 VanDerWaalsContact CZ-CG2 3.44Å; R175-I274 CarbonylContact O-C 3.55Å; R175-I274 VanDerWaalsContact O-CA 3.25Å; R175-I274 WeakPolarHBondContact O-CA 3.33Å; R175-T275 PolarHBondContact N-O 2.79Å; R175-T275 PolarHBondContact O-N 2.96Å; R175-E277 VanDerWaalsContact CB-OE2 3.28Å; R175-E277 WeakPolarHBondContact CB-OE2 3.32Å; R175-E277 IonicContact CZ-OE1 3.33Å; R175-E277 IonicContact NE-OE1 2.7Å; R175-E277 PolarHBondContact NE-OE1 3.25Å; R175-E277 IonicContact NE-OE2 2.74Å; R175-E277 PolarHBondContact NE-OE2 3.06Å; R175-E277 IonicContact NH2-OE1 3Å; R175-E277 PolarHBondContact NH2-OE1 3.33Å
176A98.3Very high95.3Very high0 Ų050.1 Ų50.10%030%0.298CS..EExtended strand (participates in β ladder)trans-113128.2167.600000110.6I214 S234 V235 Y253 I273 I274A176-I214 HydrophobicContact CB-CD1 4.49Å; A176-S234 WeakPolarHBondContact O-CA 3.34Å; A176-S234 WeakPolarHBondContact O-CB 3.49Å; A176-V235 HydrophobicContact CB-CG1 4.1Å; A176-V235 PolarHBondContact N-O 3.27Å; A176-V235 PolarHBondContact O-N 2.95Å; A176-Y253 HydrophobicContact CB-CE1 3.65Å; A176-I273 WeakPolarHBondContact CA-O 3.38Å; A176-I274 HydrophobicContact CB-CG1 4.33Å
177M97.6Very high95.1Very high30 Ų3051.1 Ų51.115%0.14830%0.304CS..EExtended strand (participates in β ladder)trans-135.3125.3-178.5177.5171.849.700111.1P115 V179 R232 I273P115-M177 HydrophobicContact CB-CE 3.57Å; P115-M177 HydrophobicContact CG-CE 3.67Å; P115-M177 HydrophobicContact CG-SD 4.36Å; M177-V179 HydrophobicContact CG-CG1 4.37Å; M177-R232 HydrophobicContact SD-CB 4.03Å; M177-I273 PolarHBondContact N-O 2.94Å; M177-I273 PolarHBondContact O-N 3.41Å
178P97.6Very high95.1Very high9 Ų948.4 Ų48.46%0.05828%0.284CS..EExtended strand (participates in β ladder)trans-84.5137.6172.732.9-29.8000112V190 L213 I214 Q233 I270 L271P178-V190 HydrophobicContact CB-CB 4Å; P178-V190 HydrophobicContact CB-CG1 3.98Å; P178-V190 HydrophobicContact CB-CG2 4.31Å; P178-V190 HydrophobicContact CG-CB 4.05Å; P178-V190 HydrophobicContact CG-CG1 4.22Å; P178-L213 HydrophobicContact CB-CD2 4.24Å; P178-L213 HydrophobicContact CG-CD2 4.43Å; P178-I214 HydrophobicContact CB-CD1 4.08Å; P178-I214 HydrophobicContact CB-CG1 4.49Å; P178-I214 HydrophobicContact CG-CD1 4.08Å; P178-I214 HydrophobicContact CG-CG1 4.21Å; P178-Q233 WeakPolarHBondContact CD-O 3.42Å; P178-I270 HydrophobicContact CB-CD1 4.32Å; P178-L271 WeakPolarHBondContact CA-O 3.47Å
179V96.9Very high95Very high3 Ų350.4 Ų50.42%0.01829%0.293CS..EExtended strand (participates in β ladder)trans-136.3152.3171.6-59.30000110.3P115 M177 I270 L271 I273P115-V179 HydrophobicContact CG-CG1 3.79Å; M177-V179 HydrophobicContact CG-CG1 4.37Å; V179-I270 CarbonylContact O-C 3.57Å; V179-I270 WeakPolarHBondContact O-CA 3.21Å; V179-I270 WeakPolarHBondContact O-CB 3.49Å; V179-L271 HydrophobicContact CG2-CB 4.01Å; V179-L271 PolarHBondContact N-O 3.4Å; V179-L271 PolarHBondContact O-N 2.61Å; V179-I273 HydrophobicContact CG1-CD1 4.3Å; V179-I273 HydrophobicContact CG2-CD1 3.9Å; V179-I273 HydrophobicContact CG2-CG1 4.26Å
180Y97.3Very high95Very high11 Ų1147.5 Ų47.54%0.04327%0.274CS..EExtended strand (participates in β ladder)trans-70.1136.5173.5-66.4-70.3000111.2K182 H185 D188 V190 M265 R268 I270Y180-K182 PolarHBondContact O-N 2.84Å; Y180-H185 HydrophobicContact CD2-CB 4.06Å; Y180-H185 VanDerWaalsContact CD2-O 3.32Å; Y180-H185 WeakPolarHBondContact CD2-O 3.43Å; Y180-H185 HydrophobicContact CG-CB 3.96Å; Y180-D188 HydrophobicContact CD2-CB 3.8Å; Y180-D188 WeakPolarHBondContact CD2-O 3.4Å; Y180-D188 HydrophobicContact CE2-CB 3.73Å; Y180-V190 HydrophobicContact CD1-CG2 4.13Å; Y180-V190 HydrophobicContact CD2-CG2 3.7Å; Y180-V190 HydrophobicContact CE1-CG2 4.06Å; Y180-V190 HydrophobicContact CE2-CB 4.36Å; Y180-V190 HydrophobicContact CE2-CG2 3.65Å; Y180-V190 HydrophobicContact CG-CG2 3.97Å; Y180-M265 HydrophobicContact CE1-CB 4.42Å; Y180-M265 HydrophobicContact CE1-CG 4.28Å; Y180-R268 HydrophobicContact CD1-CB 3.55Å; Y180-R268 HydrophobicContact CD1-CG 4.48Å; Y180-R268 HydrophobicContact CE1-CB 3.68Å; Y180-R268 HydrophobicContact CE1-CG 4.41Å; Y180-I270 HydrophobicContact CD1-CG2 3.77Å; Y180-I270 HydrophobicContact CE1-CG2 4Å
181K95.4Very high94.8Very high103 Ų10345.1 Ų45.145%0.44825%0.249SC..SBendtrans-70.5-29-176.3-179172.9173.7172.30113.1P269 L271 E290K181-P269 HydrophobicContact CB-CB 4.27Å; K181-P269 HydrophobicContact CB-CG 4.22Å; K181-P269 WeakPolarHBondContact CB-O 3.31Å; K181-P269 PolarHBondContact N-O 3.36Å; K181-L271 HydrophobicContact CB-CD2 4.32Å; K181-L271 HydrophobicContact CB-CG 3.93Å; K181-L271 HydrophobicContact CD-CD2 3.94Å; K181-L271 HydrophobicContact CD-CG 4.45Å; K181-L271 HydrophobicContact CG-CD1 4.34Å; K181-L271 HydrophobicContact CG-CD2 4.02Å; K181-L271 HydrophobicContact CG-CG 4Å; K181-E290 HydrophobicContact CD-CG 4.31Å; K181-E290 WeakPolarHBondContact CD-OE2 3.44Å; K181-E290 WeakPolarHBondContact CE-OE2 3.43Å; K181-E290 IonicContact NZ-OE2 2.68Å; K181-E290 PolarHBondContact NZ-OE2 2.96Å
182K93.4Very high94.9Very high97 Ų9742.5 Ų42.542%0.42222%0.221SC..SBendtrans-84.4138.9179.5-64.5-167.8177.2-169.40111.6Y180 E184 H185 V186Y180-K182 PolarHBondContact O-N 2.84Å; K182-E184 VanDerWaalsContact C-N 3.3Å; K182-E184 HydrophobicContact CB-CG 3.85Å; K182-E184 HydrophobicContact CD-CG 3.77Å; K182-E184 WeakPolarHBondContact CD-OE1 3.41Å; K182-E184 WeakPolarHBondContact CE-OE1 3.43Å; K182-E184 VanDerWaalsContact NZ-CD 3.33Å; K182-E184 IonicContact NZ-OE1 3.79Å; K182-E184 PolarHBondContact NZ-OE1 2.97Å; K182-E184 IonicContact NZ-OE2 3.94Å; K182-E184 PolarHBondContact NZ-OE2 3.12Å; K182-E184 PolarHBondContact O-N 3.31Å; K182-H185 PolarHBondContact O-N 2.85Å; K182-H185 VanDerWaalsContact O-N 3.1Å; K182-V186 PolarHBondContact O-N 2.91Å; K182-V186 VanDerWaalsContact O-N 3.14Å
183A90.3Very high94.8Very high87 Ų8742.4 Ų42.472%0.71922%0.221SC*.G310 helixtrans-56.2-39.8175.500000113.4H185 V186A183-H185 PolarHBondContact O-N 2.89Å; A183-V186 WeakPolarHBondContact O-CG1 3.44Å; A183-V186 PolarHBondContact O-N 3.26Å
184E93.4Very high94.6Very high121 Ų12144.7 Ų44.757%0.56523%0.234SC*.G310 helixtrans-59-11.8177.669.5-169.8-144.400114.8K182K182-E184 VanDerWaalsContact C-N 3.3Å; K182-E184 HydrophobicContact CB-CG 3.85Å; K182-E184 HydrophobicContact CD-CG 3.77Å; K182-E184 WeakPolarHBondContact CD-OE1 3.41Å; K182-E184 WeakPolarHBondContact CE-OE1 3.43Å; K182-E184 VanDerWaalsContact NZ-CD 3.33Å; K182-E184 IonicContact NZ-OE1 3.79Å; K182-E184 PolarHBondContact NZ-OE1 2.97Å; K182-E184 IonicContact NZ-OE2 3.94Å; K182-E184 PolarHBondContact NZ-OE2 3.12Å; K182-E184 PolarHBondContact O-N 3.31Å
185H92.6Very high94.3Very high31 Ų3151 Ų5114%0.14427%0.268CS..G310 helixtrans-132.76.6179.3-58.2-28.1000112.9Y180 K182 A183 T187 D188 R268Y180-H185 HydrophobicContact CD2-CB 4.06Å; Y180-H185 VanDerWaalsContact CD2-O 3.32Å; Y180-H185 WeakPolarHBondContact CD2-O 3.43Å; Y180-H185 HydrophobicContact CG-CB 3.96Å; K182-H185 PolarHBondContact O-N 2.85Å; K182-H185 VanDerWaalsContact O-N 3.1Å; A183-H185 PolarHBondContact O-N 2.89Å; H185-T187 PolarHBondContact O-N 3.05Å; H185-D188 IonicContact CG-OD2 3.32Å; H185-D188 IonicContact ND1-OD2 3.56Å; H185-D188 WeakPolarHBondContact O-CB 3.49Å; H185-D188 PolarHBondContact O-N 3.46Å; H185-R268 WeakPolarHBondContact CD2-CD 3.47Å; H185-R268 VanDerWaalsContact CD2-CZ 3.45Å; H185-R268 PolarHBondContact CD2-NE 3.16Å; H185-R268 VanDerWaalsContact CE1-CZ 3.42Å; H185-R268 PolarHBondContact CE1-NH2 2.89Å; H185-R268 PolarHBondContact ND1-NH2 3.15Å; H185-R268 PolarHBondContact NE2-NE 3.4Å; H185-R268 VanDerWaalsContact NE2-NE 3.12Å; H185-R268 PolarHBondContact NE2-NH2 2.68Å
186V90.1Very high94Very high27 Ų2750.1 Ų50.116%0.16427%0.266CS..THydrogen-bonded Turntrans-67.9-24.7-172.177.50000112.7I114 K182 A183 R232I114-V186 HydrophobicContact CD1-CG1 3.92Å; I114-V186 HydrophobicContact CG1-CG1 4.21Å; I114-V186 HydrophobicContact CG2-CG1 4.1Å; I114-V186 HydrophobicContact CG2-CG2 3.94Å; K182-V186 PolarHBondContact O-N 2.91Å; K182-V186 VanDerWaalsContact O-N 3.14Å; A183-V186 WeakPolarHBondContact O-CG1 3.44Å; A183-V186 PolarHBondContact O-N 3.26Å; V186-R232 PolarHBondContact O-NH1 2.82Å; V186-R232 PolarHBondContact O-NH2 3.19Å
187T90.6Very high93.7Very high88 Ų8853.1 Ų53.154%0.5428%0.281SS..THydrogen-bonded Turntrans-72.5-25.1170.445.30000113.3I114 H185I114-T187 HydrophobicContact CD1-CG2 4.48Å; H185-T187 PolarHBondContact O-N 3.05Å
188D93.1Very high93.2Very high57 Ų5758.7 Ų58.731%0.30531%0.31SS..SBendtrans-73.8138.7-176.7-58.3-1.4000109.8Y180 H185 R268Y180-D188 HydrophobicContact CD2-CB 3.8Å; Y180-D188 WeakPolarHBondContact CD2-O 3.4Å; Y180-D188 HydrophobicContact CE2-CB 3.73Å; H185-D188 IonicContact CG-OD2 3.32Å; H185-D188 IonicContact ND1-OD2 3.56Å; H185-D188 WeakPolarHBondContact O-CB 3.49Å; H185-D188 PolarHBondContact O-N 3.46Å; D188-R268 IonicContact OD2-CZ 3.22Å; D188-R268 IonicContact OD2-NH1 2.7Å; D188-R268 PolarHBondContact OD2-NH1 2.85Å; D188-R268 IonicContact OD2-NH2 3.16Å
189I93.3Very high92.4Very high55 Ų5559.4 Ų59.428%0.28232%0.32SS..BIsolated β-bridgetrans-76.2130.2176.8-56.8157.8000108.8K191 G231 Q233I189-K191 HydrophobicContact CB-CG 4.37Å; I189-K191 HydrophobicContact CG2-CD 4.31Å; I189-K191 HydrophobicContact CG2-CG 3.73Å; I189-K191 PolarHBondContact O-N 3.31Å; I189-G231 WeakPolarHBondContact CD1-O 3.11Å; I189-G231 VanDerWaalsContact CG2-O 3.31Å; I189-G231 WeakPolarHBondContact CG2-O 3.48Å; I189-Q233 HydrophobicContact CG2-CG 4.16Å
190V95.5Very high91.2Very high3 Ų368 Ų682%0.01835%0.351CS..  trans-79.4107.9172.1-176.20000109P178 Y180 L213 M265 I270P178-V190 HydrophobicContact CB-CB 4Å; P178-V190 HydrophobicContact CB-CG1 3.98Å; P178-V190 HydrophobicContact CB-CG2 4.31Å; P178-V190 HydrophobicContact CG-CB 4.05Å; P178-V190 HydrophobicContact CG-CG1 4.22Å; Y180-V190 HydrophobicContact CD1-CG2 4.13Å; Y180-V190 HydrophobicContact CD2-CG2 3.7Å; Y180-V190 HydrophobicContact CE1-CG2 4.06Å; Y180-V190 HydrophobicContact CE2-CB 4.36Å; Y180-V190 HydrophobicContact CE2-CG2 3.65Å; Y180-V190 HydrophobicContact CG-CG2 3.97Å; V190-L213 HydrophobicContact CG1-CD2 3.46Å; V190-L213 VanDerWaalsContact CG1-CD2 3.46Å; V190-M265 HydrophobicContact CG1-CG 3.96Å; V190-M265 HydrophobicContact CG1-SD 4.43Å; V190-I270 HydrophobicContact CG1-CG2 4.02Å; V190-I270 HydrophobicContact CG2-CG2 3.96Å
191K91.6Very high89.9Confident89 Ų8974.2 Ų74.239%0.38739%0.385SS..  trans-117.9166.2175.6-58-163.5176.4-167.60111.4I189I189-K191 HydrophobicContact CB-CG 4.37Å; I189-K191 HydrophobicContact CG2-CD 4.31Å; I189-K191 HydrophobicContact CG2-CG 3.73Å; I189-K191 PolarHBondContact O-N 3.31Å
192R94.8Very high88.7Confident3 Ų372.2 Ų72.21%0.01138%0.377CS..  trans-64.9167.6164.4-62.7173.684.3-170.17.3110H196 N203 A210 S211 H212 M256 C257R192-H196 PolarHBondContact NH1-O 3.42Å; R192-H196 VanDerWaalsContact NH1-O 3.16Å; R192-H196 PolarHBondContact NH2-O 2.93Å; R192-N203 PolarHBondContact NH1-ND2 3.09Å; R192-N203 PolarHBondContact NH1-OD1 3.15Å; R192-A210 WeakPolarHBondContact CD-O 3.36Å; R192-A210 PolarHBondContact NH1-O 3.12Å; R192-S211 VanDerWaalsContact CG-O 3.28Å; R192-S211 WeakPolarHBondContact CG-O 3.36Å; R192-S211 PolarHBondContact N-O 2.73Å; R192-H212 WeakPolarHBondContact CD-O 3.24Å; R192-M256 PolarHBondContact NE-O 2.87Å; R192-M256 PolarHBondContact NH2-O 2.88Å; R192-C257 HydrophobicContact CB-CB 4.15Å; R192-C257 HydrophobicContact CG-CB 4.02Å
193C94.9Very high87.8Confident4 Ų469.3 Ų69.33%0.02737%0.366CS..  trans-85.3154.3168.5650000110.5N195 H196 E197 C261 V262C193-N195 PolarHBondContact O-N 2.77Å; C193-N195 VanDerWaalsContact O-N 3.1Å; C193-H196 PolarHBondContact O-N 3.25Å; C193-H196 PolarHBondContact SG-ND1 2.83Å; C193-E197 PolarHBondContact O-N 3.49Å; C193-C261 HydrophobicContact CB-CB 3.99Å; C193-V262 WeakPolarHBondContact CB-O 3.38Å
194P93Very high86.5Confident62 Ų6272 Ų7240%0.40336%0.364SS..Hα-helixtrans-50.4-39.6-179.9-3136.1000114H196 E197 L198 G263P194-H196 VanDerWaalsContact C-N 3.32Å; P194-H196 PolarHBondContact O-N 2.76Å; P194-E197 PolarHBondContact O-N 3.01Å; P194-L198 WeakPolarHBondContact O-CB 3.37Å; P194-L198 WeakPolarHBondContact O-CG 3.36Å; P194-L198 PolarHBondContact O-N 3.4Å; P194-G263 WeakPolarHBondContact CD-O 3.37Å
195N92Very high85Confident135 Ų13570.5 Ų70.572%0.72238%0.381SS*.Hα-helixtrans-62.4-35.7179.8-58.423.7000113.1C193 G199C193-N195 PolarHBondContact O-N 2.77Å; C193-N195 VanDerWaalsContact O-N 3.1Å; N195-G199 PolarHBondContact O-N 2.78Å
196H92Very high83.7Confident37 Ų3773.3 Ų73.317%0.17139%0.394CS..Hα-helixtrans-86.8-27.6176.8-74.2134.9000112.6I154 R192 C193 P194 N203 C257 C261I154-H196 WeakPolarHBondContact CD1-NE2 3.49Å; R192-H196 PolarHBondContact NH1-O 3.42Å; R192-H196 VanDerWaalsContact NH1-O 3.16Å; R192-H196 PolarHBondContact NH2-O 2.93Å; C193-H196 PolarHBondContact O-N 3.25Å; C193-H196 PolarHBondContact SG-ND1 2.83Å; P194-H196 VanDerWaalsContact C-N 3.32Å; P194-H196 PolarHBondContact O-N 2.76Å; H196-N203 PolarHBondContact O-ND2 3.14Å; H196-N203 VanDerWaalsContact O-ND2 3.12Å; H196-C257 PolarHBondContact ND1-SG 2.69Å; H196-C257 VanDerWaalsContact ND1-SG 3.4Å; H196-C261 PolarHBondContact CE1-SG 3.1Å
197E91.6Very high82.8Confident64 Ų6477.8 Ų77.830%0.29943%0.427SS..Hα-helixtrans-69.1-44174.8-175.4164-162.400111.4C193 P194 N203 A210 S211C193-E197 PolarHBondContact O-N 3.49Å; P194-E197 PolarHBondContact O-N 3.01Å; E197-N203 PolarHBondContact O-ND2 3.48Å; E197-N203 VanDerWaalsContact O-ND2 3.13Å; E197-A210 HydrophobicContact CG-CB 4.17Å; E197-S211 WeakPolarHBondContact OE1-CA 3.4Å; E197-S211 WeakPolarHBondContact OE1-CB 3.3Å
198L87.3Confident82.6Confident146 Ų14674.3 Ų74.376%0.76441%0.406SS*.Hα-helixtrans-86.4-19.7-179.6-60.6173.1000114.4P194P194-L198 WeakPolarHBondContact O-CB 3.37Å; P194-L198 WeakPolarHBondContact O-CG 3.36Å; P194-L198 PolarHBondContact O-N 3.4Å
199G80.9Confident82.5Confident25 Ų2574 Ų7426%0.25841%0.408SS..  trans-71143.7-179.400000113.3N195 N203N195-G199 PolarHBondContact O-N 2.78Å; G199-N203 PolarHBondContact O-ND2 3.38Å
200R72.6Confident82.3Confident182 Ų18273.4 Ų73.469%0.68741%0.411SS*.SBendtrans-77.4-35.1-177.9-80.4-173.9-84.3-101.64.7113.9F202 N203 E204R200-F202 PolarHBondContact O-N 3.45Å; R200-N203 PolarHBondContact O-N 2.82Å; R200-E204 HydrophobicContact CB-CG 4.26Å; R200-E204 WeakPolarHBondContact CD-OE1 3.23Å; R200-E204 PolarHBondContact O-N 3.41Å
201D69.3Low82.1Confident142 Ų14274 Ų7476%0.75942%0.416SS*.THydrogen-bonded Turntrans-50.3-22.8-170.3-40.5-14.9000115.9
202F70.8Confident82.2Confident62 Ų6270 Ų7027%0.27240%0.398SS..THydrogen-bonded Turntrans-130.118.9-177.6-56.1-60000113.1I154 A155 R200 R215 M256I154-F202 HydrophobicContact CD1-CD2 4.48Å; I154-F202 HydrophobicContact CD1-CE2 4.15Å; A155-F202 HydrophobicContact CB-CD1 3.45Å; A155-F202 VanDerWaalsContact CB-CD1 3.45Å; A155-F202 HydrophobicContact CB-CE1 3.74Å; A155-F202 HydrophobicContact CB-CG 4.24Å; R200-F202 PolarHBondContact O-N 3.45Å; F202-R215 PolarHBondContact O-NH1 2.9Å; F202-M256 HydrophobicContact CB-CE 4.01Å
203N74.5Confident82.3Confident36 Ų3669.9 Ų69.919%0.19340%0.398CS..THydrogen-bonded Turntrans-132.1-19.5-177.2-72.2-50000113.9R192 H196 E197 G199 R200 R215R192-N203 PolarHBondContact NH1-ND2 3.09Å; R192-N203 PolarHBondContact NH1-OD1 3.15Å; H196-N203 PolarHBondContact O-ND2 3.14Å; H196-N203 VanDerWaalsContact O-ND2 3.12Å; E197-N203 PolarHBondContact O-ND2 3.48Å; E197-N203 VanDerWaalsContact O-ND2 3.13Å; G199-N203 PolarHBondContact O-ND2 3.38Å; R200-N203 PolarHBondContact O-N 2.82Å; N203-R215 PolarHBondContact OD1-NH1 3.17Å; N203-R215 PolarHBondContact OD1-NH2 3.42Å
204E63.4Low82.4Confident143 Ų14369.9 Ų69.967%0.66840%0.398SS*.THydrogen-bonded Turntrans-67.1141.7174.4-67.1-173.8160.600112.1R200 Q206R200-E204 HydrophobicContact CB-CG 4.26Å; R200-E204 WeakPolarHBondContact CD-OE1 3.23Å; R200-E204 PolarHBondContact O-N 3.41Å; E204-Q206 VanDerWaalsContact C-N 3.3Å; E204-Q206 PolarHBondContact O-N 3.47Å
205G61.2Low82.6Confident90 Ų9067.1 Ų67.193%0.92838%0.379SS*.THydrogen-bonded Turntrans72.86.3174.500000116.9
206Q64.9Low82.7Confident90 Ų9061.5 Ų61.542%0.42135%0.349SS..  trans-113.6131-176.1-62.4-173.84.700112.7E204 A208 R215E204-Q206 VanDerWaalsContact C-N 3.3Å; E204-Q206 PolarHBondContact O-N 3.47Å; Q206-A208 PolarHBondContact O-N 2.86Å; Q206-R215 VanDerWaalsContact OE1-CD 3.28Å
207S72.1Confident82.7Confident121 Ų12163.8 Ų63.885%0.84636%0.36SS*.SBendtrans-68.56.1176.6-40.40000114.9
208A86.3Confident82.6Confident14 Ų1464.5 Ų64.512%0.11638%0.384CS..SBendtrans-103.6136.2-168.300000111.2Q206 R215 Y224Q206-A208 PolarHBondContact O-N 2.86Å; A208-R215 VanDerWaalsContact CB-CD 3.44Å; A208-R215 HydrophobicContact CB-CG 3.81Å; A208-Y224 HydrophobicContact CB-CD1 4.29Å; A208-Y224 HydrophobicContact CB-CD2 4.15Å; A208-Y224 HydrophobicContact CB-CE1 3.74Å; A208-Y224 HydrophobicContact CB-CE2 3.59Å; A208-Y224 HydrophobicContact CB-CG 4.49Å
209P89.8Confident82.6Confident51 Ų5159.3 Ų59.333%0.33136%0.357SS..  trans-57.2145.8-178.1-24.233.3000113.2S211 H212 R215 Y224P209-S211 PolarHBondContact O-N 3.31Å; P209-H212 PolarHBondContact O-N 3.2Å; P209-R215 PolarHBondContact O-NH2 2.99Å; P209-Y224 VanDerWaalsContact CD-CB 3.43Å; P209-Y224 HydrophobicContact CG-CG 4.29Å
210A90.4Very high83Confident42 Ų4265.7 Ų65.735%0.34739%0.386SS..THydrogen-bonded Turntrans-58.5-31.3-177.100000113.3R192 E197R192-A210 WeakPolarHBondContact CD-O 3.36Å; R192-A210 PolarHBondContact NH1-O 3.12Å; E197-A210 HydrophobicContact CG-CB 4.17Å
211S90.9Very high84Confident17 Ų1761.9 Ų61.912%0.11938%0.378CS..THydrogen-bonded Turntrans-75.3-34.5-175.7540000114.8R192 E197 P209 L213 Q233R192-S211 VanDerWaalsContact CG-O 3.28Å; R192-S211 WeakPolarHBondContact CG-O 3.36Å; R192-S211 PolarHBondContact N-O 2.73Å; E197-S211 WeakPolarHBondContact OE1-CA 3.4Å; E197-S211 WeakPolarHBondContact OE1-CB 3.3Å; P209-S211 PolarHBondContact O-N 3.31Å; S211-L213 PolarHBondContact O-N 3.2Å; S211-Q233 PolarHBondContact O-OE1 3.12Å; S211-Q233 VanDerWaalsContact O-OE1 3.1Å; S211-Q233 PolarHBondContact OG-NE2 3.46Å
212H94.4Very high85.3Confident3 Ų355.9 Ų55.91%0.01435%0.349CS..  trans-65.6125.4-168.4-81.7-121.1000113.1R192 P209 Y224 D226 Q233 S234R192-H212 WeakPolarHBondContact CD-O 3.24Å; P209-H212 PolarHBondContact O-N 3.2Å; H212-Y224 HydrophobicContact CB-CD1 4.27Å; H212-Y224 AromaticContact CG-CD1 3.97Å; H212-Y224 AromaticContact ND1-CD1 3.64Å; H212-D226 IonicContact NE2-OD1 3.18Å; H212-D226 IonicContact NE2-OD2 2.66Å; H212-Q233 PolarHBondContact CD2-NE2 2.85Å; H212-Q233 VanDerWaalsContact CD2-NE2 3.33Å; H212-S234 PolarHBondContact CE1-O 3.24Å; H212-S234 PolarHBondContact ND1-O 3.17Å
213L96.6Very high86.4Confident1 Ų159 Ų591%0.00536%0.364CS..SBendtrans-67.4-40.9176.4176.262.6000113.2P178 V190 S211 F255 M256 C257 M265 I270P178-L213 HydrophobicContact CB-CD2 4.24Å; P178-L213 HydrophobicContact CG-CD2 4.43Å; V190-L213 HydrophobicContact CG1-CD2 3.46Å; V190-L213 VanDerWaalsContact CG1-CD2 3.46Å; S211-L213 PolarHBondContact O-N 3.2Å; L213-F255 WeakPolarHBondContact O-CA 3.44Å; L213-M256 PolarHBondContact O-N 3.07Å; L213-C257 HydrophobicContact CD1-CB 3.68Å; L213-M265 HydrophobicContact CD1-CE 3.7Å; L213-M265 HydrophobicContact CD2-CE 3.9Å; L213-M265 HydrophobicContact CD2-CG 4.49Å; L213-M265 HydrophobicContact CD2-SD 3.75Å; L213-M265 HydrophobicContact CG-CE 4.49Å; L213-I270 HydrophobicContact CD2-CD1 3.86Å
214I97.3Very high87.5Confident5 Ų559.6 Ų59.63%0.02636%0.364CS..EExtended strand (participates in β ladder)trans-102.6129.2-177.9-53-175.9000108.5A176 P178 V235 Y253 F255 V272A176-I214 HydrophobicContact CB-CD1 4.49Å; P178-I214 HydrophobicContact CB-CD1 4.08Å; P178-I214 HydrophobicContact CB-CG1 4.49Å; P178-I214 HydrophobicContact CG-CD1 4.08Å; P178-I214 HydrophobicContact CG-CG1 4.21Å; I214-V235 HydrophobicContact CB-CG1 4.37Å; I214-V235 HydrophobicContact CG2-CG1 3.91Å; I214-Y253 HydrophobicContact CG2-CD1 3.65Å; I214-Y253 HydrophobicContact CG2-CE1 4.25Å; I214-F255 HydrophobicContact CD1-CE1 3.9Å; I214-F255 HydrophobicContact CG1-CD1 4.02Å; I214-F255 HydrophobicContact CG1-CE1 3.83Å; I214-V272 HydrophobicContact CD1-CG1 3.88Å; I214-V272 HydrophobicContact CD1-CG2 4.2Å
215R95.4Very high88.9Confident3 Ų354.9 Ų54.91%0.01135%0.345CS..EExtended strand (participates in β ladder)trans-122.5162.4171.5-66.5-174178.9162.23111F202 N203 Q206 A208 P209 Y224 Y253 N254 M256F202-R215 PolarHBondContact O-NH1 2.9Å; N203-R215 PolarHBondContact OD1-NH1 3.17Å; N203-R215 PolarHBondContact OD1-NH2 3.42Å; Q206-R215 VanDerWaalsContact OE1-CD 3.28Å; A208-R215 VanDerWaalsContact CB-CD 3.44Å; A208-R215 HydrophobicContact CB-CG 3.81Å; P209-R215 PolarHBondContact O-NH2 2.99Å; R215-Y224 WeakPolarHBondContact CA-OH 3.21Å; R215-Y224 HydrophobicContact CB-CE1 4.35Å; R215-Y224 HydrophobicContact CG-CE1 4.02Å; R215-Y253 CarbonylContact O-C 3.45Å; R215-Y253 WeakPolarHBondContact O-CA 3.45Å; R215-N254 PolarHBondContact N-O 3.15Å; R215-N254 PolarHBondContact O-N 3.08Å; R215-M256 HydrophobicContact CB-CG 4.25Å; R215-M256 HydrophobicContact CB-SD 4.36Å; R215-M256 HydrophobicContact CG-CG 3.75Å; R215-M256 HydrophobicContact CG-SD 4.36Å
216V95.8Very high90.6Very high17 Ų1754.5 Ų54.510%0.10332%0.322CS..EExtended strand (participates in β ladder)trans-117.1134174.5174.40000108.8N219 A222 Y224 V235 V237 I251 L252 Y253V216-N219 HydrophobicContact CG1-CB 4.02Å; V216-A222 HydrophobicContact CB-CB 3.93Å; V216-A222 HydrophobicContact CG1-CB 4.18Å; V216-Y224 PolarHBondContact N-OH 3.29Å; V216-V235 HydrophobicContact CB-CG2 4.46Å; V216-V235 HydrophobicContact CG2-CG1 4Å; V216-V235 HydrophobicContact CG2-CG2 3.79Å; V216-V237 HydrophobicContact CB-CG2 4.37Å; V216-V237 HydrophobicContact CG1-CG2 4.09Å; V216-V237 HydrophobicContact CG2-CG2 3.79Å; V216-I251 HydrophobicContact CG1-CG2 3.99Å; V216-I251 HydrophobicContact CG2-CG2 4.16Å; V216-L252 CarbonylContact C-O 3.54Å; V216-L252 VanDerWaalsContact CA-O 3.3Å; V216-L252 WeakPolarHBondContact CA-O 3.47Å; V216-Y253 HydrophobicContact CG2-CD1 3.7Å; V216-Y253 HydrophobicContact CG2-CE1 3.6Å
217E92.1Very high91.9Very high86 Ų8652.6 Ų52.640%0.40231%0.314SS..EExtended strand (participates in β ladder)trans-103.2145.9178.8-176.5176164.100110.2T157 N219 L252 N254T157-E217 WeakPolarHBondContact CB-OE2 3.33Å; T157-E217 HydrophobicContact CG2-CB 4.49Å; T157-E217 WeakPolarHBondContact CG2-OE2 3.48Å; T157-E217 PolarHBondContact OG1-OE2 2.96Å; E217-N219 PolarHBondContact O-N 3.49Å; E217-N219 VanDerWaalsContact O-N 3.14Å; E217-L252 HydrophobicContact CB-CB 4.09Å; E217-L252 PolarHBondContact N-O 3.15Å; E217-N254 VanDerWaalsContact CB-OD1 3.31Å; E217-N254 WeakPolarHBondContact CB-OD1 3.42Å; E217-N254 PolarHBondContact OE2-ND2 2.79Å; E217-N254 PolarHBondContact OE2-OD1 3.24Å
218G87.6Confident92.7Very high78 Ų7852.9 Ų52.980%0.80431%0.313SS*.SBendtrans74.1-6.4175.100000117.1
219N89.4Confident92.8Very high37 Ų3757.1 Ų57.120%0.19834%0.337CS..  trans-118.3109.6177.4-166.4-55.5000111.9V216 E217 L221 A222 V237 E240V216-N219 HydrophobicContact CG1-CB 4.02Å; E217-N219 PolarHBondContact O-N 3.49Å; E217-N219 VanDerWaalsContact O-N 3.14Å; N219-L221 VanDerWaalsContact C-N 3.26Å; N219-L221 PolarHBondContact O-N 2.75Å; N219-L221 WeakPolarHBondContact OD1-CA 3.39Å; N219-L221 VanDerWaalsContact OD1-CB 3.3Å; N219-L221 WeakPolarHBondContact OD1-CB 3.44Å; N219-L221 PolarHBondContact OD1-N 2.85Å; N219-A222 WeakPolarHBondContact O-CB 3.35Å; N219-A222 PolarHBondContact O-N 3.03Å; N219-A222 PolarHBondContact OD1-N 2.68Å; N219-V237 HydrophobicContact CB-CG1 4.44Å; N219-E240 PolarHBondContact ND2-OE1 2.72Å
220N89.1Confident92.8Very high159 Ų15956.2 Ų56.285%0.8533%0.331SS*.THydrogen-bonded Turntrans-77.6-6.3-179.2-68.6-17000114.1A222N220-A222 VanDerWaalsContact C-N 3.34Å
221L93.3Very high92.9Very high102 Ų10255.4 Ų55.453%0.53433%0.327SS..THydrogen-bonded Turntrans-91.52.1173.8-52.1177.7000112.1N219 Q223 P238N219-L221 VanDerWaalsContact C-N 3.26Å; N219-L221 PolarHBondContact O-N 2.75Å; N219-L221 WeakPolarHBondContact OD1-CA 3.39Å; N219-L221 VanDerWaalsContact OD1-CB 3.3Å; N219-L221 WeakPolarHBondContact OD1-CB 3.44Å; N219-L221 PolarHBondContact OD1-N 2.85Å; L221-Q223 PolarHBondContact O-N 3.46Å; L221-P238 HydrophobicContact CB-CG 3.86Å; L221-P238 HydrophobicContact CD1-CG 4.18Å
222A95.4Very high93.1Very high16 Ų1655.1 Ų55.113%0.13232%0.323CS..  trans-66.2112.2176.400000111.5V216 N219 N220 Y224 V235 V236 V237V216-A222 HydrophobicContact CB-CB 3.93Å; V216-A222 HydrophobicContact CG1-CB 4.18Å; N219-A222 WeakPolarHBondContact O-CB 3.35Å; N219-A222 PolarHBondContact O-N 3.03Å; N219-A222 PolarHBondContact OD1-N 2.68Å; N220-A222 VanDerWaalsContact C-N 3.34Å; A222-Y224 HydrophobicContact CB-CE2 4.33Å; A222-V235 HydrophobicContact CB-CG2 4.25Å; A222-V236 CarbonylContact C-O 3.58Å; A222-V236 WeakPolarHBondContact CA-O 3.32Å; A222-V237 HydrophobicContact CB-CG2 4.18Å
223Q95.4Very high93.1Very high129 Ų12955.2 Ų55.260%0.60332%0.324SS*.EExtended strand (participates in β ladder)trans-95.7129.5179.1-64.2-179.64.300110.5L221 V235 V236L221-Q223 PolarHBondContact O-N 3.46Å; Q223-V235 CarbonylContact O-C 3.58Å; Q223-V235 WeakPolarHBondContact O-CA 3.47Å; Q223-V236 HydrophobicContact CB-CB 4.46Å; Q223-V236 PolarHBondContact N-O 3.49Å; Q223-V236 PolarHBondContact O-N 2.94Å
224Y96Very high93.1Very high47 Ų4755.5 Ų55.518%0.18433%0.325CS..EExtended strand (participates in β ladder)trans-97.8120.4178.2-67.3-88.5000109A208 P209 H212 R215 V216 A222 V235A208-Y224 HydrophobicContact CB-CD1 4.29Å; A208-Y224 HydrophobicContact CB-CD2 4.15Å; A208-Y224 HydrophobicContact CB-CE1 3.74Å; A208-Y224 HydrophobicContact CB-CE2 3.59Å; A208-Y224 HydrophobicContact CB-CG 4.49Å; P209-Y224 VanDerWaalsContact CD-CB 3.43Å; P209-Y224 HydrophobicContact CG-CG 4.29Å; H212-Y224 HydrophobicContact CB-CD1 4.27Å; H212-Y224 AromaticContact CG-CD1 3.97Å; H212-Y224 AromaticContact ND1-CD1 3.64Å; R215-Y224 WeakPolarHBondContact CA-OH 3.21Å; R215-Y224 HydrophobicContact CB-CE1 4.35Å; R215-Y224 HydrophobicContact CG-CE1 4.02Å; V216-Y224 PolarHBondContact N-OH 3.29Å; A222-Y224 HydrophobicContact CB-CE2 4.33Å; Y224-V235 HydrophobicContact CD1-CB 4.07Å; Y224-V235 HydrophobicContact CD1-CG2 3.94Å; Y224-V235 HydrophobicContact CE1-CB 3.93Å; Y224-V235 HydrophobicContact CE1-CG2 3.58Å; Y224-V235 HydrophobicContact CE2-CG2 4.34Å; Y224-V235 HydrophobicContact CG-CG2 4.46Å
225V94.5Very high93.1Very high44 Ų4455.2 Ų55.227%0.26732%0.324SS..EExtended strand (participates in β ladder)trans-123.1113.2-171.3-177.30000110S234 V236V225-S234 PolarHBondContact N-O 2.83Å; V225-S234 PolarHBondContact O-N 2.96Å; V225-S234 PolarHBondContact O-OG 3.08Å; V225-V236 HydrophobicContact CG2-CG2 4Å
226D95Very high93.2Very high83 Ų8355.8 Ų55.844%0.44433%0.328SS..EExtended strand (participates in β ladder)trans-83.3118.3158.2-78.1-42.2000108.3H212 Q233H212-D226 IonicContact NE2-OD1 3.18Å; H212-D226 IonicContact NE2-OD2 2.66Å; D226-Q233 WeakPolarHBondContact OD1-CG 3.44Å; D226-Q233 PolarHBondContact OD1-NE2 3.34Å
227D92.1Very high93.3Very high50 Ų5055.1 Ų55.127%0.26732%0.324SS..  trans-67.5125.1177.9176.5-89.3000111V229 T230 G231 R232D227-V229 VanDerWaalsContact C-N 3.27Å; D227-V229 PolarHBondContact O-N 3.15Å; D227-V229 PolarHBondContact OD1-N 2.92Å; D227-V229 VanDerWaalsContact OD1-N 3.13Å; D227-T230 WeakPolarHBondContact CB-OG1 3.45Å; D227-T230 VanDerWaalsContact CG-OG1 3.23Å; D227-T230 WeakPolarHBondContact OD1-CB 3.35Å; D227-T230 WeakPolarHBondContact OD1-CG2 3.46Å; D227-T230 PolarHBondContact OD1-N 3.32Å; D227-T230 PolarHBondContact OD1-OG1 3.08Å; D227-G231 WeakPolarHBondContact O-CA 3.28Å; D227-G231 PolarHBondContact O-N 3.29Å; D227-R232 HydrophobicContact CB-CB 4.38Å; D227-R232 WeakPolarHBondContact CB-O 3.45Å; D227-R232 PolarHBondContact N-O 3.08Å
228P89.8Confident93.5Very high126 Ų12653.5 Ų53.582%0.81832%0.321SS*.THydrogen-bonded Turntrans-74.7-11.5-16929.4-36.1000114.6
229V88.5Confident93.9Very high103 Ų10351.5 Ų51.562%0.62429%0.289SS*.THydrogen-bonded Turntrans-101.1-38-178.8-179.20000111.2D227D227-V229 VanDerWaalsContact C-N 3.27Å; D227-V229 PolarHBondContact O-N 3.15Å; D227-V229 PolarHBondContact OD1-N 2.92Å; D227-V229 VanDerWaalsContact OD1-N 3.13Å
230T90.5Very high94.2Very high32 Ų3254 Ų5420%0.19630%0.299CS..THydrogen-bonded Turntrans-110-11.9-172.566.70000113.6V113 D227 R232V113-T230 HydrophobicContact CB-CG2 4.37Å; V113-T230 HydrophobicContact CG1-CG2 4.24Å; V113-T230 HydrophobicContact CG2-CG2 4.41Å; D227-T230 WeakPolarHBondContact CB-OG1 3.45Å; D227-T230 VanDerWaalsContact CG-OG1 3.23Å; D227-T230 WeakPolarHBondContact OD1-CB 3.35Å; D227-T230 WeakPolarHBondContact OD1-CG2 3.46Å; D227-T230 PolarHBondContact OD1-N 3.32Å; D227-T230 PolarHBondContact OD1-OG1 3.08Å; T230-R232 PolarHBondContact O-N 2.93Å; T230-R232 WeakPolarHBondContact OG1-CB 3.49Å; T230-R232 WeakPolarHBondContact OG1-CG 3.35Å; T230-R232 PolarHBondContact OG1-N 2.97Å
231G91.9Very high94.4Very high25 Ų2550.8 Ų50.826%0.25829%0.287SS..  trans64.813.1-173.800000114.1I189 D227I189-G231 WeakPolarHBondContact CD1-O 3.11Å; I189-G231 VanDerWaalsContact CG2-O 3.31Å; I189-G231 WeakPolarHBondContact CG2-O 3.48Å; D227-G231 WeakPolarHBondContact O-CA 3.28Å; D227-G231 PolarHBondContact O-N 3.29Å
232R94.3Very high94.4Very high11 Ų1147.8 Ų47.84%0.04227%0.274CS..  trans-74.9127.3-178-70.5-177.8-171.6-75.82.2110.7V113 M177 V186 D227 T230V113-R232 PolarHBondContact O-NE 3.14Å; V113-R232 VanDerWaalsContact O-NE 3.07Å; V113-R232 PolarHBondContact O-NH2 2.66Å; M177-R232 HydrophobicContact SD-CB 4.03Å; V186-R232 PolarHBondContact O-NH1 2.82Å; V186-R232 PolarHBondContact O-NH2 3.19Å; D227-R232 HydrophobicContact CB-CB 4.38Å; D227-R232 WeakPolarHBondContact CB-O 3.45Å; D227-R232 PolarHBondContact N-O 3.08Å; T230-R232 PolarHBondContact O-N 2.93Å; T230-R232 WeakPolarHBondContact OG1-CB 3.49Å; T230-R232 WeakPolarHBondContact OG1-CG 3.35Å; T230-R232 PolarHBondContact OG1-N 2.97Å
233Q95.9Very high94.2Very high6 Ų654.6 Ų54.63%0.02830%0.303CS..EExtended strand (participates in β ladder)trans-85.6133.8-179.7-40.4-150.9-8500110.1P178 I189 S211 H212 D226P178-Q233 WeakPolarHBondContact CD-O 3.42Å; I189-Q233 HydrophobicContact CG2-CG 4.16Å; S211-Q233 PolarHBondContact O-OE1 3.12Å; S211-Q233 VanDerWaalsContact O-OE1 3.1Å; S211-Q233 PolarHBondContact OG-NE2 3.46Å; H212-Q233 PolarHBondContact CD2-NE2 2.85Å; H212-Q233 VanDerWaalsContact CD2-NE2 3.33Å; D226-Q233 WeakPolarHBondContact OD1-CG 3.44Å; D226-Q233 PolarHBondContact OD1-NE2 3.34Å
234S96.8Very high94.1Very high6 Ų656.1 Ų56.14%0.04232%0.321CS..EExtended strand (participates in β ladder)trans-143.5162.5175.961.10000111.5R175 A176 H212 V225R175-S234 PolarHBondContact NH1-OG 3.05Å; A176-S234 WeakPolarHBondContact O-CA 3.34Å; A176-S234 WeakPolarHBondContact O-CB 3.49Å; H212-S234 PolarHBondContact CE1-O 3.24Å; H212-S234 PolarHBondContact ND1-O 3.17Å; V225-S234 PolarHBondContact N-O 2.83Å; V225-S234 PolarHBondContact O-N 2.96Å; V225-S234 PolarHBondContact O-OG 3.08Å
235V97.3Very high93.8Very high0 Ų057.9 Ų57.90%035%0.353CS..EExtended strand (participates in β ladder)trans-122.1134.7169.862.10000109.1R175 A176 I214 V216 A222 Q223 Y224 Y253R175-V235 CarbonylContact C-O 3.56Å; R175-V235 VanDerWaalsContact CA-O 3.32Å; R175-V235 WeakPolarHBondContact CA-O 3.39Å; A176-V235 HydrophobicContact CB-CG1 4.1Å; A176-V235 PolarHBondContact N-O 3.27Å; A176-V235 PolarHBondContact O-N 2.95Å; I214-V235 HydrophobicContact CB-CG1 4.37Å; I214-V235 HydrophobicContact CG2-CG1 3.91Å; V216-V235 HydrophobicContact CB-CG2 4.46Å; V216-V235 HydrophobicContact CG2-CG1 4Å; V216-V235 HydrophobicContact CG2-CG2 3.79Å; A222-V235 HydrophobicContact CB-CG2 4.25Å; Q223-V235 CarbonylContact O-C 3.58Å; Q223-V235 WeakPolarHBondContact O-CA 3.47Å; Y224-V235 HydrophobicContact CD1-CB 4.07Å; Y224-V235 HydrophobicContact CD1-CG2 3.94Å; Y224-V235 HydrophobicContact CE1-CB 3.93Å; Y224-V235 HydrophobicContact CE1-CG2 3.58Å; Y224-V235 HydrophobicContact CE2-CG2 4.34Å; Y224-V235 HydrophobicContact CG-CG2 4.46Å; V235-Y253 HydrophobicContact CG1-CE1 4.14Å
236V97.1Very high93.7Very high14 Ų1458.7 Ų58.79%0.08536%0.359CS..EExtended strand (participates in β ladder)trans-118.9131.2-176.3-174.70000108.5A173 I174 R175 A222 Q223 V225A173-V236 HydrophobicContact CB-CG1 3.65Å; I174-V236 CarbonylContact O-C 3.53Å; I174-V236 WeakPolarHBondContact O-CA 3.25Å; R175-V236 HydrophobicContact CB-CG2 4.13Å; R175-V236 HydrophobicContact CG-CG2 3.97Å; R175-V236 VanDerWaalsContact CZ-CG2 3.44Å; A222-V236 CarbonylContact C-O 3.58Å; A222-V236 WeakPolarHBondContact CA-O 3.32Å; Q223-V236 HydrophobicContact CB-CB 4.46Å; Q223-V236 PolarHBondContact N-O 3.49Å; Q223-V236 PolarHBondContact O-N 2.94Å; V225-V236 HydrophobicContact CG2-CG2 4Å
237V97.1Very high93.6Very high4 Ų460.7 Ų60.72%0.02437%0.366CS..EExtended strand (participates in β ladder)trans-124.5136.1175.4-171.40000107.7A173 I174 V216 N219 A222 I251A173-V237 CarbonylContact C-O 3.59Å; A173-V237 WeakPolarHBondContact CA-O 3.28Å; I174-V237 PolarHBondContact N-O 3.28Å; I174-V237 PolarHBondContact O-N 2.86Å; V216-V237 HydrophobicContact CB-CG2 4.37Å; V216-V237 HydrophobicContact CG1-CG2 4.09Å; V216-V237 HydrophobicContact CG2-CG2 3.79Å; N219-V237 HydrophobicContact CB-CG1 4.44Å; A222-V237 HydrophobicContact CB-CG2 4.18Å; V237-I251 HydrophobicContact CG2-CG2 4.46Å
238P96.6Very high93.8Very high52 Ų5261.3 Ų61.334%0.33837%0.366SS..EExtended strand (participates in β ladder)trans-53141.8171-2635.7000111.4L221 E240L221-P238 HydrophobicContact CB-CG 3.86Å; L221-P238 HydrophobicContact CD1-CG 4.18Å; P238-E240 PolarHBondContact O-N 2.71Å
239Y96.4Very high94Very high35 Ų3556.4 Ų56.414%0.13733%0.334CS..  trans-74.5115.3173170.9-92.7000109.5V164 P168 T172 I174 P241 P242 L276V164-Y239 HydrophobicContact CG2-CE2 4.27Å; V164-Y239 WeakPolarHBondContact CG2-OH 3.27Å; P168-Y239 VanDerWaalsContact CD-CE1 3.46Å; P168-Y239 HydrophobicContact CG-CD1 3.49Å; P168-Y239 VanDerWaalsContact CG-CD1 3.49Å; P168-Y239 HydrophobicContact CG-CD2 4.47Å; P168-Y239 HydrophobicContact CG-CE1 3.5Å; P168-Y239 VanDerWaalsContact CG-CE1 3.5Å; P168-Y239 HydrophobicContact CG-CE2 4.46Å; P168-Y239 HydrophobicContact CG-CG 4.01Å; T172-Y239 WeakPolarHBondContact O-CB 3.46Å; T172-Y239 PolarHBondContact O-N 3.04Å; I174-Y239 HydrophobicContact CD1-CD2 4.22Å; I174-Y239 HydrophobicContact CG1-CD2 4.36Å; Y239-P241 HydrophobicContact CE1-CB 4.49Å; Y239-P241 HydrophobicContact CE1-CG 4.14Å; Y239-P242 WeakPolarHBondContact OH-CD 3.32Å; Y239-L276 HydrophobicContact CD2-CD1 4.14Å; Y239-L276 HydrophobicContact CG-CD1 4.45Å
240E94.4Very high94.4Very high89 Ų8954.5 Ų54.542%0.41632%0.322SS..PPolyproline II helixtrans-99.5130.3170.6-69.2170.4-15500109N219 P238 T249N219-E240 PolarHBondContact ND2-OE1 2.72Å; P238-E240 PolarHBondContact O-N 2.71Å; E240-T249 HydrophobicContact CB-CG2 4.35Å; E240-T249 WeakPolarHBondContact O-CB 3.33Å; E240-T249 WeakPolarHBondContact O-CG2 3.1Å; E240-T249 PolarHBondContact O-OG1 2.88Å
241P93.4Very high94.7Very high92 Ų9253.7 Ų53.760%0.59732%0.316SS*.PPolyproline II helixtrans-59.6152.3174.4-24.134.1000113Y239Y239-P241 HydrophobicContact CE1-CB 4.49Å; Y239-P241 HydrophobicContact CE1-CG 4.14Å
242P94.6Very high95Very high40 Ų4055.4 Ų55.426%0.2632%0.319SS..PPolyproline II helixtrans-53.6146.1171.7-27.535.3000112.4Y239 T246Y239-P242 WeakPolarHBondContact OH-CD 3.32Å; P242-T246 WeakPolarHBondContact CB-O 3.34Å
243Q90.9Very high95.1Very high159 Ų15955 Ų5574%0.74332%0.318SS*.PPolyproline II helixtrans-71.1156176.3-66.5-176.2-300110.5G245 T246Q243-G245 PolarHBondContact O-N 3.29Å; Q243-G245 VanDerWaalsContact O-N 3.11Å; Q243-T246 PolarHBondContact N-OG1 3.39Å; Q243-T246 PolarHBondContact O-N 3.4Å; Q243-T246 PolarHBondContact O-OG1 3.26Å
244V92.1Very high95.1Very high160 Ų16055.2 Ų55.297%0.9732%0.319SS*.THydrogen-bonded Turntrans-58.1120.4-179.4-178.80000109.8
245G90.4Very high95.2Very high84 Ų8455 Ų5587%0.86632%0.318SS*.THydrogen-bonded Turntrans96-2.1-174.900000115.4Q243Q243-G245 PolarHBondContact O-N 3.29Å; Q243-G245 VanDerWaalsContact O-N 3.11Å
246T92.9Very high95.1Very high62 Ų6255 Ų5538%0.3832%0.318SS..  trans-114.7151.7170.578.20000112P242 Q243 F248P242-T246 WeakPolarHBondContact CB-O 3.34Å; Q243-T246 PolarHBondContact N-OG1 3.39Å; Q243-T246 PolarHBondContact O-N 3.4Å; Q243-T246 PolarHBondContact O-OG1 3.26Å; T246-F248 PolarHBondContact OG1-O 3.01Å; T246-F248 VanDerWaalsContact OG1-O 3.06Å
247E92.4Very high95.1Very high125 Ų12554.3 Ų54.358%0.58431%0.314SS*.SBendtrans-94.2-4.5175.1-62.2-168.8103.400113.6K163K163-E247 HydrophobicContact CD-CB 4.4Å; K163-E247 IonicContact NZ-OE1 2.65Å; K163-E247 PolarHBondContact NZ-OE1 2.97Å; K163-E247 IonicContact NZ-OE2 2.65Å; K163-E247 PolarHBondContact NZ-OE2 3.12Å
248F95.4Very high95.1Very high62 Ų6255.7 Ų55.727%0.27232%0.321SS..EExtended strand (participates in β ladder)trans-145152.3-168.855.6-98000111.8Q161 I162 K163 T246Q161-F248 HydrophobicContact CB-CB 4.23Å; Q161-F248 HydrophobicContact CB-CD2 4.01Å; Q161-F248 HydrophobicContact CB-CG 4.15Å; Q161-F248 HydrophobicContact CG-CD2 3.67Å; Q161-F248 HydrophobicContact CG-CE2 3.93Å; Q161-F248 HydrophobicContact CG-CG 4.19Å; Q161-F248 VanDerWaalsContact NE2-CE2 3.26Å; I162-F248 VanDerWaalsContact O-CA 3.24Å; I162-F248 WeakPolarHBondContact O-CA 3.48Å; I162-F248 WeakPolarHBondContact O-CB 3.41Å; K163-F248 HydrophobicContact CB-CB 4.44Å; T246-F248 PolarHBondContact OG1-O 3.01Å; T246-F248 VanDerWaalsContact OG1-O 3.06Å
249T95.7Very high95.1Very high24 Ų2454.1 Ų54.115%0.14731%0.311CS..EExtended strand (participates in β ladder)trans-100.9132.9170.1-54.30000108.2I162 E240I162-T249 PolarHBondContact N-O 3.3Å; I162-T249 PolarHBondContact O-N 3.29Å; E240-T249 HydrophobicContact CB-CG2 4.35Å; E240-T249 WeakPolarHBondContact O-CB 3.33Å; E240-T249 WeakPolarHBondContact O-CG2 3.1Å; E240-T249 PolarHBondContact O-OG1 2.88Å
250T96.4Very high95.1Very high62 Ų6255.4 Ų55.438%0.3833%0.325SS..EExtended strand (participates in β ladder)trans-102.6123.1-178.6-560000110.4P159 I160 L252P159-T250 HydrophobicContact CB-CG2 3.61Å; I160-T250 WeakPolarHBondContact O-CA 3.44Å; T250-L252 HydrophobicContact CG2-CD2 4.25Å
251I97.5Very high95.2Very high15 Ų1552.1 Ų52.18%0.07731%0.312CS..EExtended strand (participates in β ladder)trans-103.2130.9172.2-55.5176.8000108.4I160 I162 I174 V216 V237 Y253I160-I251 PolarHBondContact N-O 3.42Å; I160-I251 PolarHBondContact O-N 2.99Å; I162-I251 HydrophobicContact CG1-CD1 3.92Å; I162-I251 HydrophobicContact CG1-CG1 4.22Å; I174-I251 HydrophobicContact CB-CD1 3.92Å; I174-I251 HydrophobicContact CG1-CD1 4.11Å; I174-I251 HydrophobicContact CG2-CD1 3.74Å; V216-I251 HydrophobicContact CG1-CG2 3.99Å; V216-I251 HydrophobicContact CG2-CG2 4.16Å; V237-I251 HydrophobicContact CG2-CG2 4.46Å; I251-Y253 HydrophobicContact CB-CD2 4.17Å; I251-Y253 HydrophobicContact CB-CE2 3.62Å; I251-Y253 HydrophobicContact CG2-CD1 4.4Å; I251-Y253 HydrophobicContact CG2-CD2 3.92Å; I251-Y253 HydrophobicContact CG2-CE1 3.98Å; I251-Y253 HydrophobicContact CG2-CE2 3.48Å; I251-Y253 VanDerWaalsContact CG2-CE2 3.48Å; I251-Y253 HydrophobicContact CG2-CG 4.39Å
252L97Very high95.2Very high61 Ų6153.1 Ų53.132%0.31932%0.316SS..EExtended strand (participates in β ladder)trans-91.4106.9-179.7-58.5-177.9000109.1T157 P159 V216 E217 T250T157-L252 HydrophobicContact CG2-CB 3.73Å; T157-L252 HydrophobicContact CG2-CD1 4.22Å; T157-L252 HydrophobicContact CG2-CD2 4.09Å; T157-L252 HydrophobicContact CG2-CG 4.22Å; P159-L252 HydrophobicContact CB-CD2 3.93Å; V216-L252 CarbonylContact C-O 3.54Å; V216-L252 VanDerWaalsContact CA-O 3.3Å; V216-L252 WeakPolarHBondContact CA-O 3.47Å; E217-L252 HydrophobicContact CB-CB 4.09Å; E217-L252 PolarHBondContact N-O 3.15Å; T250-L252 HydrophobicContact CG2-CD2 4.25Å
253Y97.7Very high94.9Very high2 Ų253.9 Ų53.91%0.00833%0.331CS..EExtended strand (participates in β ladder)trans-105143-178.8-70.5-78.6000112.6C158 I160 A176 I214 R215 V216 V235 I251 I274C158-Y253 WeakPolarHBondContact CA-O 3.21Å; C158-Y253 VanDerWaalsContact CB-O 3.3Å; C158-Y253 WeakPolarHBondContact CB-O 3.35Å; C158-Y253 PolarHBondContact N-O 2.65Å; C158-Y253 PolarHBondContact O-N 3.37Å; I160-Y253 HydrophobicContact CB-CD2 3.86Å; I160-Y253 HydrophobicContact CB-CE2 4.05Å; I160-Y253 HydrophobicContact CD1-CD2 3.64Å; I160-Y253 HydrophobicContact CD1-CE2 4.2Å; I160-Y253 HydrophobicContact CD1-CG 4.38Å; I160-Y253 HydrophobicContact CG1-CD2 3.81Å; I160-Y253 HydrophobicContact CG1-CE2 4.43Å; A176-Y253 HydrophobicContact CB-CE1 3.65Å; I214-Y253 HydrophobicContact CG2-CD1 3.65Å; I214-Y253 HydrophobicContact CG2-CE1 4.25Å; R215-Y253 CarbonylContact O-C 3.45Å; R215-Y253 WeakPolarHBondContact O-CA 3.45Å; V216-Y253 HydrophobicContact CG2-CD1 3.7Å; V216-Y253 HydrophobicContact CG2-CE1 3.6Å; V235-Y253 HydrophobicContact CG1-CE1 4.14Å; I251-Y253 HydrophobicContact CB-CD2 4.17Å; I251-Y253 HydrophobicContact CB-CE2 3.62Å; I251-Y253 HydrophobicContact CG2-CD1 4.4Å; I251-Y253 HydrophobicContact CG2-CD2 3.92Å; I251-Y253 HydrophobicContact CG2-CE1 3.98Å; I251-Y253 HydrophobicContact CG2-CE2 3.48Å; I251-Y253 VanDerWaalsContact CG2-CE2 3.48Å; I251-Y253 HydrophobicContact CG2-CG 4.39Å; Y253-I274 HydrophobicContact CE2-CD1 4.35Å
254N96Very high95Very high11 Ų1147 Ų476%0.05930%0.303CS..EExtended strand (participates in β ladder)trans-127.2133179.6-56.555.6000108.9A155 T157 R215 E217 M256A155-N254 PolarHBondContact O-ND2 2.76Å; T157-N254 PolarHBondContact N-ND2 2.8Å; R215-N254 PolarHBondContact N-O 3.15Å; R215-N254 PolarHBondContact O-N 3.08Å; E217-N254 VanDerWaalsContact CB-OD1 3.31Å; E217-N254 WeakPolarHBondContact CB-OD1 3.42Å; E217-N254 PolarHBondContact OE2-ND2 2.79Å; E217-N254 PolarHBondContact OE2-OD1 3.24Å; N254-M256 HydrophobicContact CB-SD 3.74Å
255F97.3Very high95.1Very high2 Ų239.4 Ų39.41%0.00926%0.256CS..EExtended strand (participates in β ladder)trans-108.8114.2-176-65.4-94.1000111L150 I154 A155 C158 L213 I214 C257 V272 I293L150-F255 HydrophobicContact CD2-CE2 3.85Å; L150-F255 HydrophobicContact CD2-CZ 4.1Å; I154-F255 WeakPolarHBondContact CA-O 3.4Å; A155-F255 PolarHBondContact N-O 3.17Å; C158-F255 HydrophobicContact CB-CE2 4.36Å; L213-F255 WeakPolarHBondContact O-CA 3.44Å; I214-F255 HydrophobicContact CD1-CE1 3.9Å; I214-F255 HydrophobicContact CG1-CD1 4.02Å; I214-F255 HydrophobicContact CG1-CE1 3.83Å; F255-C257 PolarHBondContact O-N 3.22Å; F255-V272 HydrophobicContact CE1-CG2 3.87Å; F255-V272 HydrophobicContact CZ-CG2 4.28Å; F255-I293 HydrophobicContact CB-CD1 4.26Å; F255-I293 HydrophobicContact CB-CG1 3.46Å; F255-I293 VanDerWaalsContact CB-CG1 3.46Å; F255-I293 HydrophobicContact CB-CG2 4.45Å; F255-I293 HydrophobicContact CD1-CD1 4.2Å; F255-I293 HydrophobicContact CD1-CG1 4.31Å; F255-I293 HydrophobicContact CG-CD1 4.44Å; F255-I293 HydrophobicContact CG-CG1 4.07Å
256M95.8Very high95.3Very high0 Ų039.2 Ų39.20%024%0.236CC..  trans-96.713.9-156.2-49.8-53.7-67.700115.2A155 R192 F202 L213 R215 N254A155-M256 HydrophobicContact CB-CE 3.8Å; A155-M256 HydrophobicContact CB-SD 4.11Å; R192-M256 PolarHBondContact NE-O 2.87Å; R192-M256 PolarHBondContact NH2-O 2.88Å; F202-M256 HydrophobicContact CB-CE 4.01Å; L213-M256 PolarHBondContact O-N 3.07Å; R215-M256 HydrophobicContact CB-CG 4.25Å; R215-M256 HydrophobicContact CB-SD 4.36Å; R215-M256 HydrophobicContact CG-CG 3.75Å; R215-M256 HydrophobicContact CG-SD 4.36Å; N254-M256 HydrophobicContact CB-SD 3.74Å
257C96.3Very high95.4Very high0 Ų045.6 Ų45.60%025%0.253CS..SBendtrans-153.1142175.2-172.10000110.4R192 H196 L213 F255 C261 M265 I293R192-C257 HydrophobicContact CB-CB 4.15Å; R192-C257 HydrophobicContact CG-CB 4.02Å; H196-C257 PolarHBondContact ND1-SG 2.69Å; H196-C257 VanDerWaalsContact ND1-SG 3.4Å; L213-C257 HydrophobicContact CD1-CB 3.68Å; F255-C257 PolarHBondContact O-N 3.22Å; C257-C261 VanDerWaalsContact SG-CB 3.51Å; C257-C261 VanDerWaalsContact SG-SG 3.69Å; C257-M265 HydrophobicContact CB-CE 4.15Å; C257-M265 WeakPolarHBondContact O-CE 3.28Å; C257-I293 WeakPolarHBondContact O-CB 3.34Å; C257-I293 WeakPolarHBondContact O-CG1 3.24Å; C257-I293 WeakPolarHBondContact O-CG2 3.38Å
258N97.1Very high95.6Very high33 Ų3343 Ų4318%0.17624%0.238CC..  trans-72.4145.3175.9-75.1-66.3000111.4S260 C261N258-S260 PolarHBondContact O-N 2.7Å; N258-S260 VanDerWaalsContact O-N 3.07Å; N258-C261 WeakPolarHBondContact O-CB 3.46Å; N258-C261 PolarHBondContact O-N 2.93Å; N258-C261 VanDerWaalsContact O-N 3.08Å
259S96.9Very high95.7Very high19 Ų1942.1 Ų42.113%0.13324%0.238CC..THydrogen-bonded Turntrans-56.5-30.8179.4-43.80000112.4C261 R267 I293S259-C261 VanDerWaalsContact C-N 3.35Å; S259-C261 PolarHBondContact O-N 2.98Å; S259-R267 WeakPolarHBondContact O-CA 3.39Å; S259-R267 PolarHBondContact O-N 3.48Å; S259-I293 WeakPolarHBondContact CB-O 3.44Å; S259-I293 PolarHBondContact N-O 2.89Å; S259-I293 PolarHBondContact OG-N 2.9Å; S259-I293 PolarHBondContact OG-O 2.77Å
260S96.6Very high95.8Very high61 Ų6141 Ų4143%0.42723%0.231SC..THydrogen-bonded Turntrans-84.83.9-177.458.20000115.2N258 V262N258-S260 PolarHBondContact O-N 2.7Å; N258-S260 VanDerWaalsContact O-N 3.07Å; S260-V262 PolarHBondContact O-N 3.3Å
261C95.9Very high95.9Very high20 Ų2038.7 Ų38.714%0.13522%0.216CC..  trans-72.8119.1-177.1-75.60000112.8C193 H196 C257 N258 S259 G264 N266C193-C261 HydrophobicContact CB-CB 3.99Å; H196-C261 PolarHBondContact CE1-SG 3.1Å; C257-C261 VanDerWaalsContact SG-CB 3.51Å; C257-C261 VanDerWaalsContact SG-SG 3.69Å; N258-C261 WeakPolarHBondContact O-CB 3.46Å; N258-C261 PolarHBondContact O-N 2.93Å; N258-C261 VanDerWaalsContact O-N 3.08Å; S259-C261 VanDerWaalsContact C-N 3.35Å; S259-C261 PolarHBondContact O-N 2.98Å; C261-G264 CarbonylContact O-C 3.6Å; C261-G264 PolarHBondContact O-N 3.18Å; C261-N266 VanDerWaalsContact O-CA 3.28Å; C261-N266 WeakPolarHBondContact O-CA 3.48Å; C261-N266 PolarHBondContact O-N 2.78Å
262V94.1Very high95.9Very high114 Ų11438.1 Ų38.169%0.69121%0.213SC*.THydrogen-bonded Turntrans-59.2143.4167-174.80000109.3C193 S260 G264C193-V262 WeakPolarHBondContact CB-O 3.38Å; S260-V262 PolarHBondContact O-N 3.3Å; V262-G264 PolarHBondContact O-N 3.14Å
263G89.2Confident95.9Very high56 Ų5635.4 Ų35.458%0.57720%0.199SC*.THydrogen-bonded Turntrans73.2-1.7-175.100000115.2P194P194-G263 WeakPolarHBondContact CD-O 3.37Å
264G91.6Very high96Very high14 Ų1435.3 Ų35.314%0.14420%0.199CC..THydrogen-bonded Turntrans-124.3-129.9168.400000109.8C261 V262 N266C261-G264 CarbonylContact O-C 3.6Å; C261-G264 PolarHBondContact O-N 3.18Å; V262-G264 PolarHBondContact O-N 3.14Å; G264-N266 PolarHBondContact O-N 2.9Å
265M95.2Very high96.1Very high0 Ų035.3 Ų35.30%020%0.199CC..THydrogen-bonded Turntrans-54.8-25.9178.4-73.7179.3-80.100115.2Y180 V190 L213 C257 R267 R268 I270 I293Y180-M265 HydrophobicContact CE1-CB 4.42Å; Y180-M265 HydrophobicContact CE1-CG 4.28Å; V190-M265 HydrophobicContact CG1-CG 3.96Å; V190-M265 HydrophobicContact CG1-SD 4.43Å; L213-M265 HydrophobicContact CD1-CE 3.7Å; L213-M265 HydrophobicContact CD2-CE 3.9Å; L213-M265 HydrophobicContact CD2-CG 4.49Å; L213-M265 HydrophobicContact CD2-SD 3.75Å; L213-M265 HydrophobicContact CG-CE 4.49Å; C257-M265 HydrophobicContact CB-CE 4.15Å; C257-M265 WeakPolarHBondContact O-CE 3.28Å; M265-R267 VanDerWaalsContact C-N 3.34Å; M265-R267 PolarHBondContact O-N 2.92Å; M265-R267 VanDerWaalsContact O-N 3.14Å; M265-R268 WeakPolarHBondContact O-CB 3.45Å; M265-R268 VanDerWaalsContact O-CG 3.3Å; M265-R268 WeakPolarHBondContact O-CG 3.41Å; M265-R268 PolarHBondContact O-N 2.94Å; M265-I270 HydrophobicContact CG-CG2 4.19Å; M265-I270 HydrophobicContact SD-CD1 3.91Å; M265-I270 HydrophobicContact SD-CG1 4.29Å; M265-I270 HydrophobicContact SD-CG2 3.94Å; M265-I293 HydrophobicContact CE-CD1 3.99Å; M265-I293 HydrophobicContact CE-CG1 4.47Å; M265-I293 HydrophobicContact SD-CD1 4.23Å
266N95.4Very high96.1Very high80 Ų8035.2 Ų35.243%0.42820%0.199SC..THydrogen-bonded Turntrans43.850.6173.2-163.423.7000115.1C261 G264 R268C261-N266 VanDerWaalsContact O-CA 3.28Å; C261-N266 WeakPolarHBondContact O-CA 3.48Å; C261-N266 PolarHBondContact O-N 2.78Å; G264-N266 PolarHBondContact O-N 2.9Å; N266-R268 PolarHBondContact O-N 3.37Å; N266-R268 VanDerWaalsContact O-N 3.13Å
267R95.2Very high96.2Very high197 Ų19735.8 Ų35.874%0.74320%0.202SC*.THydrogen-bonded Turntrans64.34.6-178.3-55.8175.4178.2-103.91.7115.8S259 M265S259-R267 WeakPolarHBondContact O-CA 3.39Å; S259-R267 PolarHBondContact O-N 3.48Å; M265-R267 VanDerWaalsContact C-N 3.34Å; M265-R267 PolarHBondContact O-N 2.92Å; M265-R267 VanDerWaalsContact O-N 3.14Å
268R96.3Very high96.1Very high71 Ų7136.8 Ų36.827%0.26821%0.208SC..  trans-72.1126.7172.5-57.1165.6166.4-161.5-6.3109Y180 H185 D188 M265 N266Y180-R268 HydrophobicContact CD1-CB 3.55Å; Y180-R268 HydrophobicContact CD1-CG 4.48Å; Y180-R268 HydrophobicContact CE1-CB 3.68Å; Y180-R268 HydrophobicContact CE1-CG 4.41Å; H185-R268 WeakPolarHBondContact CD2-CD 3.47Å; H185-R268 VanDerWaalsContact CD2-CZ 3.45Å; H185-R268 PolarHBondContact CD2-NE 3.16Å; H185-R268 VanDerWaalsContact CE1-CZ 3.42Å; H185-R268 PolarHBondContact CE1-NH2 2.89Å; H185-R268 PolarHBondContact ND1-NH2 3.15Å; H185-R268 PolarHBondContact NE2-NE 3.4Å; H185-R268 VanDerWaalsContact NE2-NE 3.12Å; H185-R268 PolarHBondContact NE2-NH2 2.68Å; D188-R268 IonicContact OD2-CZ 3.22Å; D188-R268 IonicContact OD2-NH1 2.7Å; D188-R268 PolarHBondContact OD2-NH1 2.85Å; D188-R268 IonicContact OD2-NH2 3.16Å; M265-R268 WeakPolarHBondContact O-CB 3.45Å; M265-R268 VanDerWaalsContact O-CG 3.3Å; M265-R268 WeakPolarHBondContact O-CG 3.41Å; M265-R268 PolarHBondContact O-N 2.94Å; N266-R268 PolarHBondContact O-N 3.37Å; N266-R268 VanDerWaalsContact O-N 3.13Å
269P96.4Very high95.8Very high42 Ų4246 Ų4627%0.27324%0.24SC..  trans-68.6143.2177.526.9-32.8000111K181K181-P269 HydrophobicContact CB-CB 4.27Å; K181-P269 HydrophobicContact CB-CG 4.22Å; K181-P269 WeakPolarHBondContact CB-O 3.31Å; K181-P269 PolarHBondContact N-O 3.36Å
270I97.9Very high95.4Very high1 Ų152.2 Ų52.21%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-112.6149177.261.3164.4000111.4P178 V179 Y180 V190 L213 M265 E290 G291 I293P178-I270 HydrophobicContact CB-CD1 4.32Å; V179-I270 CarbonylContact O-C 3.57Å; V179-I270 WeakPolarHBondContact O-CA 3.21Å; V179-I270 WeakPolarHBondContact O-CB 3.49Å; Y180-I270 HydrophobicContact CD1-CG2 3.77Å; Y180-I270 HydrophobicContact CE1-CG2 4Å; V190-I270 HydrophobicContact CG1-CG2 4.02Å; V190-I270 HydrophobicContact CG2-CG2 3.96Å; L213-I270 HydrophobicContact CD2-CD1 3.86Å; M265-I270 HydrophobicContact CG-CG2 4.19Å; M265-I270 HydrophobicContact SD-CD1 3.91Å; M265-I270 HydrophobicContact SD-CG1 4.29Å; M265-I270 HydrophobicContact SD-CG2 3.94Å; I270-E290 CarbonylContact O-C 3.58Å; I270-E290 WeakPolarHBondContact O-CA 3.49Å; I270-E290 WeakPolarHBondContact O-CG 3.38Å; I270-G291 WeakPolarHBondContact CG1-O 3.44Å; I270-G291 PolarHBondContact O-N 2.83Å; I270-I293 HydrophobicContact CD1-CD1 4.14Å
271L97.8Very high94.9Very high14 Ų1451.3 Ų51.37%0.07327%0.272CS..EExtended strand (participates in β ladder)trans-96.7139.3157.8-61175.4000108.2N117 P178 V179 K181 F289 E290N117-L271 HydrophobicContact CB-CD1 3.8Å; N117-L271 WeakPolarHBondContact ND2-CD1 3.46Å; P178-L271 WeakPolarHBondContact CA-O 3.47Å; V179-L271 HydrophobicContact CG2-CB 4.01Å; V179-L271 PolarHBondContact N-O 3.4Å; V179-L271 PolarHBondContact O-N 2.61Å; K181-L271 HydrophobicContact CB-CD2 4.32Å; K181-L271 HydrophobicContact CB-CG 3.93Å; K181-L271 HydrophobicContact CD-CD2 3.94Å; K181-L271 HydrophobicContact CD-CG 4.45Å; K181-L271 HydrophobicContact CG-CD1 4.34Å; K181-L271 HydrophobicContact CG-CD2 4.02Å; K181-L271 HydrophobicContact CG-CG 4Å; L271-F289 CarbonylContact C-O 3.59Å; L271-F289 WeakPolarHBondContact CA-O 3.36Å; L271-E290 HydrophobicContact CD2-CB 4.23Å
272V98.3Very high94.8Very high2 Ų256.5 Ų56.51%0.01230%0.295CS..EExtended strand (participates in β ladder)trans-96.1120.1161.2-176.90000106.5I214 F255 I274 S288 F289I214-V272 HydrophobicContact CD1-CG1 3.88Å; I214-V272 HydrophobicContact CD1-CG2 4.2Å; F255-V272 HydrophobicContact CE1-CG2 3.87Å; F255-V272 HydrophobicContact CZ-CG2 4.28Å; V272-I274 HydrophobicContact CG1-CG1 4.16Å; V272-S288 WeakPolarHBondContact O-CA 3.33Å; V272-F289 HydrophobicContact CB-CD2 4.28Å; V272-F289 HydrophobicContact CB-CE1 4.03Å; V272-F289 HydrophobicContact CB-CE2 3.74Å; V272-F289 HydrophobicContact CB-CZ 3.6Å; V272-F289 HydrophobicContact CG1-CE1 4.12Å; V272-F289 HydrophobicContact CG1-CE2 4.37Å; V272-F289 HydrophobicContact CG1-CZ 3.76Å; V272-F289 HydrophobicContact CG2-CE2 3.86Å; V272-F289 HydrophobicContact CG2-CZ 4.1Å; V272-F289 PolarHBondContact N-O 2.93Å; V272-F289 PolarHBondContact O-N 2.89Å; V272-F289 VanDerWaalsContact O-N 3.15Å
273I97.9Very high94.9Very high4 Ų453.8 Ų53.82%0.02128%0.278CS..EExtended strand (participates in β ladder)trans-95.2125.8170.8-56.2174.7000106.6P115 N117 A176 M177 V179 T275 R286P115-I273 HydrophobicContact CB-CD1 4.38Å; P115-I273 HydrophobicContact CG-CD1 4.33Å; N117-I273 HydrophobicContact CB-CD1 4.23Å; A176-I273 WeakPolarHBondContact CA-O 3.38Å; M177-I273 PolarHBondContact N-O 2.94Å; M177-I273 PolarHBondContact O-N 3.41Å; V179-I273 HydrophobicContact CG1-CD1 4.3Å; V179-I273 HydrophobicContact CG2-CD1 3.9Å; V179-I273 HydrophobicContact CG2-CG1 4.26Å; I273-T275 HydrophobicContact CG2-CG2 4.38Å; I273-R286 HydrophobicContact CG2-CG 3.9Å
274I98.3Very high95.3Very high0 Ų052 Ų520%026%0.255CS..EExtended strand (participates in β ladder)trans-110.6126.2168.4-54.4-172000108.5F126 V128 I160 I162 I174 R175 A176 Y253 V272 R286 R287 F289F126-I274 HydrophobicContact CE1-CG2 4.39Å; F126-I274 HydrophobicContact CZ-CG2 3.88Å; V128-I274 HydrophobicContact CG1-CD1 4.21Å; V128-I274 HydrophobicContact CG2-CB 4.22Å; V128-I274 HydrophobicContact CG2-CD1 4.3Å; V128-I274 HydrophobicContact CG2-CG2 4.37Å; I160-I274 HydrophobicContact CG2-CD1 4.21Å; I162-I274 HydrophobicContact CD1-CG2 4.38Å; I174-I274 HydrophobicContact CG2-CG2 3.59Å; R175-I274 CarbonylContact O-C 3.55Å; R175-I274 VanDerWaalsContact O-CA 3.25Å; R175-I274 WeakPolarHBondContact O-CA 3.33Å; A176-I274 HydrophobicContact CB-CG1 4.33Å; Y253-I274 HydrophobicContact CE2-CD1 4.35Å; V272-I274 HydrophobicContact CG1-CG1 4.16Å; I274-R286 WeakPolarHBondContact O-CA 3.21Å; I274-R287 PolarHBondContact N-O 3.08Å; I274-R287 PolarHBondContact O-N 3.12Å; I274-F289 HydrophobicContact CD1-CE1 3.81Å; I274-F289 HydrophobicContact CD1-CZ 4.37Å; I274-F289 HydrophobicContact CG1-CE1 4.11Å
275T98.2Very high95.6Very high12 Ų1251.3 Ų51.37%0.07425%0.248CC..EExtended strand (participates in β ladder)trans-112.8140.9174.338.40000111.6I174 R175 I273 E277 V283 G285 R286I174-T275 CarbonylContact C-O 3.55Å; I174-T275 WeakPolarHBondContact CA-O 3.39Å; R175-T275 PolarHBondContact N-O 2.79Å; R175-T275 PolarHBondContact O-N 2.96Å; I273-T275 HydrophobicContact CG2-CG2 4.38Å; T275-E277 WeakPolarHBondContact CB-OE2 3.45Å; T275-E277 PolarHBondContact OG1-OE2 3.09Å; T275-V283 HydrophobicContact CG2-CG1 3.78Å; T275-V283 HydrophobicContact CG2-CG2 4.06Å; T275-G285 CarbonylContact C-O 3.27Å; T275-G285 WeakPolarHBondContact CA-O 3.45Å; T275-R286 HydrophobicContact CG2-CB 4.04Å; T275-R286 HydrophobicContact CG2-CG 3.85Å
276L98.2Very high95.7Very high0 Ų053.3 Ų53.30%026%0.256CS..EExtended strand (participates in β ladder)trans-92123.1157.4-176.776.2000106.4H124 F126 V164 P168 T172 A173 I174 Y239 V283 L284 G285H124-L276 HydrophobicContact CB-CD2 4.11Å; F126-L276 HydrophobicContact CB-CD2 4.3Å; F126-L276 HydrophobicContact CD1-CB 4.44Å; F126-L276 HydrophobicContact CD2-CB 3.57Å; F126-L276 HydrophobicContact CD2-CD1 4.28Å; F126-L276 HydrophobicContact CD2-CD2 3.98Å; F126-L276 HydrophobicContact CD2-CG 4.16Å; F126-L276 HydrophobicContact CE2-CB 3.74Å; F126-L276 HydrophobicContact CE2-CD1 4.32Å; F126-L276 HydrophobicContact CE2-CG 4.49Å; F126-L276 HydrophobicContact CG-CB 3.93Å; F126-L276 HydrophobicContact CG-CD2 4.41Å; F126-L276 HydrophobicContact CZ-CB 4.26Å; V164-L276 HydrophobicContact CG1-CD2 4.14Å; P168-L276 HydrophobicContact CB-CD2 4.33Å; P168-L276 HydrophobicContact CG-CD1 4.4Å; T172-L276 HydrophobicContact CG2-CD1 3.39Å; T172-L276 HydrophobicContact CG2-CG 3.72Å; A173-L276 WeakPolarHBondContact O-CA 3.39Å; I174-L276 HydrophobicContact CD1-CB 4.36Å; I174-L276 HydrophobicContact CD1-CD1 3.48Å; I174-L276 VanDerWaalsContact CD1-CD1 3.48Å; Y239-L276 HydrophobicContact CD2-CD1 4.14Å; Y239-L276 HydrophobicContact CG-CD1 4.45Å; L276-V283 CarbonylContact O-C 3.55Å; L276-L284 HydrophobicContact CD2-CB 3.97Å; L276-L284 HydrophobicContact CG-CB 4.12Å; L276-L284 PolarHBondContact O-N 2.62Å; L276-G285 PolarHBondContact N-O 3.49Å; L276-G285 PolarHBondContact O-N 2.95Å; L276-G285 VanDerWaalsContact O-N 3.12Å
277E97.1Very high95.9Very high12 Ų1251.3 Ų51.36%0.05624%0.242CC..EExtended strand (participates in β ladder)trans-144.5146.6-170.857.5-171.3-119.800113.1T172 A173 R175 T275 Q282T172-E277 CarbonylContact C-O 3.57Å; T172-E277 WeakPolarHBondContact CA-O 3.34Å; T172-E277 WeakPolarHBondContact CG2-O 3.47Å; A173-E277 PolarHBondContact N-O 3.11Å; A173-E277 PolarHBondContact O-N 2.89Å; R175-E277 VanDerWaalsContact CB-OE2 3.28Å; R175-E277 WeakPolarHBondContact CB-OE2 3.32Å; R175-E277 IonicContact CZ-OE1 3.33Å; R175-E277 IonicContact NE-OE1 2.7Å; R175-E277 PolarHBondContact NE-OE1 3.25Å; R175-E277 IonicContact NE-OE2 2.74Å; R175-E277 PolarHBondContact NE-OE2 3.06Å; R175-E277 IonicContact NH2-OE1 3Å; R175-E277 PolarHBondContact NH2-OE1 3.33Å; T275-E277 WeakPolarHBondContact CB-OE2 3.45Å; T275-E277 PolarHBondContact OG1-OE2 3.09Å; E277-Q282 CarbonylContact C-O 3.51Å; E277-Q282 VanDerWaalsContact CA-O 3.23Å; E277-Q282 WeakPolarHBondContact CA-O 3.18Å
278T95.7Very high96Very high21 Ų2143.1 Ų43.113%0.12922%0.215CC..  trans-68.8164.8171.769.50000110.9D280 G281 Q282 L284T278-D280 PolarHBondContact O-N 3.26Å; T278-D280 VanDerWaalsContact O-N 3.08Å; T278-D280 PolarHBondContact OG1-N 2.96Å; T278-G281 PolarHBondContact O-N 3.22Å; T278-Q282 HydrophobicContact CG2-CB 4.06Å; T278-Q282 PolarHBondContact N-O 3.37Å; T278-Q282 WeakPolarHBondContact OG1-CB 3.45Å; T278-Q282 PolarHBondContact OG1-N 3.04Å; T278-Q282 VanDerWaalsContact OG1-N 3.15Å; T278-L284 HydrophobicContact CG2-CD1 3.92Å; T278-L284 HydrophobicContact CG2-CD2 3.97Å; T278-L284 HydrophobicContact CG2-CG 3.94Å
279R89.6Confident96Very high226 Ų22640 Ų4085%0.85320%0.203SC*.THydrogen-bonded Turntrans-51.1-30.1170.4-174178.7-178.8-174.60.3113.4G281R279-G281 VanDerWaalsContact C-N 3.3Å
280D88.3Confident96.1Very high149 Ų14939.1 Ų39.180%0.79720%0.196SC*.THydrogen-bonded Turntrans-88.67-178.8-38.3-68.1000112.9T278T278-D280 PolarHBondContact O-N 3.26Å; T278-D280 VanDerWaalsContact O-N 3.08Å; T278-D280 PolarHBondContact OG1-N 2.96Å
281G86.9Confident96.1Very high43 Ų4339.3 Ų39.344%0.44320%0.198SC..  trans82.18.7178.300000115.2T278 R279 V283T278-G281 PolarHBondContact O-N 3.22Å; R279-G281 VanDerWaalsContact C-N 3.3Å; G281-V283 PolarHBondContact O-N 3.49Å
282Q93.8Very high96.1Very high129 Ų12941.8 Ų41.860%0.60321%0.206SC*.  trans-73.5116.9177.3-171-175.138.700110.2E277 T278 L284E277-Q282 CarbonylContact C-O 3.51Å; E277-Q282 VanDerWaalsContact CA-O 3.23Å; E277-Q282 WeakPolarHBondContact CA-O 3.18Å; T278-Q282 HydrophobicContact CG2-CB 4.06Å; T278-Q282 PolarHBondContact N-O 3.37Å; T278-Q282 WeakPolarHBondContact OG1-CB 3.45Å; T278-Q282 PolarHBondContact OG1-N 3.04Å; T278-Q282 VanDerWaalsContact OG1-N 3.15Å; Q282-L284 PolarHBondContact O-N 3.48Å; Q282-L284 VanDerWaalsContact O-N 3.14Å
283V96.4Very high96.1Very high57 Ų5741.8 Ų41.835%0.34521%0.206SC..EExtended strand (participates in β ladder)trans-71.9106.4179.7179.80000110.9T275 L276 G281 G285 R286T275-V283 HydrophobicContact CG2-CG1 3.78Å; T275-V283 HydrophobicContact CG2-CG2 4.06Å; L276-V283 CarbonylContact O-C 3.55Å; G281-V283 PolarHBondContact O-N 3.49Å; V283-G285 WeakPolarHBondContact CG1-O 3.4Å; V283-R286 HydrophobicContact CG1-CB 4.18Å
284L97.1Very high96.1Very high17 Ų1742.1 Ų42.19%0.08921%0.209CC..EExtended strand (participates in β ladder)trans-83.3-17.6174.6-60.2-177.1000113.2G122 P123 P168 P169 T172 L276 T278 Q282G122-L284 WeakPolarHBondContact CA-O 3.35Å; P123-L284 WeakPolarHBondContact CD-O 3.47Å; P168-L284 HydrophobicContact CB-CD1 4.33Å; P169-L284 HydrophobicContact CG-CD1 4.45Å; T172-L284 HydrophobicContact CG2-CD1 4.14Å; L276-L284 HydrophobicContact CD2-CB 3.97Å; L276-L284 HydrophobicContact CG-CB 4.12Å; L276-L284 PolarHBondContact O-N 2.62Å; T278-L284 HydrophobicContact CG2-CD1 3.92Å; T278-L284 HydrophobicContact CG2-CD2 3.97Å; T278-L284 HydrophobicContact CG2-CG 3.94Å; Q282-L284 PolarHBondContact O-N 3.48Å; Q282-L284 VanDerWaalsContact O-N 3.14Å
285G97.8Very high96Very high0 Ų045.4 Ų45.40%024%0.235CC..EExtended strand (participates in β ladder)trans-172.2154.2-179.200000111.7T275 L276 V283T275-G285 CarbonylContact C-O 3.27Å; T275-G285 WeakPolarHBondContact CA-O 3.45Å; L276-G285 PolarHBondContact N-O 3.49Å; L276-G285 PolarHBondContact O-N 2.95Å; L276-G285 VanDerWaalsContact O-N 3.12Å; V283-G285 WeakPolarHBondContact CG1-O 3.4Å
286R98.3Very high95.9Very high42 Ų4246.3 Ų46.316%0.15824%0.242CC..EExtended strand (participates in β ladder)trans-154.9139.3-176-175.9160.937.2108.78.3112.9S116 T118 Y120 I273 I274 T275 V283S116-R286 PolarHBondContact O-NH1 3.37Å; S116-R286 PolarHBondContact OG-NH1 3.33Å; T118-R286 VanDerWaalsContact O-CZ 3.28Å; T118-R286 PolarHBondContact O-NH1 2.95Å; Y120-R286 CarbonylContact C-O 3.56Å; Y120-R286 PolarHBondContact N-O 3.37Å; Y120-R286 PolarHBondContact O-N 3.42Å; I273-R286 HydrophobicContact CG2-CG 3.9Å; I274-R286 WeakPolarHBondContact O-CA 3.21Å; T275-R286 HydrophobicContact CG2-CB 4.04Å; T275-R286 HydrophobicContact CG2-CG 3.85Å; V283-R286 HydrophobicContact CG1-CB 4.18Å
287R98Very high95.9Very high39 Ų3946.3 Ų46.315%0.14724%0.242CC..EExtended strand (participates in β ladder)trans-138.5150.5171.9-74.9-68.3-177.9-80.5-2.3110D119 Y120 F126 V128 I274D119-R287 WeakPolarHBondContact OD1-CA 3.41Å; Y120-R287 VanDerWaalsContact C-NH1 3.33Å; Y120-R287 PolarHBondContact O-NH1 2.94Å; F126-R287 HydrophobicContact CD1-CG 4.15Å; F126-R287 HydrophobicContact CE1-CB 4.31Å; F126-R287 HydrophobicContact CE1-CG 4.25Å; F126-R287 PolarHBondContact O-NE 3.4Å; F126-R287 PolarHBondContact O-NH1 3.41Å; F126-R287 VanDerWaalsContact O-NH1 3.12Å; F126-R287 PolarHBondContact O-NH2 3.24Å; V128-R287 HydrophobicContact CB-CB 3.99Å; V128-R287 HydrophobicContact CB-CG 4.19Å; V128-R287 HydrophobicContact CG2-CB 3.7Å; V128-R287 HydrophobicContact CG2-CG 4.02Å; I274-R287 PolarHBondContact N-O 3.08Å; I274-R287 PolarHBondContact O-N 3.12Å
288S97.3Very high95.9Very high24 Ų2445.9 Ų45.917%0.16824%0.241CC..EExtended strand (participates in β ladder)trans-130.9148.517570.30000112.3N117 D119 V272N117-S288 PolarHBondContact O-OG 2.85Å; N117-S288 VanDerWaalsContact O-OG 3.05Å; D119-S288 PolarHBondContact OD1-N 3.13Å; D119-S288 PolarHBondContact OD1-OG 3.21Å; V272-S288 WeakPolarHBondContact O-CA 3.33Å
289F97.8Very high95.9Very high6 Ų652.1 Ų52.13%0.02626%0.262CS..EExtended strand (participates in β ladder)trans-147.5154.9172.158.2-89.9000110.5V128 F130 Y143 K148 L150 I160 L271 V272 I274V128-F289 HydrophobicContact CG1-CE1 4.29Å; F130-F289 HydrophobicContact CE1-CE2 4.47Å; F130-F289 HydrophobicContact CE1-CZ 4.39Å; F130-F289 HydrophobicContact CE2-CD1 4.39Å; F130-F289 AromaticContact CZ-CD1 3.82Å; F130-F289 HydrophobicContact CZ-CD1 3.82Å; F130-F289 HydrophobicContact CZ-CD2 4.06Å; F130-F289 AromaticContact CZ-CE1 3.83Å; F130-F289 HydrophobicContact CZ-CE1 3.83Å; F130-F289 HydrophobicContact CZ-CE2 4.07Å; F130-F289 AromaticContact CZ-CG 3.94Å; F130-F289 HydrophobicContact CZ-CG 3.94Å; F130-F289 AromaticContact CZ-CZ 3.95Å; F130-F289 HydrophobicContact CZ-CZ 3.95Å; Y143-F289 HydrophobicContact CE2-CB 4.35Å; K148-F289 WeakPolarHBondContact O-CA 3.22Å; K148-F289 WeakPolarHBondContact O-CB 3.45Å; L150-F289 HydrophobicContact CB-CD2 3.82Å; L150-F289 HydrophobicContact CB-CE2 3.82Å; L150-F289 HydrophobicContact CD2-CE2 3.8Å; L150-F289 HydrophobicContact CD2-CZ 4.45Å; L150-F289 HydrophobicContact CG-CE2 4.47Å; I160-F289 HydrophobicContact CD1-CE1 4.34Å; I160-F289 HydrophobicContact CD1-CZ 3.69Å; L271-F289 CarbonylContact C-O 3.59Å; L271-F289 WeakPolarHBondContact CA-O 3.36Å; V272-F289 HydrophobicContact CB-CD2 4.28Å; V272-F289 HydrophobicContact CB-CE1 4.03Å; V272-F289 HydrophobicContact CB-CE2 3.74Å; V272-F289 HydrophobicContact CB-CZ 3.6Å; V272-F289 HydrophobicContact CG1-CE1 4.12Å; V272-F289 HydrophobicContact CG1-CE2 4.37Å; V272-F289 HydrophobicContact CG1-CZ 3.76Å; V272-F289 HydrophobicContact CG2-CE2 3.86Å; V272-F289 HydrophobicContact CG2-CZ 4.1Å; V272-F289 PolarHBondContact N-O 2.93Å; V272-F289 PolarHBondContact O-N 2.89Å; V272-F289 VanDerWaalsContact O-N 3.15Å; I274-F289 HydrophobicContact CD1-CE1 3.81Å; I274-F289 HydrophobicContact CD1-CZ 4.37Å; I274-F289 HydrophobicContact CG1-CE1 4.11Å
290E97.8Very high96.3Very high24 Ų2442 Ų4211%0.11223%0.225CC..EExtended strand (participates in β ladder)trans-78.1136.9175.6-173.8176.8138.500110.8K148 K149 L150 K181 I270 L271K148-E290 PolarHBondContact O-N 2.83Å; K149-E290 CarbonylContact C-O 3.6Å; K149-E290 WeakPolarHBondContact CA-O 3.03Å; K149-E290 HydrophobicContact CB-CB 4.13Å; K149-E290 HydrophobicContact CD-CB 4.09Å; K149-E290 HydrophobicContact CD-CG 3.94Å; K149-E290 WeakPolarHBondContact CD-OE1 3.35Å; K149-E290 WeakPolarHBondContact CE-OE1 3.43Å; K149-E290 HydrophobicContact CG-CB 3.87Å; K149-E290 HydrophobicContact CG-CG 4.1Å; K149-E290 IonicContact NZ-OE1 3.68Å; K149-E290 PolarHBondContact NZ-OE1 2.94Å; L150-E290 PolarHBondContact N-O 2.91Å; K181-E290 HydrophobicContact CD-CG 4.31Å; K181-E290 WeakPolarHBondContact CD-OE2 3.44Å; K181-E290 WeakPolarHBondContact CE-OE2 3.43Å; K181-E290 IonicContact NZ-OE2 2.68Å; K181-E290 PolarHBondContact NZ-OE2 2.96Å; I270-E290 CarbonylContact O-C 3.58Å; I270-E290 WeakPolarHBondContact O-CA 3.49Å; I270-E290 WeakPolarHBondContact O-CG 3.38Å; L271-E290 HydrophobicContact CD2-CB 4.23Å
291G97.8Very high96.7Very high4 Ų436.7 Ų36.74%0.04119%0.194CC..EExtended strand (participates in β ladder)trans-108.5130.7177.400000112.6I270I270-G291 WeakPolarHBondContact CG1-O 3.44Å; I270-G291 PolarHBondContact O-N 2.83Å
292R97.8Very high97.1Very high67 Ų6740.5 Ų40.525%0.25320%0.198SC..EExtended strand (participates in β ladder)trans-131.991.9173.3-179167.1167.4166.50.7111.7L150 Y151 C152 C294 D300 D304L150-R292 PolarHBondContact O-N 3.24Å; Y151-R292 WeakPolarHBondContact CA-O 3.25Å; Y151-R292 HydrophobicContact CD1-CB 4.05Å; Y151-R292 HydrophobicContact CD1-CG 4.13Å; Y151-R292 HydrophobicContact CE1-CB 4.36Å; Y151-R292 HydrophobicContact CE1-CG 4.41Å; C152-R292 PolarHBondContact N-O 2.94Å; R292-C294 HydrophobicContact CG-CB 4.29Å; R292-C294 PolarHBondContact O-N 2.79Å; R292-C294 PolarHBondContact O-SG 2.82Å; R292-C294 VanDerWaalsContact O-SG 3.4Å; R292-D300 IonicContact CZ-OD2 3.81Å; R292-D300 IonicContact NE-OD2 3.74Å; R292-D300 PolarHBondContact NE-OD2 3.14Å; R292-D300 VanDerWaalsContact NH2-CG 3.31Å; R292-D300 IonicContact NH2-OD2 3.59Å; R292-D300 PolarHBondContact NH2-OD2 2.68Å; R292-D304 IonicContact CZ-OD1 3.56Å; R292-D304 IonicContact CZ-OD2 3.54Å; R292-D304 IonicContact NH1-OD1 2.68Å; R292-D304 PolarHBondContact NH1-OD1 3.37Å; R292-D304 IonicContact NH1-OD2 3.67Å; R292-D304 PolarHBondContact NH1-OD2 3.48Å
293I98.3Very high97.3Very high1 Ų136.9 Ų36.91%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-72.6116.2171.5-47.967.1000108.6C152 I154 F255 C257 S259 M265 I270C152-I293 CarbonylContact O-C 3.44Å; C152-I293 VanDerWaalsContact O-CA 3.23Å; C152-I293 WeakPolarHBondContact O-CA 3.36Å; I154-I293 HydrophobicContact CB-CG2 4.08Å; F255-I293 HydrophobicContact CB-CD1 4.26Å; F255-I293 HydrophobicContact CB-CG1 3.46Å; F255-I293 VanDerWaalsContact CB-CG1 3.46Å; F255-I293 HydrophobicContact CB-CG2 4.45Å; F255-I293 HydrophobicContact CD1-CD1 4.2Å; F255-I293 HydrophobicContact CD1-CG1 4.31Å; F255-I293 HydrophobicContact CG-CD1 4.44Å; F255-I293 HydrophobicContact CG-CG1 4.07Å; C257-I293 WeakPolarHBondContact O-CB 3.34Å; C257-I293 WeakPolarHBondContact O-CG1 3.24Å; C257-I293 WeakPolarHBondContact O-CG2 3.38Å; S259-I293 WeakPolarHBondContact CB-O 3.44Å; S259-I293 PolarHBondContact N-O 2.89Å; S259-I293 PolarHBondContact OG-N 2.9Å; S259-I293 PolarHBondContact OG-O 2.77Å; M265-I293 HydrophobicContact CE-CD1 3.99Å; M265-I293 HydrophobicContact CE-CG1 4.47Å; M265-I293 HydrophobicContact SD-CD1 4.23Å; I270-I293 HydrophobicContact CD1-CD1 4.14Å
294C97.4Very high97.3Very high12 Ų1235.8 Ų35.88%0.08118%0.182CC..  trans-155.5155.6-172.160.90000112.4C152 Q153 R292 C296C152-C294 PolarHBondContact O-N 2.85Å; C152-C294 VanDerWaalsContact O-O 3.05Å; Q153-C294 WeakPolarHBondContact CA-O 3.42Å; R292-C294 HydrophobicContact CG-CB 4.29Å; R292-C294 PolarHBondContact O-N 2.79Å; R292-C294 PolarHBondContact O-SG 2.82Å; R292-C294 VanDerWaalsContact O-SG 3.4Å; C294-C296 VanDerWaalsContact C-N 3.31Å; C294-C296 PolarHBondContact O-N 3.03Å
295A96.3Very high97.3Very high68 Ų6836.1 Ų36.156%0.56218%0.184SC*.SBendtrans-69.8-20.6-175.400000115.1Q153Q153-A295 PolarHBondContact NE2-O 2.84Å
296C96.2Very high97.2Very high31 Ų3139.2 Ų39.221%0.20920%0.2CC..  trans-13772.7-176-59.30000112.1C294 G298 R299 D300C294-C296 VanDerWaalsContact C-N 3.31Å; C294-C296 PolarHBondContact O-N 3.03Å; C296-G298 PolarHBondContact O-N 3.24Å; C296-R299 HydrophobicContact CB-CB 4.01Å; C296-R299 PolarHBondContact O-N 2.85Å; C296-R299 VanDerWaalsContact O-N 3.1Å; C296-D300 PolarHBondContact O-N 2.63Å
297P97.4Very high97.1Very high0 Ų041.9 Ų41.90%021%0.214CC..Hα-helixtrans-49.6-49.9-173.5-32.238.3000115A139 T142 Q153 R299 D300 R301A139-P297 WeakPolarHBondContact O-CD 3.14Å; A139-P297 WeakPolarHBondContact O-CG 3.48Å; T142-P297 HydrophobicContact CG2-CB 3.94Å; Q153-P297 HydrophobicContact CG-CG 3.94Å; P297-R299 VanDerWaalsContact C-N 3.33Å; P297-R299 PolarHBondContact O-N 3.28Å; P297-D300 PolarHBondContact O-N 3.12Å; P297-R301 WeakPolarHBondContact O-CB 3.42Å; P297-R301 PolarHBondContact O-N 3.21Å
298G96.9Very high97Very high4 Ų444.2 Ų44.24%0.04122%0.224CC..Hα-helixtrans-61.7-35.2-179.600000114.7T135 C296 K302T135-G298 WeakPolarHBondContact O-CA 3.38Å; C296-G298 PolarHBondContact O-N 3.24Å; G298-K302 WeakPolarHBondContact O-CB 3.31Å; G298-K302 PolarHBondContact O-N 2.94Å; G298-K302 VanDerWaalsContact O-N 3.11Å
299R96.9Very high96.9Very high151 Ų15148.1 Ų48.157%0.5724%0.235SC*.Hα-helixtrans-70.7-50.3175.8179.5-160.566.9-165.2-1.4110.9C296 P297 R301 K302 A303C296-R299 HydrophobicContact CB-CB 4.01Å; C296-R299 PolarHBondContact O-N 2.85Å; C296-R299 VanDerWaalsContact O-N 3.1Å; P297-R299 VanDerWaalsContact C-N 3.33Å; P297-R299 PolarHBondContact O-N 3.28Å; R299-R301 VanDerWaalsContact C-N 3.3Å; R299-R301 PolarHBondContact O-N 2.79Å; R299-K302 PolarHBondContact O-N 2.88Å; R299-A303 PolarHBondContact O-N 2.91Å
300D97.2Very high96.7Very high14 Ų1453.6 Ų53.68%0.07526%0.26CS..Hα-helixtrans-66.8-35.8-176.4-7933.6000111.1Y151 R292 C296 P297 D304Y151-D300 HydrophobicContact CD1-CB 3.95Å; Y151-D300 HydrophobicContact CE1-CB 4.21Å; R292-D300 IonicContact CZ-OD2 3.81Å; R292-D300 IonicContact NE-OD2 3.74Å; R292-D300 PolarHBondContact NE-OD2 3.14Å; R292-D300 VanDerWaalsContact NH2-CG 3.31Å; R292-D300 IonicContact NH2-OD2 3.59Å; R292-D300 PolarHBondContact NH2-OD2 2.68Å; C296-D300 PolarHBondContact O-N 2.63Å; P297-D300 PolarHBondContact O-N 3.12Å; D300-D304 WeakPolarHBondContact O-CB 3.21Å; D300-D304 PolarHBondContact O-N 3.32Å; D300-D304 VanDerWaalsContact O-N 3.09Å
301R97.1Very high96.4Very high37 Ų3757.5 Ų57.514%0.1428%0.279CS..Hα-helixtrans-59.6-52.7168.7177.9176.5166.1-160.9-5.3111.8T142 Y143 Y151 P297 R299 A303 D304 E305T142-R301 HydrophobicContact CG2-CB 3.87Å; T142-R301 HydrophobicContact CG2-CG 4.29Å; T142-R301 PolarHBondContact OG1-NH1 3.37Å; Y143-R301 PolarHBondContact O-NH1 3.46Å; Y151-R301 HydrophobicContact CD1-CB 4.15Å; Y151-R301 HydrophobicContact CD2-CB 3.71Å; Y151-R301 HydrophobicContact CD2-CG 4.05Å; Y151-R301 HydrophobicContact CE1-CB 4.18Å; Y151-R301 HydrophobicContact CE2-CB 3.78Å; Y151-R301 HydrophobicContact CE2-CG 3.86Å; Y151-R301 HydrophobicContact CG-CB 3.94Å; P297-R301 WeakPolarHBondContact O-CB 3.42Å; P297-R301 PolarHBondContact O-N 3.21Å; R299-R301 VanDerWaalsContact C-N 3.3Å; R299-R301 PolarHBondContact O-N 2.79Å; R301-A303 VanDerWaalsContact C-N 3.33Å; R301-A303 PolarHBondContact O-N 2.85Å; R301-D304 PolarHBondContact O-N 3.06Å; R301-E305 HydrophobicContact CG-CG 4.37Å; R301-E305 IonicContact CZ-OE1 2.72Å; R301-E305 IonicContact NE-OE1 3.37Å; R301-E305 PolarHBondContact NE-OE1 2.81Å; R301-E305 IonicContact NH2-OE1 2.79Å; R301-E305 PolarHBondContact NH2-OE1 2.84Å; R301-E305 WeakPolarHBondContact O-CB 3.29Å; R301-E305 WeakPolarHBondContact O-CG 3.34Å; R301-E305 PolarHBondContact O-N 2.9Å
302K96Very high95.9Very high124 Ų12461.8 Ų61.854%0.53930%0.298SS..Hα-helixtrans-59.4-44.9-179.6177.1170.3176.8177.20111.5G298 R299 E305 D306G298-K302 WeakPolarHBondContact O-CB 3.31Å; G298-K302 PolarHBondContact O-N 2.94Å; G298-K302 VanDerWaalsContact O-N 3.11Å; R299-K302 PolarHBondContact O-N 2.88Å; K302-E305 PolarHBondContact O-N 2.77Å; K302-D306 WeakPolarHBondContact CE-OD2 3.34Å; K302-D306 VanDerWaalsContact CG-OD2 3.27Å; K302-D306 WeakPolarHBondContact CG-OD2 3.4Å; K302-D306 WeakPolarHBondContact O-CB 3.3Å; K302-D306 PolarHBondContact O-N 2.86Å
303A96.7Very high95.6Very high53 Ų5361.3 Ų61.344%0.43831%0.308SS..Hα-helixtrans-62.2-45.2-179.600000112.7R299 R301 D306 H307R299-A303 PolarHBondContact O-N 2.91Å; R301-A303 VanDerWaalsContact C-N 3.33Å; R301-A303 PolarHBondContact O-N 2.85Å; A303-D306 PolarHBondContact O-N 3.03Å; A303-H307 VanDerWaalsContact O-CB 3.31Å; A303-H307 WeakPolarHBondContact O-CB 3.3Å; A303-H307 PolarHBondContact O-N 3.09Å
304D96.9Very high95.1Very high33 Ų3366.1 Ų66.118%0.17633%0.333CS..Hα-helixtrans-66.4-36176.4-72.87.4000111.9L147 K149 Y151 R292 D300 R301 Y308L147-D304 HydrophobicContact CD1-CB 3.72Å; K149-D304 WeakPolarHBondContact CE-OD2 3.33Å; K149-D304 IonicContact NZ-OD2 2.77Å; K149-D304 PolarHBondContact NZ-OD2 3Å; Y151-D304 HydrophobicContact CE1-CB 4.47Å; Y151-D304 WeakPolarHBondContact CE1-OD2 3.43Å; Y151-D304 WeakPolarHBondContact OH-CB 2.92Å; Y151-D304 PolarHBondContact OH-OD2 2.67Å; R292-D304 IonicContact CZ-OD1 3.56Å; R292-D304 IonicContact CZ-OD2 3.54Å; R292-D304 IonicContact NH1-OD1 2.68Å; R292-D304 PolarHBondContact NH1-OD1 3.37Å; R292-D304 IonicContact NH1-OD2 3.67Å; R292-D304 PolarHBondContact NH1-OD2 3.48Å; D300-D304 WeakPolarHBondContact O-CB 3.21Å; D300-D304 PolarHBondContact O-N 3.32Å; D300-D304 VanDerWaalsContact O-N 3.09Å; R301-D304 PolarHBondContact O-N 3.06Å; D304-Y308 WeakPolarHBondContact O-CB 3.18Å; D304-Y308 PolarHBondContact O-N 3.29Å
305E96.7Very high94.3Very high24 Ų2471 Ų7111%0.11236%0.358CS..Hα-helixtrans-72.2-37.9176.2-75.4-175-174.800113.3S144 L146 L147 R301 K302 Y308 R309S144-E305 VanDerWaalsContact CB-OE1 3.29Å; S144-E305 WeakPolarHBondContact CB-OE1 3.3Å; S144-E305 PolarHBondContact OG-OE1 3.45Å; L146-E305 HydrophobicContact CD2-CG 4.28Å; L147-E305 HydrophobicContact CD1-CG 3.75Å; L147-E305 HydrophobicContact CG-CG 4.18Å; R301-E305 HydrophobicContact CG-CG 4.37Å; R301-E305 IonicContact CZ-OE1 2.72Å; R301-E305 IonicContact NE-OE1 3.37Å; R301-E305 PolarHBondContact NE-OE1 2.81Å; R301-E305 IonicContact NH2-OE1 2.79Å; R301-E305 PolarHBondContact NH2-OE1 2.84Å; R301-E305 WeakPolarHBondContact O-CB 3.29Å; R301-E305 WeakPolarHBondContact O-CG 3.34Å; R301-E305 PolarHBondContact O-N 2.9Å; K302-E305 PolarHBondContact O-N 2.77Å; E305-Y308 PolarHBondContact O-N 2.95Å; E305-R309 PolarHBondContact O-N 2.74Å; E305-R309 VanDerWaalsContact O-N 3.08Å; E305-R309 IonicContact OE2-NH1 2.94Å
306D96.4Very high93.5Very high66 Ų6672.9 Ų72.935%0.35336%0.355SS..Hα-helixtrans-64.5-46.8174.9-76.4-27000110.2K302 A303 Y308 R309 E310K302-D306 WeakPolarHBondContact CE-OD2 3.34Å; K302-D306 VanDerWaalsContact CG-OD2 3.27Å; K302-D306 WeakPolarHBondContact CG-OD2 3.4Å; K302-D306 WeakPolarHBondContact O-CB 3.3Å; K302-D306 PolarHBondContact O-N 2.86Å; A303-D306 PolarHBondContact O-N 3.03Å; D306-Y308 VanDerWaalsContact C-N 3.32Å; D306-Y308 PolarHBondContact O-N 3.41Å; D306-R309 WeakPolarHBondContact O-CB 3.38Å; D306-R309 PolarHBondContact O-N 2.95Å; D306-R309 VanDerWaalsContact O-N 3.12Å; D306-R309 IonicContact OD1-CZ 2.71Å; D306-R309 IonicContact OD1-NE 2.72Å; D306-R309 IonicContact OD1-NH2 2.61Å; D306-R309 PolarHBondContact OD1-NH2 3.17Å; D306-E310 PolarHBondContact O-N 3.39Å
307H96.3Very high92.3Very high98 Ų9873.8 Ų73.845%0.45436%0.362SS..Hα-helixtrans-61-37.1174.7176.3-110.9000112.6A303 E310 Q311A303-H307 VanDerWaalsContact O-CB 3.31Å; A303-H307 WeakPolarHBondContact O-CB 3.3Å; A303-H307 PolarHBondContact O-N 3.09Å; H307-E310 PolarHBondContact O-N 3.4Å; H307-Q311 PolarHBondContact CE1-NE2 3.27Å; H307-Q311 PolarHBondContact NE2-NE2 3Å; H307-Q311 WeakPolarHBondContact O-CG 3.3Å; H307-Q311 PolarHBondContact O-N 3.5Å
308Y95.4Very high90.6Very high87 Ų8778.5 Ų78.534%0.34139%0.391SS..Hα-helixtrans-68.2-31.4174.4-176.6-102.7000113.2L146 L147 D304 E305 D306 Q312L146-Y308 HydrophobicContact CD1-CD1 4.18Å; L146-Y308 HydrophobicContact CD1-CE1 3.8Å; L146-Y308 HydrophobicContact CD2-CD1 3.94Å; L146-Y308 HydrophobicContact CD2-CE1 4.42Å; L146-Y308 HydrophobicContact CG-CD1 3.85Å; L146-Y308 HydrophobicContact CG-CE1 3.92Å; L147-Y308 HydrophobicContact CD2-CD1 4Å; L147-Y308 HydrophobicContact CD2-CD2 3.88Å; L147-Y308 HydrophobicContact CD2-CG 3.59Å; D304-Y308 WeakPolarHBondContact O-CB 3.18Å; D304-Y308 PolarHBondContact O-N 3.29Å; E305-Y308 PolarHBondContact O-N 2.95Å; D306-Y308 VanDerWaalsContact C-N 3.32Å; D306-Y308 PolarHBondContact O-N 3.41Å; Y308-Q312 VanDerWaalsContact CD1-NE2 3.26Å; Y308-Q312 WeakPolarHBondContact O-CG 3.32Å; Y308-Q312 PolarHBondContact O-N 2.7Å; Y308-Q312 PolarHBondContact O-NE2 3.33Å
309R94.8Very high88.7Confident107 Ų10783.3 Ų83.340%0.40442%0.42SS..Hα-helixtrans-69.6-44.7170.5-74.6179.9-80-88.73.2111.6E305 D306 Q311 Q312 A313E305-R309 PolarHBondContact O-N 2.74Å; E305-R309 VanDerWaalsContact O-N 3.08Å; E305-R309 IonicContact OE2-NH1 2.94Å; D306-R309 WeakPolarHBondContact O-CB 3.38Å; D306-R309 PolarHBondContact O-N 2.95Å; D306-R309 VanDerWaalsContact O-N 3.12Å; D306-R309 IonicContact OD1-CZ 2.71Å; D306-R309 IonicContact OD1-NE 2.72Å; D306-R309 IonicContact OD1-NH2 2.61Å; D306-R309 PolarHBondContact OD1-NH2 3.17Å; R309-Q311 PolarHBondContact O-N 2.82Å; R309-Q312 PolarHBondContact O-N 3.37Å; R309-A313 PolarHBondContact O-N 2.93Å; R309-A313 VanDerWaalsContact O-N 3.15Å
310E94.3Very high86.9Confident120 Ų12082 Ų8256%0.56142%0.418SS*.Hα-helixtrans-59.8-45.1177.7-174.6174.1-152.300112.1D306 H307 Q312 A313 L314D306-E310 PolarHBondContact O-N 3.39Å; H307-E310 PolarHBondContact O-N 3.4Å; E310-Q312 VanDerWaalsContact C-N 3.34Å; E310-Q312 PolarHBondContact O-N 2.99Å; E310-A313 PolarHBondContact O-N 3Å; E310-L314 HydrophobicContact CG-CD1 4.17Å; E310-L314 WeakPolarHBondContact O-CG 3.33Å; E310-L314 PolarHBondContact O-N 3.05Å
311Q90.8Very high84.6Confident106 Ų10687 Ų8750%0.49545%0.445SS..Hα-helixtrans-62.4-36.2176.5-74.4-168.9-10.400113.6H307 R309 N315H307-Q311 PolarHBondContact CE1-NE2 3.27Å; H307-Q311 PolarHBondContact NE2-NE2 3Å; H307-Q311 WeakPolarHBondContact O-CG 3.3Å; H307-Q311 PolarHBondContact O-N 3.5Å; R309-Q311 PolarHBondContact O-N 2.82Å; Q311-N315 PolarHBondContact O-N 2.92Å; Q311-N315 VanDerWaalsContact O-N 3.08Å
312Q88.8Confident82.2Confident95 Ų9588.5 Ų88.544%0.44447%0.472SS..Hα-helixtrans-67.2-44.3175.6-75.4169106.300111.6Y308 R309 E310 L314 N315 E316Y308-Q312 VanDerWaalsContact CD1-NE2 3.26Å; Y308-Q312 WeakPolarHBondContact O-CG 3.32Å; Y308-Q312 PolarHBondContact O-N 2.7Å; Y308-Q312 PolarHBondContact O-NE2 3.33Å; R309-Q312 PolarHBondContact O-N 3.37Å; E310-Q312 VanDerWaalsContact C-N 3.34Å; E310-Q312 PolarHBondContact O-N 2.99Å; Q312-L314 VanDerWaalsContact C-N 3.33Å; Q312-L314 PolarHBondContact O-N 2.75Å; Q312-N315 PolarHBondContact O-N 3.21Å; Q312-N315 VanDerWaalsContact O-N 3.15Å; Q312-E316 PolarHBondContact O-N 3.1Å
313A90.3Very high80.2Confident56 Ų5687.3 Ų87.346%0.46349%0.485SS..Hα-helixtrans-63.3-36.717700000112.8R309 E310 S317R309-A313 PolarHBondContact O-N 2.93Å; R309-A313 VanDerWaalsContact O-N 3.15Å; E310-A313 PolarHBondContact O-N 3Å; A313-S317 WeakPolarHBondContact O-CB 3.39Å; A313-S317 PolarHBondContact O-N 2.88Å; A313-S317 PolarHBondContact O-OG 3.3Å
314L87.4Confident77.9Confident103 Ų10389.3 Ų89.354%0.53950%0.502SS..Hα-helixtrans-65.8-37.1172.9-75.7165.2000112.6E310 Q312 S317 T318E310-L314 HydrophobicContact CG-CD1 4.17Å; E310-L314 WeakPolarHBondContact O-CG 3.33Å; E310-L314 PolarHBondContact O-N 3.05Å; Q312-L314 VanDerWaalsContact C-N 3.33Å; Q312-L314 PolarHBondContact O-N 2.75Å; L314-S317 WeakPolarHBondContact CA-OG 3.23Å; L314-S317 PolarHBondContact O-OG 3.17Å; L314-T318 WeakPolarHBondContact O-CB 3.3Å; L314-T318 PolarHBondContact O-N 3.35Å; L314-T318 PolarHBondContact O-OG1 3.13Å
315N82Confident75.8Confident114 Ų11493 Ų9361%0.6153%0.53SS*.Hα-helixtrans-70-44.8177-164.531.8000111.5Q311 Q312 T318 T319Q311-N315 PolarHBondContact O-N 2.92Å; Q311-N315 VanDerWaalsContact O-N 3.08Å; Q312-N315 PolarHBondContact O-N 3.21Å; Q312-N315 VanDerWaalsContact O-N 3.15Å; N315-T318 WeakPolarHBondContact O-CB 3.49Å; N315-T318 PolarHBondContact O-N 3.36Å; N315-T318 VanDerWaalsContact O-N 3.17Å; N315-T319 PolarHBondContact O-N 3.47Å
316E78.9Confident73.5Confident107 Ų107101.6 Ų101.650%0.557%0.567SS.*Hα-helixtrans-66.6-37.2179.6-161-157.813700113.1Q312 T318 T319 K320Q312-E316 PolarHBondContact O-N 3.1Å; E316-T318 VanDerWaalsContact C-N 3.29Å; E316-T318 PolarHBondContact O-N 2.89Å; E316-T319 PolarHBondContact O-OG1 2.9Å; E316-K320 PolarHBondContact O-N 2.89Å; E316-K320 IonicContact OE1-NZ 2.67Å; E316-K320 PolarHBondContact OE1-NZ 3.39Å
317S71.6Confident71.2Confident51 Ų51110.5 Ų110.536%0.35760%0.596SS.*Hα-helixtrans-72.2-23.1173.853.90000113A313 L314 N321A313-S317 WeakPolarHBondContact O-CB 3.39Å; A313-S317 PolarHBondContact O-N 2.88Å; A313-S317 PolarHBondContact O-OG 3.3Å; L314-S317 WeakPolarHBondContact CA-OG 3.23Å; L314-S317 PolarHBondContact O-OG 3.17Å; S317-N321 WeakPolarHBondContact O-CB 3.39Å; S317-N321 PolarHBondContact O-N 3.14Å; S317-N321 PolarHBondContact O-ND2 3.06Å
318T61.2Low68.5Low98 Ų98110.5 Ų110.560%0.60161%0.612SS**Hα-helixtrans-73.4-40175.1-630000112L314 N315 E316L314-T318 WeakPolarHBondContact O-CB 3.3Å; L314-T318 PolarHBondContact O-N 3.35Å; L314-T318 PolarHBondContact O-OG1 3.13Å; N315-T318 WeakPolarHBondContact O-CB 3.49Å; N315-T318 PolarHBondContact O-N 3.36Å; N315-T318 VanDerWaalsContact O-N 3.17Å; E316-T318 VanDerWaalsContact C-N 3.29Å; E316-T318 PolarHBondContact O-N 2.89Å
319T58.1Low65.5Low106 Ų106114.8 Ų114.865%0.6563%0.633SS**Hα-helixtrans-68-39.3175.345.90000112.3N315 E316N315-T319 PolarHBondContact O-N 3.47Å; E316-T319 PolarHBondContact O-OG1 2.9Å
320K57.6Low63.3Low123 Ų123119.1 Ų119.154%0.53566%0.655SS.*Hα-helixtrans-69.2-33.6-179.7-72.6174.8174.6175.20113.8E316E316-K320 PolarHBondContact O-N 2.89Å; E316-K320 IonicContact OE1-NZ 2.67Å; E316-K320 PolarHBondContact OE1-NZ 3.39Å
321N48.6Very low60.4Low120 Ų120121.4 Ų121.464%0.64267%0.665SS**Hα-helixtrans-81.7-10.8-178.2-76.7-51.9000115.3S317 A323S317-N321 WeakPolarHBondContact O-CB 3.39Å; S317-N321 PolarHBondContact O-N 3.14Å; S317-N321 PolarHBondContact O-ND2 3.06Å; N321-A323 PolarHBondContact O-N 2.87Å; N321-A323 VanDerWaalsContact O-N 3.12Å
322G48.2Very low57.6Low68 Ų68121.5 Ų121.570%0.70168%0.678SS**THydrogen-bonded Turntrans-65.9-13.1-175.200000116.2
323A52.9Low55.1Low99 Ų99122.8 Ų122.882%0.81869%0.694SS**THydrogen-bonded Turntrans-85.8-21.1-174.300000115N321N321-A323 PolarHBondContact O-N 2.87Å; N321-A323 VanDerWaalsContact O-N 3.12Å
324A49.4Very low52.8Low94 Ų94126.2 Ų126.278%0.77771%0.712SS**SBendtrans-94.7-3.9-159.400000116.5
325S51.8Low50.3Low110 Ų110126 Ų12677%0.76973%0.725SS**  trans-133.178.9-170.5-163.20000114.8
326K49.8Very low48Very low206 Ų206128.5 Ų128.590%0.89674%0.737SS**  trans-141.394157.8-70.5-166.6178.4-1780111
327R48Very low46.2Very low253 Ų253129.3 Ų129.396%0.95575%0.751SS**  trans-68132.1162.7-65.1-174.5-172.3175.24108.3
328A38.3Very low44.3Very low97 Ų97131.5 Ų131.580%0.80277%0.772SS**  trans-78127.1-172.200000112.5
329F33.8Very low42.9Very low178 Ų178135.2 Ų135.278%0.78179%0.788SS**  trans-101.6115.2160.1-170.3-101.6000108.2Q331F329-Q331 HydrophobicContact CE1-CG 3.97Å
330K47Very low41.7Very low197 Ų197133.6 Ų133.686%0.85779%0.792SS**  trans-90.7115.5-178.9-75.5-175.4177.1-1790110.8
331Q34.7Very low40.5Very low168 Ų168134.1 Ų134.179%0.78581%0.806SS**  trans-139.8135.7148-65.8-168.510.100108.9F329F329-Q331 HydrophobicContact CE1-CG 3.97Å
332S31.1Very low39.6Very low109 Ų109136 Ų13676%0.76282%0.816SS**  trans-112.5159.8169.650.80000109
333P37.4Very low39.1Very low121 Ų121138.7 Ų138.779%0.78682%0.818SS**  -138.1-151.8108.243.8-30.3000111.1
334P40.6Very low38.3Very low129 Ų129142.8 Ų142.884%0.83882%0.817SS**  -107.7167.8-123.115.59.3000114.5
335A35.5Very low37.7Very low98 Ų98147.6 Ų147.681%0.8182%0.821SS**  trans-100.9148.9-179.500000113.3
336I34Very low37Very low166 Ų166153.5 Ų153.585%0.85183%0.826SS**  trans-129.8135.1159.7-64-178.4000106.6
337P40.4Very low36.4Very low124 Ų124155 Ų15581%0.80583%0.826SS**  trans-88.9148.3-168.134.2-35.6000114
338A32.3Very low36.4Very low97 Ų97151.1 Ų151.180%0.80282%0.819SS**  trans-136.7151.5164.700000110
339L31.2Very low36.8Very low177 Ų177149.4 Ų149.493%0.92781%0.811SS**  trans-76.6143-165-85.664.6000113.6
340G33.1Very low37.5Very low71 Ų71148.1 Ų148.173%0.73281%0.812SS**  trans-79.8170.7-170.600000117.2
341T32.1Very low38.1Very low134 Ų134145.5 Ų145.582%0.82280%0.803SS**  trans-129.1129.6145.343.20000108.3V343T341-V343 VanDerWaalsContact C-N 3.31Å; T341-V343 PolarHBondContact O-N 2.97Å
342N31Very low40.1Very low161 Ų161142.1 Ų142.186%0.86179%0.79SS**  trans-84.767.5-176.9-102.1-67.1000111.7K344N342-K344 PolarHBondContact O-N 2.9Å
343V36.4Very low42.4Very low123 Ų123142.6 Ų142.675%0.74578%0.782SS**  trans-84.995.6160.1-176.90000107.8T341 K345T341-V343 VanDerWaalsContact C-N 3.31Å; T341-V343 PolarHBondContact O-N 2.97Å; V343-K345 VanDerWaalsContact C-N 3.28Å; V343-K345 PolarHBondContact O-N 2.77Å
344K36Very low44.7Very low185 Ų185144.9 Ų144.980%0.80478%0.78SS**  trans-63.193.7165.3-76.9-177.6177.8176.90107.9N342 R346N342-K344 PolarHBondContact O-N 2.9Å; K344-R346 PolarHBondContact O-N 2.87Å
345K36.6Very low46.9Very low195 Ų195148.7 Ų148.785%0.84878%0.779SS**  trans-66.181.8170.9-166.2177.4-173178.40108.3V343 R347V343-K345 VanDerWaalsContact C-N 3.28Å; V343-K345 PolarHBondContact O-N 2.77Å; K345-R347 PolarHBondContact O-N 2.69Å
346R37.2Very low49.5Very low234 Ų234150.3 Ų150.388%0.88377%0.771SS**  trans-52.3126.2177.6-160.5177.8-170.2-175.60.8106.6K344 H348K344-R346 PolarHBondContact O-N 2.87Å; R346-H348 PolarHBondContact O-N 2.84Å
347R37.3Very low52.2Low237 Ų237151.5 Ų151.589%0.89477%0.773SS**  trans-65.7110.2178-66.1-177.4-179-137.93.2106.9K345K345-R347 PolarHBondContact O-N 2.69Å
348H49Very low54.8Low172 Ų172148.1 Ų148.180%0.79675%0.75SS**  trans-82.5113.6163.5179.370.6000105.6R346 E351R346-H348 PolarHBondContact O-N 2.84Å; H348-E351 IonicContact CE1-OE1 3.45Å; H348-E351 PolarHBondContact CE1-OE1 2.77Å
349G46Very low57.6Low62 Ų62154.5 Ų154.564%0.63975%0.753SS**  trans142.258.8-160.900000111.6
350D48.4Very low60.5Low151 Ų151148.3 Ų148.381%0.80773%0.732SS**  trans-159.352.8164-136.422.8000108.4D352D350-D352 PolarHBondContact O-N 3.32Å
351E60.3Low63.2Low141 Ų141154.3 Ų154.366%0.65973%0.732SS**  trans-93.383173.1-79.3-175.7-147.900109.7H348 M353H348-E351 IonicContact CE1-OE1 3.45Å; H348-E351 PolarHBondContact CE1-OE1 2.77Å; E351-M353 PolarHBondContact O-N 2.72Å
352D76.9Confident66.1Low97 Ų97155 Ų15552%0.51973%0.726SS.*  trans-71.4111.3166.8-87-34.8000109.7D350 F354D350-D352 PolarHBondContact O-N 3.32Å; D352-F354 HydrophobicContact CB-CD2 4.29Å; D352-F354 HydrophobicContact CB-CE2 3.48Å; D352-F354 VanDerWaalsContact CB-CE2 3.48Å; D352-F354 HydrophobicContact CB-CZ 3.62Å; D352-F354 WeakPolarHBondContact O-CD2 3.41Å; D352-F354 VanDerWaalsContact O-CE2 3.32Å; D352-F354 WeakPolarHBondContact O-CE2 3.49Å; D352-F354 PolarHBondContact O-N 2.79Å
353M77.7Confident69.1Low119 Ų119151.5 Ų151.559%0.58671%0.708SS**  trans-82.6107.6178.6-175.557.257.900110.9E351E351-M353 PolarHBondContact O-N 2.72Å
354F86.4Confident71.9Confident169 Ų169150.9 Ų150.974%0.74170%0.695SS**  trans-95.7132.4-180-63-82000112.5D352D352-F354 HydrophobicContact CB-CD2 4.29Å; D352-F354 HydrophobicContact CB-CE2 3.48Å; D352-F354 VanDerWaalsContact CB-CE2 3.48Å; D352-F354 HydrophobicContact CB-CZ 3.62Å; D352-F354 WeakPolarHBondContact O-CD2 3.41Å; D352-F354 VanDerWaalsContact O-CE2 3.32Å; D352-F354 WeakPolarHBondContact O-CE2 3.49Å; D352-F354 PolarHBondContact O-N 2.79Å
355Y87.1Confident74.7Confident209 Ų209146.2 Ų146.282%0.8268%0.676SS**  trans-94.3121.6176.8-64.2-79000111.9
356M90.5Very high77.6Confident133 Ų133141 Ų14166%0.65566%0.657SS**  trans-108126.2173.8-179.3168.655.200110.9V358 L367M356-V358 HydrophobicContact CE-CG2 4.29Å; M356-V358 HydrophobicContact CG-CG2 4.28Å; M356-V358 PolarHBondContact O-N 2.66Å; M356-L367 HydrophobicContact CE-CD1 3.96Å; M356-L367 HydrophobicContact CE-CD2 4.31Å
357H90.4Very high80.4Confident191 Ų191133.4 Ų133.488%0.88463%0.633SS**  trans-80.2115.2174.3-74.391.7000110.4
358V94.8Very high83.1Confident53 Ų53124.9 Ų124.932%0.32160%0.604SS.*  trans-108.5136.9179.3-175.80000110.3M356 N363 F364 L367M356-V358 HydrophobicContact CE-CG2 4.29Å; M356-V358 HydrophobicContact CG-CG2 4.28Å; M356-V358 PolarHBondContact O-N 2.66Å; V358-N363 HydrophobicContact CG1-CB 3.8Å; V358-F364 HydrophobicContact CB-CB 4.45Å; V358-F364 HydrophobicContact CG1-CB 4.03Å; V358-L367 HydrophobicContact CG1-CD1 3.95Å; V358-L367 HydrophobicContact CG2-CD1 3.68Å
359R90.5Very high85.2Confident231 Ų231122.7 Ų122.787%0.87259%0.592SS**  trans-108.6130.3176-172.1-178.9179.599-0.5110.4N363R359-N363 PolarHBondContact O-ND2 3.37Å
360G92.7Very high87.6Confident46 Ų46123.1 Ų123.147%0.47458%0.582SS.*SBendtrans91.6139.2-176.900000112.4F364G360-F364 PolarHBondContact O-N 3.18Å
361R90.4Very high89.7Confident198 Ų198120.2 Ų120.275%0.74756%0.562SS**Hα-helixtrans-67-47-176.3175.4178.5-72.1178.3-2.7112.1N363 F364 E365R361-N363 PolarHBondContact O-N 3.4Å; R361-F364 WeakPolarHBondContact O-CA 3.19Å; R361-F364 WeakPolarHBondContact O-CB 3.31Å; R361-F364 PolarHBondContact O-N 2.8Å; R361-F364 VanDerWaalsContact O-N 3.08Å; R361-E365 VanDerWaalsContact CD-OE1 3.24Å; R361-E365 WeakPolarHBondContact CD-OE1 3.22Å; R361-E365 HydrophobicContact CG-CG 4.31Å; R361-E365 WeakPolarHBondContact CG-OE1 3.26Å; R361-E365 PolarHBondContact O-N 2.85Å
362E93.1Very high91.2Very high147 Ų147118.5 Ų118.569%0.68755%0.554SS**Hα-helixtrans-59.7-46.4-178.6-175.4169.6-154.800112.1F364 E365 I366E362-F364 VanDerWaalsContact C-N 3.28Å; E362-F364 PolarHBondContact O-N 3.18Å; E362-E365 PolarHBondContact O-N 3.47Å; E362-E365 VanDerWaalsContact O-N 3.16Å; E362-I366 HydrophobicContact CG-CD1 4.07Å; E362-I366 WeakPolarHBondContact O-CG1 3.27Å; E362-I366 PolarHBondContact O-N 3.34Å
363N93Very high91.9Very high89 Ų89116.9 Ų116.948%0.47655%0.551SS.*Hα-helixtrans-55.7-41.7172.7-64.8-27.1000112.5V358 R359 R361 L367V358-N363 HydrophobicContact CG1-CB 3.8Å; R359-N363 PolarHBondContact O-ND2 3.37Å; R361-N363 PolarHBondContact O-N 3.4Å; N363-L367 WeakPolarHBondContact O-CB 3.47Å; N363-L367 WeakPolarHBondContact O-CD1 3.35Å; N363-L367 VanDerWaalsContact O-CG 3.28Å; N363-L367 WeakPolarHBondContact O-CG 3.37Å; N363-L367 PolarHBondContact O-N 3.27Å
364F96.3Very high92.5Very high109 Ų109116.7 Ų116.748%0.47855%0.552SS.*Hα-helixtrans-67.5-42.5177.1171.5-91.2000112V358 G360 R361 E362 L367 M368V358-F364 HydrophobicContact CB-CB 4.45Å; V358-F364 HydrophobicContact CG1-CB 4.03Å; G360-F364 PolarHBondContact O-N 3.18Å; R361-F364 WeakPolarHBondContact O-CA 3.19Å; R361-F364 WeakPolarHBondContact O-CB 3.31Å; R361-F364 PolarHBondContact O-N 2.8Å; R361-F364 VanDerWaalsContact O-N 3.08Å; E362-F364 VanDerWaalsContact C-N 3.28Å; E362-F364 PolarHBondContact O-N 3.18Å; F364-L367 PolarHBondContact O-N 2.85Å; F364-M368 HydrophobicContact CE1-CE 4.03Å; F364-M368 HydrophobicContact CE2-CE 3.62Å; F364-M368 HydrophobicContact CZ-CE 3.33Å; F364-M368 WeakPolarHBondContact O-CB 3.19Å; F364-M368 PolarHBondContact O-N 2.94Å
365E94.3Very high92.5Very high87 Ų87112.9 Ų112.941%0.40754%0.536SS..Hα-helixtrans-66.8-36.9177.4-71.7178.5-154.100112.7R361 E362 K369R361-E365 VanDerWaalsContact CD-OE1 3.24Å; R361-E365 WeakPolarHBondContact CD-OE1 3.22Å; R361-E365 HydrophobicContact CG-CG 4.31Å; R361-E365 WeakPolarHBondContact CG-OE1 3.26Å; R361-E365 PolarHBondContact O-N 2.85Å; E362-E365 PolarHBondContact O-N 3.47Å; E362-E365 VanDerWaalsContact O-N 3.16Å; E365-K369 WeakPolarHBondContact O-CD 3.47Å; E365-K369 VanDerWaalsContact O-CG 3.27Å; E365-K369 WeakPolarHBondContact O-CG 3.36Å; E365-K369 PolarHBondContact O-N 3.22Å; E365-K369 VanDerWaalsContact O-N 3.12Å
366I96.4Very high92.5Very high87 Ų87108.3 Ų108.345%0.44653%0.525SS..Hα-helixtrans-64.2-50173.2-67.8164.8000110E362 M368 K369 V370E362-I366 HydrophobicContact CG-CD1 4.07Å; E362-I366 WeakPolarHBondContact O-CG1 3.27Å; E362-I366 PolarHBondContact O-N 3.34Å; I366-M368 VanDerWaalsContact C-N 3.32Å; I366-M368 PolarHBondContact O-N 3.06Å; I366-K369 PolarHBondContact O-N 3.35Å; I366-V370 WeakPolarHBondContact O-CG2 3.28Å; I366-V370 PolarHBondContact O-N 3.11Å
367L96Very high92.1Very high74 Ų74107 Ų10739%0.38752%0.519SS..Hα-helixtrans-67.1-31.1-179.4-71.2167.5000112.8M356 V358 N363 F364 V370 K371M356-L367 HydrophobicContact CE-CD1 3.96Å; M356-L367 HydrophobicContact CE-CD2 4.31Å; V358-L367 HydrophobicContact CG1-CD1 3.95Å; V358-L367 HydrophobicContact CG2-CD1 3.68Å; N363-L367 WeakPolarHBondContact O-CB 3.47Å; N363-L367 WeakPolarHBondContact O-CD1 3.35Å; N363-L367 VanDerWaalsContact O-CG 3.28Å; N363-L367 WeakPolarHBondContact O-CG 3.37Å; N363-L367 PolarHBondContact O-N 3.27Å; F364-L367 PolarHBondContact O-N 2.85Å; L367-V370 PolarHBondContact O-N 2.95Å; L367-K371 PolarHBondContact O-N 3.41Å
368M94.3Very high91.6Very high58 Ų58106 Ų10629%0.28651%0.514SS..Hα-helixtrans-66.6-45.7172.9-163.663.465.100111.5F364 I366 V370 K371 E372F364-M368 HydrophobicContact CE1-CE 4.03Å; F364-M368 HydrophobicContact CE2-CE 3.62Å; F364-M368 HydrophobicContact CZ-CE 3.33Å; F364-M368 WeakPolarHBondContact O-CB 3.19Å; F364-M368 PolarHBondContact O-N 2.94Å; I366-M368 VanDerWaalsContact C-N 3.32Å; I366-M368 PolarHBondContact O-N 3.06Å; M368-V370 VanDerWaalsContact C-N 3.28Å; M368-V370 PolarHBondContact O-N 3.16Å; M368-K371 WeakPolarHBondContact O-CB 3.45Å; M368-K371 PolarHBondContact O-N 3.19Å; M368-K371 VanDerWaalsContact O-N 3.12Å; M368-K371 HydrophobicContact SD-CD 3.96Å; M368-E372 HydrophobicContact CG-CG 4.4Å; M368-E372 WeakPolarHBondContact O-CG 3.49Å; M368-E372 PolarHBondContact O-N 2.83Å
369K94.2Very high91Very high126 Ų126110 Ų11055%0.54853%0.533SS..Hα-helixtrans-60.1-38175-70.9161.5-173.7162.70112E365 I366 S373E365-K369 WeakPolarHBondContact O-CD 3.47Å; E365-K369 VanDerWaalsContact O-CG 3.27Å; E365-K369 WeakPolarHBondContact O-CG 3.36Å; E365-K369 PolarHBondContact O-N 3.22Å; E365-K369 VanDerWaalsContact O-N 3.12Å; I366-K369 PolarHBondContact O-N 3.35Å; K369-S373 WeakPolarHBondContact O-CB 3.28Å; K369-S373 PolarHBondContact O-N 3.23Å; K369-S373 PolarHBondContact O-OG 3.4Å
370V95Very high90.7Very high71 Ų71101.2 Ų101.243%0.4351%0.505SS..Hα-helixtrans-63.5-48.1172.7173.40000111.1I366 L367 M368 S373 L374I366-V370 WeakPolarHBondContact O-CG2 3.28Å; I366-V370 PolarHBondContact O-N 3.11Å; L367-V370 PolarHBondContact O-N 2.95Å; M368-V370 VanDerWaalsContact C-N 3.28Å; M368-V370 PolarHBondContact O-N 3.16Å; V370-S373 PolarHBondContact O-N 3.22Å; V370-S373 PolarHBondContact O-OG 2.99Å; V370-L374 HydrophobicContact CG1-CD1 4.1Å; V370-L374 WeakPolarHBondContact O-CG 3.38Å; V370-L374 PolarHBondContact O-N 3.14Å; V370-L374 VanDerWaalsContact O-N 3.13Å
371K94.1Very high90.3Very high89 Ų89103.1 Ų103.139%0.38751%0.51SS..Hα-helixtrans-55.2-55.3175.1175.5-169.4172.1-72.20111.5L367 M368 S373 L374 E375L367-K371 PolarHBondContact O-N 3.41Å; M368-K371 WeakPolarHBondContact O-CB 3.45Å; M368-K371 PolarHBondContact O-N 3.19Å; M368-K371 VanDerWaalsContact O-N 3.12Å; M368-K371 HydrophobicContact SD-CD 3.96Å; K371-S373 VanDerWaalsContact C-N 3.31Å; K371-S373 PolarHBondContact O-N 3.42Å; K371-L374 PolarHBondContact O-N 3.36Å; K371-L374 VanDerWaalsContact O-N 3.13Å; K371-E375 VanDerWaalsContact CE-OE1 3.29Å; K371-E375 WeakPolarHBondContact CE-OE1 3.32Å; K371-E375 IonicContact NZ-OE1 2.63Å; K371-E375 PolarHBondContact NZ-OE1 3.4Å; K371-E375 IonicContact NZ-OE2 3.97Å; K371-E375 PolarHBondContact NZ-OE2 3.42Å; K371-E375 PolarHBondContact O-N 3.07Å
372E91.4Very high89.9Confident105 Ų10599 Ų9949%0.49150%0.499SS..Hα-helixtrans-61.3-37.8-176.5-69.4170.1164.600112M368 L376M368-E372 HydrophobicContact CG-CG 4.4Å; M368-E372 WeakPolarHBondContact O-CG 3.49Å; M368-E372 PolarHBondContact O-N 2.83Å; E372-L376 VanDerWaalsContact O-CB 3.27Å; E372-L376 WeakPolarHBondContact O-CB 3.35Å; E372-L376 PolarHBondContact O-N 2.83Å
373S91.3Very high89.6Confident64 Ų6496.9 Ų96.945%0.44850%0.498SS..Hα-helixtrans-70.1-30.4176.364.20000113.9K369 V370 K371 M377K369-S373 WeakPolarHBondContact O-CB 3.28Å; K369-S373 PolarHBondContact O-N 3.23Å; K369-S373 PolarHBondContact O-OG 3.4Å; V370-S373 PolarHBondContact O-N 3.22Å; V370-S373 PolarHBondContact O-OG 2.99Å; K371-S373 VanDerWaalsContact C-N 3.31Å; K371-S373 PolarHBondContact O-N 3.42Å; S373-M377 WeakPolarHBondContact O-CB 3.46Å; S373-M377 PolarHBondContact O-N 3.26Å
374L90Very high89.2Confident114 Ų11496.6 Ų96.660%0.59750%0.496SS*.Hα-helixtrans-72.5-45.1174-69.8170.4000111.3V370 K371 L376 M377 E378V370-L374 HydrophobicContact CG1-CD1 4.1Å; V370-L374 WeakPolarHBondContact O-CG 3.38Å; V370-L374 PolarHBondContact O-N 3.14Å; V370-L374 VanDerWaalsContact O-N 3.13Å; K371-L374 PolarHBondContact O-N 3.36Å; K371-L374 VanDerWaalsContact O-N 3.13Å; L374-L376 VanDerWaalsContact C-N 3.31Å; L374-L376 PolarHBondContact O-N 3.08Å; L374-M377 WeakPolarHBondContact O-CB 3.4Å; L374-M377 PolarHBondContact O-N 3.49Å; L374-M377 VanDerWaalsContact O-N 3.13Å; L374-E378 PolarHBondContact O-N 2.78Å
375E87.3Confident88.6Confident90 Ų9092.7 Ų92.742%0.42148%0.481SS..Hα-helixtrans-60-41173.9-69.1170.3141.700111.6K371 M377 E378K371-E375 VanDerWaalsContact CE-OE1 3.29Å; K371-E375 WeakPolarHBondContact CE-OE1 3.32Å; K371-E375 IonicContact NZ-OE1 2.63Å; K371-E375 PolarHBondContact NZ-OE1 3.4Å; K371-E375 IonicContact NZ-OE2 3.97Å; K371-E375 PolarHBondContact NZ-OE2 3.42Å; K371-E375 PolarHBondContact O-N 3.07Å; E375-M377 VanDerWaalsContact C-N 3.35Å; E375-E378 PolarHBondContact O-N 3.31Å
376L85.7Confident88.2Confident113 Ų11392.1 Ų92.159%0.59248%0.48SS*.Hα-helixtrans-66.9-34.4174.9-173.364.2000112.4E372 L374 E378 L379E372-L376 VanDerWaalsContact O-CB 3.27Å; E372-L376 WeakPolarHBondContact O-CB 3.35Å; E372-L376 PolarHBondContact O-N 2.83Å; L374-L376 VanDerWaalsContact C-N 3.31Å; L374-L376 PolarHBondContact O-N 3.08Å; L376-E378 VanDerWaalsContact C-N 3.33Å; L376-E378 PolarHBondContact O-N 2.85Å; L376-L379 WeakPolarHBondContact O-CB 3.31Å; L376-L379 PolarHBondContact O-N 2.97Å; L376-L379 VanDerWaalsContact O-N 3.15Å
377M83.3Confident87.9Confident106 Ų10690.6 Ų90.652%0.52248%0.478SS..Hα-helixtrans-62.6-38.1178.2-171.565.363.300112S373 L374 E375 L379 V380S373-M377 WeakPolarHBondContact O-CB 3.46Å; S373-M377 PolarHBondContact O-N 3.26Å; L374-M377 WeakPolarHBondContact O-CB 3.4Å; L374-M377 PolarHBondContact O-N 3.49Å; L374-M377 VanDerWaalsContact O-N 3.13Å; E375-M377 VanDerWaalsContact C-N 3.35Å; M377-L379 PolarHBondContact O-N 3.49Å; M377-V380 WeakPolarHBondContact O-CB 3.47Å; M377-V380 PolarHBondContact O-N 3.45Å; M377-V380 VanDerWaalsContact O-N 3.09Å; M377-V380 HydrophobicContact SD-CG2 4.46Å
378E80Confident87.2Confident168 Ų16894 Ų9479%0.78549%0.486SS*.Hα-helixtrans-67.4-18.6177.1-61-155.4154.400113.4L374 E375 L376L374-E378 PolarHBondContact O-N 2.78Å; E375-E378 PolarHBondContact O-N 3.31Å; L376-E378 VanDerWaalsContact C-N 3.33Å; L376-E378 PolarHBondContact O-N 2.85Å
379L82.2Confident86.9Confident138 Ų13899.3 Ų99.372%0.72350%0.503SS*.THydrogen-bonded Turntrans-86.9-8.4174.2-58.5176.1000113.3L376 M377L376-L379 WeakPolarHBondContact O-CB 3.31Å; L376-L379 PolarHBondContact O-N 2.97Å; L376-L379 VanDerWaalsContact O-N 3.15Å; M377-L379 PolarHBondContact O-N 3.49Å
380V83.3Confident86.4Confident46 Ų4698.9 Ų98.928%0.27950%0.503SS..SBendtrans-79.3127.3179.6-173.50000110.3M377 Q382 L384 V385M377-V380 WeakPolarHBondContact O-CB 3.47Å; M377-V380 PolarHBondContact O-N 3.45Å; M377-V380 VanDerWaalsContact O-N 3.09Å; M377-V380 HydrophobicContact SD-CG2 4.46Å; V380-Q382 PolarHBondContact O-N 3.44Å; V380-L384 HydrophobicContact CG1-CB 4.45Å; V380-L384 HydrophobicContact CG1-CD2 4.17Å; V380-V385 HydrophobicContact CB-CG2 4.01Å; V380-V385 HydrophobicContact CG1-CG2 3.59Å
381P85.7Confident86Confident87 Ų87100.4 Ų100.457%0.56551%0.505SS*.  trans-61.3122.4175.7-24.234.7000111.9P383 L384 V385P381-P383 VanDerWaalsContact C-N 3.33Å; P381-P383 VanDerWaalsContact O-N 3.11Å; P381-L384 VanDerWaalsContact O-CB 3.3Å; P381-L384 WeakPolarHBondContact O-CB 3.39Å; P381-L384 PolarHBondContact O-N 2.65Å; P381-V385 PolarHBondContact O-N 3.32Å
382Q80.8Confident85.4Confident111 Ų111102.3 Ų102.352%0.51952%0.516SS..Hα-helixtrans-48.6-39.2-177.1-78.9-60.4114.300116.1V380 L384 V385 D386V380-Q382 PolarHBondContact O-N 3.44Å; Q382-L384 PolarHBondContact O-N 3.31Å; Q382-L384 VanDerWaalsContact O-N 3.15Å; Q382-V385 WeakPolarHBondContact O-CB 3.21Å; Q382-V385 PolarHBondContact O-N 2.97Å; Q382-D386 PolarHBondContact O-N 3.44Å
383P87Confident85Confident103 Ų103103.1 Ų103.167%0.66952%0.52SS*.Hα-helixtrans-57.6-29.7175.8-26.436000114P381 S387P381-P383 VanDerWaalsContact C-N 3.33Å; P381-P383 VanDerWaalsContact O-N 3.11Å; P383-S387 WeakPolarHBondContact O-CB 3.44Å; P383-S387 PolarHBondContact O-N 3.14Å; P383-S387 VanDerWaalsContact O-N 3.11Å
384L84.6Confident84.4Confident83 Ų83105.7 Ų105.744%0.43553%0.525SS..Hα-helixtrans-73.8-45.1174.4-172.764.5000110.8V380 P381 Q382 D386 S387 Y388V380-L384 HydrophobicContact CG1-CB 4.45Å; V380-L384 HydrophobicContact CG1-CD2 4.17Å; P381-L384 VanDerWaalsContact O-CB 3.3Å; P381-L384 WeakPolarHBondContact O-CB 3.39Å; P381-L384 PolarHBondContact O-N 2.65Å; Q382-L384 PolarHBondContact O-N 3.31Å; Q382-L384 VanDerWaalsContact O-N 3.15Å; L384-D386 VanDerWaalsContact C-N 3.33Å; L384-D386 PolarHBondContact O-N 3.1Å; L384-S387 PolarHBondContact O-N 2.88Å; L384-S387 PolarHBondContact O-OG 3.36Å; L384-Y388 HydrophobicContact CD1-CD2 4.37Å; L384-Y388 HydrophobicContact CD1-CE2 3.89Å; L384-Y388 HydrophobicContact CD2-CE2 4.47Å; L384-Y388 HydrophobicContact CG-CD2 4.17Å; L384-Y388 HydrophobicContact CG-CE2 3.89Å; L384-Y388 WeakPolarHBondContact O-CD2 3.47Å; L384-Y388 PolarHBondContact O-N 3.42Å; L384-Y388 VanDerWaalsContact O-N 3.1Å
385V83.8Confident83.7Confident26 Ų26106.6 Ų106.616%0.15853%0.526CS..Hα-helixtrans-56.9-47.3174.9-1760000110.7V380 P381 Q382 S387 Y388 R389V380-V385 HydrophobicContact CB-CG2 4.01Å; V380-V385 HydrophobicContact CG1-CG2 3.59Å; P381-V385 PolarHBondContact O-N 3.32Å; Q382-V385 WeakPolarHBondContact O-CB 3.21Å; Q382-V385 PolarHBondContact O-N 2.97Å; V385-S387 VanDerWaalsContact C-N 3.33Å; V385-S387 PolarHBondContact O-N 3.32Å; V385-Y388 PolarHBondContact O-N 2.76Å; V385-R389 WeakPolarHBondContact O-CG 3.49Å; V385-R389 PolarHBondContact O-N 2.8Å
386D86Confident82.9Confident75 Ų75108.7 Ų108.740%0.40154%0.539SS..Hα-helixtrans-65.2-35.6178.9-67.5-35.8000112Q382 L384 R389 Q390Q382-D386 PolarHBondContact O-N 3.44Å; L384-D386 VanDerWaalsContact C-N 3.33Å; L384-D386 PolarHBondContact O-N 3.1Å; D386-R389 PolarHBondContact O-N 3.17Å; D386-Q390 WeakPolarHBondContact O-CG 3.45Å; D386-Q390 PolarHBondContact O-N 3Å
387S89.1Confident81.8Confident56 Ų56109.9 Ų109.939%0.39255%0.545SS..Hα-helixtrans-63.8-42174.779.10000112.7P383 L384 V385 Q390 Q391P383-S387 WeakPolarHBondContact O-CB 3.44Å; P383-S387 PolarHBondContact O-N 3.14Å; P383-S387 VanDerWaalsContact O-N 3.11Å; L384-S387 PolarHBondContact O-N 2.88Å; L384-S387 PolarHBondContact O-OG 3.36Å; V385-S387 VanDerWaalsContact C-N 3.33Å; V385-S387 PolarHBondContact O-N 3.32Å; S387-Q390 PolarHBondContact O-N 2.6Å; S387-Q391 WeakPolarHBondContact O-CB 3.24Å; S387-Q391 PolarHBondContact O-N 3.1Å
388Y83.3Confident80.7Confident145 Ų145111.9 Ų111.957%0.56955%0.554SS**Hα-helixtrans-66.7-38.4175-80.4-66.9000111.9L384 V385 Q391 Q392L384-Y388 HydrophobicContact CD1-CD2 4.37Å; L384-Y388 HydrophobicContact CD1-CE2 3.89Å; L384-Y388 HydrophobicContact CD2-CE2 4.47Å; L384-Y388 HydrophobicContact CG-CD2 4.17Å; L384-Y388 HydrophobicContact CG-CE2 3.89Å; L384-Y388 WeakPolarHBondContact O-CD2 3.47Å; L384-Y388 PolarHBondContact O-N 3.42Å; L384-Y388 VanDerWaalsContact O-N 3.1Å; V385-Y388 PolarHBondContact O-N 2.76Å; Y388-Q391 PolarHBondContact O-N 3.28Å; Y388-Q392 WeakPolarHBondContact O-CB 3.26Å; Y388-Q392 PolarHBondContact O-N 3.25Å
389R87.1Confident79.3Confident170 Ų170114.1 Ų114.164%0.64256%0.555SS**Hα-helixtrans-63.7-41.9174.7-69-178.975134.25.7111.9V385 D386 Q392 Q393V385-R389 WeakPolarHBondContact O-CG 3.49Å; V385-R389 PolarHBondContact O-N 2.8Å; D386-R389 PolarHBondContact O-N 3.17Å; R389-Q392 PolarHBondContact O-N 3.13Å; R389-Q393 WeakPolarHBondContact O-CB 3.31Å; R389-Q393 PolarHBondContact O-N 3.35Å
390Q84.6Confident77.6Confident117 Ų117112.5 Ų112.555%0.54755%0.552SS.*Hα-helixtrans-64-42.4174-72.1179.724.400111.8D386 S387 Q392 Q393 Q394D386-Q390 WeakPolarHBondContact O-CG 3.45Å; D386-Q390 PolarHBondContact O-N 3Å; S387-Q390 PolarHBondContact O-N 2.6Å; Q390-Q392 VanDerWaalsContact C-N 3.35Å; Q390-Q392 PolarHBondContact O-N 2.76Å; Q390-Q393 PolarHBondContact O-N 2.97Å; Q390-Q394 WeakPolarHBondContact O-CG 3.43Å; Q390-Q394 PolarHBondContact O-N 2.99Å
391Q85.3Confident76Confident102 Ų102115.8 Ų115.848%0.47758%0.577SS.*Hα-helixtrans-60.6-43176.2-168.9-177.226.900111.9S387 Y388 Q394 Q395S387-Q391 WeakPolarHBondContact O-CB 3.24Å; S387-Q391 PolarHBondContact O-N 3.1Å; Y388-Q391 PolarHBondContact O-N 3.28Å; Q391-Q394 PolarHBondContact O-N 3.12Å; Q391-Q395 PolarHBondContact O-N 2.96Å; Q391-Q395 VanDerWaalsContact O-N 3.11Å
392Q82.3Confident74Confident129 Ų129120.4 Ų120.460%0.60359%0.591SS**Hα-helixtrans-66.2-39176.5-165.9177.335.900112Y388 R389 Q390 Q395 L396Y388-Q392 WeakPolarHBondContact O-CB 3.26Å; Y388-Q392 PolarHBondContact O-N 3.25Å; R389-Q392 PolarHBondContact O-N 3.13Å; Q390-Q392 VanDerWaalsContact C-N 3.35Å; Q390-Q392 PolarHBondContact O-N 2.76Å; Q392-Q395 PolarHBondContact O-N 3.16Å; Q392-L396 PolarHBondContact O-N 2.8Å; Q392-L396 VanDerWaalsContact O-N 3.1Å
393Q82Confident72.2Confident123 Ų123123.1 Ų123.158%0.57561%0.608SS**Hα-helixtrans-66.6-37175.8-165.5170.918.700112.2R389 Q390 Q395 L396 L397R389-Q393 WeakPolarHBondContact O-CB 3.31Å; R389-Q393 PolarHBondContact O-N 3.35Å; Q390-Q393 PolarHBondContact O-N 2.97Å; Q393-Q395 VanDerWaalsContact C-N 3.35Å; Q393-L396 PolarHBondContact O-N 3.33Å; Q393-L397 HydrophobicContact CG-CD1 4.32Å; Q393-L397 WeakPolarHBondContact O-CG 3.14Å; Q393-L397 PolarHBondContact O-N 2.97Å
394Q79.5Confident69.7Low118 Ų118127 Ų12755%0.55162%0.618SS**Hα-helixtrans-68.1-29.2173.7-73.4179.511.200113.3Q390 Q391 Q398Q390-Q394 WeakPolarHBondContact O-CG 3.43Å; Q390-Q394 PolarHBondContact O-N 2.99Å; Q391-Q394 PolarHBondContact O-N 3.12Å; Q394-Q398 WeakPolarHBondContact O-CG 3.4Å; Q394-Q398 PolarHBondContact O-NE2 3.37Å
395Q75Confident67.9Low132 Ų132129.2 Ų129.262%0.61764%0.637SS**Hα-helixtrans-70.7-42.1170.5-70.7-17730.600111.6Q391 Q392 Q393 L397 Q398Q391-Q395 PolarHBondContact O-N 2.96Å; Q391-Q395 VanDerWaalsContact O-N 3.11Å; Q392-Q395 PolarHBondContact O-N 3.16Å; Q393-Q395 VanDerWaalsContact C-N 3.35Å; Q395-L397 VanDerWaalsContact C-N 3.34Å; Q395-L397 PolarHBondContact O-N 2.79Å; Q395-Q398 PolarHBondContact O-N 2.79Å
396L69.9Low65.7Low134 Ų134133.8 Ų133.870%0.70267%0.667SS**Hα-helixtrans-63-38.4177-76163000112.6Q392 Q393 Q398 R399Q392-L396 PolarHBondContact O-N 2.8Å; Q392-L396 VanDerWaalsContact O-N 3.1Å; Q393-L396 PolarHBondContact O-N 3.33Å; L396-Q398 PolarHBondContact O-N 3.05Å; L396-R399 PolarHBondContact O-N 2.83Å
397L64.3Low63.1Low139 Ų139135.3 Ų135.373%0.72868%0.683SS**THydrogen-bonded Turntrans-68.7-15.6177-77.9163.5000114.4Q393 Q395Q393-L397 HydrophobicContact CG-CD1 4.32Å; Q393-L397 WeakPolarHBondContact O-CG 3.14Å; Q393-L397 PolarHBondContact O-N 2.97Å; Q395-L397 VanDerWaalsContact C-N 3.34Å; Q395-L397 PolarHBondContact O-N 2.79Å
398Q59.6Low60.4Low148 Ų148143.8 Ų143.869%0.69271%0.708SS**THydrogen-bonded Turntrans-92.62-179.6-79.5175.289.700114.2Q394 Q395 L396 P400Q394-Q398 WeakPolarHBondContact O-CG 3.4Å; Q394-Q398 PolarHBondContact O-NE2 3.37Å; Q395-Q398 PolarHBondContact O-N 2.79Å; L396-Q398 PolarHBondContact O-N 3.05Å; Q398-P400 VanDerWaalsContact O-CD 3.3Å; Q398-P400 WeakPolarHBondContact O-CD 3.19Å
399R50Low58Low214 Ų214140.4 Ų140.481%0.80872%0.718SS**SBendtrans-84.3113.3176.2-170.2175-174.5169.72.6110.9L396 S401L396-R399 PolarHBondContact O-N 2.83Å; R399-S401 PolarHBondContact O-N 3.31Å
400P47.3Very low56.2Low104 Ų104138.2 Ų138.268%0.67573%0.726SS**  trans-66.5128.7-177.3-20.634.3000112.1Q398 H402Q398-P400 VanDerWaalsContact O-CD 3.3Å; Q398-P400 WeakPolarHBondContact O-CD 3.19Å; P400-H402 PolarHBondContact O-N 3.38Å
401S49.9Very low53.8Low115 Ų115138.8 Ų138.880%0.80474%0.737SS**  trans-83.672.1-176.7-55.20000112.8R399R399-S401 PolarHBondContact O-N 3.31Å
402H42.2Very low51.2Low185 Ų185141.8 Ų141.886%0.85676%0.755SS**  trans-91.2105.7169.6-85.6-84.3000111.7P400P400-H402 PolarHBondContact O-N 3.38Å
403L42.8Very low48.9Very low168 Ų168141.3 Ų141.388%0.8877%0.766SS**  trans-95.8110.1174.9-73.2166.6000111.1
404Q35.1Very low47Very low185 Ų185141.6 Ų141.686%0.86478%0.779SS**  trans-151134.9152.7-79.1-157.3-2400110.7
405P47.1Very low44.7Very low129 Ų129144 Ų14484%0.83879%0.792SS**  trans-102.2140.5170.836.1-29.7000112.4
406P37.6Very low42.6Very low121 Ų121143.8 Ų143.879%0.78680%0.795SS**  trans-135.5127.8151.432.6-16.9000114.8
407S31.4Very low40.8Very low107 Ų107147.3 Ų147.375%0.74881%0.805SS**  trans14.9139.9141.1-168.40000122.4
408Y33Very low39.2Very low234 Ų234146.6 Ų146.692%0.91881%0.806SS**  trans2.1124.9146.7-74.7-97.4000118.8
409G31.1Very low37.9Very low75 Ų75148.7 Ų148.777%0.77382%0.815SS**  trans174.6137.1161.900000112.8
410P49.4Very low36.8Very low123 Ų123142.1 Ų142.180%0.79982%0.815SS**  trans-100.1151-172.837.1-34.4000115.5
411V34.3Very low36Very low130 Ų130140.5 Ų140.579%0.78882%0.816SS**  trans55.7114.3147.1179.70000118.9
412L31.8Very low35.3Very low164 Ų164141.5 Ų141.586%0.85982%0.817SS**  176.7142.7120.4-94.7-178.2000111.6
413S34Very low34.8Very low119 Ų119140.5 Ų140.583%0.83282%0.818SS**  trans-95.6143.6173.3-52.40000112.1
414P42.2Very low34.3Very low129 Ų129141.7 Ų141.784%0.83882%0.817SS**  trans-111.1154.5153.9-1.923.4000112.7
415M30.5Very low34.3Very low168 Ų168140.8 Ų140.883%0.82882%0.817SS**  trans-89.2163.6-172.9-57174.983.500114.9
416N31.4Very low33.7Very low129 Ų129140.5 Ų140.569%0.6982%0.815SS**  trans63.1117.7142.9-81.2-37.2000120.1
417K31.2Very low33.4Very low207 Ų207140.4 Ų140.490%0.982%0.817SS**  -164.6150.994.2-105168.3-175.6174.40114.2
418V31.8Very low33.6Very low124 Ų124141.4 Ų141.475%0.75282%0.818SS**  trans-63.8143.4171.2169.60000111.3
419H30.7Very low33.4Very low192 Ų192137.5 Ų137.589%0.88981%0.813SS**  trans-147137.5138.7-100.974000108.9
420G28.6Very low33.3Very low77 Ų77143 Ų14379%0.79482%0.819SS**  trans-92.3149.7177.500000112.2
421G29.2Very low32.5Very low69 Ų69145.2 Ų145.271%0.71182%0.823SS**  trans-162.9107.5177.400000112
422V36Very low32.5Very low136 Ų136146.4 Ų146.482%0.82483%0.83SS**  trans-69.8137.1173.3-76.30000110.9
423N31.6Very low32.3Very low164 Ų164142.3 Ų142.388%0.87783%0.828SS**  trans-124.9107.6164.2-84.1-62.2000109.2
424K32Very low32.1Very low194 Ų194145.3 Ų145.384%0.84383%0.829SS**PPolyproline II helixtrans-86.2152.2170.7-71.2-177.4176-179.10109.7
425L34.8Very low31.9Very low166 Ų166144.5 Ų144.587%0.86982%0.823SS**PPolyproline II helixtrans-58.8143.2165.3-68.2161.9000110.3
426P35.4Very low32.7Very low123 Ų123141 Ų14180%0.79981%0.813SS**PPolyproline II helixtrans-68.9140.6174.729.1-34000111
427S31.2Very low32.9Very low118 Ų118140.9 Ų140.983%0.82582%0.82SS**PPolyproline II helixtrans-93.1145179.5-170.40000111.7
428V34.6Very low32.8Very low128 Ų128139.2 Ų139.278%0.77682%0.815SS**  trans-91.9110.1175.5177.20000109.7
429N30.2Very low32.5Very low152 Ų152138.7 Ų138.781%0.81382%0.817SS**  trans-179.7114.7143.7-102-45.3000112.2
430Q29.2Very low32.4Very low190 Ų190135 Ų13589%0.88881%0.812SS**  trans-170.7106.6151.8-118.3171.290.300111.8
431L32.6Very low32.3Very low171 Ų171136.2 Ų136.290%0.89582%0.815SS**  -166.3131.8129.4-131.678.6000110.3
432V32.5Very low32.3Very low154 Ų154138 Ų13893%0.93382%0.823SS**  trans-141127.5171.2170.80000106.7
433G28.5Very low31.8Very low79 Ų79134.9 Ų134.981%0.81482%0.818SS**  trans-178.381.1-171.900000115.5
434Q29.8Very low32.6Very low182 Ų182132.7 Ų132.785%0.8581%0.813SS**  trans-50.2175.9168-86.6-166.44.100117.5
435P38.5Very low32.3Very low111 Ų111129.9 Ų129.972%0.72181%0.807SS**  cis-138.8-129.1-32.143.6-22.6000112.6
436P46.7Very low32Very low94 Ų94129.9 Ų129.961%0.6181%0.807SS**  trans-128.6-168.3-14740.7-16000116.1
437P34.9Very low31.7Very low128 Ų128127.5 Ų127.583%0.83181%0.805SS**  trans-118.8169.3144.735.8-27.4000113.2
438H30Very low32.2Very low171 Ų171127.5 Ų127.579%0.79280%0.802SS**  trans-111.2175-162.7-79.3-107.2000115.5
439S24.8Very low32.1Very low114 Ų114130.8 Ų130.880%0.79781%0.811SS**  trans93.5155.4151.180.80000119.4
440S29.4Very low31.9Very low114 Ų114126.8 Ų126.880%0.79781%0.807SS**  cis-170.9140.6-43.6-98.80000110.9
441A27.2Very low31.8Very low102 Ų102124.3 Ų124.384%0.84381%0.81SS**  trans44.2120.3152.100000122.3
442A27.8Very low31.5Very low106 Ų106120.1 Ų120.188%0.87681%0.808SS**  -178.1150.812900000112.8
443G26.2Very low31.3Very low71 Ų71120.8 Ų120.873%0.73280%0.803SS**  trans-125.4-150156.300000108.5
444P48.2Very low31.3Very low119 Ų119124.3 Ų124.377%0.77380%0.802SS**  cis-132.6-177.8-16.242.4-27000113.2
445N25.8Very low31.1Very low135 Ų135122.8 Ų122.872%0.72280%0.8SS**  trans165.5134146-89-42.5000109.6
446L29.1Very low30.4Very low166 Ų166121.9 Ų121.987%0.86980%0.797SS**  53.8120.373.2-54.6-177000111.8
447G27.9Very low29.7Very low73 Ų73126.7 Ų126.775%0.75381%0.811SS**  cis144-169.821.400000106.7
448P42.8Very low29.4Very low117 Ų117124.1 Ų124.176%0.7681%0.807SS**  cis-134.7175.6-2842.8-27.4000114.3
449M31.5Very low29.5Very low197 Ų197125.4 Ų125.497%0.9781%0.813SS**  trans57.2155.6157-69.6177.1167.900120.9
450G27.2Very low29.6Very low69 Ų69125.5 Ų125.571%0.71181%0.814SS**  cis166142.3-11.900000114.5
451S27.3Very low29.8Very low138 Ų138128.4 Ų128.497%0.96582%0.817SS**  trans55136.6158.8-57.80000122.7
452G26.5Very low30.7Very low83 Ų83129.3 Ų129.386%0.85682%0.815SS**  trans174.475.5171.100000119.7
453M27.8Very low30.8Very low167 Ų167129.1 Ų129.182%0.82381%0.813SS**  trans-28.1144.4173-66.7162.964.600123
454L27.9Very low31Very low153 Ų153133.5 Ų133.580%0.80182%0.82SS**  trans53.8123.3135-60.5174.9000123.9
455N25Very low30.2Very low150 Ų150130.5 Ų130.580%0.80281%0.81SS**  -166116.1122.9-134.213.4000108.7
456S24.9Very low30.4Very low93 Ų93133.1 Ų133.165%0.6582%0.818SS**  55.4122.875.5-156.70000115.6
457H32.2Very low30.8Very low194 Ų194133.1 Ų133.190%0.89882%0.816SS**  trans-142.1126.2157.6-94.750.9000106.9
458G28.1Very low31Very low74 Ų74138 Ų13876%0.76383%0.825SS**  trans-110.9157-176.900000113
459H31.3Very low30.3Very low198 Ų198136 Ų13692%0.91783%0.825SS**  trans-103.9149167.9-74.8-75.4000111
460S27.7Very low30.2Very low116 Ų116130.4 Ų130.481%0.81182%0.818SS**  trans-83.6142.7-169.852.80000114.3
461M32.5Very low30.5Very low175 Ų175136.5 Ų136.586%0.86283%0.828SS**  trans-106.3144.7163.2-69.2-79.1-79.300110
462P46.6Very low30.5Very low122 Ų122135.8 Ų135.879%0.79282%0.823SS**  trans-79.5151.9155.634.5-31.4000110
463A30.8Very low30.8Very low102 Ų102137.3 Ų137.384%0.84382%0.82SS**  trans-112.6150.6178.200000111.6
464N30.2Very low31Very low163 Ų163138.4 Ų138.487%0.87282%0.823SS**  trans-153159.2138.9-152.935.9000109.2
465G31.7Very low31Very low56 Ų56137.3 Ų137.358%0.57782%0.823SS**  trans-164.7160.4177.600000112.5
466E29.7Very low31.4Very low189 Ų189139.3 Ų139.388%0.88383%0.83SS**  trans-142.2160.1174.1-89.2178.7109.700109.7
467M37Very low31.7Very low166 Ų166141.1 Ų141.182%0.81884%0.837SS**  trans-128.1136-161.3-50.285.972.300113.4
468N32.1Very low32Very low176 Ų176138.1 Ų138.194%0.94184%0.838SS**  trans175.1151.3150.1-94.7-52.9000108.3
469G29Very low32.1Very low75 Ų75137.8 Ų137.877%0.77383%0.834SS**  cis153.1102.8-5.400000111.6
470G28Very low32.1Very low79 Ų79133.5 Ų133.581%0.81483%0.826SS**  trans156.613417400000115
471H34.2Very low32.3Very low198 Ų198137 Ų13792%0.91783%0.829SS**  trans-119.5142.1176.6-85.8-84.4000111.4
472S28.2Very low32.5Very low123 Ų123133.8 Ų133.886%0.8682%0.823SS**  trans-142.6135.5163.8-74.30000112
473S32.7Very low31.9Very low115 Ų115134.2 Ų134.280%0.80482%0.824SS**  trans-5.2120170.7-38.20000121.8
474Q31.4Very low32.2Very low189 Ų189134.9 Ų134.988%0.88382%0.819SS**  trans26.5131.5134.1-55.6-176.511.700121.8
475T28.2Very low32.6Very low130 Ų130131.2 Ų131.280%0.79880%0.804SS**  -159.4140.9115-72.20000108.7V477T475-V477 HydrophobicContact CG2-CG2 4.42Å
476M32.1Very low33Very low192 Ų192133.5 Ų133.595%0.94681%0.809SS**  trans-94.9126.4174.1-72-169.8-179.700111.5
477V32.3Very low33.9Very low132 Ų132129.4 Ų129.480%0.880%0.799SS**  trans-140130.7161.3-178.80000107.9T475 G479T475-V477 HydrophobicContact CG2-CG2 4.42Å; V477-G479 PolarHBondContact O-N 2.96Å
478S38.6Very low34.6Very low131 Ų131127.9 Ų127.992%0.91679%0.785SS**  trans-71.8118.7174.2-62.70000110.5
479G29.5Very low36Very low67 Ų67127 Ų12769%0.69178%0.775SS**  trans-133143.8175.300000111.3V477V477-G479 PolarHBondContact O-N 2.96Å
480S32.2Very low38Very low107 Ų107124.6 Ų124.675%0.74875%0.748SS**  trans-70.6138.4179.544.40000111.9C482S480-C482 VanDerWaalsContact C-N 3.35Å; S480-C482 PolarHBondContact O-N 3.43Å
481H32.2Very low40.5Very low189 Ų189123.3 Ų123.388%0.87572%0.722SS**  trans-79.980.1179.416.2-92000111.1
482C35.2Very low42.7Very low109 Ų109118.9 Ų118.974%0.73671%0.711SS**PPolyproline II helixtrans-91.2127.8157.3-69.40000109.1S480S480-C482 VanDerWaalsContact C-N 3.35Å; S480-C482 PolarHBondContact O-N 3.43Å
483T34.4Very low45.3Very low131 Ų131114.9 Ų114.980%0.80468%0.683SS**PPolyproline II helixtrans-64.2133.5169.445.90000110.1
484P37Very low47.8Very low115 Ų115109.4 Ų109.475%0.74765%0.645SS**PPolyproline II helixtrans-65144.2175.328-34.3000110.6
485P39.9Very low50.4Low86 Ų86102.9 Ų102.956%0.55862%0.618SS**PPolyproline II helixtrans-66.3155173.329.4-34.7000111
486P40.3Very low53.1Low104 Ų104100.7 Ų100.768%0.67561%0.608SS**PPolyproline II helixtrans-63.4154.2174.428.7-35.5000111.3Y488P486-Y488 PolarHBondContact O-N 3.18Å
487P48.2Very low55.7Low104 Ų10493 Ų9368%0.67557%0.569SS**PPolyproline II helixtrans-61.7129.2-178.225-34.3000112.1H489P487-H489 PolarHBondContact O-CD2 3.2Å; P487-H489 PolarHBondContact O-N 3.31Å
488Y50.8Low58.3Low133 Ų13386.7 Ų86.752%0.52253%0.531SS..  trans-71.7109.9178.5-62.1-71.2000111.2P486P486-Y488 PolarHBondContact O-N 3.18Å
489H62.6Low60.7Low158 Ų15884 Ų8473%0.73151%0.509SS*.PPolyproline II helixtrans-81.2133.4173.2-70.7-83.4000111P487P487-H489 PolarHBondContact O-CD2 3.2Å; P487-H489 PolarHBondContact O-N 3.31Å
490A69.4Low63.3Low25 Ų2584.2 Ų84.221%0.20751%0.511CS..PPolyproline II helixtrans-66.6143.7173.800000111.9L494 V495 I507 T511A490-L494 HydrophobicContact CB-CD2 4.49Å; A490-V495 HydrophobicContact CB-CG2 3.61Å; A490-I507 HydrophobicContact CB-CG2 3.95Å; A490-T511 HydrophobicContact CB-CG2 3.7Å
491D80.3Confident65.8Low52 Ų5281.4 Ų81.428%0.27849%0.487SS..PPolyproline II helixtrans-59.2131.6166.2178.7-8.3000109.8S493 L494 V495 Q516 S517D491-S493 PolarHBondContact O-N 3.04Å; D491-S493 WeakPolarHBondContact OD1-CB 3.05Å; D491-S493 PolarHBondContact OD1-N 3.41Å; D491-S493 PolarHBondContact OD1-OG 2.96Å; D491-S493 PolarHBondContact OD2-OG 3.25Å; D491-L494 WeakPolarHBondContact O-CB 3.18Å; D491-L494 PolarHBondContact O-N 3.05Å; D491-V495 PolarHBondContact O-N 3.4Å; D491-V495 VanDerWaalsContact O-N 3.12Å; D491-Q516 WeakPolarHBondContact CB-O 3.49Å; D491-Q516 PolarHBondContact N-O 3.27Å; D491-S517 WeakPolarHBondContact OD2-CB 3.48Å; D491-S517 PolarHBondContact OD2-OG 2.99Å
492P81.6Confident68.3Low104 Ų10474.7 Ų74.768%0.67547%0.469SS*.Hα-helixtrans-48.3-27.6170.4-30.136.6000114.8S496P492-S496 WeakPolarHBondContact O-CB 3.47Å; P492-S496 PolarHBondContact O-N 2.87Å
493S82.8Confident70.8Confident40 Ų4069.5 Ų69.528%0.2843%0.434SS..Hα-helixtrans-63.4-45.7173.779.70000112.6D491 S496 F497D491-S493 PolarHBondContact O-N 3.04Å; D491-S493 WeakPolarHBondContact OD1-CB 3.05Å; D491-S493 PolarHBondContact OD1-N 3.41Å; D491-S493 PolarHBondContact OD1-OG 2.96Å; D491-S493 PolarHBondContact OD2-OG 3.25Å; S493-S496 PolarHBondContact O-N 2.99Å; S493-F497 WeakPolarHBondContact O-CB 3.35Å; S493-F497 PolarHBondContact O-N 2.84Å
494L85.2Confident73.1Confident0 Ų065.9 Ų65.90%041%0.413CS..Hα-helixtrans-69-42.3178.6176.761.5000111.3A490 D491 F497 L498 F510 L515 L521A490-L494 HydrophobicContact CB-CD2 4.49Å; D491-L494 WeakPolarHBondContact O-CB 3.18Å; D491-L494 PolarHBondContact O-N 3.05Å; L494-F497 PolarHBondContact O-N 2.84Å; L494-L498 HydrophobicContact CD1-CD1 3.73Å; L494-L498 HydrophobicContact CD1-CG 4.12Å; L494-L498 HydrophobicContact CG-CD1 4.13Å; L494-L498 PolarHBondContact O-N 3.28Å; L494-F510 HydrophobicContact CD2-CB 4.31Å; L494-L515 WeakPolarHBondContact CD2-O 3.2Å; L494-L521 HydrophobicContact CD1-CD1 3.82Å; L494-L521 HydrophobicContact CD1-CD2 3.62Å; L494-L521 HydrophobicContact CD1-CG 4.41Å
495V85.1Confident75.3Confident52 Ų5266.6 Ų66.632%0.31541%0.41SS..Hα-helixtrans-60.6-46.2175.3178.60000110.6A490 D491 T499 I507A490-V495 HydrophobicContact CB-CG2 3.61Å; D491-V495 PolarHBondContact O-N 3.4Å; D491-V495 VanDerWaalsContact O-N 3.12Å; V495-T499 VanDerWaalsContact O-CB 3.22Å; V495-T499 WeakPolarHBondContact O-CB 3.44Å; V495-T499 PolarHBondContact O-N 2.64Å; V495-T499 PolarHBondContact O-OG1 3.23Å; V495-I507 HydrophobicContact CB-CD1 4.31Å; V495-I507 HydrophobicContact CG1-CD1 4.01Å; V495-I507 HydrophobicContact CG2-CD1 4.26Å
496S85.3Confident77.4Confident83 Ų8362.5 Ų62.558%0.5838%0.384SS*.Hα-helixtrans-62.1-44.5178.1-170.60000111.9P492 S493 T499 G500P492-S496 WeakPolarHBondContact O-CB 3.47Å; P492-S496 PolarHBondContact O-N 2.87Å; S493-S496 PolarHBondContact O-N 2.99Å; S496-T499 PolarHBondContact O-N 3.21Å; S496-G500 PolarHBondContact O-N 2.87Å
497F87.4Confident79.5Confident31 Ų3159 Ų5914%0.13636%0.359CS..Hα-helixtrans-62-53.1178.7175.5-106.7000112.8S493 L494 T499 G500 L501 I518 L546S493-F497 WeakPolarHBondContact O-CB 3.35Å; S493-F497 PolarHBondContact O-N 2.84Å; L494-F497 PolarHBondContact O-N 2.84Å; F497-T499 VanDerWaalsContact C-N 3.31Å; F497-T499 PolarHBondContact O-N 2.76Å; F497-G500 PolarHBondContact O-N 3.29Å; F497-L501 HydrophobicContact CD1-CD1 4.23Å; F497-L501 HydrophobicContact CD2-CD1 4.38Å; F497-L501 HydrophobicContact CE1-CD1 3.71Å; F497-L501 HydrophobicContact CE2-CD1 3.88Å; F497-L501 HydrophobicContact CZ-CD1 3.52Å; F497-L501 WeakPolarHBondContact O-CG 3.34Å; F497-L501 PolarHBondContact O-N 3.2Å; F497-I518 HydrophobicContact CB-CD1 3.78Å; F497-I518 HydrophobicContact CD1-CD1 4.3Å; F497-I518 HydrophobicContact CD1-CG1 4.46Å; F497-I518 HydrophobicContact CD2-CD1 3.85Å; F497-I518 HydrophobicContact CE2-CD1 4.49Å; F497-I518 HydrophobicContact CG-CD1 3.73Å; F497-I518 HydrophobicContact CG-CG1 4.37Å; F497-L546 HydrophobicContact CE1-CD2 3.69Å; F497-L546 HydrophobicContact CE1-CG 4.13Å; F497-L546 HydrophobicContact CZ-CD2 3.65Å; F497-L546 HydrophobicContact CZ-CG 3.95Å
498L87.3Confident81.1Confident0 Ų061.3 Ų61.30%036%0.361CS..Hα-helixtrans-68.6-30-179.6-67.2172.4000112.6L494 G502 C503 I507 F510 I542L494-L498 HydrophobicContact CD1-CD1 3.73Å; L494-L498 HydrophobicContact CD1-CG 4.12Å; L494-L498 HydrophobicContact CG-CD1 4.13Å; L494-L498 PolarHBondContact O-N 3.28Å; L498-G502 PolarHBondContact O-N 2.64Å; L498-C503 CarbonylContact O-C 3.43Å; L498-C503 PolarHBondContact O-N 3.09Å; L498-C503 PolarHBondContact O-SG 3.39Å; L498-C503 VanDerWaalsContact O-SG 3.38Å; L498-I507 HydrophobicContact CB-CG1 4.06Å; L498-I507 HydrophobicContact CD1-CB 4.42Å; L498-I507 HydrophobicContact CD1-CG1 3.69Å; L498-F510 HydrophobicContact CD1-CD2 3.53Å; L498-F510 HydrophobicContact CD1-CE2 3.75Å; L498-F510 HydrophobicContact CD2-CE2 3.94Å; L498-I542 HydrophobicContact CD2-CD1 4.13Å; L498-I542 HydrophobicContact CD2-CG1 4.06Å; L498-I542 HydrophobicContact CD2-CG2 4.45Å
499T87.2Confident82.7Confident75 Ų7556 Ų5646%0.4634%0.343SS..Hα-helixtrans-68.9-42.3171.2-55.20000111.4V495 S496 F497 L501 G502V495-T499 VanDerWaalsContact O-CB 3.22Å; V495-T499 WeakPolarHBondContact O-CB 3.44Å; V495-T499 PolarHBondContact O-N 2.64Å; V495-T499 PolarHBondContact O-OG1 3.23Å; S496-T499 PolarHBondContact O-N 3.21Å; F497-T499 VanDerWaalsContact C-N 3.31Å; F497-T499 PolarHBondContact O-N 2.76Å; T499-L501 VanDerWaalsContact C-N 3.27Å; T499-L501 PolarHBondContact O-N 2.9Å; T499-G502 PolarHBondContact O-N 2.84Å
500G84.9Confident83.7Confident70 Ų7048.5 Ų48.572%0.72231%0.308SS*.Hα-helixtrans-64.2-28.9175.900000113.8S496 F497 G502S496-G500 PolarHBondContact O-N 2.87Å; F497-G500 PolarHBondContact O-N 3.29Å; G500-G502 VanDerWaalsContact C-N 3.29Å
501L85.5Confident84.3Confident48 Ų4848.3 Ų48.325%0.25131%0.305SS..THydrogen-bonded Turntrans-85.17.5171.1-65.1178.4000113.9F497 T499 C503F497-L501 HydrophobicContact CD1-CD1 4.23Å; F497-L501 HydrophobicContact CD2-CD1 4.38Å; F497-L501 HydrophobicContact CE1-CD1 3.71Å; F497-L501 HydrophobicContact CE2-CD1 3.88Å; F497-L501 HydrophobicContact CZ-CD1 3.52Å; F497-L501 WeakPolarHBondContact O-CG 3.34Å; F497-L501 PolarHBondContact O-N 3.2Å; T499-L501 VanDerWaalsContact C-N 3.27Å; T499-L501 PolarHBondContact O-N 2.9Å; L501-C503 VanDerWaalsContact C-N 3.27Å; L501-C503 PolarHBondContact O-N 3.43Å
502G84.1Confident84.2Confident49 Ų4950.3 Ų50.351%0.50532%0.323SS..THydrogen-bonded Turntrans68.718.9176.900000115.2L498 T499 G500L498-G502 PolarHBondContact O-N 2.64Å; T499-G502 PolarHBondContact O-N 2.84Å; G500-G502 VanDerWaalsContact C-N 3.29Å
503C86.8Confident83.9Confident0 Ų050.4 Ų50.40%031%0.314CS..  trans-127.846.1-175.455.50000114.1L498 L501 N505 C506 Y538 I542L498-C503 CarbonylContact O-C 3.43Å; L498-C503 PolarHBondContact O-N 3.09Å; L498-C503 PolarHBondContact O-SG 3.39Å; L498-C503 VanDerWaalsContact O-SG 3.38Å; L501-C503 VanDerWaalsContact C-N 3.27Å; L501-C503 PolarHBondContact O-N 3.43Å; C503-N505 PolarHBondContact O-N 2.68Å; C503-N505 VanDerWaalsContact O-N 3.13Å; C503-C506 WeakPolarHBondContact O-CB 3.49Å; C503-C506 PolarHBondContact O-N 3.43Å; C503-Y538 HydrophobicContact CB-CD1 3.69Å; C503-Y538 HydrophobicContact CB-CD2 4.34Å; C503-Y538 HydrophobicContact CB-CE1 4.03Å; C503-Y538 HydrophobicContact CB-CG 3.87Å; C503-I542 HydrophobicContact CB-CD1 4.48Å
504P83.1Confident83.4Confident54 Ų5449.7 Ų49.735%0.35131%0.314SS..G310 helixtrans-59.5-29.3-177.527.2-36000113.2C506 I507P504-C506 PolarHBondContact O-N 2.67Å; P504-I507 HydrophobicContact CB-CD1 4.23Å; P504-I507 WeakPolarHBondContact O-CB 3.35Å; P504-I507 VanDerWaalsContact O-CD1 3.29Å; P504-I507 WeakPolarHBondContact O-CD1 3.4Å; P504-I507 WeakPolarHBondContact O-CG1 3.35Å; P504-I507 PolarHBondContact O-N 3.28Å
505N83.9Confident83.2Confident130 Ų13051.2 Ų51.270%0.69532%0.321SS*.G310 helixtrans-61.7-15.3176-58.7-3.4000113.2C503C503-N505 PolarHBondContact O-N 2.68Å; C503-N505 VanDerWaalsContact O-N 3.13Å
506C83.4Confident82.9Confident1 Ų151.6 Ų51.61%0.00732%0.32CS..G310 helixtrans-82.8-8.8175.3-59.50000113.3C503 P504 E508 C509 F510 Y538 I542C503-C506 WeakPolarHBondContact O-CB 3.49Å; C503-C506 PolarHBondContact O-N 3.43Å; P504-C506 PolarHBondContact O-N 2.67Å; C506-E508 PolarHBondContact O-N 3.01Å; C506-C509 WeakPolarHBondContact O-CB 3.49Å; C506-C509 PolarHBondContact O-N 3.39Å; C506-F510 HydrophobicContact CB-CE2 4.13Å; C506-F510 WeakPolarHBondContact O-CD2 3.38Å; C506-Y538 VanDerWaalsContact SG-CD2 3.52Å; C506-I542 HydrophobicContact CB-CD1 4.13Å
507I84.8Confident82.7Confident30 Ų3048.7 Ų48.715%0.15430%0.3CS..Hα-helixtrans-56.5-39.9-178.5-68.6162.6000111.2A490 V495 L498 P504 C509 F510 T511A490-I507 HydrophobicContact CB-CG2 3.95Å; V495-I507 HydrophobicContact CB-CD1 4.31Å; V495-I507 HydrophobicContact CG1-CD1 4.01Å; V495-I507 HydrophobicContact CG2-CD1 4.26Å; L498-I507 HydrophobicContact CB-CG1 4.06Å; L498-I507 HydrophobicContact CD1-CB 4.42Å; L498-I507 HydrophobicContact CD1-CG1 3.69Å; P504-I507 HydrophobicContact CB-CD1 4.23Å; P504-I507 WeakPolarHBondContact O-CB 3.35Å; P504-I507 VanDerWaalsContact O-CD1 3.29Å; P504-I507 WeakPolarHBondContact O-CD1 3.4Å; P504-I507 WeakPolarHBondContact O-CG1 3.35Å; P504-I507 PolarHBondContact O-N 3.28Å; I507-C509 VanDerWaalsContact C-N 3.31Å; I507-C509 PolarHBondContact O-N 3.18Å; I507-F510 PolarHBondContact O-N 3.41Å; I507-T511 HydrophobicContact CG2-CG2 4.21Å; I507-T511 PolarHBondContact O-N 3.25Å; I507-T511 PolarHBondContact O-OG1 2.97Å
508E81.3Confident82.2Confident152 Ų15248.2 Ų48.271%0.7130%0.298SS*.Hα-helixtrans-65.9-30.1178-62.7-174.1172.900113.2C506 F510 T511 S512C506-E508 PolarHBondContact O-N 3.01Å; E508-F510 VanDerWaalsContact C-N 3.27Å; E508-F510 PolarHBondContact O-N 3.02Å; E508-T511 WeakPolarHBondContact CA-OG1 3.14Å; E508-S512 WeakPolarHBondContact O-CB 3.39Å; E508-S512 PolarHBondContact O-N 3.41Å; E508-S512 PolarHBondContact O-OG 3.32Å
509C84.1Confident81.7Confident22 Ų2255.2 Ų55.215%0.14933%0.326CS..Hα-helixtrans-62.7-34174.2-57.20000112C506 I507 S512 L532 V534C506-C509 WeakPolarHBondContact O-CB 3.49Å; C506-C509 PolarHBondContact O-N 3.39Å; I507-C509 VanDerWaalsContact C-N 3.31Å; I507-C509 PolarHBondContact O-N 3.18Å; C509-S512 PolarHBondContact O-OG 3.12Å; C509-L532 WeakPolarHBondContact CB-O 3.29Å; C509-V534 HydrophobicContact CB-CG2 3.99Å
510F83.3Confident81.1Confident0 Ų056.8 Ų56.80%033%0.327CS..Hα-helixtrans-85.3-47.1178.4-63.1-78000111.9L494 L498 C506 I507 E508 S512 Q513 G514 L515 L521 L524 L529 L532 V534 I542L494-F510 HydrophobicContact CD2-CB 4.31Å; L498-F510 HydrophobicContact CD1-CD2 3.53Å; L498-F510 HydrophobicContact CD1-CE2 3.75Å; L498-F510 HydrophobicContact CD2-CE2 3.94Å; C506-F510 HydrophobicContact CB-CE2 4.13Å; C506-F510 WeakPolarHBondContact O-CD2 3.38Å; I507-F510 PolarHBondContact O-N 3.41Å; E508-F510 VanDerWaalsContact C-N 3.27Å; E508-F510 PolarHBondContact O-N 3.02Å; F510-S512 VanDerWaalsContact C-N 3.35Å; F510-S512 PolarHBondContact O-N 3.07Å; F510-Q513 PolarHBondContact O-N 2.95Å; F510-G514 PolarHBondContact O-N 3Å; F510-L515 HydrophobicContact CB-CB 4.07Å; F510-L515 HydrophobicContact CD1-CB 4.47Å; F510-L515 HydrophobicContact CD1-CD1 4.04Å; F510-L515 WeakPolarHBondContact O-CB 3.32Å; F510-L515 PolarHBondContact O-N 3.44Å; F510-L521 HydrophobicContact CD1-CD1 4.33Å; F510-L521 HydrophobicContact CD1-CD2 3.7Å; F510-L521 HydrophobicContact CD1-CG 3.92Å; F510-L521 HydrophobicContact CE1-CD2 3.58Å; F510-L521 HydrophobicContact CE1-CG 4.02Å; F510-L521 HydrophobicContact CE2-CD2 4.45Å; F510-L521 HydrophobicContact CG-CD2 4.21Å; F510-L521 HydrophobicContact CZ-CD2 4Å; F510-L524 HydrophobicContact CD1-CD1 4.37Å; F510-L524 HydrophobicContact CE1-CD1 3.9Å; F510-L529 HydrophobicContact CE1-CD2 3.82Å; F510-L529 HydrophobicContact CZ-CD2 3.7Å; F510-L532 HydrophobicContact CD1-CD1 3.64Å; F510-L532 HydrophobicContact CE1-CD1 3.45Å; F510-L532 VanDerWaalsContact CE1-CD1 3.45Å; F510-L532 HydrophobicContact CZ-CD1 4.46Å; F510-V534 HydrophobicContact CE2-CG2 4.23Å; F510-V534 HydrophobicContact CZ-CG2 3.93Å; F510-I542 HydrophobicContact CE2-CD1 4.42Å; F510-I542 HydrophobicContact CZ-CD1 4.47Å; F510-I542 HydrophobicContact CZ-CG2 4.12Å
511T82.2Confident80.6Confident21 Ų2153.4 Ų53.413%0.12929%0.293CS..Hα-helixtrans-67.4-32.8-177.855.80000113.3A490 I507 E508 Q513 G514A490-T511 HydrophobicContact CB-CG2 3.7Å; I507-T511 HydrophobicContact CG2-CG2 4.21Å; I507-T511 PolarHBondContact O-N 3.25Å; I507-T511 PolarHBondContact O-OG1 2.97Å; E508-T511 WeakPolarHBondContact CA-OG1 3.14Å; T511-Q513 PolarHBondContact O-N 3.01Å; T511-G514 PolarHBondContact O-N 3.11Å
512S79Confident79.8Confident94 Ų9453.7 Ų53.766%0.65729%0.293SS*.THydrogen-bonded Turntrans-64.4-18175.658.60000114.1E508 C509 F510E508-S512 WeakPolarHBondContact O-CB 3.39Å; E508-S512 PolarHBondContact O-N 3.41Å; E508-S512 PolarHBondContact O-OG 3.32Å; C509-S512 PolarHBondContact O-OG 3.12Å; F510-S512 VanDerWaalsContact C-N 3.35Å; F510-S512 PolarHBondContact O-N 3.07Å
513Q75Confident79.2Confident106 Ų10657.9 Ų57.950%0.49530%0.304SS..THydrogen-bonded Turntrans-109.319.4171.6-53.5-157.129.200112.5F510 T511 L515 A531 L532F510-Q513 PolarHBondContact O-N 2.95Å; T511-Q513 PolarHBondContact O-N 3.01Å; Q513-L515 PolarHBondContact O-N 3.25Å; Q513-A531 PolarHBondContact NE2-O 2.68Å; Q513-L532 HydrophobicContact CB-CD2 3.97Å; Q513-L532 VanDerWaalsContact CD-CD2 3.41Å; Q513-L532 HydrophobicContact CG-CD2 3.94Å
514G73.4Confident78.9Confident26 Ų2659.3 Ų59.327%0.26831%0.311SS..THydrogen-bonded Turntrans75.21.6175.700000115.5F510 T511 Q516F510-G514 PolarHBondContact O-N 3Å; T511-G514 PolarHBondContact O-N 3.11Å; G514-Q516 PolarHBondContact O-N 3.47Å; G514-Q516 PolarHBondContact O-NE2 3.29Å
515L81.1Confident78.7Confident31 Ų3159.5 Ų59.516%0.16231%0.311CS..  trans-75.672.1179.8-57.7174.9000110.4L494 F510 Q513 H520 L521 L524 L532L494-L515 WeakPolarHBondContact CD2-O 3.2Å; F510-L515 HydrophobicContact CB-CB 4.07Å; F510-L515 HydrophobicContact CD1-CB 4.47Å; F510-L515 HydrophobicContact CD1-CD1 4.04Å; F510-L515 WeakPolarHBondContact O-CB 3.32Å; F510-L515 PolarHBondContact O-N 3.44Å; Q513-L515 PolarHBondContact O-N 3.25Å; L515-H520 HydrophobicContact CD2-CB 3.83Å; L515-L521 HydrophobicContact CB-CD1 4.31Å; L515-L524 HydrophobicContact CD1-CD1 4.25Å; L515-L524 HydrophobicContact CD1-CD2 4.39Å; L515-L532 HydrophobicContact CD1-CD1 3.64Å; L515-L532 HydrophobicContact CD1-CD2 3.69Å; L515-L532 HydrophobicContact CD1-CG 4.32Å
516Q78.9Confident78.5Confident60 Ų6055.9 Ų55.928%0.2829%0.292SS..  trans-85.2-17.7-168.4-74.5156.491.800115D491 G514D491-Q516 WeakPolarHBondContact CB-O 3.49Å; D491-Q516 PolarHBondContact N-O 3.27Å; G514-Q516 PolarHBondContact O-N 3.47Å; G514-Q516 PolarHBondContact O-NE2 3.29Å
517S80.1Confident78.3Confident23 Ų2362.4 Ų62.416%0.16132%0.322CS..SBendtrans-134.3151.7-176.8-1760000112.1D491 Y519 H520 L521D491-S517 WeakPolarHBondContact OD2-CB 3.48Å; D491-S517 PolarHBondContact OD2-OG 2.99Å; S517-Y519 PolarHBondContact O-N 3Å; S517-Y519 VanDerWaalsContact O-N 3.11Å; S517-H520 WeakPolarHBondContact O-CB 3.31Å; S517-H520 PolarHBondContact O-N 3.3Å; S517-L521 WeakPolarHBondContact O-CD1 3.37Å
518I77.6Confident78.2Confident21 Ų2164 Ų6411%0.10833%0.331CS..G310 helixtrans-56.8-30.5-171.4-158.8172.1000113.7F497 H520 L521 L549F497-I518 HydrophobicContact CB-CD1 3.78Å; F497-I518 HydrophobicContact CD1-CD1 4.3Å; F497-I518 HydrophobicContact CD1-CG1 4.46Å; F497-I518 HydrophobicContact CD2-CD1 3.85Å; F497-I518 HydrophobicContact CE2-CD1 4.49Å; F497-I518 HydrophobicContact CG-CD1 3.73Å; F497-I518 HydrophobicContact CG-CG1 4.37Å; I518-H520 VanDerWaalsContact C-N 3.26Å; I518-H520 PolarHBondContact O-N 3.06Å; I518-L521 PolarHBondContact O-N 3.23Å; I518-L521 VanDerWaalsContact O-N 3.07Å; I518-L549 HydrophobicContact CD1-CD1 4.42Å; I518-L549 HydrophobicContact CD1-CD2 3.54Å; I518-L549 HydrophobicContact CG1-CD2 3.69Å
519Y77Confident78.2Confident146 Ų14656.7 Ų56.757%0.57330%0.297SS*.G310 helixtrans-63-29.1176.8-62.2-74.8000113.4S517 L521S517-Y519 PolarHBondContact O-N 3Å; S517-Y519 VanDerWaalsContact O-N 3.11Å; Y519-L521 PolarHBondContact O-N 3.31Å
520H72.7Confident78Confident108 Ų10857 Ų5750%0.530%0.304SS..G310 helixtrans-73.6-17.7176.8-59.1176.7000112.3L515 S517 I518L515-H520 HydrophobicContact CD2-CB 3.83Å; S517-H520 WeakPolarHBondContact O-CB 3.31Å; S517-H520 PolarHBondContact O-N 3.3Å; I518-H520 VanDerWaalsContact C-N 3.26Å; I518-H520 PolarHBondContact O-N 3.06Å
521L75.1Confident77.9Confident0 Ų060.3 Ų60.30%033%0.331CS..THydrogen-bonded Turntrans-90.1-16.5-179.5-71.873.1000113.2L494 F510 L515 S517 I518 Y519 N523 L524 L546L494-L521 HydrophobicContact CD1-CD1 3.82Å; L494-L521 HydrophobicContact CD1-CD2 3.62Å; L494-L521 HydrophobicContact CD1-CG 4.41Å; F510-L521 HydrophobicContact CD1-CD1 4.33Å; F510-L521 HydrophobicContact CD1-CD2 3.7Å; F510-L521 HydrophobicContact CD1-CG 3.92Å; F510-L521 HydrophobicContact CE1-CD2 3.58Å; F510-L521 HydrophobicContact CE1-CG 4.02Å; F510-L521 HydrophobicContact CE2-CD2 4.45Å; F510-L521 HydrophobicContact CG-CD2 4.21Å; F510-L521 HydrophobicContact CZ-CD2 4Å; L515-L521 HydrophobicContact CB-CD1 4.31Å; S517-L521 WeakPolarHBondContact O-CD1 3.37Å; I518-L521 PolarHBondContact O-N 3.23Å; I518-L521 VanDerWaalsContact O-N 3.07Å; Y519-L521 PolarHBondContact O-N 3.31Å; L521-N523 PolarHBondContact O-N 2.84Å; L521-L524 HydrophobicContact CB-CD1 3.94Å; L521-L524 HydrophobicContact CG-CD1 3.81Å; L521-L524 PolarHBondContact O-N 3.48Å; L521-L524 VanDerWaalsContact O-N 3.11Å; L521-L546 HydrophobicContact CB-CD1 4.13Å; L521-L546 HydrophobicContact CB-CD2 3.55Å; L521-L546 HydrophobicContact CD2-CD2 4.32Å
522Q69.4Low77.8Confident54 Ų5459.7 Ų59.725%0.25233%0.327SS..THydrogen-bonded Turntrans-64.2-14.7-172.6-69.7179.4-1400115.2L549Q522-L549 HydrophobicContact CG-CD2 4.31Å
523N71.1Confident77.9Confident136 Ų13663.6 Ų63.673%0.72733%0.332SS*.THydrogen-bonded Turntrans-114.25.9179.2-67.7-33.9000113.5L521L521-N523 PolarHBondContact O-N 2.84Å
524L79.4Confident78.4Confident31 Ų3158.6 Ų58.616%0.16231%0.309CS..  trans-72.6132178.7-65173.1000111.4F510 L515 L521 D528 L529 L532F510-L524 HydrophobicContact CD1-CD1 4.37Å; F510-L524 HydrophobicContact CE1-CD1 3.9Å; L515-L524 HydrophobicContact CD1-CD1 4.25Å; L515-L524 HydrophobicContact CD1-CD2 4.39Å; L521-L524 HydrophobicContact CB-CD1 3.94Å; L521-L524 HydrophobicContact CG-CD1 3.81Å; L521-L524 PolarHBondContact O-N 3.48Å; L521-L524 VanDerWaalsContact O-N 3.11Å; L524-D528 HydrophobicContact CB-CB 4.28Å; L524-D528 HydrophobicContact CD2-CB 3.87Å; L524-L529 HydrophobicContact CD1-CD2 4.41Å; L524-L532 HydrophobicContact CD1-CD1 3.75Å; L524-L532 HydrophobicContact CD2-CD1 4.36Å
525T78.9Confident79.1Confident57 Ų5759.9 Ų59.935%0.3531%0.312SS..  trans-79.4173.9169.866.10000111.3E527 D528 L529T525-E527 VanDerWaalsContact C-N 3.28Å; T525-E527 VanDerWaalsContact CB-OE2 3.29Å; T525-E527 WeakPolarHBondContact CB-OE2 3.34Å; T525-E527 PolarHBondContact OG1-OE2 3.45Å; T525-D528 WeakPolarHBondContact CB-OD2 3.29Å; T525-D528 PolarHBondContact N-OD2 3.03Å; T525-D528 PolarHBondContact O-N 3.26Å; T525-D528 PolarHBondContact OG1-N 3.19Å; T525-D528 PolarHBondContact OG1-OD2 2.98Å; T525-L529 PolarHBondContact O-N 2.62Å
526I79.8Confident79.1Confident55 Ų5564 Ų6428%0.28233%0.334SS..Hα-helixtrans-73.3-28.3174.7-174.5170.8000111.1L529 G530 M540 W543I526-L529 PolarHBondContact O-N 2.82Å; I526-G530 PolarHBondContact O-N 2.95Å; I526-M540 HydrophobicContact CD1-SD 3.39Å; I526-M540 WeakPolarHBondContact CD1-SD 3.32Å; I526-W543 HydrophobicContact CB-CG 4.33Å
527E80.3Confident79.3Confident137 Ų13767.9 Ų67.964%0.6435%0.353SS*.Hα-helixtrans-64.7-44.9171.5-62.771.1-16100111T525 L529 G530 A531T525-E527 VanDerWaalsContact C-N 3.28Å; T525-E527 VanDerWaalsContact CB-OE2 3.29Å; T525-E527 WeakPolarHBondContact CB-OE2 3.34Å; T525-E527 PolarHBondContact OG1-OE2 3.45Å; E527-L529 VanDerWaalsContact C-N 3.35Å; E527-L529 PolarHBondContact O-N 3.4Å; E527-G530 VanDerWaalsContact O-CA 3.32Å; E527-G530 WeakPolarHBondContact O-CA 3.36Å; E527-G530 PolarHBondContact O-N 3.47Å; E527-A531 PolarHBondContact O-N 3.13Å
528D82.3Confident79.6Confident63 Ų6369.6 Ų69.634%0.33736%0.356SS..Hα-helixtrans-61.5-41.4175.3-63.4-49.4000111.6L524 T525 G530 A531 L532L524-D528 HydrophobicContact CB-CB 4.28Å; L524-D528 HydrophobicContact CD2-CB 3.87Å; T525-D528 WeakPolarHBondContact CB-OD2 3.29Å; T525-D528 PolarHBondContact N-OD2 3.03Å; T525-D528 PolarHBondContact O-N 3.26Å; T525-D528 PolarHBondContact OG1-N 3.19Å; T525-D528 PolarHBondContact OG1-OD2 2.98Å; D528-G530 PolarHBondContact O-N 3.48Å; D528-A531 CarbonylContact O-C 3.56Å; D528-A531 WeakPolarHBondContact O-CA 3.13Å; D528-A531 WeakPolarHBondContact O-CB 3.36Å; D528-A531 PolarHBondContact O-N 3.05Å; D528-L532 VanDerWaalsContact O-CG 3.31Å; D528-L532 WeakPolarHBondContact O-CG 3.17Å; D528-L532 PolarHBondContact O-N 2.99Å
529L81.9Confident80Confident0 Ų071 Ų710%036%0.36CS..Hα-helixtrans-60.6-26.2173.8-69.8167.1000112.3F510 L524 T525 I526 E527 L532 V534 R539 I542 W543F510-L529 HydrophobicContact CE1-CD2 3.82Å; F510-L529 HydrophobicContact CZ-CD2 3.7Å; L524-L529 HydrophobicContact CD1-CD2 4.41Å; T525-L529 PolarHBondContact O-N 2.62Å; I526-L529 PolarHBondContact O-N 2.82Å; E527-L529 VanDerWaalsContact C-N 3.35Å; E527-L529 PolarHBondContact O-N 3.4Å; L529-L532 HydrophobicContact CD2-CD1 4.4Å; L529-V534 HydrophobicContact CD2-CG2 4.18Å; L529-V534 WeakPolarHBondContact O-CB 3.22Å; L529-V534 PolarHBondContact O-N 3.4Å; L529-R539 HydrophobicContact CB-CB 4.48Å; L529-R539 HydrophobicContact CB-CG 4.17Å; L529-R539 PolarHBondContact O-NE 3.05Å; L529-I542 HydrophobicContact CD1-CG2 4.32Å; L529-I542 HydrophobicContact CD2-CG2 3.9Å; L529-W543 HydrophobicContact CD1-CB 3.75Å; L529-W543 HydrophobicContact CD1-CG 4.44Å
530G79.1Confident80.3Confident29 Ų2969 Ų6930%0.29936%0.357SS..Hα-helixtrans-67.9-50.4166.800000112.8I526 E527 D528 L532 K533I526-G530 PolarHBondContact O-N 2.95Å; E527-G530 VanDerWaalsContact O-CA 3.32Å; E527-G530 WeakPolarHBondContact O-CA 3.36Å; E527-G530 PolarHBondContact O-N 3.47Å; D528-G530 PolarHBondContact O-N 3.48Å; G530-L532 PolarHBondContact O-N 3Å; G530-K533 PolarHBondContact O-N 3.11Å
531A80.6Confident81Confident69 Ų6967 Ų6757%0.5735%0.353SS*.Hα-helixtrans-61.8-29177.300000113.4Q513 E527 D528 K533Q513-A531 PolarHBondContact NE2-O 2.68Å; E527-A531 PolarHBondContact O-N 3.13Å; D528-A531 CarbonylContact O-C 3.56Å; D528-A531 WeakPolarHBondContact O-CA 3.13Å; D528-A531 WeakPolarHBondContact O-CB 3.36Å; D528-A531 PolarHBondContact O-N 3.05Å; A531-K533 PolarHBondContact O-N 3.49Å
532L81.3Confident81.6Confident8 Ų867 Ų674%0.04235%0.353CS..THydrogen-bonded Turntrans-72.70.3172.9-67-179.1000114.3C509 F510 Q513 L515 L524 D528 L529 G530 V534C509-L532 WeakPolarHBondContact CB-O 3.29Å; F510-L532 HydrophobicContact CD1-CD1 3.64Å; F510-L532 HydrophobicContact CE1-CD1 3.45Å; F510-L532 VanDerWaalsContact CE1-CD1 3.45Å; F510-L532 HydrophobicContact CZ-CD1 4.46Å; Q513-L532 HydrophobicContact CB-CD2 3.97Å; Q513-L532 VanDerWaalsContact CD-CD2 3.41Å; Q513-L532 HydrophobicContact CG-CD2 3.94Å; L515-L532 HydrophobicContact CD1-CD1 3.64Å; L515-L532 HydrophobicContact CD1-CD2 3.69Å; L515-L532 HydrophobicContact CD1-CG 4.32Å; L524-L532 HydrophobicContact CD1-CD1 3.75Å; L524-L532 HydrophobicContact CD2-CD1 4.36Å; D528-L532 VanDerWaalsContact O-CG 3.31Å; D528-L532 WeakPolarHBondContact O-CG 3.17Å; D528-L532 PolarHBondContact O-N 2.99Å; L529-L532 HydrophobicContact CD2-CD1 4.4Å; G530-L532 PolarHBondContact O-N 3Å; L532-V534 HydrophobicContact CB-CG2 4.03Å; L532-V534 PolarHBondContact O-N 3.02Å
533K81.5Confident82.4Confident176 Ų17668.1 Ų68.177%0.76536%0.355SS*.THydrogen-bonded Turntrans58.123.5-175.2-57.1-178.7178.4176.70114.3G530 A531G530-K533 PolarHBondContact O-N 3.11Å; A531-K533 PolarHBondContact O-N 3.49Å
534V85.9Confident83.1Confident0 Ų069.5 Ų69.50%035%0.35CS..  trans-63.1132.5173.1177.60000108.4C509 F510 L529 L532 D536 R539 I542C509-V534 HydrophobicContact CB-CG2 3.99Å; F510-V534 HydrophobicContact CE2-CG2 4.23Å; F510-V534 HydrophobicContact CZ-CG2 3.93Å; L529-V534 HydrophobicContact CD2-CG2 4.18Å; L529-V534 WeakPolarHBondContact O-CB 3.22Å; L529-V534 PolarHBondContact O-N 3.4Å; L532-V534 HydrophobicContact CB-CG2 4.03Å; L532-V534 PolarHBondContact O-N 3.02Å; V534-D536 PolarHBondContact O-N 3.38Å; V534-R539 HydrophobicContact CB-CG 4.06Å; V534-R539 HydrophobicContact CG1-CG 3.91Å; V534-R539 VanDerWaalsContact O-CZ 3.25Å; V534-R539 PolarHBondContact O-NE 3.44Å; V534-R539 PolarHBondContact O-NH2 3.44Å; V534-I542 HydrophobicContact CG1-CD1 3.73Å
535P86.6Confident83.4Confident54 Ų5468.4 Ų68.435%0.35135%0.346SS..  trans-58.7137.7177.3-25.534.7000112.2Q537 Y538 R539P535-Q537 HydrophobicContact CB-CG 4.19Å; P535-Q537 PolarHBondContact O-N 2.86Å; P535-Q537 VanDerWaalsContact O-N 3.1Å; P535-Y538 HydrophobicContact CB-CD2 4.01Å; P535-Y538 HydrophobicContact CG-CD2 4.13Å; P535-Y538 PolarHBondContact O-N 2.93Å; P535-R539 PolarHBondContact O-N 3.25Å
536D81.4Confident83.7Confident116 Ų11666.1 Ų66.162%0.6233%0.331SS*.Hα-helixtrans-51.6-40-173.9-61.9-101.2000113V534 Y538 R539V534-D536 PolarHBondContact O-N 3.38Å; D536-Y538 PolarHBondContact O-N 2.97Å; D536-Y538 VanDerWaalsContact O-N 3.11Å; D536-R539 PolarHBondContact O-N 3.32Å; D536-R539 IonicContact OD1-CZ 3.24Å; D536-R539 VanDerWaalsContact OD1-CZ 3.24Å; D536-R539 IonicContact OD1-NH1 2.67Å; D536-R539 PolarHBondContact OD1-NH1 3.41Å; D536-R539 IonicContact OD1-NH2 3.21Å; D536-R539 PolarHBondContact OD1-NH2 3.07Å; D536-R539 IonicContact OD2-CZ 3.61Å; D536-R539 IonicContact OD2-NH1 3.8Å; D536-R539 IonicContact OD2-NH2 2.82Å; D536-R539 PolarHBondContact OD2-NH2 3.1Å
537Q84.1Confident83.8Confident143 Ų14367.2 Ų67.267%0.66834%0.335SS*.Hα-helixtrans-58.6-20.6176.970.6-173.619.100115P535P535-Q537 HydrophobicContact CB-CG 4.19Å; P535-Q537 PolarHBondContact O-N 2.86Å; P535-Q537 VanDerWaalsContact O-N 3.1Å
538Y84.9Confident83.9Confident58 Ų5864.7 Ų64.723%0.22733%0.326CS..Hα-helixtrans-107.3-18.1179.5-61.3-54.1000113.7C503 C506 P535 D536 M540 T541 I542C503-Y538 HydrophobicContact CB-CD1 3.69Å; C503-Y538 HydrophobicContact CB-CD2 4.34Å; C503-Y538 HydrophobicContact CB-CE1 4.03Å; C503-Y538 HydrophobicContact CB-CG 3.87Å; C506-Y538 VanDerWaalsContact SG-CD2 3.52Å; P535-Y538 HydrophobicContact CB-CD2 4.01Å; P535-Y538 HydrophobicContact CG-CD2 4.13Å; P535-Y538 PolarHBondContact O-N 2.93Å; D536-Y538 PolarHBondContact O-N 2.97Å; D536-Y538 VanDerWaalsContact O-N 3.11Å; Y538-M540 PolarHBondContact O-N 2.88Å; Y538-T541 PolarHBondContact O-N 3.34Å; Y538-I542 WeakPolarHBondContact O-CG1 3.32Å; Y538-I542 PolarHBondContact O-N 2.83Å
539R86.8Confident83.6Confident51 Ų5164 Ų6419%0.19232%0.322CS..Hα-helixtrans-57.6-47.7-174.9-66.7-167.7-160.8121.425.5112.6L529 V534 P535 D536 T541 I542 W543L529-R539 HydrophobicContact CB-CB 4.48Å; L529-R539 HydrophobicContact CB-CG 4.17Å; L529-R539 PolarHBondContact O-NE 3.05Å; V534-R539 HydrophobicContact CB-CG 4.06Å; V534-R539 HydrophobicContact CG1-CG 3.91Å; V534-R539 VanDerWaalsContact O-CZ 3.25Å; V534-R539 PolarHBondContact O-NE 3.44Å; V534-R539 PolarHBondContact O-NH2 3.44Å; P535-R539 PolarHBondContact O-N 3.25Å; D536-R539 PolarHBondContact O-N 3.32Å; D536-R539 IonicContact OD1-CZ 3.24Å; D536-R539 VanDerWaalsContact OD1-CZ 3.24Å; D536-R539 IonicContact OD1-NH1 2.67Å; D536-R539 PolarHBondContact OD1-NH1 3.41Å; D536-R539 IonicContact OD1-NH2 3.21Å; D536-R539 PolarHBondContact OD1-NH2 3.07Å; D536-R539 IonicContact OD2-CZ 3.61Å; D536-R539 IonicContact OD2-NH1 3.8Å; D536-R539 IonicContact OD2-NH2 2.82Å; D536-R539 PolarHBondContact OD2-NH2 3.1Å; R539-T541 VanDerWaalsContact C-N 3.34Å; R539-T541 PolarHBondContact O-N 2.83Å; R539-I542 PolarHBondContact O-N 3.49Å; R539-W543 WeakPolarHBondContact O-CB 3.22Å; R539-W543 PolarHBondContact O-N 3.29Å
540M83.8Confident83.2Confident105 Ų10568.8 Ų68.852%0.51734%0.343SS..Hα-helixtrans-63.3-38.4178.9-70.3-58-60.200112.9I526 Y538 W543 R544I526-M540 HydrophobicContact CD1-SD 3.39Å; I526-M540 WeakPolarHBondContact CD1-SD 3.32Å; Y538-M540 PolarHBondContact O-N 2.88Å; M540-W543 HydrophobicContact CE-CE3 4.43Å; M540-R544 WeakPolarHBondContact O-CB 3.31Å; M540-R544 PolarHBondContact O-N 3.37Å
541T87.1Confident82.3Confident66 Ų6672.9 Ų72.941%0.40536%0.355SS..Hα-helixtrans-68.3-45179.4-50.80000111.3Y538 R539 G545Y538-T541 PolarHBondContact O-N 3.34Å; R539-T541 VanDerWaalsContact C-N 3.34Å; R539-T541 PolarHBondContact O-N 2.83Å; T541-G545 PolarHBondContact O-N 3.17Å
542I86.6Confident81.2Confident0 Ų073.7 Ų73.70%036%0.356CS..Hα-helixtrans-66.4-46.7176.9-67.4163.6000110.5L498 C503 C506 F510 L529 V534 Y538 R539 R544 G545 L546L498-I542 HydrophobicContact CD2-CD1 4.13Å; L498-I542 HydrophobicContact CD2-CG1 4.06Å; L498-I542 HydrophobicContact CD2-CG2 4.45Å; C503-I542 HydrophobicContact CB-CD1 4.48Å; C506-I542 HydrophobicContact CB-CD1 4.13Å; F510-I542 HydrophobicContact CE2-CD1 4.42Å; F510-I542 HydrophobicContact CZ-CD1 4.47Å; F510-I542 HydrophobicContact CZ-CG2 4.12Å; L529-I542 HydrophobicContact CD1-CG2 4.32Å; L529-I542 HydrophobicContact CD2-CG2 3.9Å; V534-I542 HydrophobicContact CG1-CD1 3.73Å; Y538-I542 WeakPolarHBondContact O-CG1 3.32Å; Y538-I542 PolarHBondContact O-N 2.83Å; R539-I542 PolarHBondContact O-N 3.49Å; I542-R544 PolarHBondContact O-N 2.87Å; I542-G545 PolarHBondContact O-N 2.94Å; I542-L546 HydrophobicContact CG2-CD1 3.91Å; I542-L546 HydrophobicContact CG2-CG 4.41Å; I542-L546 VanDerWaalsContact O-CG 3.32Å; I542-L546 WeakPolarHBondContact O-CG 3.2Å; I542-L546 PolarHBondContact O-N 3.38Å
543W86.3Confident79.9Confident77 Ų7779.5 Ų79.529%0.29238%0.383SS..Hα-helixtrans-59.9-43.2178.4-175.579.3000112.4I526 L529 R539 M540 L546 Q547I526-W543 HydrophobicContact CB-CG 4.33Å; L529-W543 HydrophobicContact CD1-CB 3.75Å; L529-W543 HydrophobicContact CD1-CG 4.44Å; R539-W543 WeakPolarHBondContact O-CB 3.22Å; R539-W543 PolarHBondContact O-N 3.29Å; M540-W543 HydrophobicContact CE-CE3 4.43Å; W543-L546 PolarHBondContact O-N 2.92Å; W543-Q547 HydrophobicContact CD2-CG 4.29Å; W543-Q547 HydrophobicContact CE3-CG 4.43Å; W543-Q547 HydrophobicContact CZ2-CG 4.44Å; W543-Q547 VanDerWaalsContact O-CG 3.25Å; W543-Q547 WeakPolarHBondContact O-CG 3.35Å; W543-Q547 PolarHBondContact O-N 3.38Å
544R86.3Confident78Confident165 Ų16577.5 Ų77.562%0.62338%0.38SS*.Hα-helixtrans-64.3-45.1173.4177.4165.7-78.6161-4.4111.9M540 I542 L546 Q547 D548M540-R544 WeakPolarHBondContact O-CB 3.31Å; M540-R544 PolarHBondContact O-N 3.37Å; I542-R544 PolarHBondContact O-N 2.87Å; R544-L546 PolarHBondContact O-N 3.3Å; R544-Q547 WeakPolarHBondContact O-CB 3.44Å; R544-Q547 PolarHBondContact O-N 3.01Å; R544-Q547 VanDerWaalsContact O-N 3.07Å; R544-D548 WeakPolarHBondContact CG-OD2 3.36Å; R544-D548 VanDerWaalsContact O-CG 3.25Å; R544-D548 PolarHBondContact O-N 3.35Å
545G85.7Confident75.6Confident8 Ų882.3 Ų82.38%0.08241%0.413CS..Hα-helixtrans-58.8-33.5175.700000113.7T541 I542 L549T541-G545 PolarHBondContact O-N 3.17Å; I542-G545 PolarHBondContact O-N 2.94Å; G545-L549 WeakPolarHBondContact O-CB 3.25Å; G545-L549 PolarHBondContact O-N 3.25Å
546L84.7Confident73.1Confident9 Ų982.9 Ų82.95%0.04743%0.428CS..Hα-helixtrans-73.3-37.1174.3-67.8169000112.4F497 L521 I542 W543 R544 K550F497-L546 HydrophobicContact CE1-CD2 3.69Å; F497-L546 HydrophobicContact CE1-CG 4.13Å; F497-L546 HydrophobicContact CZ-CD2 3.65Å; F497-L546 HydrophobicContact CZ-CG 3.95Å; L521-L546 HydrophobicContact CB-CD1 4.13Å; L521-L546 HydrophobicContact CB-CD2 3.55Å; L521-L546 HydrophobicContact CD2-CD2 4.32Å; I542-L546 HydrophobicContact CG2-CD1 3.91Å; I542-L546 HydrophobicContact CG2-CG 4.41Å; I542-L546 VanDerWaalsContact O-CG 3.32Å; I542-L546 WeakPolarHBondContact O-CG 3.2Å; I542-L546 PolarHBondContact O-N 3.38Å; W543-L546 PolarHBondContact O-N 2.92Å; R544-L546 PolarHBondContact O-N 3.3Å; L546-K550 WeakPolarHBondContact O-CB 3.42Å; L546-K550 PolarHBondContact O-N 3.2Å; L546-K550 VanDerWaalsContact O-N 3.09Å
547Q83.3Confident71Confident77 Ų7785.9 Ų85.936%0.3644%0.438SS..Hα-helixtrans-65.3-38.8172.3-68.6-103.65000112.4W543 R544 K550 Q551W543-Q547 HydrophobicContact CD2-CG 4.29Å; W543-Q547 HydrophobicContact CE3-CG 4.43Å; W543-Q547 HydrophobicContact CZ2-CG 4.44Å; W543-Q547 VanDerWaalsContact O-CG 3.25Å; W543-Q547 WeakPolarHBondContact O-CG 3.35Å; W543-Q547 PolarHBondContact O-N 3.38Å; R544-Q547 WeakPolarHBondContact O-CB 3.44Å; R544-Q547 PolarHBondContact O-N 3.01Å; R544-Q547 VanDerWaalsContact O-N 3.07Å; Q547-K550 WeakPolarHBondContact O-CB 3.47Å; Q547-K550 PolarHBondContact O-N 2.98Å; Q547-Q551 WeakPolarHBondContact O-CG 3.47Å; Q547-Q551 PolarHBondContact O-N 2.99Å; Q547-Q551 PolarHBondContact O-NE2 3.07Å; Q547-Q551 VanDerWaalsContact O-NE2 3.1Å
548D81.8Confident68.6Low85 Ų8587.2 Ų87.246%0.45545%0.445SS..Hα-helixtrans-71.8-39.7178.9-63.1-23.6000111R544 K550 Q551 S552R544-D548 WeakPolarHBondContact CG-OD2 3.36Å; R544-D548 VanDerWaalsContact O-CG 3.25Å; R544-D548 PolarHBondContact O-N 3.35Å; D548-K550 VanDerWaalsContact C-N 3.26Å; D548-K550 PolarHBondContact O-N 3.43Å; D548-Q551 PolarHBondContact O-N 3.38Å; D548-Q551 PolarHBondContact OD1-NE2 2.93Å; D548-S552 WeakPolarHBondContact O-CB 3.44Å; D548-S552 PolarHBondContact O-N 3.19Å
549L75.8Confident66.1Low48 Ų4891.5 Ų91.525%0.25147%0.471SS..Hα-helixtrans-58.8-37.3171.1-177.369.3000112.2I518 Q522 G545I518-L549 HydrophobicContact CD1-CD1 4.42Å; I518-L549 HydrophobicContact CD1-CD2 3.54Å; I518-L549 HydrophobicContact CG1-CD2 3.69Å; Q522-L549 HydrophobicContact CG-CD2 4.31Å; G545-L549 WeakPolarHBondContact O-CB 3.25Å; G545-L549 PolarHBondContact O-N 3.25Å
550K73.3Confident63.6Low100 Ų10097.8 Ų97.844%0.43551%0.507SS..Hα-helixtrans-68.3-50.5177.6-169.1170.1-174.1163.10111.7L546 Q547 D548 S552 H553 D554L546-K550 WeakPolarHBondContact O-CB 3.42Å; L546-K550 PolarHBondContact O-N 3.2Å; L546-K550 VanDerWaalsContact O-N 3.09Å; Q547-K550 WeakPolarHBondContact O-CB 3.47Å; Q547-K550 PolarHBondContact O-N 2.98Å; D548-K550 VanDerWaalsContact C-N 3.26Å; D548-K550 PolarHBondContact O-N 3.43Å; K550-S552 VanDerWaalsContact C-N 3.28Å; K550-S552 PolarHBondContact O-N 3.06Å; K550-H553 VanDerWaalsContact O-CB 3.31Å; K550-H553 WeakPolarHBondContact O-CB 3.46Å; K550-H553 PolarHBondContact O-N 2.88Å; K550-D554 PolarHBondContact O-N 3.4Å
551Q61.3Low61.2Low116 Ų116103.4 Ų103.454%0.54252%0.523SS..Hα-helixtrans-60.3-35.8177.1-72.7168.987.600113Q547 D548 H553 D554 C555Q547-Q551 WeakPolarHBondContact O-CG 3.47Å; Q547-Q551 PolarHBondContact O-N 2.99Å; Q547-Q551 PolarHBondContact O-NE2 3.07Å; Q547-Q551 VanDerWaalsContact O-NE2 3.1Å; D548-Q551 PolarHBondContact O-N 3.38Å; D548-Q551 PolarHBondContact OD1-NE2 2.93Å; Q551-H553 PolarHBondContact O-N 3.06Å; Q551-D554 PolarHBondContact O-N 3.36Å; Q551-C555 WeakPolarHBondContact O-CB 3.45Å; Q551-C555 PolarHBondContact O-N 3Å; Q551-C555 VanDerWaalsContact O-N 3.08Å
552S56.7Low58.4Low86 Ų86105.8 Ų105.860%0.60154%0.542SS*.Hα-helixtrans-59.9-28.5174-171.70000112.7D548 K550D548-S552 WeakPolarHBondContact O-CB 3.44Å; D548-S552 PolarHBondContact O-N 3.19Å; K550-S552 VanDerWaalsContact C-N 3.28Å; K550-S552 PolarHBondContact O-N 3.06Å
553H54.4Low55.6Low130 Ų130111.1 Ų111.160%0.60258%0.58SS**Hα-helixtrans-81.2-31.7-179.5-131.6-68.6000113.5K550 Q551K550-H553 VanDerWaalsContact O-CB 3.31Å; K550-H553 WeakPolarHBondContact O-CB 3.46Å; K550-H553 PolarHBondContact O-N 2.88Å; Q551-H553 PolarHBondContact O-N 3.06Å
554D41.7Very low53Low133 Ų133112.7 Ų112.771%0.71160%0.602SS**Hα-helixtrans-77.8-38.4174.9-75.4-57.5000112.4K550 Q551 G556K550-D554 PolarHBondContact O-N 3.4Å; Q551-D554 PolarHBondContact O-N 3.36Å; D554-G556 PolarHBondContact O-N 3.09Å
555C35Very low50.4Low102 Ų102112 Ų11269%0.68961%0.611SS**G310 helixtrans-72.7-13.3-178.1-157.50000113.6Q551 Q557Q551-C555 WeakPolarHBondContact O-CB 3.45Å; Q551-C555 PolarHBondContact O-N 3Å; Q551-C555 VanDerWaalsContact O-N 3.08Å; C555-Q557 PolarHBondContact O-N 3.36Å
556G33.7Very low47.6Very low65 Ų65116.4 Ų116.467%0.6765%0.647SS**G310 helixtrans-70.21.5-173.600000117.2D554D554-G556 PolarHBondContact O-N 3.09Å
557Q37.2Very low45Very low179 Ų179121 Ų12184%0.83669%0.686SS**G310 helixtrans-113.214.9-174.9-68.9-158.656.700116.1C555C555-Q557 PolarHBondContact O-N 3.36Å
558Q35.5Very low42.7Very low172 Ų172123.9 Ų123.980%0.80471%0.709SS**SBendtrans-153.2156.8163.9-114.815758.300113.6
559L30.9Very low40.3Very low147 Ų147128.4 Ų128.477%0.7773%0.731SS**  trans62.784.1170.7-63.2166.7000118.2
560L34.1Very low38.2Very low183 Ų183131.6 Ų131.696%0.95876%0.757SS**  trans-105.874.3140-88.592.4000110.7
561R33.3Very low36.4Very low223 Ų223135.1 Ų135.184%0.84278%0.779SS**  trans-145.7152.2159.1-80.1-166.8169162.6-3.1109.4
562S28.5Very low34.8Very low117 Ų117133.5 Ų133.582%0.81879%0.793SS**  trans76.689.5175.4-55.40000117.3
563S28.1Very low33.5Very low112 Ų112132.9 Ų132.978%0.78380%0.801SS**  trans-10.8145142.6-33.10000119
564S33Very low32.5Very low110 Ų110133.1 Ų133.177%0.76982%0.817SS**  -169.4123.4118.8-830000115.2
565N30Very low32Very low149 Ų149130.8 Ų130.880%0.79783%0.825SS**  trans43.2109.8133.5-55.8-5.4000122.2
566A28.5Very low31.8Very low102 Ų102134 Ų13484%0.84383%0.83SS**  60.2115.112300000121.9
567A30.1Very low31.8Very low105 Ų105138.8 Ų138.887%0.86884%0.839SS**  trans-141.8134.1135.800000109.4
568T34.3Very low31.5Very low137 Ų137137.9 Ų137.984%0.8484%0.835SS**  trans-109.4124.8-179.449.40000111.6
569I32Very low31.4Very low180 Ų180141.2 Ų141.292%0.92384%0.84SS**  trans-149.8138.8154.932.2173.4000109.3
570S31.7Very low31.5Very low115 Ų115142.9 Ų142.980%0.80484%0.844SS**  trans-146134.5179.950.30000109.9
571I34.3Very low31.6Very low175 Ų175145 Ų14590%0.89784%0.839SS**  trans-164.3142.2169.4-105.7150.6000109.1
572G28.8Very low31.8Very low81 Ų81141.1 Ų141.184%0.83584%0.84SS**  trans58.1107.1150.600000119.3
573G29.4Very low32Very low73 Ų73144 Ų14475%0.75384%0.842SS**  trans-121.8158.9165.900000112.8
574S32.2Very low32.3Very low136 Ų136147.5 Ų147.595%0.95185%0.846SS**  trans-170.4146160.1-81.30000109.5
575G31Very low32.4Very low84 Ų84146.2 Ų146.287%0.86684%0.843SS**  trans121.965.8173.600000114.7
576E31.9Very low32.9Very low170 Ų170144.5 Ų144.579%0.79484%0.837SS**  trans-89.3140171.1178.8174.1-174.700111.1
577L33.2Very low33.4Very low164 Ų164148.4 Ų148.486%0.85984%0.838SS**  trans-163.2142.3143.7-111170.7000111.1
578Q30.9Very low33.6Very low161 Ų161152 Ų15275%0.75283%0.834SS**  trans-74.7142.9-166.8-62.8156.9-63.700113.3
579R34.2Very low34Very low242 Ų242157.3 Ų157.391%0.91384%0.838SS**  trans-112.2112.1156.6-83.4-167.2173.6-159.7-0.7110.4R581R579-R581 PolarHBondContact O-N 3.1Å
580Q32.8Very low34.3Very low182 Ų182153.8 Ų153.885%0.8583%0.825SS**  trans-56.9122166.1-161.981.7-10.800109.3
581R35.4Very low34.7Very low226 Ų226159.5 Ų159.585%0.85383%0.829SS**  trans-132127.2161.2-81.9-156.3-75.5-158.8-2.3110.1R579R579-R581 PolarHBondContact O-N 3.1Å
582V36.7Very low34.8Very low143 Ų143158.8 Ų158.887%0.86782%0.822SS**PPolyproline II helixtrans-64.5129.3167.4178.90000107.8
583M32.9Very low35.2Very low177 Ų177161.2 Ų161.287%0.87282%0.82SS**PPolyproline II helixtrans-95.2120.9171.8-77.9179.258.800109.9
584E34Very low35.5Very low186 Ų186164.8 Ų164.887%0.86982%0.821SS**PPolyproline II helixtrans-77.6136.3166.9-168176.6178.200109.8V586E584-V586 PolarHBondContact O-N 3Å
585A37.1Very low35.5Very low83 Ų83164 Ų16469%0.68681%0.81SS**  trans-85.894.2-164.300000113.9H587A585-H587 PolarHBondContact O-N 3.32Å; A585-H587 PolarHBondContact O-ND1 3.28Å
586V39.5Very low35.9Very low113 Ų113167.1 Ų167.169%0.68581%0.805SS**  trans-74.3111.4171.3-177.60000110.7E584 F588E584-V586 PolarHBondContact O-N 3Å; V586-F588 HydrophobicContact CB-CD2 4.5Å; V586-F588 HydrophobicContact CB-CE2 4.23Å; V586-F588 HydrophobicContact CG1-CD2 4.08Å; V586-F588 HydrophobicContact CG1-CE2 3.79Å; V586-F588 HydrophobicContact CG1-CZ 4.46Å; V586-F588 PolarHBondContact O-N 3.08Å; V586-F588 VanDerWaalsContact O-N 3.09Å
587H38.1Very low36.1Very low184 Ų184164.3 Ų164.385%0.85280%0.802SS**  trans-74.395.8177.8-79.876.9000112.2A585A585-H587 PolarHBondContact O-N 3.32Å; A585-H587 PolarHBondContact O-ND1 3.28Å
588F34.4Very low36.1Very low181 Ų181164.3 Ų164.379%0.79480%0.803SS**  trans-75.4122.7170.6-81.3-92.4000111.7V586 V590V586-F588 HydrophobicContact CB-CD2 4.5Å; V586-F588 HydrophobicContact CB-CE2 4.23Å; V586-F588 HydrophobicContact CG1-CD2 4.08Å; V586-F588 HydrophobicContact CG1-CE2 3.79Å; V586-F588 HydrophobicContact CG1-CZ 4.46Å; V586-F588 PolarHBondContact O-N 3.08Å; V586-F588 VanDerWaalsContact O-N 3.09Å; F588-V590 PolarHBondContact O-N 3.28Å
589R42.8Very low36.3Very low247 Ų247168.4 Ų168.493%0.93281%0.811SS**  trans-93.291.4173.8-135.3177.3-171145.61.7110.1R591R589-R591 PolarHBondContact O-N 2.82Å
590V38.1Very low36.1Very low106 Ų106160.3 Ų160.364%0.64280%0.804SS**  trans-63.2126.7176.5177.10000110.1F588F588-V590 PolarHBondContact O-N 3.28Å
591R40.2Very low35.9Very low235 Ų235155.6 Ų155.689%0.88780%0.804SS**  trans-92.9108.7163.7-86.3-177164.8168.9-4.6108.8R589 T593R589-R591 PolarHBondContact O-N 2.82Å; R591-T593 PolarHBondContact O-N 3.21Å
592H38.2Very low35.8Very low161 Ų161149.9 Ų149.975%0.74581%0.805SS**  trans-73.3120.3167.3-72.9109.9000110
593T35.8Very low35.6Very low131 Ų131146.6 Ų146.680%0.80480%0.8SS**  trans-85.3112.1164.6-59.90000107.8R591R591-T593 PolarHBondContact O-N 3.21Å
594I35.8Very low35.5Very low148 Ų148143 Ų14376%0.75980%0.798SS**  trans-92.6106.6177.3-55.6177.5000108.6
595T33.2Very low35.5Very low119 Ų119140.1 Ų140.173%0.7379%0.793SS**PPolyproline II helixtrans-77.5122.5168.9-55.30000109P597T595-P597 WeakPolarHBondContact O-CD 3.49Å
596I38.8Very low35.4Very low150 Ų150142.8 Ų142.877%0.76980%0.801SS**PPolyproline II helixtrans-83.9116.8176.1-57.6174.9000108.7
597P35.8Very low35.1Very low111 Ų111140.8 Ų140.872%0.72180%0.803SS**PPolyproline II helixtrans-75.9138.1174.731.1-33.6000110.9T595T595-P597 WeakPolarHBondContact O-CD 3.49Å
598N32.8Very low35.7Very low165 Ų165137.2 Ų137.288%0.88280%0.797SS**PPolyproline II helixtrans-74.6134.9178-169.510.6000111.1G600N598-G600 PolarHBondContact O-N 2.67Å
599R35.1Very low35.6Very low246 Ų246135.5 Ų135.593%0.92880%0.796SS**  trans-88.189.5179.5-100.9-171.6172.8-173.9-0.7111.6
600G30.1Very low35.1Very low73 Ų73131.4 Ų131.475%0.75379%0.787SS**  trans-97.7133.8147.600000108.5N598N598-G600 PolarHBondContact O-N 2.67Å
601G29.5Very low34.8Very low83 Ų83138 Ų13886%0.85680%0.801SS**  trans-111.3151.3-164.900000116
602A32.7Very low34.4Very low106 Ų106130.7 Ų130.788%0.87679%0.791SS**  trans-158142.415300000111.4
603G31.9Very low34.3Very low74 Ų74129.8 Ų129.876%0.76379%0.791SS**  trans14.7126.7164.200000124.2
604A31.9Very low34Very low101 Ų101133.4 Ų133.484%0.83580%0.796SS**  68.3148.9123.600000119.6
605V34.6Very low33.9Very low126 Ų126129.1 Ų129.176%0.76479%0.788SS**  cis-161.6172.7-9.6114.60000109.1
606T34.2Very low33.7Very low139 Ų139133.2 Ų133.285%0.85380%0.796SS**  trans78.4139.3178.563.60000118.9
607G33.3Very low33.5Very low70 Ų70133.6 Ų133.672%0.72280%0.8SS**  trans-133.9-142.216200000107.2
608P50.3Low33.5Very low110 Ų110135.6 Ų135.671%0.71480%0.804SS**  cis-129.9-150.70.536.3-13.8000112.2
609D31.8Very low33.9Very low145 Ų145133.6 Ų133.678%0.77580%0.8SS**  trans68.5148.5163.5-51.6-16000118.8
610E33.4Very low33.9Very low161 Ų161127.2 Ų127.275%0.75278%0.784SS**  cis-163.4139.9-34.2-170.4-169.110800106.6
611W31.1Very low34Very low244 Ų244129.8 Ų129.892%0.92479%0.789SS**  trans-178.3126.9141.9-96.52.5000115.2
612A33Very low34.2Very low82 Ų82133.5 Ų133.568%0.67878%0.782SS**  trans27.7102147.700000120.7
613D35Very low34.3Very low141 Ų141133.4 Ų133.475%0.75478%0.775SS**  trans-26.3140136.1177.823.2000116.1G615D613-G615 PolarHBondContact OD1-N 3.24Å
614F29.2Very low34.2Very low207 Ų207141.7 Ų141.791%0.90878%0.783SS**  trans-147.179.8154.2-104.5-75.4000109.4
615G34.8Very low34.3Very low58 Ų58146.2 Ų146.260%0.59878%0.784SS**  trans-68.1148.3178.300000114.9D613D613-G615 PolarHBondContact OD1-N 3.24Å
616F29.1Very low34Very low205 Ų205148.4 Ų148.490%0.89979%0.786SS**  trans-145.5107.1154.1-148.8-84.2000109.1
617D35.3Very low34.1Very low158 Ų158147.1 Ų147.185%0.84578%0.78SS**  trans-70147-175.5-97.4-49.8000113
618L34.9Very low34Very low154 Ų154152 Ų15281%0.80679%0.788SS**  trans-127.2130.3167.1-136.875.8000107.8
619P41.5Very low33.1Very low123 Ų123154.4 Ų154.480%0.79979%0.787SS**  trans-66.8141.4-166.124-34000114
620D35.5Very low33.3Very low112 Ų112156 Ų15660%0.59979%0.789SS**  trans-73.7126.5-172.6-177.111.6000113.3K622D620-K622 WeakPolarHBondContact OD1-CG 3.39Å; D620-K622 VanDerWaalsContact OD2-CE 3.31Å; D620-K622 WeakPolarHBondContact OD2-CE 3.36Å; D620-K622 WeakPolarHBondContact OD2-CG 3.46Å; D620-K622 IonicContact OD2-NZ 2.6Å; D620-K622 PolarHBondContact OD2-NZ 3.11Å
621C30.5Very low33.1Very low127 Ų127155.4 Ų155.486%0.85879%0.787SS**  trans-112.984.7173.5-89.30000111.4S623C621-S623 PolarHBondContact O-N 2.98Å
622K33.6Very low33.1Very low161 Ų161153.2 Ų153.270%0.778%0.784SS**  trans-70.6115.9-178.6-70.1-169.3168.484.20114.1D620D620-K622 WeakPolarHBondContact OD1-CG 3.39Å; D620-K622 VanDerWaalsContact OD2-CE 3.31Å; D620-K622 WeakPolarHBondContact OD2-CE 3.36Å; D620-K622 WeakPolarHBondContact OD2-CG 3.46Å; D620-K622 IonicContact OD2-NZ 2.6Å; D620-K622 PolarHBondContact OD2-NZ 3.11Å
623S35.1Very low33.1Very low104 Ų104155.7 Ų155.773%0.72779%0.791SS**  trans43.9123.4137.265.80000121.2C621C621-S623 PolarHBondContact O-N 2.98Å
624R29.8Very low33Very low247 Ų247157 Ų15793%0.93279%0.793SS**  trans-141.3118.2133.9-159.3172.3-173.4-178.51.3110.5
625K33.6Very low33.1Very low196 Ų196153.3 Ų153.385%0.85279%0.787SS**  trans-98.4136174-69.6-178.7177.3-179.90109.9
626Q30Very low33Very low172 Ų172158.4 Ų158.480%0.80480%0.796SS**  trans-147.7125152.3-83.3-61.6-200107.8
627P35.1Very low33.1Very low113 Ų113152.8 Ų152.873%0.73478%0.782SS**PPolyproline II helixtrans-86.6138.8172.933.9-30.7000110.8
628I31.3Very low33.2Very low172 Ų172157.7 Ų157.788%0.88280%0.799SS**PPolyproline II helixtrans-87.7134.7165.8-67.1175.6000107.9
629K32.3Very low33.1Very low160 Ų160157.9 Ų157.970%0.69680%0.799SS**PPolyproline II helixtrans-97.7131176.7-178.7-157.9169.2-151.20108.3E631K629-E631 IonicContact NZ-OE2 2.68Å; K629-E631 PolarHBondContact NZ-OE2 3.45Å
630E34.6Very low32.7Very low178 Ų178159.7 Ų159.783%0.83280%0.799SS**PPolyproline II helixtrans-75.3143.7169.2-65174.9131.400110.4
631E30.1Very low32.5Very low150 Ų150162.4 Ų162.470%0.70181%0.81SS**  trans-140.6123.3169.3-163.4153.5143.400108.6K629K629-E631 IonicContact NZ-OE2 2.68Å; K629-E631 PolarHBondContact NZ-OE2 3.45Å
632F31.8Very low32.6Very low197 Ų197164.5 Ų164.586%0.86481%0.807SS**  trans-85.4139.4173.5-100.2-108.7000109.2
633T31.4Very low32.6Very low135 Ų135164.7 Ų164.783%0.82881%0.814SS**  trans-132.4127.5164.145.20000110.5
634E32.5Very low32.4Very low169 Ų169168.7 Ų168.779%0.7982%0.82SS**  trans-151158.4174.1-166.5168.7-149.700106.7
635T31.5Very low32.6Very low129 Ų129163.1 Ų163.179%0.79181%0.812SS**  trans71140.7-17079.20000114
636E33.3Very low32.5Very low165 Ų165160.6 Ų160.677%0.77181%0.808SS**  cis-156.5172.6-11.9-137.4-166.27400113
637S31.7Very low32.7Very low87 Ų87159.7 Ų159.761%0.60881%0.809SS**  trans24.4122.1152.249.80000121.3
638H36.8Very low32.5Very low261 Ų261163.9 Ų163.9100%1.20882%0.816SS**  -150.70122.9-129.4-48.5000114

Retrieved 638 of 638 residues in 331 ms (Link to these results)