A0AA82MVY6_SCHMA Loading...

Nuclear pore complex protein Nup153 AlphaSync

AlphaFold DB , UniProt , Accession A0AA82MVY6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 769 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.5Very low58.7Low244 Ų244155.2 Ų155.2100%1.20278%0.776SS**  01120-70169.7171.700107.2
2V43.5Very low59.9Low143 Ų143151.5 Ų151.587%0.86775%0.754SS**  trans-104.1120.51771790000107.3E4V2-E4 PolarHBondContact O-N 2.96Å
3S42.7Very low61Low109 Ų109152.5 Ų152.576%0.76274%0.744SS**  trans-68.7119.4-179.2-50.40000110.2I5S3-I5 PolarHBondContact O-N 3.47Å; S3-I5 VanDerWaalsContact O-N 3.11Å
4E43.8Very low62Low190 Ų190147.9 Ų147.989%0.88872%0.723SS**  trans-67.7110.5175-67.9-162.1145.900110.4V2V2-E4 PolarHBondContact O-N 2.96Å
5I64.6Low62.9Low150 Ų150140.9 Ų140.977%0.76970%0.699SS**  trans-69.7123.3171.4-61.4169.9000107.6S3 R7S3-I5 PolarHBondContact O-N 3.47Å; S3-I5 VanDerWaalsContact O-N 3.11Å; I5-R7 PolarHBondContact O-N 3.27Å; I5-R7 VanDerWaalsContact O-N 3.15Å
6P56.8Low63.2Low111 Ų111137.2 Ų137.272%0.72168%0.682SS**  trans-62.2121.9-179.724.6-33.1000109.8R8P6-R8 PolarHBondContact O-N 3.39Å
7R55.4Low63.8Low240 Ų240133.2 Ų133.291%0.90667%0.671SS**  trans-61.6108.6179-69179.8179.6159.91.8109.1I5 S9I5-R7 PolarHBondContact O-N 3.27Å; I5-R7 VanDerWaalsContact O-N 3.15Å; R7-S9 PolarHBondContact O-N 3.21Å
8R69.2Low63.9Low180 Ų180132.1 Ų132.168%0.67967%0.666SS**  trans-50.8129.3174.6-65.8-172.9-176.7-170.71.3109.7P6P6-R8 PolarHBondContact O-N 3.39Å
9S76Confident64Low63 Ų63130.2 Ų130.244%0.44166%0.662SS.*  trans-48.2143.2179.1175.20000111.8R7 F11 H12 R13R7-S9 PolarHBondContact O-N 3.21Å; S9-F11 PolarHBondContact O-N 3.44Å; S9-F11 PolarHBondContact OG-N 3.28Å; S9-H12 WeakPolarHBondContact O-CB 3.41Å; S9-H12 PolarHBondContact O-N 3.43Å; S9-R13 PolarHBondContact O-N 2.95Å
10I77.6Confident63.7Low118 Ų118126.9 Ų126.961%0.60566%0.662SS**Hα-helixtrans-58.8-30.7177.4-149.9165.5000111.3H12 R13 I14I10-H12 VanDerWaalsContact C-N 3.33Å; I10-H12 PolarHBondContact O-N 3.12Å; I10-R13 PolarHBondContact O-N 3.48Å; I10-I14 WeakPolarHBondContact O-CG1 3.2Å; I10-I14 PolarHBondContact O-N 3.11Å
11F74.6Confident63.3Low159 Ų159129.4 Ų129.470%0.69767%0.668SS**Hα-helixtrans-63-34.8173.2-69.7-82.1000113.2S9 I14 A15S9-F11 PolarHBondContact O-N 3.44Å; S9-F11 PolarHBondContact OG-N 3.28Å; F11-I14 PolarHBondContact O-N 2.79Å; F11-A15 WeakPolarHBondContact O-CB 3.31Å; F11-A15 PolarHBondContact O-N 3.01Å
12H72.8Confident63.8Low111 Ų111122.6 Ų122.651%0.51464%0.64SS.*Hα-helixtrans-69-40.3175.4-115-28.2000111.1S9 I10 I14 A15 D16S9-H12 WeakPolarHBondContact O-CB 3.41Å; S9-H12 PolarHBondContact O-N 3.43Å; I10-H12 VanDerWaalsContact C-N 3.33Å; I10-H12 PolarHBondContact O-N 3.12Å; H12-I14 VanDerWaalsContact C-N 3.29Å; H12-I14 PolarHBondContact O-N 3.05Å; H12-A15 PolarHBondContact O-N 2.88Å; H12-D16 WeakPolarHBondContact O-CB 3.16Å; H12-D16 PolarHBondContact O-N 3.37Å
13R74Confident63.7Low165 Ų165119.8 Ų119.862%0.62362%0.624SS**Hα-helixtrans-63.9-35.3174.7-61.2-176-175.4-172.9-2.1112.5S9 I10 S17S9-R13 PolarHBondContact O-N 2.95Å; I10-R13 PolarHBondContact O-N 3.48Å; R13-S17 WeakPolarHBondContact O-CB 3.46Å; R13-S17 PolarHBondContact O-N 2.96Å
14I75.9Confident63.9Low87 Ų87120.6 Ų120.645%0.44663%0.63SS.*Hα-helixtrans-70.9-41.6175.4-66.8163.5000110.5I10 F11 H12 S17 I18I10-I14 WeakPolarHBondContact O-CG1 3.2Å; I10-I14 PolarHBondContact O-N 3.11Å; F11-I14 PolarHBondContact O-N 2.79Å; H12-I14 VanDerWaalsContact C-N 3.29Å; H12-I14 PolarHBondContact O-N 3.05Å; I14-S17 WeakPolarHBondContact O-CB 3.31Å; I14-S17 PolarHBondContact O-N 3.04Å; I14-I18 HydrophobicContact CG2-CD1 3.78Å; I14-I18 VanDerWaalsContact O-CG1 3.28Å; I14-I18 WeakPolarHBondContact O-CG1 3.29Å; I14-I18 PolarHBondContact O-N 2.75Å
15A74.7Confident64.3Low44 Ų44116.4 Ų116.436%0.36462%0.622SS.*Hα-helixtrans-61.6-50.1174.800000111.7F11 H12 S17 I18 T19F11-A15 WeakPolarHBondContact O-CB 3.31Å; F11-A15 PolarHBondContact O-N 3.01Å; H12-A15 PolarHBondContact O-N 2.88Å; A15-S17 VanDerWaalsContact C-N 3.25Å; A15-S17 PolarHBondContact O-N 3.4Å; A15-I18 PolarHBondContact O-N 3.11Å; A15-T19 PolarHBondContact O-N 3.42Å; A15-T19 PolarHBondContact O-OG1 2.78Å; A15-T19 VanDerWaalsContact O-OG1 3.11Å
16D68.8Low63.8Low81 Ų81116.1 Ų116.143%0.43362%0.62SS.*Hα-helixtrans-58.6-38.5177.5-64.6-14.3000111.3H12 T19 G20H12-D16 WeakPolarHBondContact O-CB 3.16Å; H12-D16 PolarHBondContact O-N 3.37Å; D16-T19 WeakPolarHBondContact CA-OG1 3.37Å; D16-T19 PolarHBondContact O-OG1 3.43Å; D16-T19 VanDerWaalsContact O-OG1 3.04Å; D16-G20 PolarHBondContact O-N 2.86Å
17S73.5Confident63.2Low70 Ų70118.2 Ų118.249%0.4963%0.625SS.*Hα-helixtrans-63.3-43.1173.9179.50000112.5R13 I14 A15 G20 F21R13-S17 WeakPolarHBondContact O-CB 3.46Å; R13-S17 PolarHBondContact O-N 2.96Å; I14-S17 WeakPolarHBondContact O-CB 3.31Å; I14-S17 PolarHBondContact O-N 3.04Å; A15-S17 VanDerWaalsContact C-N 3.25Å; A15-S17 PolarHBondContact O-N 3.4Å; S17-G20 PolarHBondContact O-N 2.84Å; S17-F21 WeakPolarHBondContact O-CD2 3.16Å
18I64.9Low62.5Low113 Ų113111.8 Ų111.858%0.57961%0.614SS**Hα-helixtrans-72.8-39-179.9-67.2164.4000111.1I14 A15 G20 F21I14-I18 HydrophobicContact CG2-CD1 3.78Å; I14-I18 VanDerWaalsContact O-CG1 3.28Å; I14-I18 WeakPolarHBondContact O-CG1 3.29Å; I14-I18 PolarHBondContact O-N 2.75Å; A15-I18 PolarHBondContact O-N 3.11Å; I18-G20 VanDerWaalsContact C-N 3.27Å; I18-G20 PolarHBondContact O-N 2.94Å; I18-F21 PolarHBondContact O-N 2.97Å
19T65.9Low61.1Low96 Ų96108.9 Ų108.959%0.58962%0.616SS**Hα-helixtrans-68.2-26.2175.550.80000112.9A15 D16 F21 V22A15-T19 PolarHBondContact O-N 3.42Å; A15-T19 PolarHBondContact O-OG1 2.78Å; A15-T19 VanDerWaalsContact O-OG1 3.11Å; D16-T19 WeakPolarHBondContact CA-OG1 3.37Å; D16-T19 PolarHBondContact O-OG1 3.43Å; D16-T19 VanDerWaalsContact O-OG1 3.04Å; T19-F21 PolarHBondContact O-N 2.85Å; T19-V22 PolarHBondContact O-N 2.86Å
20G56.8Low59.7Low64 Ų64112.6 Ų112.666%0.6663%0.63SS**THydrogen-bonded Turntrans-68.6-9.4175.700000115.4D16 S17 I18D16-G20 PolarHBondContact O-N 2.86Å; S17-G20 PolarHBondContact O-N 2.84Å; I18-G20 VanDerWaalsContact C-N 3.27Å; I18-G20 PolarHBondContact O-N 2.94Å
21F55.8Low57.9Low179 Ų179113.9 Ų113.979%0.78564%0.638SS**THydrogen-bonded Turntrans-102.75178.3-86-81.1000114.5S17 I18 T19 P23S17-F21 WeakPolarHBondContact O-CD2 3.16Å; I18-F21 PolarHBondContact O-N 2.97Å; T19-F21 PolarHBondContact O-N 2.85Å; F21-P23 WeakPolarHBondContact O-CD 3.43Å
22V52.6Low56.4Low102 Ų102111.9 Ų111.962%0.61864%0.639SS**SBendtrans-96.5114174.7-176.40000109.3T19 S24T19-V22 PolarHBondContact O-N 2.86Å; V22-S24 PolarHBondContact O-N 3.46Å
23P41.9Very low55.2Low84 Ų84111.6 Ų111.655%0.54565%0.647SS.*  trans-63.5126.8172.3-18.131.4000109.8F21 S25F21-P23 WeakPolarHBondContact O-CD 3.43Å; P23-S25 PolarHBondContact O-N 3.3Å
24S47.1Very low53.5Low125 Ų125109.8 Ų109.887%0.87466%0.656SS**THydrogen-bonded Turntrans-70.132.4179.6-45.90000114.1V22V22-S24 PolarHBondContact O-N 3.46Å
25S52.1Low51.7Low103 Ų103110.2 Ų110.272%0.7267%0.672SS**THydrogen-bonded Turntrans-115.22.1-165-44.60000113.9P23P23-S25 PolarHBondContact O-N 3.3Å
26I53.2Low49.7Very low144 Ų144117.9 Ų117.974%0.73870%0.697SS**SBendtrans-123.2-1.4-169.1-54.8179000112.4
27L44Very low48.2Very low155 Ų155119.2 Ų119.281%0.81271%0.713SS**SBendtrans-91125171.5-75.3165.8000109.9T29L27-T29 PolarHBondContact O-N 2.66Å
28P42Very low46.5Very low105 Ų105123.6 Ų123.668%0.68273%0.731SS**  trans-67.3128.3173.428.1-32.8000109.4I30P28-I30 PolarHBondContact O-N 3.4Å
29T39.7Very low45.3Very low119 Ų119125.3 Ų125.373%0.7374%0.741SS**  trans-64.999.7174.2-44.20000109.2L27 D31L27-T29 PolarHBondContact O-N 2.66Å; T29-D31 PolarHBondContact O-N 3.37Å
30I46.5Very low43.8Very low140 Ų140125.8 Ų125.872%0.71875%0.746SS**  trans-81.793.9167.1-54.7-179.4000106.6P28 V32P28-I30 PolarHBondContact O-N 3.4Å; I30-V32 HydrophobicContact CG2-CG2 3.78Å; I30-V32 PolarHBondContact O-N 3.08Å
31D38.4Very low42.9Very low145 Ų145130.5 Ų130.578%0.77576%0.756SS**  trans-65.394170.5-78.6-43.7000109.8T29T29-D31 PolarHBondContact O-N 3.37Å
32V44.4Very low41.8Very low118 Ų118132 Ų13272%0.71576%0.762SS**  trans-95.1115167.8-174.60000108.1I30I30-V32 HydrophobicContact CG2-CG2 3.78Å; I30-V32 PolarHBondContact O-N 3.08Å
33P46.4Very low41Very low105 Ų105130.6 Ų130.668%0.68277%0.768SS**  trans-67144.9178.727.7-34.1000110.9A35P33-A35 PolarHBondContact O-N 3.37Å; P33-A35 VanDerWaalsContact O-N 3.12Å
34P38.9Very low40.8Very low127 Ų127133.9 Ų133.983%0.82579%0.786SS**  trans-68.4114-177.227.1-33.7000110.8K36P34-K36 PolarHBondContact O-N 2.9Å
35A37.8Very low40.3Very low95 Ų95134 Ų13479%0.78578%0.777SS**  trans-65131.1171.400000110.1P33P33-A35 PolarHBondContact O-N 3.37Å; P33-A35 VanDerWaalsContact O-N 3.12Å
36K32.3Very low39.3Very low205 Ų205139 Ų13989%0.89178%0.78SS**  trans-74.2126.9172.4-60.3173.9-178177.20108.7P34P34-K36 PolarHBondContact O-N 2.9Å
37S38.2Very low38.8Very low109 Ų109137.9 Ų137.976%0.76278%0.779SS**  trans-140.511716459.60000108.7D39S37-D39 PolarHBondContact O-N 2.58Å
38D38.1Very low38.4Very low163 Ų163137 Ų13787%0.87278%0.776SS**  trans-68.8126.8-179.1-55.9-78.3000111.1
39D38.5Very low38Very low148 Ų148139.1 Ų139.179%0.79178%0.78SS**  trans-92.2135168.5-151.1-9.2000107S37S37-D39 PolarHBondContact O-N 2.58Å
40P35.4Very low37.9Very low107 Ų107140.8 Ų140.870%0.69578%0.777SS**  -152.5133.8109.737-19.6000115.3
41L36.8Very low37.4Very low163 Ų163143.4 Ų143.485%0.85378%0.778SS**  176.5132.1103.2-93.5169.3000112.9
42K34Very low37.3Very low210 Ų210142 Ų14291%0.91378%0.775SS**  trans-90.6150.2170.3-77176.2176170.20112.1
43G35.3Very low37.1Very low73 Ų73142.7 Ų142.775%0.75378%0.775SS**  trans120.2129.1157.500000112.4
44V38.5Very low36.8Very low152 Ų152144.2 Ų144.292%0.92178%0.777SS**  cis-149.7159.647.8157.80000111.8
45L35.8Very low36.7Very low129 Ų129144.9 Ų144.968%0.67578%0.779SS**  trans-81.5150.6-178.3-79.3161.8000114.3
46R32.2Very low36.5Very low207 Ų207148.2 Ų148.278%0.78178%0.782SS**  trans40.7126.7140.8-62173.8167.6133-2.8117.2
47T40.9Very low36.9Very low120 Ų120144.3 Ų144.374%0.73677%0.771SS**  -173.3154.484.625.80000114.1
48N36Very low37Very low137 Ų137146.3 Ų146.373%0.73377%0.768SS**  trans63.7116.4145.5-61.8-23.6000123.1
49L34.4Very low37Very low149 Ų149143.7 Ų143.778%0.7876%0.761SS**  trans55110133-92.171.8000121.4
50K37.8Very low37Very low154 Ų154141.6 Ų141.667%0.6776%0.759SS**  77.7105.6111.2-163.5-179.5-175-177.90119
51R35.1Very low37.2Very low196 Ų196144.5 Ų144.574%0.7476%0.763SS**  trans81.9113.6143.5-77.3-176.1-177.3155.10.7119.8
52T37.3Very low37.2Very low116 Ų116142 Ų14271%0.71276%0.759SS**  74.1128.3127.856.80000120.5
53N39.7Very low37.3Very low131 Ų131135.5 Ų135.570%0.70175%0.752SS**  trans93.4109150.2-61.53.9000118.1
54D39Very low37.4Very low137 Ų137139.1 Ų139.173%0.73375%0.753SS**  78.6117.5124.8-56.8-24.4000121.5
55V38.1Very low37.4Very low141 Ų141140.1 Ų140.186%0.85575%0.745SS**  trans67.6112.1145.6-175.60000117.5
56L34Very low37.5Very low165 Ų165140.7 Ų140.786%0.86475%0.748SS**  trans-134.8135.5151-172.572.4000108.3
57D39.5Very low37.8Very low124 Ų124140.8 Ų140.866%0.66375%0.754SS**  trans-142.3148.4160.2-153-13.4000109.3
58H41.6Very low37.5Very low151 Ų151139.3 Ų139.370%0.69976%0.755SS**  trans68.7154.3173.7-49.9-5.8000117.6
59C38.2Very low37.4Very low107 Ų107145.5 Ų145.572%0.72377%0.768SS**  cis-174.8141.1-44-117.10000108.8
60S38.5Very low37.2Very low105 Ų105141.5 Ų141.573%0.73476%0.763SS**  trans63.7155.1152.5-49.50000118.5
61E38.6Very low37Very low168 Ų168143 Ų14379%0.78577%0.772SS**  cis-160.9151.8-13.5-134.7-175.7124.300111.4
62S35.9Very low37.1Very low111 Ų111139.5 Ų139.578%0.77677%0.772SS**  trans59.2144.1146.779.50000122.1
63G37.5Very low36.8Very low73 Ų73140.3 Ų140.375%0.75377%0.772SS**  trans177.611.3176.800000122.7
64L36Very low36.9Very low148 Ų148143.5 Ų143.578%0.77578%0.783SS**  trans32.4113148.5-103.8148.5000121.5
65K39.1Very low36.6Very low174 Ų174142.2 Ų142.276%0.75778%0.78SS**  146.6112.3120.4-79.5165.1-172.6175.10117
66N38Very low36.6Very low140 Ų140143.8 Ų143.875%0.74978%0.783SS**  36.2115.5124.6-47.7-9.3000120.7
67K39.7Very low36.5Very low209 Ų209146.1 Ų146.191%0.90978%0.78SS**  179.615195.9-99.4174.2179177.10112.4
68A33.2Very low36.4Very low90 Ų90151 Ų15174%0.74479%0.791SS**  trans-85.6160.7176.600000112.6
69W35Very low36.4Very low266 Ų266147.9 Ų147.9100%1.00879%0.791SS**  trans-158.2151.3140.3-100.817.7000108.8
70G30.3Very low36.1Very low65 Ų65149.8 Ų149.867%0.6779%0.794SS**  trans-113.2-154.1-172.500000114.4
71H32.9Very low36.4Very low187 Ų187151.6 Ų151.687%0.86680%0.8SS**  trans77.1140.9-166-70.3-95.2000114
72T37.9Very low36.6Very low122 Ų122149.5 Ų149.575%0.74879%0.794SS**  cis-150.7162.94.6-12.70000111.9
73D31.2Very low37.2Very low132 Ų132152.2 Ų152.271%0.70680%0.799SS**  trans-61.2155.4-179.6-60.3-74.4000116.2
74H40.5Very low37.5Very low199 Ų199156.7 Ų156.792%0.92181%0.806SS**  trans-141.2103.8139.7-105.6-70.2000111.8
75T32.2Very low37.9Very low110 Ų110154.4 Ų154.468%0.67581%0.809SS**  trans-70.6133.8177.4-53.30000112.6
76L38.2Very low38.1Very low174 Ų174150.9 Ų150.991%0.91181%0.812SS**  trans-150.8141.7143.1-107.9174.7000111
77R32.4Very low38.2Very low213 Ų213152.1 Ų152.180%0.80482%0.818SS**  trans-89.6157.6-164.5-57.6175.7172-176.4-3.4112.9
78Y36.8Very low38.2Very low227 Ų227151.3 Ų151.389%0.8982%0.815SS**  -164.9121.9106.1-117.1-83.6000114.2
79A41.8Very low38.8Very low85 Ų85153.1 Ų153.170%0.70282%0.822SS**  trans46.9107.7156.200000121.9
80N33.1Very low38.9Very low147 Ų147149.6 Ų149.679%0.78682%0.817SS**  trans-73.1154.7148.7-68.9-17.1000110.7
81V44.9Very low39.4Very low143 Ų143151.7 Ų151.787%0.86782%0.821SS**  trans-134.3101.9151.9-179.50000107.3
82D42.1Very low39.8Very low124 Ų124151.3 Ų151.366%0.66382%0.82SS**  trans-70.1160.9162.8-63.2-55.9000109.8
83L48.9Very low39.8Very low168 Ų168151.4 Ų151.488%0.8882%0.824SS**  175.2117.2116.8-91.8166.6000110.8
84D42.9Very low40.3Very low168 Ų168149.8 Ų149.890%0.89882%0.823SS**  trans-64.6138.6164.5-59.3-63.2000110.7
85A44Very low40.1Very low100 Ų100147.2 Ų147.283%0.82682%0.815SS**  trans-142.5108.8172.800000111.4
86A44Very low40.5Very low100 Ų100149.8 Ų149.883%0.82682%0.819SS**  trans-53.4139.4-172.400000117.5K88A86-K88 PolarHBondContact O-N 3.34Å
87D41.1Very low40.7Very low165 Ų165146.9 Ų146.988%0.88281%0.813SS**  trans-69.1106.3160.5-82.5-45.3000111.6
88K39.8Very low41Very low193 Ų193145.5 Ų145.584%0.83981%0.814SS**  trans-156.9112.2150.7-68.2-161.5-178.4-178.60111.9A86A86-K88 PolarHBondContact O-N 3.34Å
89S44.8Very low41.4Very low128 Ų128139.6 Ų139.690%0.89581%0.806SS**  169.6143.3127.343.10000112.1
90E38Very low41.2Very low192 Ų192142.4 Ų142.490%0.89781%0.814SS**  trans-99.5136.2-178.5-58.1157.4-148.700109.5
91S41Very low42.1Very low108 Ų108140.7 Ų140.776%0.75581%0.814SS**  trans173.6126137.659.50000113.7
92E40.8Very low41.7Very low179 Ų179137.2 Ų137.284%0.83681%0.807SS**  trans59.8122.3139.9-59.3-170.4159.100122.7
93C36.9Very low41.5Very low124 Ų124138.2 Ų138.284%0.83882%0.817SS**  trans57.3112.5139.8-67.20000119.8
94S41.8Very low40.8Very low98 Ų98135.5 Ų135.569%0.68581%0.812SS**  171.413786.2-166.90000112.9
95L37.1Very low40.9Very low145 Ų145133.3 Ų133.376%0.75981%0.81SS**  trans41.6111.7151.8-63.5167.1000118.9
96H40.5Very low40.6Very low164 Ų164137.1 Ų137.176%0.75982%0.816SS**  -169.992.3123.2-102.442.8000111.1F98H96-F98 HydrophobicContact CB-CE2 4.32Å; H96-F98 PolarHBondContact O-N 2.87Å
97S41.5Very low40.7Very low113 Ų113140.1 Ų140.179%0.7981%0.814SS**  trans-89.597.2177-520000110.8S99S97-S99 PolarHBondContact O-N 3.32Å
98F39.6Very low40.6Very low184 Ų184138.1 Ų138.181%0.80781%0.81SS**  trans-74.291.3170-75.1-84.3000110.4H96H96-F98 HydrophobicContact CB-CE2 4.32Å; H96-F98 PolarHBondContact O-N 2.87Å
99S44.6Very low40.7Very low104 Ų104138.8 Ų138.873%0.72781%0.813SS**  trans-95.1101.4171.4-72.70000110.9S97 S101S97-S99 PolarHBondContact O-N 3.32Å; S99-S101 PolarHBondContact O-N 2.88Å
100T38.8Very low40.3Very low144 Ų144137.7 Ų137.788%0.88381%0.805SS**  trans-91.787.5168.452.70000110.2
101S51.2Low40.3Very low111 Ų111140 Ų14078%0.77681%0.806SS**  trans-123.6114.3162.752.20000109.6S99S99-S101 PolarHBondContact O-N 2.88Å
102G37.4Very low40.2Very low70 Ų70141.6 Ų141.672%0.72281%0.811SS**  trans-92.6152.3173.700000111.2
103V36.3Very low40.1Very low145 Ų145140.6 Ų140.688%0.87981%0.811SS**  trans66.891.7164.1-162.80000115.9
104S35.5Very low40Very low111 Ų111138 Ų13878%0.77681%0.805SS**  170.7104.4123.8-79.10000112.1
105S44Very low39.8Very low122 Ų122139 Ų13985%0.85381%0.81SS**  trans171.184.4149.1-83.10000111.6M107S105-M107 PolarHBondContact O-N 2.93Å
106L37.7Very low39.8Very low180 Ų180141.3 Ų141.394%0.94281%0.814SS**  trans-87.283.8160-79173.5000109.2
107M46.3Very low39.5Very low162 Ų162141.7 Ų141.780%0.79882%0.822SS**  trans-140.8121.1167.5-87.7-65.616800110S105 K109S105-M107 PolarHBondContact O-N 2.93Å; M107-K109 PolarHBondContact O-N 2.88Å
108P38.2Very low39.2Very low123 Ų123140 Ų14080%0.79982%0.822SS**  trans-75.8111.6179.8-6.622.4000111.1
109K42.3Very low38.9Very low208 Ų208141.1 Ų141.190%0.90483%0.83SS**  trans-92.599.3168.8-84.7177.7173.5171.70110.7M107M107-K109 PolarHBondContact O-N 2.88Å
110S35.9Very low38.5Very low104 Ų104141.8 Ų141.873%0.72783%0.834SS**  trans-14542.6163.873.90000112.8
111W37.8Very low38.3Very low242 Ų242146.2 Ų146.292%0.91784%0.835SS**  trans-110.598.6165.7-84.433.1000108.5
112V40.5Very low37.8Very low140 Ų140146.8 Ų146.885%0.84884%0.839SS**  trans-121.396167.8177.40000107.1
113L38.4Very low37.9Very low159 Ų159149.3 Ų149.383%0.83284%0.841SS**  trans-101.176172.3-104.9156.1000108.7C115L113-C115 PolarHBondContact O-N 2.94Å
114G35.5Very low38.1Very low69 Ų69147.4 Ų147.471%0.71184%0.84SS**  trans-73.8114.5169.300000110K116G114-K116 PolarHBondContact O-N 2.89Å
115C35.8Very low38.1Very low119 Ų119149.6 Ų149.680%0.80484%0.842SS**  trans-73.2127.6180-73.90000112.1L113L113-C115 PolarHBondContact O-N 2.94Å
116K37.1Very low37.7Very low194 Ų194153.6 Ų153.684%0.84384%0.839SS**  trans15.7114.8148.5-58.3175.9-178.1177.70117.3G114G114-K116 PolarHBondContact O-N 2.89Å
117N35.7Very low37.6Very low172 Ų172153.2 Ų153.292%0.9283%0.829SS**  -164.9147.1126-105.6-13.2000113.2
118G33.5Very low37.2Very low77 Ų77152.4 Ų152.479%0.79482%0.824SS**  trans70.597.7153.600000118.3
119Q35.1Very low37.2Very low207 Ų207153.5 Ų153.597%0.96782%0.822SS**  trans-64.5130.8160.5-67.5161-61.200110.8
120S34.7Very low36.7Very low118 Ų118149 Ų14983%0.82582%0.816SS**  trans-155.7121143.4-168.20000110.8
121R35.7Very low36.7Very low237 Ų237148.7 Ų148.789%0.89481%0.813SS**  trans-83.4120.4172.3-83.4176.6162.8173.7-6.5108.9
122S40Very low36.5Very low123 Ų123143.9 Ų143.986%0.8681%0.806SS**  trans-94107163.2173.60000109.5
123T39.1Very low36.2Very low124 Ų124142.3 Ų142.376%0.76180%0.801SS**  trans-95.9118.6172.3-24.70000109.4
124A41.6Very low36Very low104 Ų104145 Ų14586%0.8680%0.802SS**  trans-70.9130.517200000110.2
125L35.8Very low36Very low158 Ų158149 Ų14983%0.82780%0.803SS**  trans-109.7127.9-168.8-167.2127.9000110.6
126R34.7Very low35.9Very low206 Ų206150.4 Ų150.478%0.77780%0.803SS**  173.5131.1129.6-101.7-177.6173.41542114.3
127K36.7Very low35.9Very low172 Ų172146.8 Ų146.875%0.74880%0.797SS**  trans66.4127.3151.3-60.4177.9178.4-168.40114.9
128E36.1Very low35.9Very low145 Ų145149.1 Ų149.168%0.67880%0.795SS**  cis-138.3145.641.9-75.6-78.9107.900113.8
129L38Very low36Very low145 Ų145154.7 Ų154.776%0.75980%0.797SS**  trans54.3151.7141.4-59.9174.4000124
130C33.7Very low35.9Very low115 Ų115151.6 Ų151.678%0.77779%0.792SS**  trans81.588.5165.4-61.50000119.5
131S35Very low36.1Very low97 Ų97151.2 Ų151.268%0.67879%0.788SS**  79.299.1119.2-70.30000122.3
132D32.7Very low36.1Very low141 Ų141147.2 Ų147.275%0.75479%0.785SS**  86.3130.6117.2-55.2-41.2000122.6
133S34.6Very low35.7Very low107 Ų107146.5 Ų146.575%0.74878%0.78SS**  trans75.4102.3165.572.40000117.8
134Y35.7Very low35.5Very low216 Ų216146.7 Ų146.785%0.84778%0.78SS**  86.9134.394.8-104.4-105.3000112.8
135M35Very low35.4Very low152 Ų152150.3 Ų150.375%0.74978%0.779SS**  cis-157.7163.3-16.4-110.1-61.916600107.6
136N32.7Very low35.2Very low149 Ų149149.4 Ų149.480%0.79778%0.78SS**  trans-146129.3177.8-171.314.2000111.8
137T37.7Very low35.5Very low117 Ų117146 Ų14672%0.71878%0.782SS**  trans-147.3112177.134.50000114.7
138Y35.7Very low35.5Very low221 Ų221142.7 Ų142.787%0.86778%0.78SS**  trans35.8141.1140.8-69.7-84.8000124.9
139K34.9Very low35.6Very low195 Ų195140.9 Ų140.985%0.84878%0.782SS**  trans-62149.5156.5-60.5176.5173.5-175.80111.9
140V34.8Very low35.6Very low141 Ų141143.6 Ų143.686%0.85579%0.788SS**  -157.1147.2129.1150.20000107.3
141C37.7Very low35.7Very low111 Ų111143.1 Ų143.175%0.7578%0.783SS**  trans-88.4163.3171.5-72.90000111.2
142D35.8Very low35.5Very low153 Ų153143.9 Ų143.982%0.81879%0.788SS**SBendtrans76.5104.8177.6-57.9-16.9000116.7
143S31.5Very low35.8Very low108 Ų108142.5 Ų142.576%0.75579%0.787SS**  trans64.299.8137.9-57.20000119.9
144V36.2Very low35.8Very low128 Ų128141 Ų14178%0.77678%0.777SS**  trans74.4130.7143.2-172.30000116.9
145E38Very low35.7Very low179 Ų179141.1 Ų141.184%0.83678%0.776SS**  trans58.588.4163-71175.9153.300119.8T147E145-T147 PolarHBondContact O-N 2.79Å
146V33Very low35.7Very low139 Ų139140.5 Ų140.584%0.84277%0.771SS**  trans-3.5117.1132.3-173.50000115.9
147T40.7Very low35.9Very low134 Ų134139.1 Ų139.182%0.82277%0.768SS**  180137.5117.8-69.80000110.8E145E145-T147 PolarHBondContact O-N 2.79Å
148C35.8Very low35.9Very low103 Ų103138.2 Ų138.270%0.69677%0.767SS**  trans-98.8148.2-174.9-176.40000112.2
149C38.3Very low36Very low108 Ų108137.5 Ų137.573%0.7376%0.763SS**  161.6146.3123.6-83.30000116.2
150K38.6Very low36.3Very low202 Ų202133.8 Ų133.888%0.87875%0.752SS**  trans100.5149.6151.2-56-142.3178.2172.60120.1
151P35.2Very low36.5Very low105 Ų105133.4 Ų133.468%0.68275%0.745SS**  trans-132.1160.8-145.741.7-25.2000117.6
152S31Very low36.5Very low113 Ų113138.2 Ų138.279%0.7975%0.754SS**  trans62.5172.7161.977.80000116.8
153P39.5Very low36.9Very low111 Ų111140.6 Ų140.672%0.72176%0.757SS**  cis-117.7-172.8-16.528.6-5.1000110.2
154S33.4Very low37.1Very low77 Ų77141.2 Ų141.254%0.53876%0.756SS.*  142.8156.878.851.80000111.2
155W33.2Very low37.1Very low217 Ų217140.6 Ų140.682%0.82276%0.756SS**  trans64.3153.2160-49.2120.7000117.9
156Q36.6Very low37.5Very low139 Ų139137.7 Ų137.765%0.6575%0.753SS**  cis-156.8149.2-2.5-129.9157.924.200112.4
157T35.7Very low37.4Very low120 Ų120142 Ų14274%0.73676%0.755SS**  trans31.8139.5144.648.20000120.9
158S37.5Very low37.7Very low99 Ų99141.3 Ų141.369%0.69275%0.754SS**  cis-168.9-1604.2480000107.7
159R38.5Very low37.9Very low206 Ų206144.4 Ų144.478%0.77776%0.762SS**  cis-162.7145.412.3-152.2161.6168.5164.5-2.1110.9
160N40.6Very low38.2Very low116 Ų116144.2 Ų144.262%0.6276%0.76SS**  trans46.1133.7142.6-71.743000121.3
161D39.5Very low38.2Very low134 Ų134144.2 Ų144.272%0.71776%0.76SS**  cis-159.9130.825.1-87.9-40.3000111.7
162F37.2Very low38.3Very low211 Ų211149.7 Ų149.793%0.92577%0.767SS**  trans-148.2118.9157.8-96.2-80.2000109.4T164F162-T164 PolarHBondContact O-N 2.72Å
163K45.6Very low38.7Very low204 Ų204152 Ų15289%0.88777%0.765SS**  trans-71.5115.5172.4-78.1174.2173173.90109.1
164T35.5Very low38.5Very low121 Ų121156.3 Ų156.374%0.74277%0.767SS**  79.389.975-50.80000114.5F162F162-T164 PolarHBondContact O-N 2.72Å
165C36.3Very low38.7Very low115 Ų115159.1 Ų159.178%0.77778%0.775SS**  15.1160.5119.9-64.40000119.8
166P44.8Very low39Very low118 Ų118153.3 Ų153.377%0.76677%0.768SS**  cis-152.2163.336.441-19.4000120.4
167Y32.1Very low39.2Very low228 Ų228152.4 Ų152.489%0.89477%0.772SS**  trans-88.4139.8150.8-83.4-87.8000110.2
168P47.4Very low39.4Very low121 Ų121152.3 Ų152.379%0.78677%0.771SS**  trans-91.6144.6169.833.4-30.5000113.3
169L39.2Very low39.5Very low167 Ų167153 Ų15387%0.87477%0.772SS**  trans-93.5175.1177.4-110.992.7000112.3
170P44.6Very low39.4Very low105 Ų105151.1 Ų151.168%0.68278%0.777SS**  trans-99.4171.4-154.339.7-39.3000115.8
171K39.7Very low39.3Very low201 Ų201154.1 Ų154.187%0.87479%0.792SS**  trans-170.7125.7146.5-104.4151.9-172.7177.40115
172R36.4Very low39.3Very low220 Ų220152.5 Ų152.583%0.8379%0.791SS**  trans52.9144.6139.1-84.6-173.4169.1-162.6-1124.6
173Q39.9Very low39.5Very low161 Ų161147.2 Ų147.275%0.75278%0.778SS**  trans74.9138.7151.6-77.4170.6-111.300119
174R35Very low39Very low203 Ų203143.1 Ų143.177%0.76678%0.775SS**  cis173.8120.4-11.7165.1179.3177.1147.22.2105.7
175L37.7Very low39.1Very low135 Ų135147.1 Ų147.171%0.70778%0.783SS**  trans62.8154.4163.9-55.4167.4000116.2
176S40.2Very low39Very low95 Ų95148.6 Ų148.666%0.66479%0.788SS**  cis-145.6144.713.5-39.20000112
177T40.2Very low38.3Very low120 Ų120149 Ų14974%0.73679%0.792SS**  30.3139.5128.568.90000120.2
178T40.5Very low38.7Very low118 Ų118149.5 Ų149.572%0.72479%0.793SS**  cis-155.2161.438.641.30000114.8
179T39.1Very low38.1Very low115 Ų115149.5 Ų149.571%0.70680%0.795SS**  trans58.397149.150.10000120.8
180N36.1Very low38.1Very low166 Ų166152.5 Ų152.589%0.88880%0.795SS**  -162.4138.9100.8-93.9-43.2000110.3
181L38.8Very low37.8Very low179 Ų179155.2 Ų155.294%0.93780%0.803SS**  trans-105.3119.6-170.3-86.6148.6000112.7
182S38.7Very low37.8Very low99 Ų99149 Ų14969%0.69280%0.796SS**  trans-95.9-161.7156.365.80000107.9
183P42.8Very low38.3Very low101 Ų101144.5 Ų144.566%0.65679%0.793SS**  cis-129.31580.639.4-20.3000114
184S34.3Very low38.8Very low118 Ų118144.1 Ų144.183%0.82579%0.794SS**  51.199.571.3-67.50000115.9
185F36.7Very low38.8Very low205 Ų205145.6 Ų145.690%0.89980%0.802SS**  trans-97.6110.1164.7-85.5-85.2000111.1
186T35Very low38.8Very low145 Ų145142.5 Ų142.589%0.8980%0.803SS**  trans-136136.8147.757.10000107.8
187C31Very low38.4Very low126 Ų126141.6 Ų141.685%0.85181%0.808SS**  trans-142.7125176.3-168.20000110.1
188R39.3Very low38.1Very low240 Ų240140.9 Ų140.991%0.90682%0.815SS**  trans-84.6150.7173.4-79.8-172.9174.9-142.72110.9
189S35.5Very low38Very low121 Ų121140 Ų14085%0.84682%0.819SS**  trans-64.9140.1-168.3-38.10000115.6
190R38.8Very low37.9Very low230 Ų230139 Ų13987%0.86882%0.817SS**  trans-147.1129.3154.8-81.3-165.3-174.1-133.72.2111.8
191L37.7Very low38.1Very low162 Ų162137.1 Ų137.185%0.84882%0.815SS**  trans48.4124.6140.3-71142.6000121.6
192G40Very low38.1Very low70 Ų70139.8 Ų139.872%0.72281%0.813SS**  trans88.3148.2166.100000113.8
193T48Very low37.9Very low125 Ų125142.9 Ų142.977%0.76782%0.822SS**  cis-156138.714.137.40000113.2
194I49.6Very low37.8Very low153 Ų153143 Ų14379%0.78583%0.831SS**  trans43.8118.9133.5-28.3158.4000121.2
195Y34.1Very low37.9Very low234 Ų234148.6 Ų148.692%0.91883%0.834SS**  trans70.4148.7138.4-134.1-104.7000123.9
196G39Very low38.1Very low71 Ų71147.3 Ų147.373%0.73283%0.831SS**  trans81.5141.4168.500000113
197G32.3Very low38.5Very low76 Ų76148.2 Ų148.278%0.78483%0.83SS**  cis148142.316.300000106.3
198A33.7Very low39Very low105 Ų105151.6 Ų151.687%0.86883%0.83SS**  trans-71.4157.1-164.600000114.9
199A38.5Very low39.1Very low98 Ų98148.6 Ų148.681%0.8183%0.826SS**  trans101.9139.9148.100000120.4
200S35.6Very low39.7Very low96 Ų96152.7 Ų152.767%0.67183%0.829SS**  trans74.5100155.5-168.50000119.8
201C41.8Very low40Very low126 Ų126147.7 Ų147.785%0.85183%0.825SS**  trans-172.482.8130.5-95.60000107.1
202R38.7Very low40.7Very low235 Ų235146.4 Ų146.489%0.88782%0.824SS**  50.312396.6-70.2-165179.8-123.90.4115.2
203N34.7Very low40.8Very low163 Ų163148.8 Ų148.887%0.87283%0.827SS**  trans82.380156.3-124.533.6000119.3
204A38.9Very low40.5Very low104 Ų104149.8 Ų149.886%0.8683%0.826SS**  trans-148.776148.500000109
205R37.6Very low40.1Very low235 Ų235150 Ų15089%0.88782%0.822SS**  trans-95.1106.1165.8-100.7-174.7174.7158.9-3.8107.3
206E41.1Very low40.6Very low178 Ų178146.9 Ų146.983%0.83281%0.813SS**  trans173.1163.3155.2-98.5161.5-144.500106.8
207L42.6Very low40.7Very low164 Ų164148.4 Ų148.486%0.85981%0.805SS**SBendtrans90.86.2178.7-52.9175.3000120.5
208F41.8Very low41.4Very low197 Ų197152.5 Ų152.586%0.86481%0.808SS**  trans-132.425.7170.5-74.4-69.6000115.5
209E42Very low41.9Very low177 Ų177157.5 Ų157.583%0.82781%0.806SS**SBendtrans-101.325.7-175.7-158156-155.300114.4
210F46.7Very low41.9Very low207 Ų207158 Ų15891%0.90880%0.803SS**  trans-143.853.9175.5-84.2-74.4000113.9
211T44.9Very low42Very low126 Ų126161.1 Ų161.177%0.77381%0.812SS**  trans-134.884.3162.251.30000111.2
212T52.9Low41.7Very low135 Ų135165.4 Ų165.483%0.82881%0.811SS**  trans-70.1132.4166.537.90000109.6L214T212-L214 PolarHBondContact O-N 2.78Å
213P43.4Very low41.5Very low120 Ų120161.2 Ų161.278%0.77981%0.806SS**  trans-68.8128.217428.1-32.7000109.4K215P213-K215 PolarHBondContact O-N 2.82Å
214L41.1Very low41.6Very low145 Ų145163.6 Ų163.676%0.75981%0.809SS**  trans-60.7104.3174.1-85.7164.2000110T212 F216T212-L214 PolarHBondContact O-N 2.78Å; L214-F216 HydrophobicContact CB-CE2 4.04Å; L214-F216 HydrophobicContact CB-CZ 3.96Å; L214-F216 HydrophobicContact CD1-CZ 4.33Å; L214-F216 PolarHBondContact O-N 3.14Å
215K40.9Very low41.3Very low159 Ų159167.9 Ų167.969%0.69181%0.811SS**  trans-84.9105.2172.5-172.9171.6179.1-91.20108.6P213 D217P213-K215 PolarHBondContact O-N 2.82Å; K215-D217 VanDerWaalsContact NZ-CG 3.29Å; K215-D217 IonicContact NZ-OD1 2.69Å; K215-D217 PolarHBondContact NZ-OD1 2.08Å; K215-D217 IonicContact NZ-OD2 3.04Å; K215-D217 PolarHBondContact NZ-OD2 3.37Å; K215-D217 PolarHBondContact O-N 3.01Å; K215-D217 VanDerWaalsContact O-N 3.14Å
216F44.6Very low41.3Very low168 Ų168164.4 Ų164.474%0.73781%0.809SS**  trans-79.989.9174.9-59.8-78.8000109.8L214 L218L214-F216 HydrophobicContact CB-CE2 4.04Å; L214-F216 HydrophobicContact CB-CZ 3.96Å; L214-F216 HydrophobicContact CD1-CZ 4.33Å; L214-F216 PolarHBondContact O-N 3.14Å; F216-L218 PolarHBondContact O-N 3.35Å
217D40.3Very low40.8Very low103 Ų103160.1 Ų160.155%0.55181%0.813SS**  trans-75.7100.4168.6-74.1-30.8000109K215 Y219K215-D217 VanDerWaalsContact NZ-CG 3.29Å; K215-D217 IonicContact NZ-OD1 2.69Å; K215-D217 PolarHBondContact NZ-OD1 2.08Å; K215-D217 IonicContact NZ-OD2 3.04Å; K215-D217 PolarHBondContact NZ-OD2 3.37Å; K215-D217 PolarHBondContact O-N 3.01Å; K215-D217 VanDerWaalsContact O-N 3.14Å; D217-Y219 PolarHBondContact O-N 2.77Å
218L47Very low40.5Very low162 Ų162157.4 Ų157.485%0.84881%0.807SS**  trans-71.494.3173.2-72.8175.1000109.9F216 S220F216-L218 PolarHBondContact O-N 3.35Å; L218-S220 PolarHBondContact O-N 2.81Å; L218-S220 VanDerWaalsContact O-N 3.16Å
219Y43.9Very low40.9Very low210 Ų210153.7 Ų153.782%0.82480%0.797SS**  trans-58.7116.7165.5-91.9-98.5000109.6D217 D221D217-Y219 PolarHBondContact O-N 2.77Å; Y219-D221 PolarHBondContact O-N 3.32Å
220S39Very low41.7Very low109 Ų109151 Ų15176%0.76279%0.794SS**  trans-81.897.3168.5-63.60000108.5L218 R222L218-S220 PolarHBondContact O-N 2.81Å; L218-S220 VanDerWaalsContact O-N 3.16Å; S220-R222 VanDerWaalsContact C-N 3.27Å; S220-R222 PolarHBondContact O-N 3.26Å
221D37.9Very low42.3Very low160 Ų160144 Ų14486%0.85677%0.769SS**  trans-66.887.6173.5-105.1-33.8000110.5Y219 N223Y219-D221 PolarHBondContact O-N 3.32Å; D221-N223 VanDerWaalsContact C-N 3.3Å; D221-N223 PolarHBondContact O-N 3.27Å
222R35.7Very low43.1Very low217 Ų217140.9 Ų140.982%0.81976%0.756SS**  trans-71.986.5162.8-74.2-178.9168.9-166.2-3.4108.3S220S220-R222 VanDerWaalsContact C-N 3.27Å; S220-R222 PolarHBondContact O-N 3.26Å
223N35.4Very low44.2Very low147 Ų147142.5 Ų142.579%0.78676%0.759SS**  trans179.788151.5-91.1-28.8000111.6D221D221-N223 VanDerWaalsContact C-N 3.3Å; D221-N223 PolarHBondContact O-N 3.27Å
224F36.2Very low46.2Very low212 Ų212139.8 Ų139.893%0.9374%0.738SS**  trans-157.2101.1144.4-101.5-68.3000109.6L226F224-L226 PolarHBondContact O-N 3.49Å
225Q32.7Very low48.4Very low195 Ų195136.2 Ų136.291%0.91173%0.725SS**  trans-79.1104.7165.9-71.1-164.627.500109.3
226L36.3Very low50.5Low162 Ų162131.8 Ų131.885%0.84871%0.714SS**  trans-156.7126.4147.2-147.465.5000109.5F224 S228F224-L226 PolarHBondContact O-N 3.49Å; L226-S228 PolarHBondContact O-N 2.77Å; L226-S228 VanDerWaalsContact O-N 3.13Å
227G31Very low52.7Low88 Ų88127.1 Ų127.191%0.90770%0.7SS**  trans-65.8111.2-169.600000113.1
228S37.1Very low55.2Low107 Ų107123.5 Ų123.575%0.74868%0.684SS**  trans-149.2136.8163.459.50000110.2L226L226-S228 PolarHBondContact O-N 2.77Å; L226-S228 VanDerWaalsContact O-N 3.13Å
229N50.7Low57.3Low119 Ų119121.1 Ų121.164%0.63666%0.663SS**  trans-75119.3-175.8-147.9-24000108.5T231 A232N229-T231 PolarHBondContact O-N 3.41Å; N229-T231 PolarHBondContact OD1-OG1 2.95Å; N229-A232 WeakPolarHBondContact O-CB 3.25Å; N229-A232 PolarHBondContact O-N 3.39Å
230P57.6Low59.5Low120 Ų120119.8 Ų119.878%0.77966%0.657SS**THydrogen-bonded Turntrans-65.3-6.5-171.425.5-34.8000114.1
231T58.6Low62.1Low61 Ų61118.9 Ų118.937%0.37464%0.643SS.*THydrogen-bonded Turntrans-91-9.4177.256.30000114.1N229 N233 L234 R239N229-T231 PolarHBondContact O-N 3.41Å; N229-T231 PolarHBondContact OD1-OG1 2.95Å; T231-N233 PolarHBondContact O-N 2.89Å; T231-L234 PolarHBondContact O-N 2.83Å; T231-R239 PolarHBondContact O-NE 3.24Å; T231-R239 PolarHBondContact O-NH2 2.88Å
232A63.1Low64.6Low60 Ų60115.6 Ų115.650%0.49663%0.625SS.*THydrogen-bonded Turntrans-59.5-43-171.400000113.5N229 L234 R239N229-A232 WeakPolarHBondContact O-CB 3.25Å; N229-A232 PolarHBondContact O-N 3.39Å; A232-L234 VanDerWaalsContact C-N 3.31Å; A232-L234 PolarHBondContact O-N 2.7Å; A232-R239 PolarHBondContact O-NH2 2.1Å
233N76.4Confident67Low168 Ų168110.6 Ų110.690%0.89861%0.61SS**THydrogen-bonded Turntrans-84.93.4-176.1-66.8-25.9000114.6T231T231-N233 PolarHBondContact O-N 2.89Å
234L83.6Confident69.5Low63 Ų63107.1 Ų107.133%0.3360%0.595SS.*SBendtrans-90.9137.5178.4-64.8176.5000111.2T231 A232 A238 R239 L242T231-L234 PolarHBondContact O-N 2.83Å; A232-L234 VanDerWaalsContact C-N 3.31Å; A232-L234 PolarHBondContact O-N 2.7Å; L234-A238 HydrophobicContact CB-CB 4.17Å; L234-A238 HydrophobicContact CD2-CB 4.32Å; L234-R239 HydrophobicContact CB-CG 3.81Å; L234-R239 PolarHBondContact O-NE 2.83Å; L234-R239 VanDerWaalsContact O-NE 3.16Å; L234-R239 PolarHBondContact O-NH2 3.24Å; L234-L242 HydrophobicContact CD1-CD1 3.52Å
235S89.1Confident71.9Confident71 Ų71102 Ų10250%0.49758%0.576SS.*  trans-59.7154170.970.90000110.9T237 A238 R239S235-T237 PolarHBondContact O-N 3.21Å; S235-A238 PolarHBondContact O-N 2.77Å; S235-A238 WeakPolarHBondContact OG-CB 3.35Å; S235-A238 PolarHBondContact OG-N 3.09Å; S235-A238 VanDerWaalsContact OG-N 3.15Å; S235-R239 PolarHBondContact O-N 3.36Å
236S84.4Confident74.3Confident66 Ų6699.8 Ų99.846%0.46257%0.566SS.*Hα-helixtrans-56.2-34.7178.252.20000112.6R240S236-R240 PolarHBondContact O-N 3.15Å; S236-R240 VanDerWaalsContact O-N 3.12Å
237T90.3Very high76.2Confident70 Ų7098.1 Ų98.143%0.42956%0.558SS.*Hα-helixtrans-64.8-45.8171.8-42.30000112.2S235 R239 R240 I241S235-T237 PolarHBondContact O-N 3.21Å; T237-R239 PolarHBondContact O-N 3.16Å; T237-R240 PolarHBondContact O-N 3.18Å; T237-I241 HydrophobicContact CG2-CD1 4.01Å; T237-I241 VanDerWaalsContact O-CG1 3.3Å; T237-I241 WeakPolarHBondContact O-CG1 3.45Å; T237-I241 PolarHBondContact O-N 3.35Å
238A93.4Very high78.1Confident26 Ų26100.7 Ų100.722%0.21555%0.55CS.*Hα-helixtrans-64.6-39.617900000112.3L234 S235 I241 L242L234-A238 HydrophobicContact CB-CB 4.17Å; L234-A238 HydrophobicContact CD2-CB 4.32Å; S235-A238 PolarHBondContact O-N 2.77Å; S235-A238 WeakPolarHBondContact OG-CB 3.35Å; S235-A238 PolarHBondContact OG-N 3.09Å; S235-A238 VanDerWaalsContact OG-N 3.15Å; A238-I241 PolarHBondContact O-N 3.02Å; A238-L242 WeakPolarHBondContact O-CG 3.15Å; A238-L242 PolarHBondContact O-N 3.43Å
239R92Very high79.2Confident112 Ų11299.1 Ų99.142%0.42354%0.539SS..Hα-helixtrans-60.4-48.9173.3-63.4-176.1-161.5166.36.3111.3T231 A232 L234 S235 T237 I241 L242 E243T231-R239 PolarHBondContact O-NE 3.24Å; T231-R239 PolarHBondContact O-NH2 2.88Å; A232-R239 PolarHBondContact O-NH2 2.1Å; L234-R239 HydrophobicContact CB-CG 3.81Å; L234-R239 PolarHBondContact O-NE 2.83Å; L234-R239 VanDerWaalsContact O-NE 3.16Å; L234-R239 PolarHBondContact O-NH2 3.24Å; S235-R239 PolarHBondContact O-N 3.36Å; T237-R239 PolarHBondContact O-N 3.16Å; R239-I241 VanDerWaalsContact C-N 3.35Å; R239-I241 PolarHBondContact O-N 2.09Å; R239-L242 PolarHBondContact O-N 3.19Å; R239-E243 VanDerWaalsContact O-CB 3.29Å; R239-E243 WeakPolarHBondContact O-CB 3.44Å; R239-E243 PolarHBondContact O-N 2.91Å
240R88.2Confident79.2Confident183 Ų18397.1 Ų97.169%0.69154%0.539SS*.Hα-helixtrans-59.3-41.8176.4-81.4179160.9-170-9.3113S236 T237 E243 T244S236-R240 PolarHBondContact O-N 3.15Å; S236-R240 VanDerWaalsContact O-N 3.12Å; T237-R240 PolarHBondContact O-N 3.18Å; R240-E243 PolarHBondContact O-N 3.47Å; R240-T244 PolarHBondContact O-N 3.17Å; R240-T244 PolarHBondContact O-OG1 2.86Å
241I93.4Very high78.6Confident90 Ų9096.8 Ų96.846%0.46254%0.537SS..Hα-helixtrans-61.9-49.5177-70.8164.8000110.2T237 A238 R239 E243 T244 L245T237-I241 HydrophobicContact CG2-CD1 4.01Å; T237-I241 VanDerWaalsContact O-CG1 3.3Å; T237-I241 WeakPolarHBondContact O-CG1 3.45Å; T237-I241 PolarHBondContact O-N 3.35Å; A238-I241 PolarHBondContact O-N 3.02Å; R239-I241 VanDerWaalsContact C-N 3.35Å; R239-I241 PolarHBondContact O-N 2.09Å; I241-E243 VanDerWaalsContact C-N 3.35Å; I241-E243 PolarHBondContact O-N 3.1Å; I241-T244 WeakPolarHBondContact CA-OG1 3.2Å; I241-T244 PolarHBondContact O-N 2.93Å; I241-T244 PolarHBondContact O-OG1 3.25Å; I241-L245 HydrophobicContact CG2-CD1 3.86Å; I241-L245 HydrophobicContact CG2-CG 4.35Å; I241-L245 WeakPolarHBondContact O-CB 3.26Å; I241-L245 VanDerWaalsContact O-CG 3.3Å; I241-L245 WeakPolarHBondContact O-CG 3.27Å; I241-L245 PolarHBondContact O-N 3.33Å
242L91.4Very high77.6Confident91 Ų91101.7 Ų101.748%0.47656%0.56SS.*Hα-helixtrans-61.4-42.7177.8-68.8173.3000112.1L234 A238 R239 L245 E246L234-L242 HydrophobicContact CD1-CD1 3.52Å; A238-L242 WeakPolarHBondContact O-CG 3.15Å; A238-L242 PolarHBondContact O-N 3.43Å; R239-L242 PolarHBondContact O-N 3.19Å; L242-L245 PolarHBondContact O-N 3.04Å; L242-L245 VanDerWaalsContact O-N 3.14Å; L242-E246 WeakPolarHBondContact O-CB 3.46Å; L242-E246 PolarHBondContact O-N 3.05Å
243E86.7Confident76.6Confident111 Ų111105.5 Ų105.552%0.51958%0.578SS.*Hα-helixtrans-62.9-40.8176-174.9174.5-153.500111.8R239 R240 I241 N247R239-E243 VanDerWaalsContact O-CB 3.29Å; R239-E243 WeakPolarHBondContact O-CB 3.44Å; R239-E243 PolarHBondContact O-N 2.91Å; R240-E243 PolarHBondContact O-N 3.47Å; I241-E243 VanDerWaalsContact C-N 3.35Å; I241-E243 PolarHBondContact O-N 3.1Å; E243-N247 WeakPolarHBondContact O-CB 3.33Å; E243-N247 VanDerWaalsContact O-CG 3.29Å; E243-N247 PolarHBondContact O-N 2.89Å; E243-N247 PolarHBondContact O-ND2 3.27Å
244T87.8Confident74.6Confident75 Ų75103 Ų10346%0.4657%0.573SS.*Hα-helixtrans-67.6-36170.645.30000112.9R240 I241 N247 L248R240-T244 PolarHBondContact O-N 3.17Å; R240-T244 PolarHBondContact O-OG1 2.86Å; I241-T244 WeakPolarHBondContact CA-OG1 3.2Å; I241-T244 PolarHBondContact O-N 2.93Å; I241-T244 PolarHBondContact O-OG1 3.25Å; T244-N247 PolarHBondContact O-N 3.41Å; T244-L248 WeakPolarHBondContact O-CB 3.2Å; T244-L248 WeakPolarHBondContact O-CD1 3.15Å; T244-L248 WeakPolarHBondContact O-CG 3.21Å; T244-L248 PolarHBondContact O-N 3.32Å
245L86.5Confident72.5Confident103 Ų103103.2 Ų103.254%0.53959%0.591SS.*Hα-helixtrans-69.2-38177.5-72.7171.9000111.6I241 L242 L248 S249I241-L245 HydrophobicContact CG2-CD1 3.86Å; I241-L245 HydrophobicContact CG2-CG 4.35Å; I241-L245 WeakPolarHBondContact O-CB 3.26Å; I241-L245 VanDerWaalsContact O-CG 3.3Å; I241-L245 WeakPolarHBondContact O-CG 3.27Å; I241-L245 PolarHBondContact O-N 3.33Å; L242-L245 PolarHBondContact O-N 3.04Å; L242-L245 VanDerWaalsContact O-N 3.14Å; L245-L248 PolarHBondContact O-N 3.13Å; L245-S249 VanDerWaalsContact O-CB 3.23Å; L245-S249 WeakPolarHBondContact O-CB 3.3Å; L245-S249 PolarHBondContact O-N 2.77Å; L245-S249 PolarHBondContact O-OG 3.11Å; L245-S249 VanDerWaalsContact O-OG 3.14Å
246E83.5Confident70.1Confident149 Ų149108.9 Ų108.970%0.69661%0.607SS**Hα-helixtrans-64.7-45.2174-172.1169.4-165.900110.9L242 L248 S249L242-E246 WeakPolarHBondContact O-CB 3.46Å; L242-E246 PolarHBondContact O-N 3.05Å; E246-L248 PolarHBondContact O-N 2.95Å; E246-S249 WeakPolarHBondContact CA-OG 3.18Å; E246-S249 PolarHBondContact O-N 3.49Å; E246-S249 PolarHBondContact O-OG 2.04Å
247N74.8Confident67.8Low128 Ų128114 Ų11468%0.68463%0.628SS**Hα-helixtrans-69.5-27.6175.9-73.3-49.8000114E243 T244E243-N247 WeakPolarHBondContact O-CB 3.33Å; E243-N247 VanDerWaalsContact O-CG 3.29Å; E243-N247 PolarHBondContact O-N 2.89Å; E243-N247 PolarHBondContact O-ND2 3.27Å; T244-N247 PolarHBondContact O-N 3.41Å
248L72.4Confident65.4Low141 Ų141118.9 Ų118.974%0.73865%0.646SS**Hα-helixtrans-88.3-17.5175.1-69.9168.7000112.7T244 L245 E246 A250T244-L248 WeakPolarHBondContact O-CB 3.2Å; T244-L248 WeakPolarHBondContact O-CD1 3.15Å; T244-L248 WeakPolarHBondContact O-CG 3.21Å; T244-L248 PolarHBondContact O-N 3.32Å; L245-L248 PolarHBondContact O-N 3.13Å; E246-L248 PolarHBondContact O-N 2.95Å; L248-A250 PolarHBondContact O-N 2.78Å
249S58.7Low62.6Low74 Ų74123 Ų12352%0.51767%0.673SS.*  trans-76.671170.364.80000111.2L245 E246L245-S249 VanDerWaalsContact O-CB 3.23Å; L245-S249 WeakPolarHBondContact O-CB 3.3Å; L245-S249 PolarHBondContact O-N 2.77Å; L245-S249 PolarHBondContact O-OG 3.11Å; L245-S249 VanDerWaalsContact O-OG 3.14Å; E246-S249 WeakPolarHBondContact CA-OG 3.18Å; E246-S249 PolarHBondContact O-N 3.49Å; E246-S249 PolarHBondContact O-OG 2.04Å
250A52.2Low60.1Low77 Ų77124 Ų12464%0.63669%0.692SS**  trans-52.8124.8160.300000108.3L248 L252L248-A250 PolarHBondContact O-N 2.78Å; A250-L252 PolarHBondContact O-N 2.8Å
251P44.5Very low57.8Low113 Ų113121.6 Ų121.673%0.73470%0.697SS**  trans-72.599.2-166.426.7-34.7000111.2T253P251-T253 PolarHBondContact O-N 3.48Å
252L37Very low54.8Low164 Ų164125.7 Ų125.786%0.85971%0.714SS**SBendtrans-6599.8162.6-67.6177.1000108.5A250A250-L252 PolarHBondContact O-N 2.8Å
253T42.4Very low52.4Low141 Ų141131.7 Ų131.787%0.86574%0.736SS**  trans62.786.3173.222.90000116.1P251P251-T253 PolarHBondContact O-N 3.48Å
254S34.2Very low49.8Very low115 Ų115134.6 Ų134.680%0.80475%0.75SS**  trans-106.478.1151.4-166.30000110
255G39Very low47.5Very low68 Ų68138 Ų13870%0.70177%0.77SS**  trans-92.691.8176.500000111.7
256F39.2Very low45.4Very low190 Ų190142 Ų14283%0.83378%0.783SS**  trans44.499.1152.8-101.7-97.5000118.8
257L35.5Very low43.2Very low173 Ų173143.8 Ų143.891%0.90679%0.791SS**  trans-144.890.6142-79.2-174000110.9
258Q40.9Very low41.5Very low172 Ų172144.6 Ų144.680%0.80480%0.8SS**  trans-164.6115142-110160.921.300113.2
259S33.8Very low39.9Very low112 Ų112146.9 Ų146.978%0.78380%0.804SS**  trans-5.2122.1157.8-174.30000119
260T38.9Very low39.3Very low134 Ų134150.2 Ų150.282%0.82282%0.822SS**  -160.4124.712817.10000112.2
261V40.2Very low38.7Very low132 Ų132156 Ų15680%0.883%0.827SS**  trans13.5131.8152.3-171.80000120.4
262H31.8Very low38.9Very low177 Ų177160 Ų16082%0.81984%0.836SS**  trans-28.2136.5170.7-70.9-72.2000119.2
263K40.7Very low39.1Very low217 Ų217159.2 Ų159.294%0.94383%0.826SS**  -157.5162.1118.7-105.4157.9-171.81770111.6
264H32.4Very low39.1Very low172 Ų172158.2 Ų158.280%0.79682%0.824SS**  trans-123.7109.2-149.2168.5-70.6000112.5
265V38.9Very low39.1Very low145 Ų145161.5 Ų161.588%0.87983%0.827SS**  trans-138.8143.2168.6-173.20000111.7
266K43.1Very low39.1Very low189 Ų189168.8 Ų168.882%0.82283%0.833SS**  trans-57.1139.5-163.1-61.9167.3179.4175.30115.7
267Q35.9Very low39.1Very low186 Ų186168.3 Ų168.387%0.86983%0.831SS**  trans-73.6137.1163.9-67.8-177.2-19.500111.4
268V41Very low39.5Very low144 Ų144165.2 Ų165.287%0.87382%0.821SS**  trans-114.9142.5156.3175.70000107.9
269K37.9Very low39.7Very low190 Ų190162.4 Ų162.483%0.82682%0.818SS**  trans-129.1104.4-158.1178.4-176.2-177.7177.50110.5
270T46.6Very low39.8Very low144 Ų144167.3 Ų167.388%0.88383%0.826SS**  trans-129.2125.216813.90000109.4
271R38.4Very low40.1Very low199 Ų199165.4 Ų165.475%0.75182%0.817SS**  trans-128.796.5-176.7175.4-168.7177.5173.34.8107.6
272E48.5Very low40Very low196 Ų196169.2 Ų169.292%0.91682%0.823SS**  trans-71.1141.1163.7-76.6-170.1115.700110.2
273K42.1Very low40.3Very low147 Ų147164 Ų16464%0.63982%0.818SS**  trans-118.299.5176.9-79.4178.1174.7174.50108.5
274S43.2Very low40.1Very low120 Ų120163.7 Ų163.784%0.83981%0.812SS**  trans-70.3127.6164.455.50000110.1R276S274-R276 PolarHBondContact O-N 2.93Å
275H33.9Very low40.7Very low185 Ų185164.6 Ų164.686%0.85682%0.816SS**  trans-74.4106.1-175.8-77.5-126.8000112.7
276R38.5Very low40.6Very low220 Ų220166.4 Ų166.483%0.8381%0.813SS**  trans-161.7124.8150.6-118.4169.7-174161.93.6111.9S274S274-R276 PolarHBondContact O-N 2.93Å
277F38.2Very low40.5Very low181 Ų181162.3 Ų162.379%0.79480%0.803SS**  trans65.4122.3176.4-53.2-77.2000117.3
278P45.3Very low40.8Very low107 Ų107159.5 Ų159.570%0.69579%0.794SS**  trans-80.9129.7165.632.5-30.1000110F280P278-F280 PolarHBondContact O-N 2.96Å
279P44.8Very low40.6Very low114 Ų114157.7 Ų157.774%0.7479%0.788SS**  trans-70.9123.5171.328.1-31.9000110.1S281P279-S281 VanDerWaalsContact C-N 3.32Å; P279-S281 PolarHBondContact O-N 3.26Å
280F35.1Very low40.6Very low215 Ų215157.3 Ų157.394%0.94379%0.786SS**  trans-70.985.2170.1-95.5-95.7000109.9P278P278-F280 PolarHBondContact O-N 2.96Å
281S45.9Very low40.3Very low93 Ų93160.9 Ų160.965%0.6578%0.784SS**  trans-145.653.9174.268.60000112.5P279P279-S281 VanDerWaalsContact C-N 3.32Å; P279-S281 PolarHBondContact O-N 3.26Å
282K36.9Very low40.4Very low213 Ų213160.3 Ų160.393%0.92679%0.787SS**  trans-117.996.6162.4-76.1-171.2175-173.90108.4
283G39.9Very low40Very low68 Ų68158.1 Ų158.170%0.70178%0.781SS**SBendtrans178.6-20.8-177.900000116.6
284Y36.5Very low39.7Very low209 Ų209156.7 Ų156.782%0.8279%0.789SS**  trans-112.61.5-172.7-89.3-88.1000116.4K286Y284-K286 PolarHBondContact O-N 3.04Å
285E43.2Very low39.2Very low191 Ų191158.3 Ų158.389%0.89379%0.788SS**THydrogen-bonded Turntrans-78.727.4178.1-69.8-177134.100114.6
286K38.5Very low39.2Very low184 Ų184157.4 Ų157.480%0.879%0.788SS**THydrogen-bonded Turntrans-13112-178.7-136.1176.9-174.7-179.40115.8Y284Y284-K286 PolarHBondContact O-N 3.04Å
287V40.1Very low39.1Very low102 Ų102155.6 Ų155.662%0.61879%0.789SS**SBendtrans-118-27.1-175.4-172.30000113.7
288D41.7Very low39Very low127 Ų127150.9 Ų150.968%0.67978%0.778SS**THydrogen-bonded Turntrans-88-2.2179.2-79.2-47.1000115.3
289S38.1Very low38.4Very low106 Ų106155.3 Ų155.374%0.74179%0.787SS**THydrogen-bonded Turntrans-87.9-1.5-179.8-141.40000114.7
290F37.9Very low38.1Very low182 Ų182155.2 Ų155.280%0.79879%0.788SS**SBendtrans-111-1177.7-83.3-82.2000114.2
291R39.4Very low38Very low220 Ų220152.9 Ų152.983%0.8378%0.78SS**SBendtrans-97.97.6-175.6-145175.1-165.3167.15.2115
292K40.8Very low37.7Very low187 Ų187155.2 Ų155.281%0.81379%0.785SS**SBendtrans-120.23.2-174.2-76.7-177.2174.4176.60115.8
293N39.9Very low37.5Very low150 Ų150148.2 Ų148.280%0.80277%0.773SS**SBendtrans-114.917.5-175.1-90.425.5000115.1
294C35.4Very low37.5Very low117 Ų117150 Ų15079%0.79178%0.781SS**  trans-130.250-179.7-57.50000112.9
295N33.2Very low37.6Very low154 Ų154147.7 Ų147.782%0.82478%0.778SS**  trans-101.4131.2153-83-17.1000106.9
296L33.7Very low37.5Very low166 Ų166144.1 Ų144.187%0.86977%0.765SS**  trans88.883.7-167.1-73.467.5000115
297H37.3Very low37.6Very low182 Ų182142.8 Ų142.884%0.84376%0.761SS**  -163.4154.8104.1-136.8-100.9000112.5
298S35.3Very low37.3Very low81 Ų81144.4 Ų144.457%0.56677%0.766SS**  trans-88.5139.3-171.942.70000114.8
299F32.8Very low37Very low200 Ų200148.3 Ų148.388%0.87777%0.771SS**  trans72.2145.2141.1-85.1-99.9000122.9
300C38Very low36.9Very low112 Ų112147.8 Ų147.876%0.75777%0.767SS**  trans75.691.6155.6-62.90000121.9
301E33.5Very low36.8Very low167 Ų167146.5 Ų146.578%0.7876%0.764SS**  47.6138.9113.4-111.2-174-155.500124.1
302N39.3Very low36.7Very low142 Ų142142.1 Ų142.176%0.75976%0.761SS**  trans69.3134.3158.4-50.6-39.8000117.5
303G33.5Very low36.5Very low66 Ų66138.2 Ų138.268%0.6876%0.757SS**  cis165.7160.6-4.400000110.4
304A39.1Very low36.6Very low105 Ų105135.3 Ų135.387%0.86875%0.749SS**  trans63.6154.9170.500000117.9
305Q39.1Very low36.9Very low160 Ų160139.2 Ų139.275%0.74875%0.752SS**  cis-168.4165.3-33.7-134.6-176.513.500108.8
306N41.2Very low37.5Very low117 Ų117137.9 Ų137.963%0.62675%0.752SS**  trans78.8117.9148.1-58.1-22.5000123.5
307H40Very low38Very low155 Ų155134.9 Ų134.972%0.71875%0.751SS**  82.5106.4123.2-86.2-119.9000123.9
308L34.2Very low38Very low136 Ų136132.4 Ų132.471%0.71275%0.748SS**  62.7121.2110.9-105.3132.6000122
309R35Very low38Very low209 Ų209137.4 Ų137.479%0.78976%0.761SS**  123.195.2117.9-156.2169.9-174.41661.1118.7
310S35.6Very low38.3Very low95 Ų95133.5 Ų133.566%0.66475%0.748SS**  54.4143.2124.2-42.60000125
311H37.1Very low38.4Very low156 Ų156136.8 Ų136.872%0.72275%0.752SS**  trans112.2102.9141-72.6-69.8000121.4
312V36.9Very low38.5Very low127 Ų127139.4 Ų139.477%0.7776%0.755SS**  63.8142.9117.2178.30000121.3
313S37.5Very low38.5Very low106 Ų106138.7 Ų138.774%0.74176%0.755SS**  trans94147.6158.8-149.80000117.3
314S40.8Very low38.8Very low89 Ų89143.5 Ų143.562%0.62276%0.76SS**  cis-167.5166.9-39.758.20000111.1
315K41.6Very low38.9Very low198 Ų198147.6 Ų147.686%0.86176%0.758SS**  trans79.1145.3158.1-69.7177.5178.3177.80121.6
316P47Very low38.6Very low127 Ų127149 Ų14983%0.82577%0.765SS**  trans-108.2177.9175.542.8-35.3000113.9
317A43.3Very low38.5Very low103 Ų103146.9 Ų146.985%0.85177%0.771SS**  trans-143.5164.6169.800000112.7
318V37.4Very low37.9Very low129 Ų129147.6 Ų147.678%0.78277%0.774SS**  trans-133.6145.7-164.7173.20000109.8
319F36.1Very low38.1Very low187 Ų187147.3 Ų147.382%0.8278%0.777SS**  trans-158.3159.1141.2-136.5-112.1000116.3
320L37.9Very low38.1Very low117 Ų117142.3 Ų142.361%0.61377%0.771SS**  trans-48.7170.2180-92.179.1000116
321E41Very low38.3Very low181 Ų181144 Ų14485%0.84678%0.777SS**  cis-157.1173.544.2-150.5164.7179.800115.6
322R34.2Very low38.3Very low223 Ų223145 Ų14584%0.84278%0.782SS**  trans-107.1159.7-179.8-59.9179.9-174.4111.5-1.8111.3
323V41.1Very low38.4Very low126 Ų126144.5 Ų144.576%0.76478%0.783SS**  162.2107.6119.9160.70000111.9
324Q38.5Very low38.8Very low168 Ų168145.3 Ų145.379%0.78579%0.785SS**  50.1108.7129.6-153.5-179.217.100121
325K41.1Very low38.7Very low190 Ų190150 Ų15083%0.82680%0.795SS**  -173.8157.8111.7-102.3171.6-176176.90114.1
326Q33.9Very low38.6Very low191 Ų191147 Ų14789%0.89379%0.792SS**  trans-55.5144.7-167.4-65144.6-41.100116.3
327G37.7Very low38Very low72 Ų72146 Ų14674%0.74278%0.784SS**  trans-166.599.9167.200000110.4V329G327-V329 PolarHBondContact O-N 3.42Å
328H29.3Very low37.9Very low169 Ų169147.2 Ų147.278%0.78278%0.78SS**  trans-79.3106-170.6177.2-76.8000112T330H328-T330 PolarHBondContact CE1-OG1 3.04Å
329V36.9Very low38.2Very low130 Ų130149.4 Ų149.479%0.78878%0.779SS**  trans-131.7109.9166.7-177.30000109.7G327G327-V329 PolarHBondContact O-N 3.42Å
330T35.6Very low38.3Very low105 Ų105145.6 Ų145.664%0.64477%0.774SS**PPolyproline II helixtrans-76.9120.7176-42.60000109.4H328H328-T330 PolarHBondContact CE1-OG1 3.04Å
331V38.7Very low38.4Very low131 Ų131148.4 Ų148.479%0.79479%0.787SS**PPolyproline II helixtrans-88.6116.7170.8177.70000108.4
332E37.3Very low38.2Very low176 Ų176144 Ų14482%0.82278%0.777SS**PPolyproline II helixtrans-69.1133.5-179.5-64.6-169126.800112.5
333C39Very low38.4Very low117 Ų117140.5 Ų140.579%0.79178%0.775SS**PPolyproline II helixtrans-86.2129.3163.7-660000109.4K335C333-K335 PolarHBondContact O-N 2.74Å
334P47.3Very low38.3Very low123 Ų123142.1 Ų142.180%0.79978%0.776SS**  trans-67110177.326-32.4000110.6V336P334-V336 PolarHBondContact O-N 3.35Å
335K37.9Very low38.1Very low188 Ų188140.5 Ų140.582%0.81778%0.781SS**  trans-73.992.8-175.8-162.7174.5-171176.10110.5C333 T337C333-K335 PolarHBondContact O-N 2.74Å; K335-T337 VanDerWaalsContact C-N 3.35Å; K335-T337 PolarHBondContact O-N 2.77Å; K335-T337 PolarHBondContact O-OG1 2.99Å
336V39.9Very low38.4Very low134 Ų134140 Ų14081%0.81278%0.779SS**  trans-62.195.7174-179.90000109.2P334 V338P334-V336 PolarHBondContact O-N 3.35Å; V336-V338 PolarHBondContact O-N 2.97Å
337T35Very low38.7Very low105 Ų105136.9 Ų136.964%0.64478%0.776SS**  trans-86.197.8-178.5-58.80000108.6K335 K339K335-T337 VanDerWaalsContact C-N 3.35Å; K335-T337 PolarHBondContact O-N 2.77Å; K335-T337 PolarHBondContact O-OG1 2.99Å; T337-K339 PolarHBondContact O-N 2.82Å; T337-K339 VanDerWaalsContact O-N 3.12Å
338V40.4Very low39.1Very low129 Ų129141.9 Ų141.978%0.78278%0.78SS**  trans-69.2104.3169.6-178.30000107.9V336V336-V338 PolarHBondContact O-N 2.97Å
339K43.2Very low40.1Very low175 Ų175141 Ų14176%0.76178%0.781SS**  trans-73.6140.3168.7-73.6-173.8175.3-176.20109.5T337T337-K339 PolarHBondContact O-N 2.82Å; T337-K339 VanDerWaalsContact O-N 3.12Å
340P38.6Very low40.4Very low108 Ų108142.5 Ų142.570%0.70178%0.784SS**  trans-67.5141.6175.529.1-33.9000110.5S342P340-S342 PolarHBondContact O-N 3.33Å
341I39.7Very low41.5Very low176 Ų176145.2 Ų145.290%0.90379%0.794SS**  trans-82.590.7172.2-59.8171000107
342S36.6Very low42.6Very low89 Ų89146.1 Ų146.162%0.62279%0.794SS**  trans-149.763.8178.262.50000110.8P340P340-S342 PolarHBondContact O-N 3.33Å
343D39.6Very low44.4Very low149 Ų149142 Ų14280%0.79778%0.783SS**  trans-166.8164.2156.2-108.3-36.3000110
344M38Very low46.2Very low159 Ų159142.8 Ų142.878%0.78378%0.783SS**  trans83.360.3-175.1-54-66.896.200115.8
345C34.3Very low47.6Very low134 Ų134146.2 Ų146.291%0.90578%0.781SS**  trans-95.9108.6144.4-84.60000109.7
346K47.2Very low49.7Very low179 Ų179143.4 Ų143.478%0.77878%0.78SS**  trans-137.5124154.5-75.5-170.7177.1-176.80107.4E348K346-E348 PolarHBondContact O-N 2.88Å
347P41.5Very low51.4Low127 Ų127146.4 Ų146.483%0.82578%0.783SS**  trans-76.6108.5169.430.5-29000107.8
348E46.3Very low53.5Low177 Ų177145.9 Ų145.983%0.82779%0.789SS**  trans-74.9142.6164.5-69.1-169.7152.200109.3K346 N350K346-E348 PolarHBondContact O-N 2.88Å; E348-N350 PolarHBondContact O-N 3.26Å
349D48.8Very low55.3Low150 Ų150146.8 Ų146.880%0.80279%0.79SS**  trans-60131.8-170.7-69.9-62.7000112.4L351D349-L351 PolarHBondContact O-N 3.37Å
350N43.1Very low56.9Low161 Ų161143.4 Ų143.486%0.86179%0.786SS**  trans-71.374.7-179.8-70.4-68.6000111.6E348 L352E348-N350 PolarHBondContact O-N 3.26Å; N350-L352 PolarHBondContact O-N 2.98Å
351L58.7Low58.7Low163 Ų163145.8 Ų145.885%0.85379%0.791SS**  trans-71.2110.9163.9-63.2-177.3000108.6D349D349-L351 PolarHBondContact O-N 3.37Å
352L63.4Low59.6Low149 Ų149143.8 Ų143.878%0.7878%0.777SS**  trans-54.6144.9174.4-67.5170000110.3N350 V354N350-L352 PolarHBondContact O-N 2.98Å; L352-V354 PolarHBondContact O-N 3.4Å
353P74.5Confident60.8Low91 Ų91149.1 Ų149.159%0.59179%0.789SS**  trans-61.5111.1-179.925.3-34.1000110.6Y355P353-Y355 HydrophobicContact CB-CD2 4.44Å; P353-Y355 HydrophobicContact CB-CE2 3.84Å; P353-Y355 HydrophobicContact CG-CE2 3.87Å; P353-Y355 WeakPolarHBondContact O-CD2 3.18Å; P353-Y355 PolarHBondContact O-N 3.48Å
354V76.9Confident61.6Low132 Ų132149.8 Ų149.880%0.879%0.785SS**  trans-75.8114172.2178.10000108.1L352L352-V354 PolarHBondContact O-N 3.4Å
355Y76.8Confident62.2Low195 Ų195147.1 Ų147.177%0.76578%0.783SS**  trans-95.7106.6172.4-68.8-83.9000109.9P353P353-Y355 HydrophobicContact CB-CD2 4.44Å; P353-Y355 HydrophobicContact CB-CE2 3.84Å; P353-Y355 HydrophobicContact CG-CE2 3.87Å; P353-Y355 WeakPolarHBondContact O-CD2 3.18Å; P353-Y355 PolarHBondContact O-N 3.48Å
356T81.5Confident62.8Low130 Ų130146 Ų14680%0.79877%0.771SS**PPolyproline II helixtrans-85.5126.3165.413.10000109.7
357F75.6Confident62.9Low196 Ų196145.3 Ų145.386%0.8677%0.77SS**PPolyproline II helixtrans-70.5146.5165.4-71.7-85.3000109.6
358A79.7Confident63Low94 Ų94147 Ų14778%0.77777%0.773SS**PPolyproline II helixtrans-70.5147.6166.500000109.9
359D77.3Confident62.9Low148 Ų148146.9 Ų146.979%0.79177%0.772SS**PPolyproline II helixtrans-56.7141174.3-63.7-47.1000110.9I361D359-I361 PolarHBondContact O-N 3.07Å
360P78Confident62.6Low105 Ų105149.1 Ų149.168%0.68277%0.774SS**PPolyproline II helixtrans-62.7125.5-177.324.3-33.1000111.1H362P360-H362 PolarHBondContact O-N 2.9Å
361I74.6Confident62.5Low158 Ų158147.3 Ų147.381%0.8177%0.769SS**  trans-69.594.5-179.6-55.3173.7000109.5D359 K363D359-I361 PolarHBondContact O-N 3.07Å; I361-K363 PolarHBondContact O-N 3.06Å; I361-K363 VanDerWaalsContact O-N 3.09Å
362H59.9Low61.4Low133 Ų133144.7 Ų144.762%0.61677%0.771SS**  trans-67105169.4-90.4-101.6000110.5P360 F364P360-H362 PolarHBondContact O-N 2.9Å; H362-F364 HydrophobicContact CB-CD2 3.7Å; H362-F364 HydrophobicContact CB-CE2 3.44Å; H362-F364 VanDerWaalsContact CB-CE2 3.44Å; H362-F364 HydrophobicContact CB-CZ 4.1Å; H362-F364 AromaticContact CG-CE2 3.7Å; H362-F364 AromaticContact CG-CZ 3.91Å; H362-F364 AromaticContact ND1-CE1 3.93Å; H362-F364 AromaticContact ND1-CE2 3.59Å; H362-F364 AromaticContact ND1-CZ 3.29Å; H362-F364 VanDerWaalsContact ND1-CZ 3.29Å; H362-F364 WeakPolarHBondContact ND1-CZ 3.38Å; H362-F364 PolarHBondContact O-N 3.31Å
363K62Low60.7Low202 Ų202143.5 Ų143.588%0.87877%0.77SS**  trans-7673.2166-67.3-177-178.9177.40110.1I361 S365I361-K363 PolarHBondContact O-N 3.06Å; I361-K363 VanDerWaalsContact O-N 3.09Å; K363-S365 PolarHBondContact O-N 3.06Å
364F54.7Low58.9Low162 Ų162144.4 Ų144.471%0.71178%0.778SS**  trans-67.9123.5165.9-69.3-67.2000109.2H362H362-F364 HydrophobicContact CB-CD2 3.7Å; H362-F364 HydrophobicContact CB-CE2 3.44Å; H362-F364 VanDerWaalsContact CB-CE2 3.44Å; H362-F364 HydrophobicContact CB-CZ 4.1Å; H362-F364 AromaticContact CG-CE2 3.7Å; H362-F364 AromaticContact CG-CZ 3.91Å; H362-F364 AromaticContact ND1-CE1 3.93Å; H362-F364 AromaticContact ND1-CE2 3.59Å; H362-F364 AromaticContact ND1-CZ 3.29Å; H362-F364 VanDerWaalsContact ND1-CZ 3.29Å; H362-F364 WeakPolarHBondContact ND1-CZ 3.38Å; H362-F364 PolarHBondContact O-N 3.31Å
365S52Low57.4Low104 Ų104142.9 Ų142.973%0.72777%0.771SS**  trans-64.9134.7170.3-172.20000109K363 H367K363-S365 PolarHBondContact O-N 3.06Å; S365-H367 PolarHBondContact O-N 2.86Å
366V46.9Very low55.5Low110 Ų110140.3 Ų140.367%0.66778%0.776SS**SBendtrans-79.860.3-175.7-1710000110.4
367H49.2Very low54Low164 Ų164138.1 Ų138.176%0.75977%0.771SS**  trans-146.774.5171.7-85.158.6000107.6S365S365-H367 PolarHBondContact O-N 2.86Å
368D44.3Very low52.6Low163 Ų163137.7 Ų137.787%0.87277%0.771SS**  trans171.378148.1-87.8-21.7000110.9K370D368-K370 PolarHBondContact O-N 2.82Å
369H43.1Very low51.3Low175 Ų175141.4 Ų141.481%0.8177%0.772SS**  trans-93.870.9173.6-75.7-60.1000112.1
370K42Very low50.2Low196 Ų196142.3 Ų142.385%0.85277%0.772SS**  trans-159.499.2156.1-147170.9-174.7177.90113.8D368D368-K370 PolarHBondContact O-N 2.82Å
371T42.7Very low49.1Very low123 Ų123146.9 Ų146.976%0.75578%0.777SS**  165.1114128.7-68.50000107.8V373T371-V373 HydrophobicContact CG2-CG2 4Å; T371-V373 PolarHBondContact O-N 3.04Å
372A34.2Very low48.4Very low109 Ų109146.4 Ų146.490%0.90178%0.775SS**  trans-83107.3179.600000110.1
373V49.7Very low48.1Very low124 Ų124149.3 Ų149.375%0.75279%0.786SS**  trans-134.2109.3168.9178.10000109.2T371T371-V373 HydrophobicContact CG2-CG2 4Å; T371-V373 PolarHBondContact O-N 3.04Å
374S35.8Very low48.2Very low109 Ų109145.2 Ų145.276%0.76278%0.783SS**  trans-83.6148.6147.6178.90000106.4
375P45.2Very low47.9Very low100 Ų100142.9 Ų142.965%0.64979%0.786SS**  cis-144.3-176.531.937-14.1000116.8
376T38.2Very low48.4Very low142 Ų142143.3 Ų143.387%0.87179%0.786SS**  trans28.2102.5147.9-44.40000119
377A49.6Very low48.8Very low84 Ų84143.4 Ų143.469%0.69479%0.792SS**  trans-142.3148.3163.800000111.5
378H46.8Very low49Very low186 Ų186145.4 Ų145.486%0.86179%0.792SS**  trans-64137.4-174.7-72-112.1000112.5E380H378-E380 PolarHBondContact O-N 2.8Å
379H51.3Low49.5Very low172 Ų172145.8 Ų145.880%0.79679%0.794SS**  trans-78.983.1173.9-63.5-53000111.4
380E54.2Low50.1Low167 Ų167139.8 Ų139.878%0.7877%0.771SS**  trans-90.1118.6167-163.5166.8-139.900109.8H378 L382H378-E380 PolarHBondContact O-N 2.8Å; E380-L382 PolarHBondContact O-N 3.2Å; E380-L382 VanDerWaalsContact O-N 3.08Å
381Y55.7Low51.3Low201 Ų201136 Ų13679%0.78877%0.769SS**  trans-82.284.2-176.9-67.6-83.1000111.5F383Y381-F383 PolarHBondContact O-N 3.5Å
382L59.3Low52.1Low149 Ų149139 Ų13978%0.7877%0.772SS**  trans-78.7107.5167.4-78.3167.4000110.6E380 S384E380-L382 PolarHBondContact O-N 3.2Å; E380-L382 VanDerWaalsContact O-N 3.08Å; L382-S384 PolarHBondContact O-N 3.07Å
383F53.8Low53.2Low193 Ų193138.1 Ų138.185%0.84676%0.758SS**  trans-67.5113.3167.1-83.9-90000109.9Y381 C385Y381-F383 PolarHBondContact O-N 3.5Å; F383-C385 PolarHBondContact O-N 2.9Å
384S64.4Low53.3Low116 Ų116137.3 Ų137.381%0.81176%0.758SS**  trans-59110.2172.6-52.70000110.5L382L382-S384 PolarHBondContact O-N 3.07Å
385C48.8Very low54Low114 Ų114138.9 Ų138.977%0.7776%0.763SS**  trans-59.6133.7169-72.50000109F383 S387F383-C385 PolarHBondContact O-N 2.9Å; C385-S387 PolarHBondContact O-N 2.87Å
386P61.6Low53.9Low112 Ų112137.6 Ų137.673%0.72777%0.768SS**  trans-64.4112.3-178.525.1-33.2000109.8R388P386-R388 VanDerWaalsContact C-N 3.32Å; P386-R388 PolarHBondContact O-N 3.1Å
387S54.3Low54.3Low112 Ų112139.1 Ų139.178%0.78377%0.77SS**  trans-65.185.1-177.857.30000111.5C385C385-S387 PolarHBondContact O-N 2.87Å
388R53.6Low54.1Low206 Ų206143.5 Ų143.578%0.77778%0.78SS**  trans-79.3119.9164.8-62-164-172.3-163.69.3107.9P386 C390P386-R388 VanDerWaalsContact C-N 3.32Å; P386-R388 PolarHBondContact O-N 3.1Å; R388-C390 PolarHBondContact O-N 3.2Å
389L55.5Low53.7Low172 Ų172138.2 Ų138.290%0.90178%0.775SS**  trans-67.179.9165.8-84.272.8000109S391L389-S391 PolarHBondContact O-N 3.37Å
390C56Low53.4Low48 Ų48135.4 Ų135.432%0.32478%0.775SS.*  trans-80.6108.6164.9166.40000107.7R388 K392 C393R388-C390 PolarHBondContact O-N 3.2Å; C390-K392 PolarHBondContact O-N 2.96Å; C390-C393 HydrophobicContact CB-CB 3.56Å; C390-C393 WeakPolarHBondContact CB-SG 3.26Å; C390-C393 PolarHBondContact O-N 2.98Å; C390-C393 VanDerWaalsContact O-N 3.13Å; C390-C393 WeakPolarHBondContact SG-CB 3.17Å; C390-C393 PolarHBondContact SG-N 2.84Å; C390-C393 CovalentContact SG-SG 2.04Å; C390-C393 PolarHBondContact SG-SG 3.37Å
391S66.5Low52.7Low118 Ų118136.2 Ų136.283%0.82578%0.779SS**THydrogen-bonded Turntrans-62.7-3.6178.751.70000115L389L389-S391 PolarHBondContact O-N 3.37Å
392K60.1Low51.9Low185 Ų185136.6 Ų136.680%0.80479%0.785SS**THydrogen-bonded Turntrans-118.94.2179.6-62.2-174.7177.4-176.80114C390C390-K392 PolarHBondContact O-N 2.96Å
393C57.5Low50.9Low90 Ų90134.1 Ų134.161%0.60878%0.78SS**  trans-112.94.3-172.9-54.40000113.8C390 T395C390-C393 HydrophobicContact CB-CB 3.56Å; C390-C393 WeakPolarHBondContact CB-SG 3.26Å; C390-C393 PolarHBondContact O-N 2.98Å; C390-C393 VanDerWaalsContact O-N 3.13Å; C390-C393 WeakPolarHBondContact SG-CB 3.17Å; C390-C393 PolarHBondContact SG-N 2.84Å; C390-C393 CovalentContact SG-SG 2.04Å; C390-C393 PolarHBondContact SG-SG 3.37Å; C393-T395 PolarHBondContact O-N 2.89Å
394S51.4Low49.9Very low108 Ų108133.1 Ų133.176%0.75578%0.783SS**  trans-84.767.9-173.4-57.90000113.1
395T49.3Very low48.8Very low141 Ų141137.3 Ų137.387%0.86578%0.781SS**  trans-146.592170.7-9.10000109.2C393C393-T395 PolarHBondContact O-N 2.89Å
396G44.2Very low48.3Very low73 Ų73138.9 Ų138.975%0.75378%0.777SS**  trans151.329.9-179.300000118.2
397L47.1Very low47.4Very low174 Ų174141.8 Ų141.891%0.91179%0.785SS**  trans-132.6115.4162.6-79.4175.6000109.5
398I45.4Very low46.4Very low176 Ų176141.8 Ų141.890%0.90378%0.78SS**  trans-105.7127.4177.6-64.6172.3000107.6
399G38.9Very low45.5Very low75 Ų75137.1 Ų137.177%0.77378%0.775SS**  trans78.9137.7178.900000113.5
400S43.6Very low44.7Very low113 Ų113137.3 Ų137.379%0.7977%0.771SS**  cis-128.71578.552.90000112.3
401E39.8Very low44.1Very low185 Ų185139.7 Ų139.786%0.86479%0.788SS**  trans-64.4133176.1-53.7179.3130.800111.4
402F39.7Very low42.9Very low209 Ų209141 Ų14192%0.91779%0.786SS**  trans-138.3118.3145.8-106.2-79.1000111.4L404F402-L404 PolarHBondContact O-N 3.4Å
403S37.2Very low41.7Very low97 Ų97137.5 Ų137.568%0.67878%0.784SS**  trans-48.1121.6-170.5167.40000115.6R405S403-R405 PolarHBondContact O-N 3.02Å
404L33.4Very low41.2Very low172 Ų172141 Ų14190%0.90180%0.796SS**  trans-82.6106.6164.6-169.7147.6000110F402F402-L404 PolarHBondContact O-N 3.4Å
405R40.1Very low40.6Very low203 Ų203145.8 Ų145.877%0.76680%0.803SS**  trans-139.4120.3166.5-76.1-164.1177.5-161.40.2113S403S403-R405 PolarHBondContact O-N 3.02Å
406Q38.4Very low40.2Very low148 Ų148143.3 Ų143.369%0.69279%0.791SS**  trans53.295.4148-62.4170.8-87.600118.8
407I43.4Very low40.1Very low173 Ų173148.1 Ų148.189%0.88779%0.791SS**  -127.295.7120-56.9-177.5000107.9
408T33.3Very low40.3Very low111 Ų111146.8 Ų146.868%0.68178%0.784SS**  trans-95.4122.5162.944.30000108.4
409T34.9Very low40Very low109 Ų109141.7 Ų141.767%0.66976%0.761SS**  trans174.6138.2131.1330000110.7
410E38.9Very low40.5Very low176 Ų176146.5 Ų146.582%0.82276%0.763SS**  trans58.5126.9148.3-63.4151.6-129.900119.1
411S42.4Very low40.9Very low97 Ų97145.7 Ų145.768%0.67875%0.754SS**  cis-166164.14.950.50000111.9
412N43.1Very low42.5Very low146 Ų146142.6 Ų142.678%0.78174%0.743SS**  trans73.8100.6159.6-58-33.5000121.3
413S33.5Very low44.9Very low111 Ų111136.4 Ų136.478%0.77672%0.722SS**  trans41.996.9131.7-62.90000120.5
414I46.5Very low47.5Very low165 Ų165132.7 Ų132.785%0.84669%0.694SS**  -142.2108107-85.5132.6000106.9S416I414-S416 VanDerWaalsContact C-N 3.33Å; I414-S416 PolarHBondContact O-N 3.4Å
415K38.8Very low50.4Low207 Ų207129.6 Ų129.690%0.967%0.67SS**  trans-76.490.8169.4-168.6172.6-173.1174.30106.7K417K415-K417 VanDerWaalsContact C-N 3.3Å; K415-K417 PolarHBondContact O-N 3.25Å
416S42.9Very low53Low90 Ų90120 Ų12063%0.62963%0.634SS**  trans-60.89717343.50000108.5I414 I418I414-S416 VanDerWaalsContact C-N 3.33Å; I414-S416 PolarHBondContact O-N 3.4Å; S416-I418 PolarHBondContact O-N 2.92Å
417K41.9Very low55.6Low173 Ų173119.7 Ų119.775%0.75263%0.633SS**  trans-66.586166.4-168.2-171.4-171-175.20106.3K415 T419K415-K417 VanDerWaalsContact C-N 3.3Å; K415-K417 PolarHBondContact O-N 3.25Å; K417-T419 HydrophobicContact CD-CG2 3.96Å; K417-T419 HydrophobicContact CG-CG2 4.07Å; K417-T419 PolarHBondContact O-N 3.35Å; K417-T419 PolarHBondContact O-OG1 3.44Å
418I50.1Low57.9Low146 Ų146116.2 Ų116.275%0.74962%0.62SS**  trans-68.272.4159-53.5176.1000105.5S416 E420S416-I418 PolarHBondContact O-N 2.92Å; I418-E420 PolarHBondContact O-N 3.18Å
419T39.9Very low60.8Low70 Ų70113 Ų11343%0.42960%0.601SS.*  trans-54.6129.3147.829.90000105.9K417 T421K417-T419 HydrophobicContact CD-CG2 3.96Å; K417-T419 HydrophobicContact CG-CG2 4.07Å; K417-T419 PolarHBondContact O-N 3.35Å; K417-T419 PolarHBondContact O-OG1 3.44Å; T419-T421 PolarHBondContact O-N 3.37Å
420E48.8Very low63.6Low175 Ų175111.3 Ų111.382%0.81859%0.587SS**  trans-65.972.4171.4-61.5176129.900108.9I418 N422I418-E420 PolarHBondContact O-N 3.18Å; E420-N422 PolarHBondContact O-N 3.41Å
421T51.2Low66.2Low97 Ų97106.5 Ų106.560%0.59557%0.567SS**  trans-77.580.6174.253.70000107.3T419 T423T419-T421 PolarHBondContact O-N 3.37Å; T421-T423 WeakPolarHBondContact O-CG2 3.04Å; T421-T423 PolarHBondContact O-N 3.28Å; T421-T423 PolarHBondContact O-OG1 3.05Å
422N73.5Confident68.7Low120 Ų120108.8 Ų108.864%0.64257%0.567SS**  trans-21100161.9-86.2-0.6000112E420 D435E420-N422 PolarHBondContact O-N 3.41Å; N422-D435 WeakPolarHBondContact CA-OD2 3.35Å; N422-D435 HydrophobicContact CB-CB 3.85Å; N422-D435 WeakPolarHBondContact CB-OD2 3.2Å; N422-D435 VanDerWaalsContact O-CB 3.25Å; N422-D435 WeakPolarHBondContact O-CB 3.47Å; N422-D435 PolarHBondContact O-N 3.18Å
423T90.4Very high71.1Confident78 Ų78102 Ų10248%0.47953%0.531SS..EExtended strand (participates in β ladder)trans-136151.8178.452.80000109.6T421 N433 D435T421-T423 WeakPolarHBondContact O-CG2 3.04Å; T421-T423 PolarHBondContact O-N 3.28Å; T421-T423 PolarHBondContact O-OG1 3.05Å; T423-N433 CarbonylContact C-O 3.46Å; T423-N433 WeakPolarHBondContact CA-O 3.19Å; T423-N433 WeakPolarHBondContact CB-O 3.35Å; T423-D435 PolarHBondContact N-OD2 2.86Å
424W93.2Very high73.9Confident19 Ų1999.2 Ų99.27%0.07251%0.511CS..EExtended strand (participates in β ladder)trans-132.1151.5178.168.6-78.4000111C426 N433 S434 D435 R437 A439 C440 K447W424-C426 HydrophobicContact CE3-CB 4.29Å; W424-C426 HydrophobicContact CH2-CB 3.9Å; W424-C426 VanDerWaalsContact CZ3-CA 3.47Å; W424-C426 HydrophobicContact CZ3-CB 3.45Å; W424-C426 VanDerWaalsContact CZ3-CB 3.45Å; W424-N433 HydrophobicContact CD2-CB 4.25Å; W424-N433 HydrophobicContact CG-CB 4.46Å; W424-N433 HydrophobicContact CZ2-CB 4.04Å; W424-N433 PolarHBondContact N-O 3.49Å; W424-N433 PolarHBondContact O-N 2.9Å; W424-S434 PolarHBondContact NE1-O 3.35Å; W424-D435 WeakPolarHBondContact CB-OD1 3.34Å; W424-D435 PolarHBondContact N-OD1 3.48Å; W424-R437 PolarHBondContact NE1-O 3.14Å; W424-A439 VanDerWaalsContact CZ2-C 3.47Å; W424-C440 HydrophobicContact CH2-CB 4.21Å; W424-K447 HydrophobicContact CB-CD 4Å; W424-K447 HydrophobicContact CB-CG 4.42Å; W424-K447 HydrophobicContact CD2-CB 3.87Å; W424-K447 HydrophobicContact CD2-CD 3.79Å; W424-K447 HydrophobicContact CD2-CG 3.64Å; W424-K447 HydrophobicContact CE3-CB 3.9Å; W424-K447 HydrophobicContact CE3-CD 4.39Å; W424-K447 HydrophobicContact CE3-CG 3.73Å; W424-K447 HydrophobicContact CG-CD 3.57Å; W424-K447 HydrophobicContact CG-CG 3.94Å; W424-K447 HydrophobicContact CH2-CB 3.85Å; W424-K447 HydrophobicContact CZ2-CB 3.83Å; W424-K447 VanDerWaalsContact CZ3-CA 3.47Å; W424-K447 HydrophobicContact CZ3-CB 3.87Å; W424-K447 HydrophobicContact CZ3-CG 4.2Å
425R94.4Very high75.9Confident107 Ų10794 Ų9440%0.40449%0.485SS..EExtended strand (participates in β ladder)trans-105.9121-178.5-167.2175.3-175.7-172.8-2.6108.9E427 L430 L431R425-E427 PolarHBondContact O-N 3.02Å; R425-L430 WeakPolarHBondContact CG-O 3.3Å; R425-L430 PolarHBondContact NE-O 2.96Å; R425-L431 WeakPolarHBondContact CA-O 3.34Å
426C94.7Very high78.3Confident3 Ų393.8 Ų93.82%0.0248%0.484CS..  trans-68.5129.7173.8144.90000108.7W424 T428 C429 L430 L431 C440 C443W424-C426 HydrophobicContact CE3-CB 4.29Å; W424-C426 HydrophobicContact CH2-CB 3.9Å; W424-C426 VanDerWaalsContact CZ3-CA 3.47Å; W424-C426 HydrophobicContact CZ3-CB 3.45Å; W424-C426 VanDerWaalsContact CZ3-CB 3.45Å; C426-T428 PolarHBondContact O-N 3.32Å; C426-T428 VanDerWaalsContact O-N 3.16Å; C426-T428 PolarHBondContact SG-N 3.12Å; C426-T428 VanDerWaalsContact SG-N 3.36Å; C426-C429 WeakPolarHBondContact CB-SG 3.34Å; C426-C429 PolarHBondContact SG-N 3.49Å; C426-C429 PolarHBondContact SG-SG 3.4Å; C426-L430 WeakPolarHBondContact O-CA 3.44Å; C426-L430 PolarHBondContact O-N 3.01Å; C426-L431 PolarHBondContact N-O 3.23Å; C426-C440 HydrophobicContact CB-CB 3.51Å; C426-C443 WeakPolarHBondContact CB-SG 3.36Å; C426-C443 WeakPolarHBondContact SG-CB 3.4Å; C426-C443 CovalentContact SG-SG 2.09Å; C426-C443 PolarHBondContact SG-SG 3.47Å
427E91.4Very high80.4Confident141 Ų14194.7 Ų94.766%0.65947%0.474SS*.THydrogen-bonded Turntrans-59.9-27.4-176.6-67.3165.2-16200111.8R425 S448R425-E427 PolarHBondContact O-N 3.02Å; E427-S448 WeakPolarHBondContact OE1-CB 3.4Å; E427-S448 PolarHBondContact OE1-OG 2.99Å
428T92.7Very high82.7Confident100 Ų10092.1 Ų92.161%0.61347%0.472SS*.THydrogen-bonded Turntrans-88-51-179.9-32.20000114.2C426 L445C426-T428 PolarHBondContact O-N 3.32Å; C426-T428 VanDerWaalsContact O-N 3.16Å; C426-T428 PolarHBondContact SG-N 3.12Å; C426-T428 VanDerWaalsContact SG-N 3.36Å; T428-L445 HydrophobicContact CG2-CD1 3.9Å; T428-L445 WeakPolarHBondContact OG1-CD1 3.37Å
429C94.1Very high84.7Confident42 Ų4287 Ų8728%0.28445%0.452SS..THydrogen-bonded Turntrans-80.3-18.9179.958.30000112.7C426 L431 C440 C443C426-C429 WeakPolarHBondContact CB-SG 3.34Å; C426-C429 PolarHBondContact SG-N 3.49Å; C426-C429 PolarHBondContact SG-SG 3.4Å; C429-L431 HydrophobicContact CB-CB 4.09Å; C429-L431 PolarHBondContact O-N 2.96Å; C429-L431 WeakPolarHBondContact SG-CB 3.34Å; C429-C440 WeakPolarHBondContact CB-SG 3.09Å; C429-C440 WeakPolarHBondContact SG-CB 3.01Å; C429-C440 CovalentContact SG-SG 2.1Å; C429-C440 PolarHBondContact SG-SG 2.93Å; C429-C443 HydrophobicContact CB-CB 3.65Å; C429-C443 VanDerWaalsContact SG-SG 3.65Å
430L92.5Very high87.4Confident74 Ų7483.8 Ų83.839%0.38743%0.432SS..  trans52.99.3-166.4-62.7-177.9000115.5R425 C426R425-L430 WeakPolarHBondContact CG-O 3.3Å; R425-L430 PolarHBondContact NE-O 2.96Å; C426-L430 WeakPolarHBondContact O-CA 3.44Å; C426-L430 PolarHBondContact O-N 3.01Å
431L93.6Very high89.5Confident75 Ų7581 Ų8139%0.39342%0.419SS..  trans-74.8138.6176.1-169.174.9000110R425 C426 C429 N433 Q441R425-L431 WeakPolarHBondContact CA-O 3.34Å; C426-L431 PolarHBondContact N-O 3.23Å; C429-L431 HydrophobicContact CB-CB 4.09Å; C429-L431 PolarHBondContact O-N 2.96Å; C429-L431 WeakPolarHBondContact SG-CB 3.34Å; L431-N433 PolarHBondContact O-ND2 3.15Å; L431-N433 VanDerWaalsContact O-ND2 3.09Å; L431-Q441 HydrophobicContact CD2-CB 3.81Å; L431-Q441 HydrophobicContact CD2-CG 4.42Å
432E94.8Very high91.5Very high146 Ų14679 Ų7968%0.68242%0.417SS*.EExtended strand (participates in β ladder)trans-80.5123.3171.5-65.4177.1175.100109.8
433N93.5Very high92.6Very high4 Ų474.7 Ų74.72%0.02140%0.397CS..EExtended strand (participates in β ladder)trans-115.4149.1179.2-56.5-76.3000108.6T423 W424 L431 C440 Q441T423-N433 CarbonylContact C-O 3.46Å; T423-N433 WeakPolarHBondContact CA-O 3.19Å; T423-N433 WeakPolarHBondContact CB-O 3.35Å; W424-N433 HydrophobicContact CD2-CB 4.25Å; W424-N433 HydrophobicContact CG-CB 4.46Å; W424-N433 HydrophobicContact CZ2-CB 4.04Å; W424-N433 PolarHBondContact N-O 3.49Å; W424-N433 PolarHBondContact O-N 2.9Å; L431-N433 PolarHBondContact O-ND2 3.15Å; L431-N433 VanDerWaalsContact O-ND2 3.09Å; N433-C440 WeakPolarHBondContact OD1-CA 3.38Å; N433-Q441 PolarHBondContact OD1-N 3.26Å
434S92.3Very high92.6Very high51 Ų5175.7 Ų75.736%0.35741%0.407SS..EExtended strand (participates in β ladder)trans-67.4146.3169.852.40000111W424 K436 R437W424-S434 PolarHBondContact NE1-O 3.35Å; S434-K436 PolarHBondContact O-N 3.17Å; S434-K436 VanDerWaalsContact O-N 3.08Å; S434-R437 WeakPolarHBondContact O-CB 3.49Å; S434-R437 PolarHBondContact O-N 3.46Å
435D89Confident92.6Very high56 Ų5678.6 Ų78.630%0.29942%0.423SS..THydrogen-bonded Turntrans-66-10.7177.2-79.8-18.2000114N422 T423 W424 R437 K447N422-D435 WeakPolarHBondContact CA-OD2 3.35Å; N422-D435 HydrophobicContact CB-CB 3.85Å; N422-D435 WeakPolarHBondContact CB-OD2 3.2Å; N422-D435 VanDerWaalsContact O-CB 3.25Å; N422-D435 WeakPolarHBondContact O-CB 3.47Å; N422-D435 PolarHBondContact O-N 3.18Å; T423-D435 PolarHBondContact N-OD2 2.86Å; W424-D435 WeakPolarHBondContact CB-OD1 3.34Å; W424-D435 PolarHBondContact N-OD1 3.48Å; D435-R437 PolarHBondContact O-N 3.38Å; D435-K447 VanDerWaalsContact CG-NZ 3.3Å; D435-K447 IonicContact OD1-NZ 2.66Å; D435-K447 PolarHBondContact OD1-NZ 3.1Å; D435-K447 IonicContact OD2-NZ 3.67Å
436K88.7Confident92.5Very high202 Ų20277.8 Ų77.888%0.87843%0.432SS*.THydrogen-bonded Turntrans-68.4-14.4167.2-60.6-172.6179.2-174.40113S434S434-K436 PolarHBondContact O-N 3.17Å; S434-K436 VanDerWaalsContact O-N 3.08Å
437R87.4Confident92.2Very high109 Ų10981.7 Ų81.741%0.41145%0.448SS..  trans-101.6123.1179.8-73.1-176.4162.7176.2-14.7111.1W424 S434 D435 A439W424-R437 PolarHBondContact NE1-O 3.14Å; S434-R437 WeakPolarHBondContact O-CB 3.49Å; S434-R437 PolarHBondContact O-N 3.46Å; D435-R437 PolarHBondContact O-N 3.38Å; R437-A439 VanDerWaalsContact C-N 3.29Å
438V90.3Very high91.8Very high120 Ų12077.4 Ų77.473%0.72743%0.434SS*.SBendtrans-72.1-23.1174.5-176.40000111.8P446 K447V438-P446 CarbonylContact O-C 3.42Å; V438-P446 WeakPolarHBondContact O-CA 3.28Å; V438-K447 PolarHBondContact O-N 3.19Å
439A92.8Very high90.8Very high38 Ų3881.9 Ų81.931%0.31445%0.445SS..BIsolated β-bridgetrans-132.9153.8-178.600000113.4W424 R437 L445W424-A439 VanDerWaalsContact CZ2-C 3.47Å; R437-A439 VanDerWaalsContact C-N 3.29Å; A439-L445 CarbonylContact C-O 3.59Å; A439-L445 WeakPolarHBondContact CA-O 3.48Å
440C95.8Very high89Confident3 Ų385.8 Ų85.82%0.0247%0.47CS..  trans-67.4137.9179.9179.80000111.3W424 C426 C429 N433 G442 C443 S444 L445W424-C440 HydrophobicContact CH2-CB 4.21Å; C426-C440 HydrophobicContact CB-CB 3.51Å; C429-C440 WeakPolarHBondContact CB-SG 3.09Å; C429-C440 WeakPolarHBondContact SG-CB 3.01Å; C429-C440 CovalentContact SG-SG 2.1Å; C429-C440 PolarHBondContact SG-SG 2.93Å; N433-C440 WeakPolarHBondContact OD1-CA 3.38Å; C440-G442 PolarHBondContact O-N 2.09Å; C440-G442 PolarHBondContact SG-N 2.96Å; C440-C443 HydrophobicContact CB-CB 4.06Å; C440-C443 WeakPolarHBondContact CB-SG 3.34Å; C440-C443 PolarHBondContact SG-N 3.01Å; C440-S444 VanDerWaalsContact O-CA 3.27Å; C440-S444 WeakPolarHBondContact O-CA 3.47Å; C440-S444 PolarHBondContact O-N 3.24Å; C440-L445 PolarHBondContact N-O 2.1Å
441Q93.6Very high86.5Confident116 Ų11691.2 Ų91.254%0.54249%0.494SS..THydrogen-bonded Turntrans-62.2-21.6172.117960.688.200113.8L431 N433L431-Q441 HydrophobicContact CD2-CB 3.81Å; L431-Q441 HydrophobicContact CD2-CG 4.42Å; N433-Q441 PolarHBondContact OD1-N 3.26Å
442G93.7Very high84Confident54 Ų5496.5 Ų96.556%0.55752%0.516SS*.THydrogen-bonded Turntrans-104-48.1177.700000115C440C440-G442 PolarHBondContact O-N 2.09Å; C440-G442 PolarHBondContact SG-N 2.96Å
443C94.9Very high81.2Confident31 Ų3194 Ų9421%0.20952%0.52CS..THydrogen-bonded Turntrans-85-17-178.569.60000113.6C426 C429 C440 L445C426-C443 WeakPolarHBondContact CB-SG 3.36Å; C426-C443 WeakPolarHBondContact SG-CB 3.4Å; C426-C443 CovalentContact SG-SG 2.09Å; C426-C443 PolarHBondContact SG-SG 3.47Å; C429-C443 HydrophobicContact CB-CB 3.65Å; C429-C443 VanDerWaalsContact SG-SG 3.65Å; C440-C443 HydrophobicContact CB-CB 4.06Å; C440-C443 WeakPolarHBondContact CB-SG 3.34Å; C440-C443 PolarHBondContact SG-N 3.01Å; C443-L445 HydrophobicContact CB-CB 4.39Å; C443-L445 HydrophobicContact CB-CD1 4.02Å; C443-L445 HydrophobicContact CB-CG 4.19Å; C443-L445 PolarHBondContact O-N 3.11Å; C443-L445 VanDerWaalsContact SG-CB 3.53Å
444S91.2Very high78.8Confident98 Ų98102.3 Ų102.369%0.68556%0.559SS**  trans532.3-166.2-62.50000116C440C440-S444 VanDerWaalsContact O-CA 3.27Å; C440-S444 WeakPolarHBondContact O-CA 3.47Å; C440-S444 PolarHBondContact O-N 3.24Å
445L92.5Very high76.2Confident80 Ų80108.6 Ų108.642%0.41958%0.583SS.*PPolyproline II helixtrans-76147.5175.1-60.7162.3000110.7T428 A439 C440 C443T428-L445 HydrophobicContact CG2-CD1 3.9Å; T428-L445 WeakPolarHBondContact OG1-CD1 3.37Å; A439-L445 CarbonylContact C-O 3.59Å; A439-L445 WeakPolarHBondContact CA-O 3.48Å; C440-L445 PolarHBondContact N-O 2.1Å; C443-L445 HydrophobicContact CB-CB 4.39Å; C443-L445 HydrophobicContact CB-CD1 4.02Å; C443-L445 HydrophobicContact CB-CG 4.19Å; C443-L445 PolarHBondContact O-N 3.11Å; C443-L445 VanDerWaalsContact SG-CB 3.53Å
446P92Very high73.9Confident91 Ų91113.4 Ų113.459%0.59161%0.608SS**BIsolated β-bridgetrans-66.4158.3179.228.4-35.7000112.8V438 S448V438-P446 CarbonylContact O-C 3.42Å; V438-P446 WeakPolarHBondContact O-CA 3.28Å; P446-S448 PolarHBondContact O-N 3.12Å
447K90Very high71.5Confident84 Ų84114.2 Ų114.237%0.36561%0.607SS.*PPolyproline II helixtrans-62.9120.5169.2-176.4174.1-178.4172.60109.5W424 D435 V438 K449W424-K447 HydrophobicContact CB-CD 4Å; W424-K447 HydrophobicContact CB-CG 4.42Å; W424-K447 HydrophobicContact CD2-CB 3.87Å; W424-K447 HydrophobicContact CD2-CD 3.79Å; W424-K447 HydrophobicContact CD2-CG 3.64Å; W424-K447 HydrophobicContact CE3-CB 3.9Å; W424-K447 HydrophobicContact CE3-CD 4.39Å; W424-K447 HydrophobicContact CE3-CG 3.73Å; W424-K447 HydrophobicContact CG-CD 3.57Å; W424-K447 HydrophobicContact CG-CG 3.94Å; W424-K447 HydrophobicContact CH2-CB 3.85Å; W424-K447 HydrophobicContact CZ2-CB 3.83Å; W424-K447 VanDerWaalsContact CZ3-CA 3.47Å; W424-K447 HydrophobicContact CZ3-CB 3.87Å; W424-K447 HydrophobicContact CZ3-CG 4.2Å; D435-K447 VanDerWaalsContact CG-NZ 3.3Å; D435-K447 IonicContact OD1-NZ 2.66Å; D435-K447 PolarHBondContact OD1-NZ 3.1Å; D435-K447 IonicContact OD2-NZ 3.67Å; V438-K447 PolarHBondContact O-N 3.19Å; K447-K449 PolarHBondContact O-N 3.15Å
448S82Confident69.3Low52 Ų52118 Ų11836%0.36463%0.626SS.*PPolyproline II helixtrans-58.6129.9170.3420000109.8E427 P446E427-S448 WeakPolarHBondContact OE1-CB 3.4Å; E427-S448 PolarHBondContact OE1-OG 2.99Å; P446-S448 PolarHBondContact O-N 3.12Å
449K73Confident66.8Low193 Ų193118.5 Ų118.584%0.83963%0.63SS**PPolyproline II helixtrans-86.2125.3169.8-76.2-177.9178177.90108.1K447 Q451K447-K449 PolarHBondContact O-N 3.15Å; K449-Q451 PolarHBondContact O-N 3.44Å; K449-Q451 VanDerWaalsContact O-N 3.11Å
450P55.4Low64.4Low125 Ų125121.7 Ų121.781%0.81265%0.649SS**  trans-70.3106.1167.928.9-31.5000108.6
451Q40.2Very low61.8Low188 Ų188126.9 Ų126.988%0.87969%0.686SS**  trans-80123.8160.8-75.9-173.4-59.700107.9K449K449-Q451 PolarHBondContact O-N 3.44Å; K449-Q451 VanDerWaalsContact O-N 3.11Å
452H40.4Very low59.4Low185 Ų185125.6 Ų125.686%0.85670%0.695SS**  trans-58.5141.8175.9-105.6-108.9000110.7
453A36.2Very low57.2Low94 Ų94128.2 Ų128.278%0.77770%0.702SS**  trans-111.295.3167.200000108.7
454E42.8Very low54.7Low179 Ų179132.7 Ų132.784%0.83673%0.729SS**  trans-172.2159.1156.5-109.2170170.400108.8
455E38.9Very low52.4Low183 Ų183132.8 Ų132.886%0.85573%0.729SS**  trans6697.9-173.5-57-173.2135.900115.1
456L40.5Very low50.2Low157 Ų157134.2 Ų134.282%0.82274%0.741SS**  71.1120.366.8-63.4176.3000115.5
457Y38.6Very low48Very low219 Ų219137.7 Ų137.786%0.85975%0.749SS**  trans22.3102.4145.2-85.8-97.9000118.9
458F39.6Very low45.6Very low188 Ų188139.3 Ų139.383%0.82577%0.766SS**  -169.1154.6109-140.1-107.4000112.6
459V37.6Very low44Very low131 Ų131142.1 Ų142.179%0.79478%0.781SS**  trans-120.2112.1174.1174.30000109.8
460S42.3Very low42.5Very low104 Ų104141.2 Ų141.273%0.72778%0.78SS**  trans173.6147.3158.6-82.90000107.9
461S43.2Very low41.9Very low112 Ų112140.8 Ų140.878%0.78378%0.775SS**  cis-160.7151.5-6.440.90000108.4
462A41.8Very low41.8Very low89 Ų89137.6 Ų137.674%0.73677%0.774SS**  trans-67.9179.2172.800000111.1
463P47.7Very low42.1Very low110 Ų110135 Ų13571%0.71477%0.77SS**  cis-153.2-1742045.7-24000119.3
464T42.2Very low42.1Very low125 Ų125135.8 Ų135.877%0.76777%0.77SS**  trans69.2111.3149.5-46.10000119.7
465S43.1Very low42Very low100 Ų100132.2 Ų132.270%0.69977%0.765SS**  178.6132.893.3-144.60000115.2
466V47.1Very low42.4Very low110 Ų110131.9 Ų131.967%0.66777%0.768SS**  trans16.6121.2155.1-55.60000123
467H46.4Very low42.5Very low164 Ų164130 Ų13076%0.75977%0.768SS**  160.7104.3113.1-87.1-62.8000110.3
468T38Very low42.7Very low118 Ų118122.6 Ų122.672%0.72475%0.752SS**  75.313896.1-35.20000115
469V49.1Very low43.3Very low110 Ų110121.1 Ų121.167%0.66775%0.751SS**  trans93.995.8165-164.50000118.1
470E42.3Very low43.6Very low174 Ų174121.5 Ų121.581%0.81375%0.749SS**  trans75.1150.3138-64.5166.3-161.600123.9
471T41.6Very low43.7Very low116 Ų116125 Ų12571%0.71275%0.751SS**  trans78.182.7171.3-370000117.5V473T471-V473 HydrophobicContact CG2-CG2 4.31Å; T471-V473 PolarHBondContact O-N 3.11Å
472S39.1Very low44Very low122 Ų122128 Ų12885%0.85375%0.753SS**  trans-73.979.8172.857.70000113.5
473V45.9Very low44.7Very low129 Ų129128.1 Ų128.178%0.78275%0.753SS**  trans-116.359.8161.4-70.60000110.4T471T471-V473 HydrophobicContact CG2-CG2 4.31Å; T471-V473 PolarHBondContact O-N 3.11Å
474S37.1Very low46Very low111 Ų111125.9 Ų125.978%0.77674%0.74SS**  trans-13292-178.2-730000111.1
475S40.2Very low48.2Very low104 Ų104125.6 Ų125.673%0.72773%0.73SS**  trans-173.955.3159.6-83.70000112.6S477S475-S477 PolarHBondContact O-N 3.41Å
476L47.3Very low50.6Low177 Ų177121.7 Ų121.793%0.92770%0.7SS**SBendtrans-88.833.2162.3-84.6168000111.5
477S42.9Very low52.8Low118 Ų118121.3 Ų121.383%0.82569%0.691SS**  trans-137.322.8-167.4-460000113.4S475S475-S477 PolarHBondContact O-N 3.41Å
478A43Very low55.2Low62 Ų62113.5 Ų113.551%0.51266%0.655SS.*  trans-117.7-1.2-173.700000115.3N480A478-N480 PolarHBondContact O-N 3.48Å; A478-N480 VanDerWaalsContact O-N 3.11Å
479I51.5Low57.8Low157 Ų157112.5 Ų112.581%0.80565%0.65SS**  trans-87.839.3-177.8-39-177.1000111.7
480N43.8Very low59.9Low140 Ų140111.9 Ų111.975%0.74965%0.647SS**  trans-119.841.7165-80.77000109.9A478 E482A478-N480 PolarHBondContact O-N 3.48Å; A478-N480 VanDerWaalsContact O-N 3.11Å; N480-E482 PolarHBondContact O-N 3.46Å
481K45.2Very low62.5Low177 Ų177105.1 Ų105.177%0.7762%0.619SS**  trans-89.764.3165.5-75.1-172.6176.31800109.9A483K481-A483 PolarHBondContact O-N 3.46Å
482E48.5Very low64.9Low176 Ų176106.4 Ų106.482%0.82262%0.618SS**THydrogen-bonded Turntrans-62.345.2-179.1-72.8-82.9149.300114.3N480N480-E482 PolarHBondContact O-N 3.46Å
483A57.1Low67.6Low91 Ų91102.9 Ų102.975%0.75259%0.592SS**THydrogen-bonded Turntrans-154-13.9-175.400000117.7K481K481-A483 PolarHBondContact O-N 3.46Å
484S74.2Confident69.9Low63 Ų63102.8 Ų102.844%0.44158%0.581SS.*SBendtrans-139.832.5-164.572.80000116.9Q497S484-Q497 WeakPolarHBondContact O-CB 3.41Å; S484-Q497 PolarHBondContact O-N 3.08Å
485Q89.1Confident72.6Confident119 Ų11997.7 Ų97.756%0.55655%0.545SS*.EExtended strand (participates in β ladder)trans-135.8153.9170.9-67.5-175.8-10.700111N495Q485-N495 CarbonylContact C-O 3.44Å; Q485-N495 WeakPolarHBondContact CA-O 3.45Å; Q485-N495 VanDerWaalsContact CB-O 3.31Å; Q485-N495 WeakPolarHBondContact CB-O 3.43Å
486W92.8Very high75.1Confident18 Ų1899 Ų997%0.06854%0.54CS..EExtended strand (participates in β ladder)trans-122.6132.117464.6-82.5000110.9C488 N495 E496 A499 C502 R509W486-C488 HydrophobicContact CE3-CB 4.16Å; W486-C488 HydrophobicContact CH2-CB 4.11Å; W486-C488 HydrophobicContact CZ3-CB 3.48Å; W486-C488 VanDerWaalsContact CZ3-CB 3.48Å; W486-N495 HydrophobicContact CD2-CB 4.15Å; W486-N495 HydrophobicContact CZ2-CB 3.75Å; W486-N495 PolarHBondContact N-O 3.04Å; W486-N495 PolarHBondContact O-N 3.38Å; W486-N495 PolarHBondContact O-ND2 3.27Å; W486-E496 PolarHBondContact NE1-O 3.28Å; W486-A499 WeakPolarHBondContact CZ2-O 3.5Å; W486-A499 PolarHBondContact NE1-O 3.34Å; W486-C502 HydrophobicContact CH2-CB 4.17Å; W486-R509 HydrophobicContact CD2-CB 4.11Å; W486-R509 HydrophobicContact CD2-CG 3.66Å; W486-R509 HydrophobicContact CE3-CB 4.34Å; W486-R509 HydrophobicContact CE3-CG 4.07Å; W486-R509 HydrophobicContact CG-CG 3.97Å; W486-R509 VanDerWaalsContact CH2-CA 3.47Å; W486-R509 HydrophobicContact CH2-CB 3.89Å; W486-R509 HydrophobicContact CH2-CG 4.49Å; W486-R509 HydrophobicContact CZ2-CB 3.61Å; W486-R509 HydrophobicContact CZ2-CG 4.12Å; W486-R509 HydrophobicContact CZ3-CB 4.23Å; W486-R509 HydrophobicContact CZ3-CG 4.45Å
487E94.3Very high77Confident102 Ų10293.9 Ų93.948%0.47751%0.511SS..EExtended strand (participates in β ladder)trans-75.8134.1171.4-168.9-174166.100109.9F494E487-F494 HydrophobicContact CB-CD1 4.13Å; E487-F494 HydrophobicContact CB-CE1 3.94Å; E487-F494 HydrophobicContact CG-CE1 4.32Å; E487-F494 HydrophobicContact CG-CZ 4.45Å
488C95.9Very high79Confident0 Ų095.1 Ų95.10%051%0.508CS..  trans-87.4131.1178.4171.50000112.5W486 T490 C491 M492 V493 C502W486-C488 HydrophobicContact CE3-CB 4.16Å; W486-C488 HydrophobicContact CH2-CB 4.11Å; W486-C488 HydrophobicContact CZ3-CB 3.48Å; W486-C488 VanDerWaalsContact CZ3-CB 3.48Å; C488-T490 PolarHBondContact O-N 3.16Å; C488-T490 VanDerWaalsContact O-N 3.1Å; C488-T490 PolarHBondContact SG-N 3.03Å; C488-C491 WeakPolarHBondContact CB-SG 3.38Å; C488-C491 PolarHBondContact O-N 2.85Å; C488-C491 PolarHBondContact SG-SG 3.27Å; C488-M492 WeakPolarHBondContact O-CA 3.11Å; C488-M492 PolarHBondContact O-N 2.93Å; C488-V493 PolarHBondContact N-O 3Å; C488-V493 VanDerWaalsContact N-O 3.14Å; C488-C502 HydrophobicContact CB-CB 3.7Å; C488-C502 WeakPolarHBondContact SG-CB 3.47Å
489P92.9Very high81.2Confident96 Ų9693.5 Ų93.562%0.62350%0.495SS*.THydrogen-bonded Turntrans-65.4-17.7-176.427.5-37000114.6T507P489-T507 HydrophobicContact CG-CG2 4.47Å
490T93.7Very high83Confident97 Ų9790.7 Ų90.760%0.59549%0.486SS*.THydrogen-bonded Turntrans-97.5-40.6-179.9-48.50000112.8C488 T507C488-T490 PolarHBondContact O-N 3.16Å; C488-T490 VanDerWaalsContact O-N 3.1Å; C488-T490 PolarHBondContact SG-N 3.03Å; T490-T507 VanDerWaalsContact CB-OG1 3.3Å; T490-T507 WeakPolarHBondContact CB-OG1 3.33Å; T490-T507 WeakPolarHBondContact OG1-CG2 3.36Å; T490-T507 PolarHBondContact OG1-OG1 3.39Å
491C95.7Very high85.3Confident33 Ų3389.5 Ų89.522%0.22347%0.474CS..THydrogen-bonded Turntrans-104.6-12.8-171.764.10000113.8C488 V493 C502 C505C488-C491 WeakPolarHBondContact CB-SG 3.38Å; C488-C491 PolarHBondContact O-N 2.85Å; C488-C491 PolarHBondContact SG-SG 3.27Å; C491-V493 HydrophobicContact CB-CB 4.47Å; C491-V493 HydrophobicContact CB-CG2 4.16Å; C491-V493 PolarHBondContact O-N 2.87Å; C491-C502 WeakPolarHBondContact CB-SG 3.32Å; C491-C502 WeakPolarHBondContact SG-CB 3.41Å; C491-C502 CovalentContact SG-SG 2.08Å; C491-C502 PolarHBondContact SG-SG 3.43Å; C491-C505 HydrophobicContact CB-CB 3.85Å; C491-C505 WeakPolarHBondContact CB-SG 3.12Å; C491-C505 VanDerWaalsContact SG-SG 3.65Å
492M92.7Very high87.8Confident143 Ų14381.2 Ų81.270%0.70444%0.438SS*.  trans53.414.6-169.8-65.6174.217300114.5C488C488-M492 WeakPolarHBondContact O-CA 3.11Å; C488-M492 PolarHBondContact O-N 2.93Å
493V94.9Very high89.9Confident48 Ų4879.5 Ų79.529%0.29143%0.433SS..  trans-86.8132.6175.6179.20000109C488 C491 N495 I503 C504C488-V493 PolarHBondContact N-O 3Å; C488-V493 VanDerWaalsContact N-O 3.14Å; C491-V493 HydrophobicContact CB-CB 4.47Å; C491-V493 HydrophobicContact CB-CG2 4.16Å; C491-V493 PolarHBondContact O-N 2.87Å; V493-N495 PolarHBondContact O-ND2 3.46Å; V493-I503 HydrophobicContact CG1-CG2 4.22Å; V493-C504 HydrophobicContact CG2-CB 4.07Å
494F95.2Very high91.7Very high126 Ų12679.3 Ų79.355%0.55343%0.425SS*.EExtended strand (participates in β ladder)trans-71.6124.7170.5-65.4-84000110.4E487E487-F494 HydrophobicContact CB-CD1 4.13Å; E487-F494 HydrophobicContact CB-CE1 3.94Å; E487-F494 HydrophobicContact CG-CE1 4.32Å; E487-F494 HydrophobicContact CG-CZ 4.45Å
495N93.9Very high92.8Very high5 Ų578.5 Ų78.53%0.02742%0.419CS..EExtended strand (participates in β ladder)trans-117.2154.1179.6-50.1-83.5000109.6Q485 W486 V493 A499 C502 I503Q485-N495 CarbonylContact C-O 3.44Å; Q485-N495 WeakPolarHBondContact CA-O 3.45Å; Q485-N495 VanDerWaalsContact CB-O 3.31Å; Q485-N495 WeakPolarHBondContact CB-O 3.43Å; W486-N495 HydrophobicContact CD2-CB 4.15Å; W486-N495 HydrophobicContact CZ2-CB 3.75Å; W486-N495 PolarHBondContact N-O 3.04Å; W486-N495 PolarHBondContact O-N 3.38Å; W486-N495 PolarHBondContact O-ND2 3.27Å; V493-N495 PolarHBondContact O-ND2 3.46Å; N495-A499 HydrophobicContact CB-CB 4.23Å; N495-C502 VanDerWaalsContact OD1-CA 3.29Å; N495-C502 WeakPolarHBondContact OD1-CA 3.32Å; N495-I503 PolarHBondContact OD1-N 2.97Å
496E92.5Very high92.9Very high131 Ų13180 Ų8061%0.61243%0.426SS*.EExtended strand (participates in β ladder)trans-60.2147.2175.9-59.2-172.1163.400112.3W486 N498 A499W486-E496 PolarHBondContact NE1-O 3.28Å; E496-N498 PolarHBondContact O-N 3.34Å; E496-A499 VanDerWaalsContact O-CB 3.31Å; E496-A499 WeakPolarHBondContact O-CB 3.45Å; E496-A499 PolarHBondContact O-N 3.42Å
497Q87.3Confident92.9Very high69 Ų6981 Ų8132%0.32243%0.434SS..THydrogen-bonded Turntrans-55.1-28.7178.6-16471.6-42.300113.6S484 R509S484-Q497 WeakPolarHBondContact O-CB 3.41Å; S484-Q497 PolarHBondContact O-N 3.08Å; Q497-R509 PolarHBondContact O-NH1 3.25Å
498N85.7Confident92.7Very high144 Ų14481.8 Ų81.877%0.7744%0.441SS*.THydrogen-bonded Turntrans-81.4-15.6178.5-63.8-16.4000113.4E496 T500E496-N498 PolarHBondContact O-N 3.34Å; N498-T500 PolarHBondContact O-N 2.8Å
499A87.7Confident92.4Very high29 Ų2985.7 Ų85.724%0.2446%0.456CS..  trans-73.6120.2179.300000110.7W486 N495 E496 K501W486-A499 WeakPolarHBondContact CZ2-O 3.5Å; W486-A499 PolarHBondContact NE1-O 3.34Å; N495-A499 HydrophobicContact CB-CB 4.23Å; E496-A499 VanDerWaalsContact O-CB 3.31Å; E496-A499 WeakPolarHBondContact O-CB 3.45Å; E496-A499 PolarHBondContact O-N 3.42Å; A499-K501 VanDerWaalsContact C-N 3.29Å
500T89.6Confident92Very high98 Ų9885 Ų8560%0.60145%0.451SS*.SBendtrans-81.6-6.3176.655.70000113.4N498 L508 R509N498-T500 PolarHBondContact O-N 2.8Å; T500-L508 CarbonylContact O-C 3.46Å; T500-L508 WeakPolarHBondContact O-CA 3.21Å; T500-R509 PolarHBondContact O-N 2.85Å
501K93.1Very high90.9Very high115 Ų11584.9 Ų84.950%0.545%0.451SS..BIsolated β-bridgetrans-144.7147.4-175.7-64.3175.4-176.1179.30110.4A499 I503 T507 L508A499-K501 VanDerWaalsContact C-N 3.29Å; K501-I503 PolarHBondContact O-N 3.48Å; K501-T507 CarbonylContact C-O 3.53Å; K501-T507 VanDerWaalsContact CA-O 3.3Å; K501-T507 WeakPolarHBondContact CA-O 3.41Å; K501-L508 HydrophobicContact CG-CD2 3.97Å
502C96.1Very high89Confident2 Ų291.1 Ų91.11%0.01448%0.481CS..  trans-63.2131.3173.7163.20000109.4W486 C488 C491 N495 C504 C505 Q506 T507W486-C502 HydrophobicContact CH2-CB 4.17Å; C488-C502 HydrophobicContact CB-CB 3.7Å; C488-C502 WeakPolarHBondContact SG-CB 3.47Å; C491-C502 WeakPolarHBondContact CB-SG 3.32Å; C491-C502 WeakPolarHBondContact SG-CB 3.41Å; C491-C502 CovalentContact SG-SG 2.08Å; C491-C502 PolarHBondContact SG-SG 3.43Å; N495-C502 VanDerWaalsContact OD1-CA 3.29Å; N495-C502 WeakPolarHBondContact OD1-CA 3.32Å; C502-C504 PolarHBondContact O-N 3.01Å; C502-C504 PolarHBondContact SG-N 3.37Å; C502-C505 VanDerWaalsContact CB-SG 3.57Å; C502-C505 PolarHBondContact SG-N 2.84Å; C502-C505 PolarHBondContact SG-SG 3.14Å; C502-Q506 WeakPolarHBondContact O-CA 3.3Å; C502-Q506 PolarHBondContact O-N 3.27Å; C502-T507 PolarHBondContact N-O 2.96Å
503I94.2Very high86.9Confident141 Ų14189.3 Ų89.372%0.72347%0.474SS*.THydrogen-bonded Turntrans-63.8-29.3-178.5-163.7163.9000112.2V493 N495 K501V493-I503 HydrophobicContact CG1-CG2 4.22Å; N495-I503 PolarHBondContact OD1-N 2.97Å; K501-I503 PolarHBondContact O-N 3.48Å
504C94.7Very high84.5Confident86 Ų8690.4 Ų90.458%0.58148%0.483SS*.THydrogen-bonded Turntrans-91.4-34.8-179.7-62.40000115.1V493 C502V493-C504 HydrophobicContact CG2-CB 4.07Å; C502-C504 PolarHBondContact O-N 3.01Å; C502-C504 PolarHBondContact SG-N 3.37Å
505C95.9Very high82.6Confident47 Ų4791.3 Ų91.332%0.31850%0.5SS..THydrogen-bonded Turntrans-124.71.8-174.878.10000115.2C491 C502 T507C491-C505 HydrophobicContact CB-CB 3.85Å; C491-C505 WeakPolarHBondContact CB-SG 3.12Å; C491-C505 VanDerWaalsContact SG-SG 3.65Å; C502-C505 VanDerWaalsContact CB-SG 3.57Å; C502-C505 PolarHBondContact SG-N 2.84Å; C502-C505 PolarHBondContact SG-SG 3.14Å; C505-T507 PolarHBondContact O-N 3.35Å; C505-T507 VanDerWaalsContact SG-CB 3.52Å; C505-T507 PolarHBondContact SG-OG1 2.94Å
506Q92.5Very high81.2Confident149 Ų14992.2 Ų92.270%0.69651%0.506SS*.  trans60.13.4179.9-50.4-178.616.200116.4C502 L508C502-Q506 WeakPolarHBondContact O-CA 3.3Å; C502-Q506 PolarHBondContact O-N 3.27Å; Q506-L508 PolarHBondContact O-N 3.48Å
507T92.5Very high80.7Confident40 Ų4088.6 Ų88.625%0.24549%0.493CS..PPolyproline II helixtrans-54.5130.2172.7-67.70000109.9P489 T490 K501 C502 C505P489-T507 HydrophobicContact CG-CG2 4.47Å; T490-T507 VanDerWaalsContact CB-OG1 3.3Å; T490-T507 WeakPolarHBondContact CB-OG1 3.33Å; T490-T507 WeakPolarHBondContact OG1-CG2 3.36Å; T490-T507 PolarHBondContact OG1-OG1 3.39Å; K501-T507 CarbonylContact C-O 3.53Å; K501-T507 VanDerWaalsContact CA-O 3.3Å; K501-T507 WeakPolarHBondContact CA-O 3.41Å; C502-T507 PolarHBondContact N-O 2.96Å; C505-T507 PolarHBondContact O-N 3.35Å; C505-T507 VanDerWaalsContact SG-CB 3.52Å; C505-T507 PolarHBondContact SG-OG1 2.94Å
508L90.3Very high80.7Confident119 Ų11986.3 Ų86.362%0.62348%0.481SS*.BIsolated β-bridgetrans-57.2143.1179.3-70.7165.4000111.4T500 K501 Q506T500-L508 CarbonylContact O-C 3.46Å; T500-L508 WeakPolarHBondContact O-CA 3.21Å; K501-L508 HydrophobicContact CG-CD2 3.97Å; Q506-L508 PolarHBondContact O-N 3.48Å
509R90Very high81Confident82 Ų8286.4 Ų86.431%0.30947%0.472SS..PPolyproline II helixtrans-54.1130.2168.9-179.1173.7178.6-153-12.4108.4W486 Q497 T500 T511W486-R509 HydrophobicContact CD2-CB 4.11Å; W486-R509 HydrophobicContact CD2-CG 3.66Å; W486-R509 HydrophobicContact CE3-CB 4.34Å; W486-R509 HydrophobicContact CE3-CG 4.07Å; W486-R509 HydrophobicContact CG-CG 3.97Å; W486-R509 VanDerWaalsContact CH2-CA 3.47Å; W486-R509 HydrophobicContact CH2-CB 3.89Å; W486-R509 HydrophobicContact CH2-CG 4.49Å; W486-R509 HydrophobicContact CZ2-CB 3.61Å; W486-R509 HydrophobicContact CZ2-CG 4.12Å; W486-R509 HydrophobicContact CZ3-CB 4.23Å; W486-R509 HydrophobicContact CZ3-CG 4.45Å; Q497-R509 PolarHBondContact O-NH1 3.25Å; T500-R509 PolarHBondContact O-N 2.85Å; R509-T511 VanDerWaalsContact C-N 3.27Å; R509-T511 PolarHBondContact O-N 2.91Å
510P84Confident81.2Confident80 Ų8085.1 Ų85.152%0.51946%0.461SS..  trans-63.695.516926.4-31.8000107.6
511T71.2Confident81.2Confident96 Ų9684.6 Ų84.659%0.58946%0.46SS*.  trans-64.3150.2175.650.30000108.6R509 I513R509-T511 VanDerWaalsContact C-N 3.27Å; R509-T511 PolarHBondContact O-N 2.91Å; T511-I513 PolarHBondContact O-N 3.02Å
512N54.4Low81.1Confident163 Ų16383.9 Ų83.987%0.87247%0.465SS*.  trans-7370.5-177.7-167.1-9.9000110.5S514N512-S514 VanDerWaalsContact C-N 3.25Å; N512-S514 PolarHBondContact O-N 2.81Å
513I49Very low81Confident106 Ų10685.2 Ų85.254%0.54447%0.474SS..  trans-7486.8173.3-57.5175.1000106.9T511 T515 V517T511-I513 PolarHBondContact O-N 3.02Å; I513-T515 PolarHBondContact O-N 2.82Å; I513-V517 HydrophobicContact CG2-CG2 4.34Å
514S45.9Very low80.8Confident70 Ų7085.1 Ų85.149%0.4947%0.474SS..THydrogen-bonded Turntrans-1493.1160.342.60000115N512 S516N512-S514 VanDerWaalsContact C-N 3.25Å; N512-S514 PolarHBondContact O-N 2.81Å; S514-S516 VanDerWaalsContact C-N 3.29Å; S514-S516 WeakPolarHBondContact O-CB 3.4Å; S514-S516 PolarHBondContact O-N 3.48Å; S514-S516 PolarHBondContact O-OG 3.34Å
515T54Low80.6Confident146 Ų14683.7 Ų83.790%0.89646%0.463SS*.THydrogen-bonded Turntrans50.132.3138.161.40000117.6I513I513-T515 PolarHBondContact O-N 2.82Å
516S64.9Low80.4Confident24 Ų2486.6 Ų86.617%0.16847%0.471CS..  trans-146.76.3-173.656.70000116.9S514 K529S514-S516 VanDerWaalsContact C-N 3.29Å; S514-S516 WeakPolarHBondContact O-CB 3.4Å; S514-S516 PolarHBondContact O-N 3.48Å; S514-S516 PolarHBondContact O-OG 3.34Å; S516-K529 PolarHBondContact O-N 3.37Å; S516-K529 WeakPolarHBondContact OG-CE 3.39Å
517V81.6Confident80.2Confident55 Ų5579.5 Ų79.533%0.33344%0.438SS..EExtended strand (participates in β ladder)trans-92.3137.1171177.60000110I513 E526 N527I513-V517 HydrophobicContact CG2-CG2 4.34Å; V517-E526 HydrophobicContact CG1-CG 3.25Å; V517-E526 WeakPolarHBondContact CG1-OE1 3.25Å; V517-N527 WeakPolarHBondContact CA-O 3.48Å
518W88.6Confident79.8Confident20 Ų2083.6 Ų83.68%0.07646%0.459CS..EExtended strand (participates in β ladder)trans-147146175.469.5-77.8000112.6C520 N527 S530 C533 T538 K540W518-C520 HydrophobicContact CZ3-CB 4.2Å; W518-N527 HydrophobicContact CD2-CB 4.23Å; W518-N527 HydrophobicContact CG-CB 4.41Å; W518-N527 HydrophobicContact CZ2-CB 3.98Å; W518-N527 PolarHBondContact N-O 3.36Å; W518-N527 WeakPolarHBondContact O-CB 3.45Å; W518-N527 PolarHBondContact O-N 3.13Å; W518-N527 PolarHBondContact O-ND2 3.42Å; W518-S530 PolarHBondContact NE1-O 3.22Å; W518-C533 HydrophobicContact CH2-CB 4.01Å; W518-C533 HydrophobicContact CZ2-CB 4.4Å; W518-T538 WeakPolarHBondContact CH2-O 3.35Å; W518-K540 HydrophobicContact CD2-CB 4.03Å; W518-K540 HydrophobicContact CD2-CD 4.19Å; W518-K540 HydrophobicContact CD2-CG 3.71Å; W518-K540 HydrophobicContact CE3-CB 4.24Å; W518-K540 HydrophobicContact CE3-CG 4.05Å; W518-K540 HydrophobicContact CG-CD 3.99Å; W518-K540 HydrophobicContact CG-CG 3.95Å; W518-K540 HydrophobicContact CH2-CB 4.08Å; W518-K540 HydrophobicContact CZ2-CB 3.83Å; W518-K540 HydrophobicContact CZ2-CG 4.44Å; W518-K540 HydrophobicContact CZ3-CB 4.24Å
519Y90.5Very high79.2Confident147 Ų14785.6 Ų85.658%0.57646%0.462SS*.EExtended strand (participates in β ladder)trans-91.8133.9178-60.9-80.4000111E526Y519-E526 HydrophobicContact CD1-CB 4.18Å; Y519-E526 HydrophobicContact CE1-CB 3.86Å; Y519-E526 HydrophobicContact CE1-CG 4.07Å
520C91.4Very high78.6Confident1 Ų183.6 Ų83.61%0.00746%0.461CS..  trans-67.8132172.6-1790000110.1W518 T522 C523 L524 V525 C533 C536 T538W518-C520 HydrophobicContact CZ3-CB 4.2Å; C520-T522 PolarHBondContact O-N 2.97Å; C520-T522 VanDerWaalsContact O-N 3.14Å; C520-T522 WeakPolarHBondContact SG-CB 3.31Å; C520-T522 PolarHBondContact SG-N 2.88Å; C520-C523 HydrophobicContact CB-CB 3.88Å; C520-C523 WeakPolarHBondContact CB-SG 3.42Å; C520-C523 PolarHBondContact SG-N 2.81Å; C520-L524 VanDerWaalsContact O-CA 3.31Å; C520-L524 WeakPolarHBondContact O-CA 3.46Å; C520-L524 PolarHBondContact O-N 3.14Å; C520-V525 PolarHBondContact N-O 2.8Å; C520-C533 HydrophobicContact CB-CB 3.64Å; C520-C536 WeakPolarHBondContact CB-SG 3.46Å; C520-C536 WeakPolarHBondContact SG-CB 3.37Å; C520-C536 CovalentContact SG-SG 2.09Å; C520-C536 PolarHBondContact SG-SG 2.78Å; C520-T538 WeakPolarHBondContact SG-CB 3.23Å; C520-T538 PolarHBondContact SG-OG1 3.2Å
521P90.4Very high78.7Confident88 Ų8885.2 Ų85.257%0.57147%0.466SS*.THydrogen-bonded Turntrans-63.3-18.7171.726.9-34.1000112.8T538 P541P521-T538 HydrophobicContact CG-CG2 4.4Å; P521-P541 HydrophobicContact CG-CG 4.46Å
522T91.6Very high79.5Confident99 Ų9986.8 Ų86.861%0.60746%0.464SS*.THydrogen-bonded Turntrans-99.5-43.5179-310000114.1C520 C536 T538C520-T522 PolarHBondContact O-N 2.97Å; C520-T522 VanDerWaalsContact O-N 3.14Å; C520-T522 WeakPolarHBondContact SG-CB 3.31Å; C520-T522 PolarHBondContact SG-N 2.88Å; T522-C536 HydrophobicContact CG2-CB 4.36Å; T522-T538 WeakPolarHBondContact CB-OG1 3.38Å; T522-T538 PolarHBondContact OG1-OG1 3.03Å
523C93.7Very high81.4Confident31 Ų3179.2 Ų79.221%0.20942%0.424CS..THydrogen-bonded Turntrans-92.3-20.3-175.875.20000113.1C520 V525 C533 C535 C536C520-C523 HydrophobicContact CB-CB 3.88Å; C520-C523 WeakPolarHBondContact CB-SG 3.42Å; C520-C523 PolarHBondContact SG-N 2.81Å; C523-V525 HydrophobicContact CB-CB 4.38Å; C523-V525 HydrophobicContact CB-CG2 4.02Å; C523-V525 PolarHBondContact O-N 3.09Å; C523-V525 WeakPolarHBondContact SG-CB 3.3Å; C523-V525 PolarHBondContact SG-N 3.26Å; C523-V525 VanDerWaalsContact SG-N 3.37Å; C523-C533 WeakPolarHBondContact CB-SG 3.3Å; C523-C533 WeakPolarHBondContact SG-CB 3.43Å; C523-C533 CovalentContact SG-SG 2.1Å; C523-C533 PolarHBondContact SG-SG 3.36Å; C523-C535 HydrophobicContact CB-CB 4.03Å; C523-C536 HydrophobicContact CB-CB 3.6Å; C523-C536 VanDerWaalsContact CB-SG 3.54Å; C523-C536 PolarHBondContact SG-SG 3.05Å
524L89.9Confident83.4Confident139 Ų13978.6 Ų78.673%0.72843%0.428SS*.  trans51.42.5-164-64.9176.5000115.7C520C520-L524 VanDerWaalsContact O-CA 3.31Å; C520-L524 WeakPolarHBondContact O-CA 3.46Å; C520-L524 PolarHBondContact O-N 3.14Å
525V91Very high85.6Confident56 Ų5679.5 Ų79.534%0.33943%0.433SS..  trans-71.6139.9174.2-171.90000109.7C520 C523 N527 C535C520-V525 PolarHBondContact N-O 2.8Å; C523-V525 HydrophobicContact CB-CB 4.38Å; C523-V525 HydrophobicContact CB-CG2 4.02Å; C523-V525 PolarHBondContact O-N 3.09Å; C523-V525 WeakPolarHBondContact SG-CB 3.3Å; C523-V525 PolarHBondContact SG-N 3.26Å; C523-V525 VanDerWaalsContact SG-N 3.37Å; V525-N527 PolarHBondContact O-ND2 3.25Å; V525-C535 HydrophobicContact CG2-CB 4.13Å
526E91Very high87.5Confident107 Ų10774.2 Ų74.250%0.540%0.402SS..EExtended strand (participates in β ladder)trans-70.7124.2173.7-170.6-179.8143.200110.7V517 Y519V517-E526 HydrophobicContact CG1-CG 3.25Å; V517-E526 WeakPolarHBondContact CG1-OE1 3.25Å; Y519-E526 HydrophobicContact CD1-CB 4.18Å; Y519-E526 HydrophobicContact CE1-CB 3.86Å; Y519-E526 HydrophobicContact CE1-CG 4.07Å
527N89.2Confident88.6Confident0 Ų077.1 Ų77.10%042%0.422CS..EExtended strand (participates in β ladder)trans-117.1124.2-178.6-57.4-76.5000110.4V517 W518 V525 C533 C534V517-N527 WeakPolarHBondContact CA-O 3.48Å; W518-N527 HydrophobicContact CD2-CB 4.23Å; W518-N527 HydrophobicContact CG-CB 4.41Å; W518-N527 HydrophobicContact CZ2-CB 3.98Å; W518-N527 PolarHBondContact N-O 3.36Å; W518-N527 WeakPolarHBondContact O-CB 3.45Å; W518-N527 PolarHBondContact O-N 3.13Å; W518-N527 PolarHBondContact O-ND2 3.42Å; V525-N527 PolarHBondContact O-ND2 3.25Å; N527-C533 VanDerWaalsContact ND2-CB 3.32Å; N527-C533 WeakPolarHBondContact ND2-CB 3.14Å; N527-C533 WeakPolarHBondContact OD1-CA 3.29Å; N527-C533 WeakPolarHBondContact OD1-CB 3.2Å; N527-C534 PolarHBondContact OD1-N 2.92Å; N527-C534 PolarHBondContact OD1-SG 2.9Å; N527-C534 VanDerWaalsContact OD1-SG 3.37Å
528N83.5Confident89Confident127 Ų12776.6 Ų76.668%0.67942%0.419SS*.EExtended strand (participates in β ladder)trans-97107.818050.7-14.7000110.3S530N528-S530 PolarHBondContact O-N 3.39Å
529K76.5Confident89Confident160 Ų16080.1 Ų80.170%0.69644%0.442SS*.SBendtrans62.3-0.1172.6-64.6173.3-179.6-177.10117.6S516S516-K529 PolarHBondContact O-N 3.37Å; S516-K529 WeakPolarHBondContact OG-CE 3.39Å
530S79.3Confident89Confident41 Ų4176.1 Ų76.129%0.28743%0.428SS..  trans-86.2141.5174.962.70000112.7W518 N528 K532W518-S530 PolarHBondContact NE1-O 3.22Å; N528-S530 PolarHBondContact O-N 3.39Å; S530-K532 WeakPolarHBondContact CB-O 2.98Å; S530-K532 PolarHBondContact O-N 3.16Å; S530-K532 PolarHBondContact OG-O 2.84Å
531D84.1Confident88.4Confident114 Ų11480.2 Ų80.261%0.6146%0.455SS*.SBendtrans-76.2-7.9176-62.7-49.9000113.7V539 K540D531-V539 CarbonylContact O-C 3.57Å; D531-V539 WeakPolarHBondContact O-CA 3.42Å; D531-K540 PolarHBondContact O-N 2.96Å
532K89.9Confident87.4Confident129 Ų12983 Ų8356%0.56147%0.465SS*.BIsolated β-bridgetrans-132.5144178.2-55.7-175.2-176.2-173.60109.3S530 T538S530-K532 WeakPolarHBondContact CB-O 2.98Å; S530-K532 PolarHBondContact O-N 3.16Å; S530-K532 PolarHBondContact OG-O 2.84Å; K532-T538 CarbonylContact C-O 3.58Å; K532-T538 WeakPolarHBondContact CA-O 3.39Å
533C93.5Very high86Confident3 Ų380 Ų802%0.0245%0.454CS..  trans-70.1139.9176.8154.30000111.5W518 C520 C523 N527 C535 C536 S537 T538W518-C533 HydrophobicContact CH2-CB 4.01Å; W518-C533 HydrophobicContact CZ2-CB 4.4Å; C520-C533 HydrophobicContact CB-CB 3.64Å; C523-C533 WeakPolarHBondContact CB-SG 3.3Å; C523-C533 WeakPolarHBondContact SG-CB 3.43Å; C523-C533 CovalentContact SG-SG 2.1Å; C523-C533 PolarHBondContact SG-SG 3.36Å; N527-C533 VanDerWaalsContact ND2-CB 3.32Å; N527-C533 WeakPolarHBondContact ND2-CB 3.14Å; N527-C533 WeakPolarHBondContact OD1-CA 3.29Å; N527-C533 WeakPolarHBondContact OD1-CB 3.2Å; C533-C535 PolarHBondContact O-N 3.38Å; C533-C535 VanDerWaalsContact O-N 3.12Å; C533-C535 PolarHBondContact SG-N 2.99Å; C533-C536 WeakPolarHBondContact CB-SG 3.48Å; C533-C536 PolarHBondContact SG-N 3.42Å; C533-C536 PolarHBondContact SG-SG 2.98Å; C533-S537 VanDerWaalsContact O-CA 3.3Å; C533-S537 WeakPolarHBondContact O-CA 3.35Å; C533-S537 PolarHBondContact O-N 3.29Å; C533-T538 PolarHBondContact N-O 2.98Å
534C92Very high83.9Confident94 Ų9488.1 Ų88.164%0.63549%0.486SS*.THydrogen-bonded Turntrans-60.9-19.2179.360.40000114.3N527N527-C534 PolarHBondContact OD1-N 2.92Å; N527-C534 PolarHBondContact OD1-SG 2.9Å; N527-C534 VanDerWaalsContact OD1-SG 3.37Å
535C91.6Very high81.6Confident88 Ų8887.3 Ų87.360%0.59549%0.489SS*.THydrogen-bonded Turntrans-111-51.4179.5-59.10000115C523 V525 C533C523-C535 HydrophobicContact CB-CB 4.03Å; V525-C535 HydrophobicContact CG2-CB 4.13Å; C533-C535 PolarHBondContact O-N 3.38Å; C533-C535 VanDerWaalsContact O-N 3.12Å; C533-C535 PolarHBondContact SG-N 2.99Å
536C93.5Very high79.2Confident36 Ų3694.2 Ų94.224%0.24351%0.511CS..THydrogen-bonded Turntrans-83.1-16.9-179.754.10000113.2C520 T522 C523 C533 T538C520-C536 WeakPolarHBondContact CB-SG 3.46Å; C520-C536 WeakPolarHBondContact SG-CB 3.37Å; C520-C536 CovalentContact SG-SG 2.09Å; C520-C536 PolarHBondContact SG-SG 2.78Å; T522-C536 HydrophobicContact CG2-CB 4.36Å; C523-C536 HydrophobicContact CB-CB 3.6Å; C523-C536 VanDerWaalsContact CB-SG 3.54Å; C523-C536 PolarHBondContact SG-SG 3.05Å; C533-C536 WeakPolarHBondContact CB-SG 3.48Å; C533-C536 PolarHBondContact SG-N 3.42Å; C533-C536 PolarHBondContact SG-SG 2.98Å; C536-T538 WeakPolarHBondContact CB-OG1 3.29Å; C536-T538 PolarHBondContact O-N 3.16Å; C536-T538 WeakPolarHBondContact SG-CB 3.39Å; C536-T538 PolarHBondContact SG-OG1 3.14Å
537S87.9Confident76.5Confident85 Ų8594.6 Ų94.659%0.59453%0.525SS*.  trans55.60.9-163.4-630000116.2C533 V539C533-S537 VanDerWaalsContact O-CA 3.3Å; C533-S537 WeakPolarHBondContact O-CA 3.35Å; C533-S537 PolarHBondContact O-N 3.29Å; S537-V539 PolarHBondContact O-N 3.45Å
538T89.6Confident74.5Confident44 Ų44102 Ų10227%0.2756%0.559SS.*PPolyproline II helixtrans-54.9137.8172.8-490000110.1W518 C520 P521 T522 K532 C533 C536W518-T538 WeakPolarHBondContact CH2-O 3.35Å; C520-T538 WeakPolarHBondContact SG-CB 3.23Å; C520-T538 PolarHBondContact SG-OG1 3.2Å; P521-T538 HydrophobicContact CG-CG2 4.4Å; T522-T538 WeakPolarHBondContact CB-OG1 3.38Å; T522-T538 PolarHBondContact OG1-OG1 3.03Å; K532-T538 CarbonylContact C-O 3.58Å; K532-T538 WeakPolarHBondContact CA-O 3.39Å; C533-T538 PolarHBondContact N-O 2.98Å; C536-T538 WeakPolarHBondContact CB-OG1 3.29Å; C536-T538 PolarHBondContact O-N 3.16Å; C536-T538 WeakPolarHBondContact SG-CB 3.39Å; C536-T538 PolarHBondContact SG-OG1 3.14Å
539V89.5Confident72.1Confident93 Ų93102.1 Ų102.156%0.56457%0.565SS**BIsolated β-bridgetrans-69.8146.7178.4-173.10000110.2D531 S537 P541D531-V539 CarbonylContact O-C 3.57Å; D531-V539 WeakPolarHBondContact O-CA 3.42Å; S537-V539 PolarHBondContact O-N 3.45Å; V539-P541 WeakPolarHBondContact O-CD 3.34Å
540K89.3Confident70.3Confident63 Ų63101.1 Ų101.127%0.27457%0.565SS.*PPolyproline II helixtrans-56.9118.9173.8-177.2175.8-178.1179.30110.5W518 D531 N542 G543W518-K540 HydrophobicContact CD2-CB 4.03Å; W518-K540 HydrophobicContact CD2-CD 4.19Å; W518-K540 HydrophobicContact CD2-CG 3.71Å; W518-K540 HydrophobicContact CE3-CB 4.24Å; W518-K540 HydrophobicContact CE3-CG 4.05Å; W518-K540 HydrophobicContact CG-CD 3.99Å; W518-K540 HydrophobicContact CG-CG 3.95Å; W518-K540 HydrophobicContact CH2-CB 4.08Å; W518-K540 HydrophobicContact CZ2-CB 3.83Å; W518-K540 HydrophobicContact CZ2-CG 4.44Å; W518-K540 HydrophobicContact CZ3-CB 4.24Å; D531-K540 PolarHBondContact O-N 2.96Å; K540-N542 PolarHBondContact O-N 3.38Å; K540-N542 VanDerWaalsContact O-N 3.1Å; K540-G543 PolarHBondContact O-N 2.82Å
541P79.4Confident68.3Low88 Ų88105.5 Ų105.557%0.57159%0.591SS**THydrogen-bonded Turntrans-65.3-20.6-169.723.4-33.6000114.6P521 V539P521-P541 HydrophobicContact CG-CG 4.46Å; V539-P541 WeakPolarHBondContact O-CD 3.34Å
542N69Low66Low145 Ų145105.9 Ų105.978%0.77559%0.593SS**THydrogen-bonded Turntrans-11629175.8-7068000112.6K540 K544K540-N542 PolarHBondContact O-N 3.38Å; K540-N542 VanDerWaalsContact O-N 3.1Å; N542-K544 PolarHBondContact O-N 3.31Å
543G63.2Low63.6Low38 Ų38107.3 Ų107.339%0.39261%0.607SS.*  trans-65.8124.1167.100000110.3K540K540-G543 PolarHBondContact O-N 2.82Å
544K49.6Very low61Low200 Ų200112 Ų11287%0.8764%0.639SS**  trans-57.5135.2168.9-70.4-177.7178.2-178.60108.2N542 Y546N542-K544 PolarHBondContact O-N 3.31Å; K544-Y546 PolarHBondContact O-N 3.25Å
545P41.8Very low58.5Low123 Ų123112.5 Ų112.580%0.79964%0.644SS**  trans-62.911417925.5-33.2000109.4S547P545-S547 PolarHBondContact O-N 3.04Å
546Y40.5Very low55.9Low201 Ų201116.6 Ų116.679%0.78866%0.659SS**  trans-67.4119.3171.6-133.9-89.6000107.6K544 H548K544-Y546 PolarHBondContact O-N 3.25Å; Y546-H548 VanDerWaalsContact C-N 3.35Å; Y546-H548 PolarHBondContact O-N 2.69Å
547S33.2Very low53.2Low114 Ų114119.5 Ų119.580%0.79768%0.68SS**  trans-69.692.6177.7-68.80000109.6P545P545-S547 PolarHBondContact O-N 3.04Å
548H47.2Very low51Low155 Ų155124.7 Ų124.772%0.71869%0.692SS**  trans-83.3117161.5-78.9-74.9000108.8Y546 I550Y546-H548 VanDerWaalsContact C-N 3.35Å; Y546-H548 PolarHBondContact O-N 2.69Å; H548-I550 PolarHBondContact O-N 3.36Å
549T32.6Very low48.3Very low130 Ų130130.6 Ų130.680%0.79872%0.721SS**  trans-54.7109178.7-50.70000110.9T551T549-T551 PolarHBondContact O-N 3.17Å
550I40.8Very low45.9Very low139 Ų139130.3 Ų130.371%0.71373%0.728SS**  trans-70.1111.7170.8-62.1174.2000107.5H548 N552H548-I550 PolarHBondContact O-N 3.36Å; I550-N552 PolarHBondContact O-N 2.95Å
551T36.8Very low43.6Very low134 Ų134132.4 Ų132.482%0.82275%0.751SS**  trans-84.9108.7161.4-54.20000106.7T549T549-T551 PolarHBondContact O-N 3.17Å
552N35.2Very low42Very low122 Ų122136.9 Ų136.965%0.65276%0.764SS**  trans-62.2148-177.7-69.2-48.1000111.8I550I550-N552 PolarHBondContact O-N 2.95Å
553N39.5Very low40.5Very low159 Ų159135.9 Ų135.985%0.8577%0.765SS**  -149.8120.2127.3-91.5-29.2000109.4
554S39.4Very low39.5Very low101 Ų101142.8 Ų142.871%0.70679%0.792SS**  trans-1.3133.3156.254.60000117.1
555S38.5Very low39.2Very low104 Ų104136.4 Ų136.473%0.72778%0.783SS**  cis-164.1145.739.3-41.70000107.6
556L37.8Very low39.4Very low175 Ų175137.6 Ų137.692%0.91678%0.778SS**  -165.2158.960.5-107.5132.8000109.8
557S37.1Very low39.7Very low97 Ų97136.4 Ų136.468%0.67878%0.777SS**  trans-99.3164.1-164.658.60000116.3
558K40.6Very low40.6Very low194 Ų194138.4 Ų138.484%0.84377%0.774SS**  trans77.4135.4174.9-61.8172.6175.4174.70113.4
559L34Very low40.2Very low168 Ų168139.3 Ų139.388%0.8878%0.776SS**  cis-137.1168.729.5-152.266.7000113.2
560A39.4Very low40.6Very low86 Ų86136.6 Ų136.671%0.71177%0.774SS**  trans-82.3139.3-165.400000116.1
561S40.3Very low40.7Very low108 Ų108139.3 Ų139.376%0.75578%0.781SS**  trans20.7113.6145.358.30000120.9
562Q45.1Very low40.8Very low181 Ų181136.2 Ų136.285%0.84678%0.775SS**  trans-153153.4136-79.1-149.2-11.500110.4
563P38.2Very low41.3Very low124 Ų124137.4 Ų137.481%0.80579%0.787SS**  trans-83.4115.9-178.232.3-32.5000112G565P563-G565 PolarHBondContact O-N 3.01Å
564L43Very low41.4Very low183 Ų183141.5 Ų141.596%0.95879%0.79SS**  trans-89.3100.6176.3-120.470.6000111.1
565G41.8Very low41.4Very low66 Ų66138.7 Ų138.768%0.6878%0.777SS**  trans-172.317.7179.700000115.2P563P563-G565 PolarHBondContact O-N 3.01Å
566H47.1Very low41.5Very low149 Ų149139.1 Ų139.169%0.6978%0.778SS**  trans-96.4109.8175.2-174.168.7000109.8Q568H566-Q568 PolarHBondContact O-N 3.12Å
567F46.5Very low41.7Very low175 Ų175138.6 Ų138.677%0.76878%0.776SS**  trans-82.2103.6170.248-86.7000108.8
568Q51.2Low41.5Very low156 Ų156141.4 Ų141.473%0.72978%0.783SS**  trans-104.3123.9175.4-159.2168.62.700109.8H566 G570H566-Q568 PolarHBondContact O-N 3.12Å; Q568-G570 VanDerWaalsContact C-N 3.34Å; Q568-G570 PolarHBondContact O-N 3.27Å
569F40.4Very low41.5Very low174 Ų174136.6 Ų136.676%0.76377%0.774SS**  trans-71.990.1171.3-73.5-81.4000109.7F571F569-F571 VanDerWaalsContact C-N 3.28Å; F569-F571 HydrophobicContact CB-CD2 4.33Å; F569-F571 HydrophobicContact CB-CE2 4.45Å; F569-F571 HydrophobicContact CD1-CE2 4.46Å; F569-F571 PolarHBondContact O-N 2.83Å
570G39.6Very low41.7Very low73 Ų73137.2 Ų137.275%0.75377%0.773SS**  trans-76.762.9-178.100000114.5Q568 G572Q568-G570 VanDerWaalsContact C-N 3.34Å; Q568-G570 PolarHBondContact O-N 3.27Å; G570-G572 PolarHBondContact O-N 3.16Å
571F42.8Very low41.7Very low196 Ų196142.4 Ų142.486%0.8678%0.779SS**  trans-77.469.9164.3-69-74.8000110.1F569F569-F571 VanDerWaalsContact C-N 3.28Å; F569-F571 HydrophobicContact CB-CD2 4.33Å; F569-F571 HydrophobicContact CB-CE2 4.45Å; F569-F571 HydrophobicContact CD1-CE2 4.46Å; F569-F571 PolarHBondContact O-N 2.83Å
572G38.6Very low41.4Very low69 Ų69145.1 Ų145.171%0.71178%0.784SS**  trans-111.189.6-177.700000112.6G570 R574G570-G572 PolarHBondContact O-N 3.16Å; G572-R574 PolarHBondContact O-N 3.04Å; G572-R574 VanDerWaalsContact O-N 3.16Å
573V45.7Very low41.1Very low147 Ų147144.5 Ų144.589%0.89178%0.781SS**  trans-70.6106.6171.1178.40000109.1G575V573-G575 PolarHBondContact O-N 3.03Å
574R42.9Very low40.9Very low245 Ų245142.1 Ų142.193%0.92577%0.772SS**  trans-85.788174-162.9174.6-143.4-176.16.2110.6G572G572-R574 PolarHBondContact O-N 3.04Å; G572-R574 VanDerWaalsContact O-N 3.16Å
575G38.1Very low40.6Very low42 Ų42142.9 Ų142.943%0.43377%0.768SS.*  trans-65.2149.416600000111.7V573V573-G575 PolarHBondContact O-N 3.03Å
576P42.2Very low40.6Very low114 Ų114144.3 Ų144.374%0.7477%0.773SS**  trans-84.2116.6178.232.5-31.4000110.9
577N40.4Very low39.9Very low163 Ų163142.1 Ų142.187%0.87278%0.775SS**  trans-97106.8171.9-70.13.6000109.4
578N33.9Very low39.5Very low156 Ų156140.5 Ų140.583%0.83477%0.774SS**  trans-74.3138171.8-62.6-29.8000110.5
579S40.4Very low38.8Very low93 Ų93139.7 Ų139.765%0.6578%0.775SS**  trans-160.2120.2147.6-176.90000110.8
580E38.3Very low38.6Very low182 Ų182136.7 Ų136.785%0.8577%0.771SS**  trans54.699143.6-65.6162.4-147.700120.7
581K40.2Very low38.8Very low194 Ų194140.6 Ų140.684%0.84377%0.769SS**  -148125.5105.4-163.4167.7-178.3-179.80111.2
582L32.2Very low38.6Very low165 Ų165137.1 Ų137.186%0.86476%0.759SS**  trans-117.1114.8-179.2-95.7165.4000109.9
583E39.5Very low38.6Very low169 Ų169138.4 Ų138.479%0.7976%0.757SS**  trans-148.9116150.4-65.5-169.3154.400104.8
584A34.6Very low38.4Very low73 Ų73138.9 Ų138.960%0.60375%0.75SS**  cis84.1140.847.200000113.4
585F37Very low38.3Very low200 Ų200134.3 Ų134.388%0.87774%0.739SS**  trans70.8146.3177.7-43.8-72.3000116.5
586A40.4Very low38.4Very low96 Ų96138.7 Ų138.779%0.79375%0.752SS**  cis-161.2162.5-24.200000108.6
587S32.8Very low38.5Very low103 Ų103139.3 Ų139.372%0.7275%0.749SS**  trans-77.6161.8177.8-49.30000113.6
588N37.9Very low38.5Very low140 Ų140140 Ų14075%0.74975%0.745SS**  trans117.4118.2144.8-58.1-25.1000118.6
589N37.2Very low38.8Very low139 Ų139138.3 Ų138.374%0.74374%0.74SS**  69.3118.5127.5-63.3-14000124.3
590V36.3Very low38.8Very low112 Ų112142.6 Ų142.668%0.67975%0.749SS**  53.6115.7120.5-163.60000119.9
591H43.1Very low39.4Very low154 Ų154138.1 Ų138.171%0.71374%0.736SS**  -178.7151.3104-115.6-77.5000113.8
592D38Very low39.2Very low123 Ų123135.7 Ų135.766%0.65873%0.732SS**  trans63.2122151-62.8-27.6000121.8
593S39.9Very low39.4Very low96 Ų96135.9 Ų135.967%0.67173%0.726SS**  85.9138.967.7-55.90000111
594E40.6Very low39.4Very low158 Ų158134.7 Ų134.774%0.73872%0.721SS**  cis-161.1172.94.6-148.4168.3139.500110.5
595Q40.9Very low39.7Very low148 Ų148136.2 Ų136.269%0.69272%0.722SS**  trans84102.5142.2-123.7143.619.800124.8
596D40.8Very low39.8Very low134 Ų134134.9 Ų134.972%0.71772%0.719SS**  84.5148.4119.4-78.9-30.7000128
597D44.4Very low39.7Very low127 Ų127135.8 Ų135.868%0.67972%0.719SS**  trans83.584.2153.3-76.2-33.7000124.8
598K41Very low40.3Very low179 Ų179135.4 Ų135.478%0.77872%0.716SS**  57.3124.2105.5-80.3-168.1172.5167.40124.1
599V39Very low40.6Very low120 Ų120135.5 Ų135.573%0.72772%0.717SS**  86.1102.1120.1175.90000121.1
600H40.8Very low40.8Very low182 Ų182133.5 Ų133.584%0.84371%0.71SS**  trans65.1154.9130.4-106.2-114.6000123
601P50.2Low41Very low89 Ų89137.1 Ų137.158%0.57872%0.717SS**  trans-108165.9-172.741-31.1000114.1
602N37.2Very low40.8Very low143 Ų143134.2 Ų134.277%0.76571%0.714SS**  169.1145.1121.6-88.8-35.2000113.6
603K37Very low40.9Very low169 Ų169138.1 Ų138.174%0.73573%0.725SS**  trans70.3142.2145-83.3175.7150.9-133.90122.2
604E39.1Very low40.7Very low144 Ų144139.1 Ų139.167%0.67373%0.732SS**  trans86.6108.3136.6-82.8164.9-141.100121
605T39.7Very low40.8Very low104 Ų104136.2 Ų136.264%0.63873%0.727SS**  122.4115.9110.4-68.70000119.7
606E39.2Very low40.7Very low173 Ų173137.3 Ų137.381%0.80873%0.732SS**  trans83.1141.7141.8-81.7164.8-161.600127.1
607S39.6Very low40.4Very low114 Ų114138 Ų13880%0.79773%0.729SS**  trans75.7140.5155.377.20000118.1
608S43.8Very low40Very low95 Ų95141.7 Ų141.766%0.66474%0.739SS**  cis-159.6153.70.630.40000112.7
609D44Very low39.6Very low142 Ų142141.1 Ų141.176%0.75974%0.739SS**  trans62.5140140.8-75.3-40.8000124.2
610T43Very low39.5Very low98 Ų98139.5 Ų139.560%0.60173%0.733SS**  cis-162.1162-20.1-23.20000111.2
611F38.8Very low39.4Very low188 Ų188139.1 Ų139.183%0.82573%0.732SS**  trans59.9147.3163.5-71.6-84.6000120.4
612S39.1Very low38.7Very low93 Ų93139.2 Ų139.265%0.6573%0.734SS**  cis-177.8147.8-30.4-107.70000111.5
613K41.2Very low38.5Very low204 Ų204140.2 Ų140.289%0.88774%0.739SS**  trans57.8125.6161-70.4175.9174.5174.10118
614S35.5Very low38.5Very low117 Ų117136.6 Ų136.682%0.81874%0.74SS**  -156.5153.361.1-163.60000113.1
615P42.6Very low38.2Very low97 Ų97136.5 Ų136.563%0.6375%0.754SS**  trans-120.2159.5-165.342.6-31.3000116
616Q38.8Very low38Very low172 Ų172134.5 Ų134.580%0.80475%0.754SS**  trans54.8159.4135.4-72.8-159.525.900121
617K34Very low38Very low147 Ų147134.6 Ų134.664%0.63976%0.76SS**  cis172.1133.9-16.2169.6-177.2-178.9-178.90105.9
618K35.6Very low37.8Very low206 Ų206137.8 Ų137.890%0.89676%0.76SS**  trans-175133.5141.8-107161.9-174.5-177.50113.9
619Q33.7Very low37.4Very low166 Ų166138.4 Ų138.478%0.77676%0.755SS**  trans-70.3171157.8-61.8137.7-49.300108.2
620S37.7Very low37Very low87 Ų87140.4 Ų140.461%0.60876%0.764SS**  cis-163.3174.334.449.80000112.5
621E36.9Very low36.5Very low174 Ų174143.3 Ų143.381%0.81377%0.771SS**  trans69.1150.1159.6-68.2146.9-123.500119.6
622S35.6Very low36.4Very low90 Ų90140.6 Ų140.663%0.62977%0.77SS**  cis-165.9162.5-29.560.30000110.6
623L33.4Very low36.3Very low165 Ų165143.5 Ų143.586%0.86478%0.779SS**  trans75.3115.3155.7-69.2157.3000122
624A36.7Very low36.2Very low92 Ų92142.4 Ų142.476%0.7678%0.776SS**  trans8885.8130.300000122.1
625C33.2Very low36Very low142 Ų142143.5 Ų143.596%0.95977%0.77SS**  54.9118.9124.7-158.10000121.2
626G36.4Very low35.8Very low63 Ų63144.9 Ų144.965%0.64978%0.779SS**  trans16185.7164.500000112
627D38.6Very low35.4Very low174 Ų174144 Ų14493%0.9378%0.775SS**  trans-67.6154.4-170.6-91.6-45.6000115.6
628F35.6Very low35.4Very low182 Ų182144.7 Ų144.780%0.79879%0.785SS**  trans-79.9129.8-162.4-98.9-122.5000115.5
629I35.6Very low35.1Very low108 Ų108142 Ų14255%0.55477%0.773SS**  41.4111.6125.1-48-174.7000118.2Q631I629-Q631 HydrophobicContact CG2-CG 3.75Å
630L34.7Very low35Very low183 Ų183143.1 Ų143.196%0.95877%0.77SS**  -123.9139.4127.4-85.3178000110.3
631Q33.6Very low34.8Very low159 Ų159144.3 Ų144.374%0.74378%0.776SS**  trans-92.8-170.2-173.6-69.8160.9-84.800112.3I629I629-Q631 HydrophobicContact CG2-CG 3.75Å
632T36.3Very low34.5Very low132 Ų132140.4 Ų140.481%0.8177%0.767SS**  trans80.7105-179.7740000112.3
633N37.7Very low34.4Very low154 Ų154144.5 Ų144.582%0.82478%0.777SS**  cis65.1131.631.5-71.5-17.3000116.3
634H37.8Very low34.3Very low180 Ų180142.3 Ų142.383%0.83377%0.765SS**  trans82.5104.4164.2-89.4-79.5000121.6
635M32.4Very low34.1Very low141 Ų141144.2 Ų144.270%0.69576%0.763SS**PPolyproline II helixtrans-61.8133.7154.1174.1-176.472.700111.5Q637M635-Q637 HydrophobicContact CE-CG 3.94Å
636P37.4Very low34.2Very low125 Ų125141.5 Ų141.581%0.81275%0.746SS**PPolyproline II helixtrans-88.5121.8166.532.3-29.4000111.5
637Q30.4Very low34.2Very low154 Ų154143.9 Ų143.972%0.7275%0.747SS**PPolyproline II helixtrans-102.3129.3162.6-88.2-98.66.400108.2M635M635-Q637 HydrophobicContact CE-CG 3.94Å
638L33.8Very low34Very low161 Ų161142.8 Ų142.884%0.84374%0.741SS**  trans177.4106.5163-94.3145000106.3
639K29.9Very low34.3Very low149 Ų149138.8 Ų138.865%0.64874%0.736SS**  68101.461-150.7-170.8-179.8-172.20111.1
640W30.4Very low34.3Very low191 Ų191140.4 Ų140.472%0.72375%0.746SS**  169.5177.490.8-86.7103.4000108
641P34.5Very low34.7Very low112 Ų112139.6 Ų139.673%0.72774%0.741SS**  cis-125.4171.1-13.635.1-17.5000114.7
642S31.4Very low34.9Very low91 Ų91137.8 Ų137.864%0.63674%0.736SS**  trans-85.4179.2158.345.40000111.4
643Q33.3Very low35.1Very low176 Ų176141.2 Ų141.282%0.82274%0.74SS**  trans97.1140.1178.2-55.2-122.5-7.800114.8
644L31.1Very low35.1Very low120 Ų120142.8 Ų142.863%0.62874%0.74SS**  cis-160.7-178.8-25.4-142.2113.6000107.7
645D33Very low34.8Very low131 Ų131137.4 Ų137.470%0.70173%0.733SS**  trans71.4147.5159.2-68.8-50.4000121.1
646S33.3Very low35Very low86 Ų86138.7 Ų138.760%0.60174%0.741SS**  cis-171.6157.3-28.9-110.30000111.6
647T36.9Very low34.8Very low112 Ų112140.9 Ų140.969%0.68774%0.741SS**  trans68.9125.8149.6530000123.8
648N35.3Very low35.4Very low151 Ų151139.2 Ų139.281%0.80774%0.743SS**  trans72.3143.1132.7-62.9-9.3000120.4
649S40.7Very low35.4Very low99 Ų99135.8 Ų135.869%0.69273%0.732SS**  cis-164.8152.3-2.944.90000112.5
650N37.5Very low35.7Very low142 Ų142134.3 Ų134.376%0.75974%0.736SS**  trans32134149.7-66.5-23000121.8
651I42.1Very low35.8Very low165 Ų165131 Ų13185%0.84674%0.737SS**  -168.2136.497.9-90.6154.4000110.1
652D37.8Very low35.8Very low121 Ų121131.8 Ų131.865%0.64774%0.74SS**  trans-69.7162.4174.2-72.4-80000113.6
653F40.2Very low35.9Very low204 Ų204132.6 Ų132.690%0.89575%0.746SS**  -166.6148.5106.2-109.6-78000113.1
654K37.2Very low36Very low188 Ų188130.8 Ų130.882%0.81775%0.746SS**  trans-89.8139.9-169-72.3165.4172.5166.60113.7
655G32Very low36Very low67 Ų67136.4 Ų136.469%0.69176%0.759SS**  79.7137.8116.400000119.9
656I36.3Very low36.2Very low168 Ų168135.8 Ų135.886%0.86277%0.765SS**  trans165.1116.4130.7-84.1156.8000107.4
657E33.7Very low36.3Very low171 Ų171136.7 Ų136.780%0.79977%0.771SS**  trans-78.6157.5155.6-70.7-161.1150.500108.8
658P43.4Very low36.4Very low119 Ų119138.4 Ų138.477%0.77378%0.775SS**  -143.8159.298.936.7-22.1000115.2
659S32.6Very low36.2Very low88 Ų88139.7 Ų139.762%0.61578%0.777SS**  trans-82.2-177.7167.649.90000112.6
660T36.3Very low36Very low119 Ų119143.1 Ų143.173%0.7378%0.782SS**  trans80.8119.4160.646.60000121.6
661T33.4Very low35.8Very low122 Ų122142.6 Ų142.675%0.74878%0.784SS**  trans62.1127.5136.962.10000118.7
662T35.3Very low35.6Very low127 Ų127143.5 Ų143.578%0.77978%0.784SS**  -173.2153.457.2-53.60000110.3
663S31.6Very low35.3Very low109 Ų109145.5 Ų145.576%0.76279%0.794SS**  trans-78.3128.9171.2137.60000112.4
664V36.6Very low35.3Very low137 Ų137143.6 Ų143.683%0.8379%0.792SS**  trans-137.6129.2148-178.30000110
665R31.2Very low35.2Very low239 Ų239141.9 Ų141.990%0.90279%0.792SS**  trans-90.7128.3173.4175.3-169.9-166.21735.1108.9
666S37.4Very low35.5Very low118 Ų118143.5 Ų143.583%0.82579%0.793SS**  trans-149141.2152.6-162.30000111.4
667S34.7Very low35.7Very low104 Ų104141.6 Ų141.673%0.72779%0.79SS**  trans-94.4141.9173.7-178.10000109.1
668L38.3Very low35.6Very low148 Ų148137.1 Ų137.178%0.77579%0.789SS**  trans-161.3117.2142-163.158.9000110.5
669E31.7Very low35.3Very low178 Ų178140.3 Ų140.383%0.83279%0.791SS**  trans-77.4134.5157.9-67.1-176.9119.600108.9
670Q37.7Very low35.3Very low172 Ų172145.4 Ų145.480%0.80480%0.802SS**  trans-154.1124.1147.8-119.9166.231.700112.1
671T31.4Very low35.1Very low130 Ų130147.5 Ų147.580%0.79880%0.802SS**  trans-72.1133.6175.6-37.40000110.2
672Q38.4Very low35.1Very low184 Ų184147 Ų14786%0.8680%0.799SS**  trans-158.1129.5145.5-118.516085.800112.5
673L32.5Very low35Very low163 Ų163149.7 Ų149.785%0.85380%0.8SS**  trans-71.7140.4169-68.5157000109.2
674L38.9Very low35Very low164 Ų164150.4 Ų150.486%0.85980%0.8SS**  trans-158.9145.4146.2-107.9164.8000110.4
675N35.6Very low35Very low153 Ų153149.8 Ų149.882%0.81880%0.797SS**  trans-74.6154-172.9-51-58.9000111.9
676S37.5Very low35.4Very low101 Ų101144.5 Ų144.571%0.70679%0.791SS**  173.9151.5126.3-170.20000113.5
677T41.4Very low35.4Very low128 Ų128146 Ų14679%0.78579%0.79SS**  trans51.999.9151.940.50000120.1
678G32.7Very low35.8Very low77 Ų77149.1 Ų149.179%0.79480%0.798SS**  trans-73.4171.2174.700000117.1
679F36Very low35.5Very low186 Ų186149.5 Ų149.582%0.81680%0.8SS**  trans-128.3123.5163.7-102.7-94.1000109F681F679-F681 HydrophobicContact CD1-CE2 4.14Å
680K32.4Very low35.7Very low194 Ų194147.5 Ų147.584%0.84380%0.8SS**  trans-89.7129163.9-85.6-178.6173.2178.20108.1
681F33Very low35.4Very low164 Ų164143.9 Ų143.972%0.71979%0.794SS**  trans-108.3107.2159-89.2-83.8000109F679 F683F679-F681 HydrophobicContact CD1-CE2 4.14Å; F681-F683 HydrophobicContact CB-CE2 4.29Å; F681-F683 HydrophobicContact CD1-CE2 4.24Å; F681-F683 HydrophobicContact CD1-CZ 4.31Å
682T31.7Very low35.7Very low112 Ų112143.7 Ų143.769%0.68779%0.792SS**  trans-95.9117.8168.546.60000108.8
683F34.6Very low35.2Very low183 Ų183142.3 Ų142.380%0.80379%0.79SS**  trans-101.3116.3165.5-73.7-80.8000109F681F681-F683 HydrophobicContact CB-CE2 4.29Å; F681-F683 HydrophobicContact CD1-CE2 4.24Å; F681-F683 HydrophobicContact CD1-CZ 4.31Å
684T31.1Very low35.5Very low124 Ų124139.9 Ų139.976%0.76178%0.784SS**  trans-134.7107.2172.149.80000108.5
685T36.3Very low35.3Very low124 Ų124138.3 Ų138.376%0.76178%0.782SS**  trans-141.296.5173.1-55.30000111.1
686T40.7Very low35.3Very low127 Ų127139.2 Ų139.278%0.77979%0.786SS**  trans48.6123.4146.461.70000121.3
687N36.3Very low34.9Very low150 Ų150139.2 Ų139.280%0.80279%0.787SS**  trans-56.1151.6163.5-51.6-54000113.2
688N43Very low34.6Very low170 Ų170139 Ų13991%0.90979%0.79SS**  trans-131.5130.1146-95.3-37.1000109
689L33.2Very low34.7Very low156 Ų156141.4 Ų141.482%0.81779%0.789SS**  trans-97175.3177.8-86.2155.2000110.4
690V34.4Very low34.8Very low136 Ų136141.7 Ų141.782%0.82479%0.793SS**  trans77.7133.4169.7-164.60000112
691S32.8Very low34.9Very low96 Ų96140.9 Ų140.967%0.67179%0.79SS**  cis-152.8139.226.4-1440000115.1
692V36.3Very low35.2Very low125 Ų125138.7 Ų138.776%0.75879%0.785SS**  48.3120.2129.3-178.50000121.3
693N27.7Very low35.5Very low156 Ų156139.9 Ų139.983%0.83479%0.788SS**  trans-69.1143.1156.3-80.2-35.1000112.3
694P40.5Very low35.6Very low112 Ų112135.3 Ų135.373%0.72778%0.784SS**  trans-109.3116.9156.133.1-23.2000112N696P694-N696 PolarHBondContact O-N 3.35Å
695T34.6Very low36Very low131 Ų131136.2 Ų136.280%0.80478%0.783SS**  trans-72.8114.2164.136.80000110.1S697T695-S697 PolarHBondContact O-N 3.33Å
696N34.4Very low36Very low171 Ų171137.3 Ų137.391%0.91478%0.784SS**  trans-83.1101.2171.2-96.4-14.5000110.7P694P694-N696 PolarHBondContact O-N 3.35Å
697S29.5Very low35.7Very low102 Ų102135.1 Ų135.171%0.71377%0.774SS**  trans-122.4100.2162.657.80000109.1T695T695-S697 PolarHBondContact O-N 3.33Å
698S36.4Very low35.7Very low123 Ų123134.4 Ų134.486%0.8678%0.775SS**  trans-97.4107.8174.460.20000110.2
699V33.9Very low35.6Very low127 Ų127131.5 Ų131.577%0.7777%0.767SS**  trans-75.4127.1175.4173.10000110.9
700Q37.7Very low35.6Very low193 Ų193131.4 Ų131.490%0.90277%0.768SS**  trans-160.291151.1-104.8173.813.500106.1
701K35.6Very low36.1Very low176 Ų176130.1 Ų130.177%0.76576%0.762SS**  77133.369.5-150.8-155.1176178.90112.1
702N37.8Very low36.1Very low118 Ų118130 Ų13063%0.63176%0.762SS**  trans75.7135.6176.7-54.59000115
703D38.5Very low36.2Very low137 Ų137131.5 Ų131.573%0.73377%0.765SS**  cis-159.2150-10.7-95.7-35.8000109
704A37.8Very low36.7Very low87 Ų87128.6 Ų128.672%0.71976%0.757SS**  trans50.5136.6140.800000120.1
705L38.4Very low36.6Very low144 Ų144128.3 Ų128.375%0.75476%0.764SS**  cis-152.9153.511.7-71.5174.8000110
706L35.9Very low36.9Very low147 Ų147126 Ų12677%0.7776%0.759SS**  33.2144.1122.9-50.5172.9000119.3
707S36Very low37.1Very low81 Ų81124.3 Ų124.357%0.56675%0.754SS**  cis-177.9158.46.8-115.80000112.2
708T35.5Very low37.5Very low135 Ų135126.2 Ų126.283%0.82876%0.756SS**  trans62.4150.6146.3590000118.6
709S40.5Very low37.5Very low108 Ų108125.6 Ų125.676%0.75575%0.747SS**  cis-152.1134.325.155.30000114.3
710N34.4Very low37.6Very low155 Ų155129.4 Ų129.483%0.82975%0.749SS**  trans-64.4-180148.3-75.8-27.5000109.6
711P43.1Very low37.6Very low108 Ų108125 Ų12570%0.70174%0.735SS**  cis-152.2174.321.345.7-24.5000119.9
712S34.3Very low37.6Very low95 Ų95120.8 Ų120.866%0.66473%0.727SS**  trans39.7124.1138.866.80000123.1
713N38.1Very low37.7Very low156 Ų156124 Ų12483%0.83474%0.736SS**  -173.4152.6127.1-91.6-20.8000108.5
714S37.7Very low37.6Very low94 Ų94121.7 Ų121.766%0.65774%0.736SS**  cis-177.1131.8-24.850.50000108.2
715A38.9Very low38Very low106 Ų106122.7 Ų122.788%0.87674%0.735SS**  trans63.2154.3173.600000116.5
716A39.9Very low38Very low84 Ų84121.3 Ų121.369%0.69474%0.737SS**  cis-143.6148.811.600000113.2
717V39.3Very low38.3Very low134 Ų134118 Ų11881%0.81273%0.731SS**  trans32109.4136.4-170.60000115.9
718N38.8Very low38.8Very low143 Ų143123.6 Ų123.677%0.76575%0.746SS**  -150.8125.269.8-136.1-6.2000113.2
719V35.4Very low39.3Very low109 Ų109122.2 Ų122.266%0.66174%0.739SS**  trans-141.6121.7170170.30000107.1T721V719-T721 HydrophobicContact CG1-CG2 4.06Å
720Y36.6Very low39.3Very low208 Ų208123 Ų12382%0.81674%0.735SS**  trans-157.3112.7151.2-82.1-68000105.3
721T36.7Very low39.5Very low100 Ų100122.3 Ų122.361%0.61373%0.727SS**  49.1131.457.170.10000113.9V719V719-T721 HydrophobicContact CG1-CG2 4.06Å
722C36.2Very low39.1Very low87 Ų87124.2 Ų124.259%0.58873%0.726SS**  153.9125.4125.1-81.50000115.7
723F39.1Very low39.3Very low185 Ų185126.9 Ų126.981%0.81173%0.728SS**  trans51.7111.3139.1-53-58.4000122.7
724A37.3Very low39.1Very low90 Ų90125.5 Ų125.574%0.74473%0.726SS**  41.7172.4101.200000120.8
725P45.4Very low39.3Very low107 Ų107126.2 Ų126.270%0.69573%0.728SS**  cis-133.7-178.7-18.937.2-19.4000114.7
726S39.8Very low39.2Very low115 Ų115127 Ų12780%0.80472%0.721SS**  trans67.3156.3150.173.90000118.4
727A41.2Very low39Very low78 Ų78131.5 Ų131.565%0.64573%0.726SS**  cis-155.9141.97.800000111.8
728F47.2Very low38.9Very low198 Ų198131.4 Ų131.487%0.86872%0.721SS**  trans48.3163.4140-71.8-61.2000123
729P45.8Very low39Very low106 Ų106130.3 Ų130.369%0.68872%0.719SS**  cis-130.2-168.4-2940.2-21.9000110.5
730N39.3Very low39.3Very low125 Ų125132.2 Ų132.267%0.66873%0.725SS**  cis-157.6169.23.1-135.7-15.8000112.3
731H39.4Very low40.1Very low141 Ų141127 Ų12765%0.65372%0.716SS**  trans23.8120161.3-71.7-74.3000121
732Q35.6Very low40.5Very low147 Ų147128.4 Ų128.469%0.68772%0.72SS**  84133.358.2-81.1-172.5-20.900117
733Q37.3Very low40.7Very low151 Ų151132.5 Ų132.571%0.70673%0.729SS**  trans83.290.5143-76.6173.1-1.800122.3
734T35.1Very low40.9Very low128 Ų128127.1 Ų127.179%0.78573%0.726SS**  63.8-176.1124.760.90000117.3
735P41.9Very low41.3Very low108 Ų108130.1 Ų130.170%0.70173%0.726SS**  -125.9-168.4-95.539.7-21.2000113.6
736V35.6Very low41.2Very low122 Ų122132.6 Ų132.674%0.73973%0.734SS**  trans77.7107.4157.3167.30000117.7
737F36.4Very low41.2Very low180 Ų180131 Ų13179%0.78974%0.736SS**  trans70.3137144.7-79-110.4000123.3
738N36.7Very low41.5Very low132 Ų132131.3 Ų131.371%0.70675%0.746SS**  trans86.7105.9147.5-71.4-8.7000122.4
739V40.5Very low41.3Very low119 Ų119125.9 Ų125.972%0.72174%0.737SS**  59.998.2118.8-178.30000117.2
740D41.2Very low41.2Very low149 Ų149128.5 Ų128.580%0.79774%0.744SS**  57.2164.2124.1-76.4-19000121.5
741P54.2Low41.3Very low98 Ų98127.9 Ų127.964%0.63675%0.75SS**  cis-136.6-179.8-15.130.1-7.7000115.2
742D44.2Very low41.2Very low130 Ų130130.5 Ų130.570%0.69576%0.759SS**  92.7149.5125.5-102-27.5000126.2
743F41.6Very low41.5Very low173 Ų173129.1 Ų129.176%0.75976%0.761SS**  trans76.2112.2155.6-78.8-64.2000123.7
744G43.1Very low41.5Very low73 Ų73129.4 Ų129.475%0.75377%0.768SS**  trans129.5123.9136.100000115.3
745M46.6Very low41.7Very low152 Ų152128.8 Ų128.875%0.74977%0.769SS**  cis178.3170.6-12.9-120.9-71.3159.300106.2
746N42.8Very low42.1Very low160 Ų160129.6 Ų129.686%0.85677%0.774SS**  trans78.1125.2176.9-49.3-30.4000116.6
747G40.3Very low42.4Very low82 Ų82131.2 Ų131.285%0.84577%0.773SS**  cis166132.4-9.500000114.4
748G45.9Very low43.1Very low83 Ų83128.8 Ų128.886%0.85678%0.775SS**  trans118.8139.6158.100000116.6
749A43.7Very low43.3Very low84 Ų84126.1 Ų126.169%0.69477%0.767SS**  cis-164.6147.8-25.600000109.5
750I44.1Very low43.3Very low162 Ų162127 Ų12783%0.83177%0.768SS**  trans48.9141.2151.263.6-176.7000121.1
751S40Very low43.3Very low112 Ų112128.9 Ų128.978%0.78377%0.769SS**  cis-162.1167.8-3.3-105.20000111.8
752F39.2Very low42.9Very low195 Ų195129.8 Ų129.886%0.85577%0.773SS**  trans-97170.7-171.4-72.2-104.3000115.7
753T40.6Very low42.8Very low119 Ų119130.2 Ų130.273%0.7378%0.775SS**  trans120.3115.813464.20000120.6
754N38.7Very low43Very low157 Ų157126.4 Ų126.484%0.8477%0.77SS**  67132.8125.5-59.8-10.1000125
755S39.3Very low43Very low115 Ų115129.4 Ų129.480%0.80477%0.769SS**  trans-48.8171.9157.2-112.70000115.3
756P49.6Very low43Very low124 Ų124131.6 Ų131.681%0.80577%0.774SS**  cis-143.8-175.738.138.9-16.3000118.8
757Q42.6Very low43.3Very low157 Ų157127.2 Ų127.273%0.73477%0.767SS**  trans-70.7170.3-178.7-138.3-167.113.300114.6
758P49.5Very low43.6Very low128 Ų128130 Ų13083%0.83177%0.772SS**  -142.3-179105.839.3-25.7000115.5
759S40.8Very low43.8Very low77 Ų77141.2 Ų141.254%0.53879%0.788SS.*  trans-121.6168.5-161.255.50000115.5
760N42.1Very low43.8Very low137 Ų137144.1 Ų144.173%0.73379%0.793SS**  trans117.6154.8145.7-59.9-41.3000119.7
761F39.4Very low43.8Very low189 Ų189143.1 Ų143.183%0.82979%0.791SS**  trans74.3111.5-179.7-72.5-91.2000116.1
762V46.1Very low44Very low117 Ų117144.8 Ų144.871%0.70979%0.791SS**  cis66.5112.746.3-171.60000109.9
763D43.2Very low44.3Very low139 Ų139141.9 Ų141.974%0.74379%0.787SS**  -164.216558.2-140.9-33.4000115.6
764S44.9Very low44.6Very low92 Ų92143.3 Ų143.364%0.64379%0.791SS**  trans-22.8149.8166.9-48.80000121.8
765N43.7Very low44.9Very low137 Ų137142.4 Ų142.473%0.73379%0.788SS**  145.2147.494.3-132.5-35.4000116.9
766K47.4Very low45.4Very low198 Ų198144.4 Ų144.486%0.86179%0.786SS**  trans69142.8165.6-56.5168.1-177.7173.90118.2
767G48.2Very low45Very low68 Ų68145.9 Ų145.970%0.70179%0.785SS**  cis169.1163.5-5.600000112.8
768C47.1Very low45.2Very low141 Ų141145 Ų14595%0.95379%0.789SS**  trans68.7130.5-176.4-55.20000114.7
769R50.2Low44.8Very low317 Ų317146.5 Ų146.5100%1.19679%0.785SS**  cis-137.5027.6-157-175.9-155.6-174.96.7112.5

Retrieved 769 of 769 residues in 111.3 ms (Link to these results)