A0A087Y4V5_POEFO Loading...

Fibroblast growth factor

AlphaFold DB (A0A3P9NFM7), UniProt , Accession A0A087Y4V5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 249 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
1M52.1Low54.7Low249 Ų249124.5 Ų124.5100%1.22775%0.751SS**  058.90-148.5-179.3-70.100109.7
2A49.9Very low54.9Low107 Ų107125.8 Ų125.888%0.88474%0.742SS**  trans-14842-169.400000112.7
3A53Low54.9Low95 Ų95129.6 Ų129.679%0.78574%0.744SS**  trans-12816.8-178.600000113.7
4A56.8Low55.1Low87 Ų87133.9 Ų133.972%0.71974%0.742SS**SBendtrans-106.60.6-17100000115.5
5I53.3Low55.2Low163 Ų163132.9 Ų132.984%0.83673%0.73SS**SBendtrans-99.5-21.2-173.6-57.8-177.4000113.1S7I5-S7 PolarHBondContact O-N 3.31Å
6A52.9Low55.1Low78 Ų78129.1 Ų129.165%0.64572%0.721SS**Hα-helixtrans-80.6-14.8-177.700000114.7
7S55.5Low55.1Low83 Ų83134.2 Ų134.258%0.5873%0.727SS**Hα-helixtrans-80.5-22.6-173.7-43.40000113.9I5I5-S7 PolarHBondContact O-N 3.31Å
8G54.6Low55Low44 Ų44134 Ų13445%0.45472%0.72SS.*Hα-helixtrans-76.2-39.6-176.200000113.9I10 R11 Q12G8-I10 VanDerWaalsContact C-N 3.27Å; G8-I10 PolarHBondContact O-N 3.33Å; G8-R11 PolarHBondContact O-N 3.38Å; G8-Q12 PolarHBondContact O-N 3.17Å
9L56.1Low54.7Low139 Ų139136.2 Ų136.273%0.72873%0.726SS**Hα-helixtrans-66.8-28.3-175.3-121.789.8000113.1
10I58.4Low54.3Low127 Ų127136 Ų13665%0.65172%0.72SS**Hα-helixtrans-77-31.6-178.8-61.1173000111G8G8-I10 VanDerWaalsContact C-N 3.27Å; G8-I10 PolarHBondContact O-N 3.33Å
11R59.4Low53.8Low198 Ų198136.3 Ų136.375%0.74772%0.721SS**Hα-helixtrans-71.5-39.9177.3-89.7-174.9173.4-144.6-0.6112.7G8 K13 R14 Q15G8-R11 PolarHBondContact O-N 3.38Å; R11-K13 PolarHBondContact O-N 3.3Å; R11-R14 PolarHBondContact O-N 3.46Å; R11-Q15 PolarHBondContact O-N 3.38Å
12Q56.7Low53.5Low139 Ų139132.3 Ų132.365%0.6571%0.705SS**Hα-helixtrans-65.3-37.4178.8-81-175.4-23.100112.8G8 R14 Q15 A16G8-Q12 PolarHBondContact O-N 3.17Å; Q12-R14 VanDerWaalsContact C-N 3.29Å; Q12-R14 PolarHBondContact O-N 3.18Å; Q12-Q15 PolarHBondContact O-N 3.25Å; Q12-A16 PolarHBondContact O-N 3.33Å
13K54.9Low53.3Low176 Ų176136.7 Ų136.777%0.76570%0.698SS**Hα-helixtrans-72.7-20.3-179.3-153.6171.7-175.3175.50113.5R11R11-K13 PolarHBondContact O-N 3.3Å
14R57.2Low52.6Low189 Ų189137.6 Ų137.671%0.71370%0.696SS**Hα-helixtrans-82.6-40.4174.6-129176.5-174.9176.90.1111.8R11 Q12 A16 R17 E18R11-R14 PolarHBondContact O-N 3.46Å; Q12-R14 VanDerWaalsContact C-N 3.29Å; Q12-R14 PolarHBondContact O-N 3.18Å; R14-A16 PolarHBondContact O-N 3.23Å; R14-R17 PolarHBondContact O-N 3.14Å; R14-R17 VanDerWaalsContact O-N 3.14Å; R14-E18 PolarHBondContact O-N 3.44Å
15Q57.9Low51.9Low120 Ų120139 Ų13956%0.56170%0.7SS**Hα-helixtrans-65.9-36.7176.6-71.9177.7-24.400112.9R11 Q12 R17 E18R11-Q15 PolarHBondContact O-N 3.38Å; Q12-Q15 PolarHBondContact O-N 3.25Å; Q15-R17 PolarHBondContact O-N 3.49Å; Q15-E18 PolarHBondContact O-N 3.23Å
16A52.6Low51.4Low72 Ų72137.2 Ų137.260%0.59570%0.698SS**Hα-helixtrans-66.5-18174.800000113.7Q12 R14Q12-A16 PolarHBondContact O-N 3.33Å; R14-A16 PolarHBondContact O-N 3.23Å
17R54.9Low51.1Low215 Ų215141.1 Ų141.181%0.81171%0.708SS**Hα-helixtrans-92.2-19.5179.3-136.2179.4-173.9-1610.4113R14 Q15R14-R17 PolarHBondContact O-N 3.14Å; R14-R17 VanDerWaalsContact O-N 3.14Å; Q15-R17 PolarHBondContact O-N 3.49Å
18E52.9Low50.4Low131 Ų131148.4 Ų148.461%0.61272%0.722SS**Hα-helixtrans-88.1-21.2179.4-74.2174.917800112.9R14 Q15 H20R14-E18 PolarHBondContact O-N 3.44Å; Q15-E18 PolarHBondContact O-N 3.23Å; E18-H20 VanDerWaalsContact C-N 3.26Å; E18-H20 PolarHBondContact O-N 3.46Å
19Q49.7Very low49.8Very low176 Ų176157.6 Ų157.682%0.82274%0.743SS**THydrogen-bonded Turntrans-77.4-1.2177.2-70.4-174.7-6.400115
20H47.7Very low49Very low132 Ų132162.7 Ų162.761%0.61175%0.753SS**THydrogen-bonded Turntrans-115.729.8-175.1-154.5-76.3000113.4E18E18-H20 VanDerWaalsContact C-N 3.26Å; E18-H20 PolarHBondContact O-N 3.46Å
21L43.7Very low48Very low142 Ų142165.6 Ų165.674%0.74376%0.761SS**  trans-86-8.4175.5-81168.3000114.7
22D45.7Very low47Very low166 Ų166161.4 Ų161.489%0.88876%0.762SS**  trans-114.182.3176.8-71.8-39.5000111.8
23R45.6Very low46.5Very low199 Ų199161 Ų16175%0.75177%0.771SS**  trans-138.3121.9159.8-164172.7-177.8169.91.7110.3
24P38.8Very low45.8Very low114 Ų114159.3 Ų159.374%0.7477%0.771SS**  trans-70.1140.6-175.626.4-32.2000112T26P24-T26 PolarHBondContact O-N 3.28Å
25S42.3Very low45.1Very low115 Ų115160 Ų16080%0.80478%0.779SS**  trans-75.8107.5177.165.10000111.2
26T42.7Very low44.1Very low127 Ų127161 Ų16178%0.77979%0.788SS**  trans-92.9104.4168.959.90000110.3P24 R28P24-T26 PolarHBondContact O-N 3.28Å; T26-R28 PolarHBondContact O-N 3.29Å
27N45.3Very low43.5Very low160 Ų160167.3 Ų167.386%0.85680%0.802SS**  trans-59.6108.5161.7-89-36.6000109.8
28R41.4Very low42.5Very low235 Ų235160.4 Ų160.489%0.88780%0.797SS**  trans-139.8101.3156.6-82.3-164.4177.5177.3-0.3111.7T26 R30T26-R28 PolarHBondContact O-N 3.29Å; R28-R30 PolarHBondContact O-N 3.48Å
29R41Very low41.9Very low238 Ų238161.6 Ų161.690%0.89881%0.807SS**  trans-52.5108.1163.6-161.9177.6-172.5-176.23.7109.4
30R39.8Very low41.4Very low246 Ų246159.2 Ų159.293%0.92881%0.808SS**  trans-82113.7170.7-80.1-176.2173.9178.7-2109.1R28R28-R30 PolarHBondContact O-N 3.48Å
31K38.8Very low41Very low187 Ų187160.6 Ų160.681%0.81382%0.82SS**PPolyproline II helixtrans-84.1130.9162.6-74.7-177.2176.6-178.80108.4
32S37.5Very low40.8Very low111 Ų111157.3 Ų157.378%0.77682%0.821SS**PPolyproline II helixtrans-74.4136.617140.90000110.7
33P45.2Very low40.6Very low129 Ų129157.6 Ų157.684%0.83882%0.823SS**PPolyproline II helixtrans-82.2130.9-177.431.7-31.4000111.6
34N40.8Very low40.6Very low141 Ų141156.4 Ų156.475%0.75483%0.83SS**PPolyproline II helixtrans-82.4125.3167.9-171.712.3000108.9
35K41.8Very low41.1Very low205 Ų205156.7 Ų156.789%0.89183%0.83SS**  trans-146.1130159.2-84.8-166.5179.3177.90111
36N38.6Very low41.3Very low140 Ų140157.1 Ų157.175%0.74982%0.823SS**  trans-93.9157.4-178.4-102.9-21.3000111.6
37K40.1Very low41.4Very low205 Ų205158.6 Ų158.689%0.89182%0.824SS**  trans94.4126.9150.6-74.1172.2-178.6-174.90121
38G33.1Very low41.5Very low69 Ų69160 Ų16071%0.71182%0.823SS**  trans164.474.7159.800000109.1
39L40.1Very low41.6Very low157 Ų157153.3 Ų153.382%0.82281%0.812SS**  50.291.597.6-77.3168.4000115.1
40C38.5Very low42Very low125 Ų125151.8 Ų151.885%0.84581%0.812SS**  trans-142.6108.9139.453.90000108.3
41N40.4Very low42.4Very low161 Ų161145.3 Ų145.386%0.86180%0.8SS**  trans-79.2141.9170.8-76.3-24.7000109.2
42G39.6Very low43Very low74 Ų74146.7 Ų146.776%0.76380%0.8SS**  trans179.182.1169.600000110.8L44G42-L44 PolarHBondContact O-N 3.1Å
43N41.7Very low43.6Very low172 Ų172147.5 Ų147.592%0.9279%0.794SS**  trans-65120.2166-76-15.7000108.6
44L46Very low43.6Very low173 Ų173149.8 Ų149.891%0.90679%0.791SS**  trans-123.9108155.9-158.185.6000107.7G42G42-L44 PolarHBondContact O-N 3.1Å
45V48.8Very low44.1Very low121 Ų121146.3 Ų146.373%0.73379%0.789SS**  trans-64.7143.8170.5-990000110.6
46D46.8Very low44.5Very low124 Ų124143.9 Ų143.966%0.66379%0.785SS**  trans56.7113.8155.8-65.3-32.3000120.1
47I44Very low45.1Very low157 Ų157148.2 Ų148.281%0.80579%0.791SS**  -153.3102.5115.6-83.4135.5000107.2S49I47-S49 PolarHBondContact O-N 3.08Å; I47-S49 VanDerWaalsContact O-N 3.13Å
48F47.9Very low45.7Very low190 Ų190147.6 Ų147.683%0.83379%0.788SS**  trans-71.395.6164.2-92.8-91.5000109.1K50F48-K50 PolarHBondContact O-N 3.29Å; F48-K50 VanDerWaalsContact O-N 3.08Å
49S42.7Very low46.6Very low94 Ų94155.6 Ų155.666%0.65780%0.797SS**  trans-74.596.2160.3-54.10000108.6I47 V51I47-S49 PolarHBondContact O-N 3.08Å; I47-S49 VanDerWaalsContact O-N 3.13Å; S49-V51 PolarHBondContact O-N 3.05Å
50K49.1Very low47.3Very low206 Ų206159.5 Ų159.590%0.89680%0.801SS**  trans-59.275.2163.2-105.6177.9177.1171.40109.6F48 R52F48-K50 PolarHBondContact O-N 3.29Å; F48-K50 VanDerWaalsContact O-N 3.08Å; K50-R52 PolarHBondContact O-N 3.48Å
51V47.8Very low48.3Very low111 Ų111161.2 Ų161.267%0.67380%0.801SS**  trans-84.599.6161.3-173.70000106.3S49 I53S49-V51 PolarHBondContact O-N 3.05Å; V51-I53 HydrophobicContact CG1-CG1 3.86Å; V51-I53 PolarHBondContact O-N 3.46Å
52R52.6Low49.1Very low215 Ų215164.9 Ų164.981%0.81180%0.803SS**  trans-65.884.9164.9-161.9-179.8-166.7-179.82.8106.4K50 F54K50-R52 PolarHBondContact O-N 3.48Å; R52-F54 VanDerWaalsContact C-N 3.26Å; R52-F54 PolarHBondContact O-N 2.92Å
53I50.8Low50.1Low129 Ų129172.6 Ų172.666%0.66281%0.809SS**  trans-64.498.6169.1-62.6-173.3000105.4V51 G55V51-I53 HydrophobicContact CG1-CG1 3.86Å; V51-I53 PolarHBondContact O-N 3.46Å; I53-G55 PolarHBondContact O-N 3.37Å
54F43.5Very low51.4Low176 Ų176172 Ų17277%0.77280%0.8SS**  trans-44.9127.1168.8-85.9-96.2000108.3R52 L56R52-F54 VanDerWaalsContact C-N 3.26Å; R52-F54 PolarHBondContact O-N 2.92Å; F54-L56 PolarHBondContact O-N 3.41Å
55G51.9Low52.3Low69 Ų69168 Ų16871%0.71178%0.78SS**  trans-43.6110.2-168.700000112.7I53 R57I53-G55 PolarHBondContact O-N 3.37Å; G55-R57 PolarHBondContact O-N 3.3Å
56L49.8Very low53.3Low153 Ų153166.1 Ų166.180%0.80177%0.77SS**  trans-61.483147.1-74.6165.1000105.6F54 K58F54-L56 PolarHBondContact O-N 3.41Å; L56-K58 PolarHBondContact O-N 3Å
57R52.2Low55.2Low232 Ų232165.4 Ų165.488%0.87576%0.763SS**  trans-52.197.1148.5-81.2-176.7177.8-171.80103.3G55 R59G55-R57 PolarHBondContact O-N 3.3Å; R57-R59 PolarHBondContact O-N 3.04Å
58K51.3Low57.6Low191 Ų191159.6 Ų159.683%0.8373%0.733SS**  trans-52.394.3156.4-77.5-178.31791780103.2L56 R60L56-K58 PolarHBondContact O-N 3Å; K58-R60 PolarHBondContact O-N 3.07Å
59R51.9Low59.9Low237 Ų237157.5 Ų157.589%0.89472%0.723SS**  trans-51101.1157.9-86.9179.1162161.3-4.5101.6R57 L61R57-R59 PolarHBondContact O-N 3.04Å; R59-L61 VanDerWaalsContact C-N 3.26Å; R59-L61 PolarHBondContact O-N 2.79Å
60R54.9Low62.5Low239 Ų239153.2 Ų153.290%0.90270%0.695SS**  trans-52.8107.6172.6-74.6-179-179.8176.70.2102.4K58 R62K58-R60 PolarHBondContact O-N 3.07Å; R60-R62 PolarHBondContact O-N 2.96Å
61L60.9Low64.8Low162 Ų162145.6 Ų145.685%0.84866%0.663SS**  trans-49113.9170.9-159.884.9000103R59 R63R59-L61 VanDerWaalsContact C-N 3.26Å; R59-L61 PolarHBondContact O-N 2.79Å; L61-R63 VanDerWaalsContact C-N 3.3Å; L61-R63 PolarHBondContact O-N 2.85Å
62R57.4Low67.2Low238 Ų238140.9 Ų140.990%0.89864%0.635SS**  trans-52.6107.4176.7-99.8-170.7161.9-171.5-4.5103.9R60 Q64R60-R62 PolarHBondContact O-N 2.96Å; R62-Q64 PolarHBondContact O-N 3.41Å
63R60.9Low69.4Low236 Ų236130.7 Ų130.789%0.89160%0.596SS**  trans-58.7112.9171.2-79.3-174.3168.1162.5-3.9103.2L61 D65L61-R63 VanDerWaalsContact C-N 3.3Å; L61-R63 PolarHBondContact O-N 2.85Å; R63-D65 PolarHBondContact O-N 3.31Å; R63-D65 VanDerWaalsContact O-N 3.16Å
64Q67.1Low71.7Confident159 Ų159126.7 Ų126.774%0.74357%0.573SS**  trans-53.2122.8168.4-74.7-95.46.400105.1R62R62-Q64 PolarHBondContact O-N 3.41Å
65D66.1Low74.3Confident90 Ų90118.3 Ų118.348%0.48154%0.536SS..  trans-54.6141.3175.3-78.1-32.8000108.1R63 Q67 R207R63-D65 PolarHBondContact O-N 3.31Å; R63-D65 VanDerWaalsContact O-N 3.16Å; D65-Q67 WeakPolarHBondContact O-CG 3.3Å; D65-Q67 PolarHBondContact O-N 3.04Å; D65-R207 IonicContact OD2-CZ 3.48Å; D65-R207 IonicContact OD2-NH2 3.91Å
66P69.1Low76.5Confident80 Ų80118.3 Ų118.352%0.51952%0.515SS..  trans-54.7111.4176.3-22.732.3000109.6
67Q86.9Confident78.9Confident109 Ų109111 Ų11151%0.50948%0.477SS..EExtended strand (participates in β ladder)trans-98.3116.5175-64.7-173.11400108.8D65 M205 Y206D65-Q67 WeakPolarHBondContact O-CG 3.3Å; D65-Q67 PolarHBondContact O-N 3.04Å; Q67-M205 HydrophobicContact CB-CB 4.44Å; Q67-M205 HydrophobicContact CB-CE 3.45Å; Q67-M205 VanDerWaalsContact CB-CE 3.45Å; Q67-Y206 CarbonylContact C-O 3.49Å; Q67-Y206 WeakPolarHBondContact CA-O 3.46Å
68L94.2Very high81.1Confident35 Ų35105.1 Ų105.118%0.18346%0.455CS..EExtended strand (participates in β ladder)trans-80.5131.7173.9-58.8174.4000109G70 I107 P108 M205 Y206 E208L68-G70 PolarHBondContact O-N 3.21Å; L68-I107 HydrophobicContact CB-CG2 4.39Å; L68-I107 HydrophobicContact CD1-CG2 3.83Å; L68-P108 HydrophobicContact CB-CG 4.34Å; L68-P108 WeakPolarHBondContact CD1-O 3.43Å; L68-M205 WeakPolarHBondContact O-CA 3.36Å; L68-Y206 PolarHBondContact N-O 2.97Å; L68-Y206 PolarHBondContact O-N 2.89Å; L68-E208 HydrophobicContact CD1-CB 4.02Å; L68-E208 HydrophobicContact CD1-CG 4.17Å; L68-E208 HydrophobicContact CG-CB 4.34Å
69K96.6Very high83.3Confident146 Ų14698.3 Ų98.364%0.63543%0.426SS*.EExtended strand (participates in β ladder)trans-89.599.3175.9-173.5-179.7-176.7-179.70109.6P108 V203 M205K69-P108 WeakPolarHBondContact O-CG 3.38Å; K69-V203 HydrophobicContact CD-CG1 4.23Å; K69-V203 HydrophobicContact CG-CG1 3.78Å; K69-M205 HydrophobicContact CB-CE 4.33Å; K69-M205 HydrophobicContact CB-SD 3.96Å; K69-M205 HydrophobicContact CG-SD 4.01Å
70G97.3Very high85.5Confident5 Ų588 Ų885%0.05239%0.394CS..EExtended strand (participates in β ladder)trans-107.9-165.1176.800000112.3L68 L106 A204L68-G70 PolarHBondContact O-N 3.21Å; G70-L106 VanDerWaalsContact CA-O 3.29Å; G70-L106 WeakPolarHBondContact CA-O 3.43Å; G70-A204 PolarHBondContact N-O 2.6Å; G70-A204 PolarHBondContact O-N 3.18Å
71I98.1Very high87.6Confident45 Ų4578.6 Ų78.623%0.23136%0.358CS..EExtended strand (participates in β ladder)trans-136.3149.2176.660.8174.5000111.3T73 L106 P200 E202 V203 Y206I71-T73 HydrophobicContact CD1-CG2 4.19Å; I71-T73 HydrophobicContact CG1-CG2 4.29Å; I71-L106 HydrophobicContact CD1-CB 4.44Å; I71-L106 HydrophobicContact CG1-CB 3.76Å; I71-L106 PolarHBondContact N-O 2.96Å; I71-L106 PolarHBondContact O-N 2.98Å; I71-P200 HydrophobicContact CD1-CB 4.2Å; I71-P200 HydrophobicContact CD1-CG 4.1Å; I71-E202 CarbonylContact C-O 3.55Å; I71-E202 VanDerWaalsContact CA-O 3.31Å; I71-E202 WeakPolarHBondContact CA-O 3.34Å; I71-E202 WeakPolarHBondContact CB-O 3.48Å; I71-V203 HydrophobicContact CG2-CG2 4.27Å; I71-Y206 PolarHBondContact O-OH 3.1Å
72V98.4Very high89.4Confident13 Ų1371.7 Ų71.78%0.07932%0.321CS..EExtended strand (participates in β ladder)trans-88.7126.3159.8-178.50000107.3L103 F104 V119 L201 E202 A204 Y206V72-L103 HydrophobicContact CG1-CD2 4.46Å; V72-F104 WeakPolarHBondContact CA-O 3.39Å; V72-V119 HydrophobicContact CG1-CG2 4.12Å; V72-L201 PolarHBondContact O-N 2.95Å; V72-E202 HydrophobicContact CB-CG 3.89Å; V72-E202 HydrophobicContact CG2-CG 3.99Å; V72-E202 PolarHBondContact N-O 3.3Å; V72-E202 PolarHBondContact O-N 3Å; V72-A204 HydrophobicContact CG2-CB 4.34Å; V72-Y206 WeakPolarHBondContact CG2-OH 3.39Å
73T98.5Very high91.4Very high0 Ų060.4 Ų60.40%028%0.279CS..EExtended strand (participates in β ladder)trans-147.4157.5-173.8-172.30000111.5I71 L75 F104 L106 K199I71-T73 HydrophobicContact CD1-CG2 4.19Å; I71-T73 HydrophobicContact CG1-CG2 4.29Å; T73-L75 HydrophobicContact CG2-CD2 4.18Å; T73-F104 PolarHBondContact N-O 3.39Å; T73-F104 PolarHBondContact O-N 2.93Å; T73-L106 HydrophobicContact CG2-CB 4.17Å; T73-L106 HydrophobicContact CG2-CD1 3.75Å; T73-L106 HydrophobicContact CG2-CD2 4.16Å; T73-L106 HydrophobicContact CG2-CG 4.24Å; T73-K199 WeakPolarHBondContact CA-O 3.44Å; T73-K199 PolarHBondContact OG1-N 3.32Å; T73-K199 PolarHBondContact OG1-O 3.38Å
74R98.6Very high93.2Very high46 Ų4650.3 Ų50.317%0.17424%0.242CC..EExtended strand (participates in β ladder)trans-93.1152156.8-62-175176.487.1-1.8109.8Y82 D97 T102 L103 P198 K199 L201R74-Y82 HydrophobicContact CB-CD1 3.88Å; R74-Y82 HydrophobicContact CB-CE1 4.09Å; R74-D97 PolarHBondContact NE-O 3.18Å; R74-D97 PolarHBondContact NH2-O 3.41Å; R74-T102 PolarHBondContact NE-OG1 2.88Å; R74-T102 VanDerWaalsContact NE-OG1 3.12Å; R74-L103 HydrophobicContact CG-CD2 3.95Å; R74-P198 WeakPolarHBondContact O-CA 3.48Å; R74-K199 HydrophobicContact CB-CB 4.41Å; R74-K199 PolarHBondContact N-O 3.38Å; R74-K199 PolarHBondContact O-N 3.11Å; R74-L201 HydrophobicContact CG-CD1 4.23Å
75L98.6Very high94.7Very high0 Ų042.8 Ų42.80%021%0.206CC..EExtended strand (participates in β ladder)trans-114.4102.8174.4-64.4178.2000109.2T73 L83 L106 I116 Y157 F196 P198T73-L75 HydrophobicContact CG2-CD2 4.18Å; L75-L83 HydrophobicContact CB-CB 4.16Å; L75-L83 HydrophobicContact CD1-CD2 3.98Å; L75-L83 PolarHBondContact O-N 2.82Å; L75-L106 HydrophobicContact CD1-CD1 4.18Å; L75-L106 HydrophobicContact CD2-CD1 4.29Å; L75-L106 HydrophobicContact CD2-CD2 4.45Å; L75-L106 HydrophobicContact CG-CD1 4.49Å; L75-I116 HydrophobicContact CD1-CD1 4.32Å; L75-I116 HydrophobicContact CD1-CG2 4.22Å; L75-Y157 HydrophobicContact CD1-CE2 4.3Å; L75-Y157 HydrophobicContact CD2-CE2 4.15Å; L75-F196 HydrophobicContact CB-CD1 4.05Å; L75-P198 HydrophobicContact CD2-CB 4.17Å; L75-P198 HydrophobicContact CD2-CG 4.15Å
76Y98.7Very high96.1Very high68 Ų6839.9 Ų39.927%0.26719%0.191SC..EExtended strand (participates in β ladder)trans-90.2113-179.9-175.7-104.7000110.7G80 Y82 F196 L197Y76-G80 WeakPolarHBondContact OH-CA 3.26Å; Y76-Y82 AromaticContact CD2-CD1 3.83Å; Y76-Y82 HydrophobicContact CD2-CD1 3.83Å; Y76-Y82 HydrophobicContact CD2-CD2 4.02Å; Y76-Y82 AromaticContact CD2-CE1 3.79Å; Y76-Y82 HydrophobicContact CD2-CE1 3.79Å; Y76-Y82 AromaticContact CD2-CE2 3.97Å; Y76-Y82 HydrophobicContact CD2-CE2 3.97Å; Y76-Y82 AromaticContact CD2-CG 3.98Å; Y76-Y82 HydrophobicContact CD2-CG 3.98Å; Y76-Y82 AromaticContact CD2-CZ 3.9Å; Y76-Y82 HydrophobicContact CE2-CD2 4.41Å; Y76-Y82 HydrophobicContact CE2-CE2 4.26Å; Y76-Y82 HydrophobicContact CG-CD1 4.41Å; Y76-Y82 HydrophobicContact CG-CE1 4.27Å; Y76-F196 CarbonylContact O-C 3.56Å; Y76-F196 WeakPolarHBondContact O-CA 3.48Å; Y76-L197 PolarHBondContact N-O 3.47Å; Y76-L197 PolarHBondContact O-N 3.33Å
77C98.8Very high97.4Very high0 Ų040.6 Ų40.60%020%0.195CC..EExtended strand (participates in β ladder)trans-73.6138.6175.5-171.50000110.5Q79 G80 Y81 L175 H195 F196C77-Q79 PolarHBondContact O-N 3.09Å; C77-G80 PolarHBondContact O-N 3.3Å; C77-Y81 WeakPolarHBondContact CB-O 3.38Å; C77-Y81 PolarHBondContact N-O 3.07Å; C77-L175 HydrophobicContact CB-CD1 3.96Å; C77-L175 HydrophobicContact CB-CG 4.43Å; C77-H195 CarbonylContact C-O 3.54Å; C77-H195 WeakPolarHBondContact CA-O 3.32Å; C77-F196 HydrophobicContact CB-CD1 3.9Å; C77-F196 HydrophobicContact CB-CE1 3.63Å; C77-F196 HydrophobicContact CB-CZ 4.25Å
78R98.6Very high97.7Very high109 Ų10941.4 Ų41.441%0.41120%0.203SC..THydrogen-bonded Turntrans-54.1-22.5174.8-176-178.7179.7-177.65.1113.1G80 Y154 P192 H195R78-G80 PolarHBondContact O-N 3.37Å; R78-Y154 HydrophobicContact CB-CE1 4.02Å; R78-Y154 VanDerWaalsContact CD-CZ 3.45Å; R78-Y154 WeakPolarHBondContact CD-OH 3.3Å; R78-Y154 HydrophobicContact CG-CE1 4.05Å; R78-Y154 PolarHBondContact NE-OH 2.87Å; R78-P192 HydrophobicContact CB-CB 4.42Å; R78-P192 HydrophobicContact CG-CB 4.17Å; R78-H195 HydrophobicContact CB-CB 3.79Å; R78-H195 PolarHBondContact N-O 3.34Å; R78-H195 PolarHBondContact NH1-ND1 2.87Å
79Q98.4Very high97.8Very high47 Ų4740.2 Ų40.222%0.2220%0.199CC..THydrogen-bonded Turntrans-67.4-8.6175.9-64.7-7296.800114.1C77 Y81 N176 K177C77-Q79 PolarHBondContact O-N 3.09Å; Q79-Y81 HydrophobicContact CB-CD2 4.37Å; Q79-Y81 WeakPolarHBondContact O-CD2 3.34Å; Q79-N176 WeakPolarHBondContact CB-O 3.48Å; Q79-N176 WeakPolarHBondContact CG-O 3.37Å; Q79-N176 PolarHBondContact NE2-O 2.78Å; Q79-N176 VanDerWaalsContact NE2-O 3.08Å; Q79-K177 VanDerWaalsContact NE2-N 3.14Å
80G98.4Very high97.8Very high22 Ų2235.5 Ų35.523%0.22719%0.185CC..THydrogen-bonded Turntrans107.914.1173.800000115.1Y76 C77 R78Y76-G80 WeakPolarHBondContact OH-CA 3.26Å; C77-G80 PolarHBondContact O-N 3.3Å; R78-G80 PolarHBondContact O-N 3.37Å
81Y98.7Very high97.8Very high41 Ų4136.4 Ų36.416%0.16119%0.188CC..EExtended strand (participates in β ladder)trans-132.4141.3-171.2-61.5-93.7000111.3C77 Q79 G93 T94 K95 K177C77-Y81 WeakPolarHBondContact CB-O 3.38Å; C77-Y81 PolarHBondContact N-O 3.07Å; Q79-Y81 HydrophobicContact CB-CD2 4.37Å; Q79-Y81 WeakPolarHBondContact O-CD2 3.34Å; Y81-G93 WeakPolarHBondContact CD1-O 3.43Å; Y81-T94 CarbonylContact C-O 3.57Å; Y81-T94 WeakPolarHBondContact CA-O 3.46Å; Y81-K95 HydrophobicContact CD1-CG 4.07Å; Y81-K95 HydrophobicContact CE1-CG 4.08Å; Y81-K177 WeakPolarHBondContact CE2-O 3.42Å
82Y98.7Very high97.8Very high16 Ų1636.8 Ų36.86%0.06319%0.191CC..EExtended strand (participates in β ladder)trans-74132.9160.7-66.6-80.3000109.2R74 Y76 Q84 G93 T94 D97 K199R74-Y82 HydrophobicContact CB-CD1 3.88Å; R74-Y82 HydrophobicContact CB-CE1 4.09Å; Y76-Y82 AromaticContact CD2-CD1 3.83Å; Y76-Y82 HydrophobicContact CD2-CD1 3.83Å; Y76-Y82 HydrophobicContact CD2-CD2 4.02Å; Y76-Y82 AromaticContact CD2-CE1 3.79Å; Y76-Y82 HydrophobicContact CD2-CE1 3.79Å; Y76-Y82 AromaticContact CD2-CE2 3.97Å; Y76-Y82 HydrophobicContact CD2-CE2 3.97Å; Y76-Y82 AromaticContact CD2-CG 3.98Å; Y76-Y82 HydrophobicContact CD2-CG 3.98Å; Y76-Y82 AromaticContact CD2-CZ 3.9Å; Y76-Y82 HydrophobicContact CE2-CD2 4.41Å; Y76-Y82 HydrophobicContact CE2-CE2 4.26Å; Y76-Y82 HydrophobicContact CG-CD1 4.41Å; Y76-Y82 HydrophobicContact CG-CE1 4.27Å; Y82-Q84 PolarHBondContact O-N 2.85Å; Y82-G93 CarbonylContact O-C 3.6Å; Y82-G93 VanDerWaalsContact O-CA 3.25Å; Y82-G93 WeakPolarHBondContact O-CA 3.35Å; Y82-T94 PolarHBondContact N-O 2.9Å; Y82-T94 PolarHBondContact O-N 3.27Å; Y82-D97 HydrophobicContact CD2-CB 3.87Å; Y82-D97 HydrophobicContact CE1-CB 4.26Å; Y82-D97 HydrophobicContact CE2-CB 3.46Å; Y82-D97 VanDerWaalsContact CE2-CB 3.46Å; Y82-D97 WeakPolarHBondContact CE2-OD2 3.49Å; Y82-D97 HydrophobicContact CG-CB 4.4Å; Y82-D97 PolarHBondContact OH-OD2 3.14Å; Y82-K199 HydrophobicContact CE1-CD 3.97Å; Y82-K199 PolarHBondContact OH-NZ 3.32Å
83L98.7Very high97.8Very high1 Ų136.9 Ų36.91%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-57.6137.5167.1-174.867.1000108.8L75 T102 F104 I125 L173 L175 F196L75-L83 HydrophobicContact CB-CB 4.16Å; L75-L83 HydrophobicContact CD1-CD2 3.98Å; L75-L83 PolarHBondContact O-N 2.82Å; L83-T102 WeakPolarHBondContact O-CA 3.33Å; L83-F104 HydrophobicContact CB-CE2 4.1Å; L83-F104 HydrophobicContact CB-CZ 4.47Å; L83-F104 HydrophobicContact CD2-CE2 4.08Å; L83-F104 HydrophobicContact CD2-CZ 3.97Å; L83-F104 HydrophobicContact CG-CE2 4.01Å; L83-F104 HydrophobicContact CG-CZ 3.89Å; L83-F104 WeakPolarHBondContact O-CE2 3.41Å; L83-I125 HydrophobicContact CD2-CD1 3.74Å; L83-L173 HydrophobicContact CD2-CD2 4.22Å; L83-L175 HydrophobicContact CD1-CD1 4.47Å; L83-L175 HydrophobicContact CD1-CD2 4.05Å; L83-F196 HydrophobicContact CB-CE1 4.46Å
84Q98.3Very high97.8Very high25 Ų2538.2 Ų38.212%0.11720%0.203CC..EExtended strand (participates in β ladder)trans-131.2144.8178.9175.4167.1-6.100110.2Y82 N86 L91 D92 T94 S101 T102Y82-Q84 PolarHBondContact O-N 2.85Å; Q84-N86 PolarHBondContact NE2-OD1 2.88Å; Q84-L91 WeakPolarHBondContact O-CD2 3.15Å; Q84-D92 PolarHBondContact N-O 2.93Å; Q84-D92 PolarHBondContact O-N 2.83Å; Q84-T94 HydrophobicContact CB-CG2 4.01Å; Q84-S101 WeakPolarHBondContact CA-O 3.33Å; Q84-S101 VanDerWaalsContact CD-OG 3.29Å; Q84-S101 PolarHBondContact NE2-OG 3.06Å; Q84-T102 HydrophobicContact CB-CG2 4.36Å
85M98.3Very high97.7Very high0 Ų043.3 Ų43.30%023%0.226CC..EExtended strand (participates in β ladder)trans-116.4117.5163-172.7-176.7-64.800109.8S90 L91 S101 F104 S118 T121 L123 I125 T135M85-S90 WeakPolarHBondContact CA-O 3.26Å; M85-L91 HydrophobicContact CB-CD2 3.87Å; M85-L91 HydrophobicContact CE-CD2 3.88Å; M85-L91 HydrophobicContact CG-CD2 4.03Å; M85-S101 PolarHBondContact N-O 2.9Å; M85-S101 WeakPolarHBondContact O-CB 3.42Å; M85-F104 HydrophobicContact CB-CE1 4.16Å; M85-F104 HydrophobicContact CB-CZ 4.24Å; M85-F104 HydrophobicContact CE-CE1 4.38Å; M85-S118 WeakPolarHBondContact SD-CB 3.26Å; M85-T121 PolarHBondContact SD-OG1 3.49Å; M85-L123 HydrophobicContact CE-CB 4.23Å; M85-L123 HydrophobicContact SD-CB 3.78Å; M85-L123 HydrophobicContact SD-CD1 4.22Å; M85-L123 HydrophobicContact SD-CG 4.48Å; M85-I125 HydrophobicContact CE-CG1 3.81Å; M85-T135 HydrophobicContact CE-CG2 3.52Å; M85-T135 HydrophobicContact CG-CG2 4.38Å; M85-T135 HydrophobicContact SD-CG2 3.91Å
86N96.6Very high97.5Very high29 Ų2946.6 Ų46.616%0.15524%0.244CC..  trans-76.1160.7178.3-66.7-44.7000111.3Q84 D88 G89 S90 D92Q84-N86 PolarHBondContact NE2-OD1 2.88Å; N86-D88 WeakPolarHBondContact CB-OD1 3.42Å; N86-D88 PolarHBondContact O-N 3.39Å; N86-G89 PolarHBondContact O-N 2.95Å; N86-S90 VanDerWaalsContact CB-OG 3.29Å; N86-S90 WeakPolarHBondContact CB-OG 3.33Å; N86-S90 PolarHBondContact N-O 2.81Å; N86-S90 PolarHBondContact ND2-OG 3Å; N86-D92 PolarHBondContact ND2-OD1 3.12Å; N86-D92 PolarHBondContact ND2-OD2 2.92Å
87P95.3Very high97Very high95 Ų9546.7 Ų46.762%0.61725%0.249SC*.THydrogen-bonded Turntrans-59.2-25179.4-25.135.6000114.6G89P87-G89 PolarHBondContact O-N 3.16Å
88D95.1Very high96.5Very high126 Ų12651 Ų5167%0.67428%0.279SS*.THydrogen-bonded Turntrans-80.5-0.2175.468-15.4000113.4N86 S90N86-D88 WeakPolarHBondContact CB-OD1 3.42Å; N86-D88 PolarHBondContact O-N 3.39Å; D88-S90 VanDerWaalsContact C-N 3.33Å; D88-S90 WeakPolarHBondContact OD1-CB 3.31Å; D88-S90 PolarHBondContact OD1-N 2.85Å; D88-S90 PolarHBondContact OD1-OG 3.12Å; D88-S90 PolarHBondContact OD2-OG 3.19Å
89G94.7Very high95.9Very high10 Ų1047.2 Ų47.210%0.10327%0.269CS..SBendtrans84.6-1.1-176.500000114.2N86 P87 T135N86-G89 PolarHBondContact O-N 2.95Å; P87-G89 PolarHBondContact O-N 3.16Å; G89-T135 WeakPolarHBondContact O-CG2 3.25Å
90S96.7Very high95.7Very high47 Ų4749.6 Ų49.633%0.32928%0.284SS..  trans-67.2143.5176.364.60000111.6M85 N86 D88M85-S90 WeakPolarHBondContact CA-O 3.26Å; N86-S90 VanDerWaalsContact CB-OG 3.29Å; N86-S90 WeakPolarHBondContact CB-OG 3.33Å; N86-S90 PolarHBondContact N-O 2.81Å; N86-S90 PolarHBondContact ND2-OG 3Å; D88-S90 VanDerWaalsContact C-N 3.33Å; D88-S90 WeakPolarHBondContact OD1-CB 3.31Å; D88-S90 PolarHBondContact OD1-N 2.85Å; D88-S90 PolarHBondContact OD1-OG 3.12Å; D88-S90 PolarHBondContact OD2-OG 3.19Å
91L97.9Very high95.6Very high24 Ų2448.8 Ų48.813%0.12627%0.274CS..EExtended strand (participates in β ladder)trans-113.3123.2-179.2-72.6173000110.3Q84 M85 I125 L133 T135 A181Q84-L91 WeakPolarHBondContact O-CD2 3.15Å; M85-L91 HydrophobicContact CB-CD2 3.87Å; M85-L91 HydrophobicContact CE-CD2 3.88Å; M85-L91 HydrophobicContact CG-CD2 4.03Å; L91-I125 HydrophobicContact CD1-CB 4.49Å; L91-I125 HydrophobicContact CD1-CD1 4.29Å; L91-I125 HydrophobicContact CD1-CG1 4.07Å; L91-I125 HydrophobicContact CD1-CG2 3.91Å; L91-I125 HydrophobicContact CD2-CD1 3.91Å; L91-I125 HydrophobicContact CD2-CG1 4.08Å; L91-L133 HydrophobicContact CD1-CB 4.35Å; L91-T135 HydrophobicContact CD1-CG2 4.19Å; L91-T135 HydrophobicContact CG-CG2 4.13Å; L91-A181 HydrophobicContact CB-CB 4.33Å; L91-A181 VanDerWaalsContact O-CB 3.25Å; L91-A181 WeakPolarHBondContact O-CB 3.25Å
92D97.9Very high95.6Very high54 Ų5446.8 Ų46.829%0.28927%0.266SS..EExtended strand (participates in β ladder)trans-153.3-161.8178.664-2000110.7Q84 N86 G179Q84-D92 PolarHBondContact N-O 2.93Å; Q84-D92 PolarHBondContact O-N 2.83Å; N86-D92 PolarHBondContact ND2-OD1 3.12Å; N86-D92 PolarHBondContact ND2-OD2 2.92Å; D92-G179 CarbonylContact C-O 3.47Å
93G98.3Very high95.6Very high14 Ų1446.9 Ų46.914%0.14427%0.268CS..EExtended strand (participates in β ladder)trans-130.3133-174.500000110.3Y81 Y82 G179Y81-G93 WeakPolarHBondContact CD1-O 3.43Å; Y82-G93 CarbonylContact O-C 3.6Å; Y82-G93 VanDerWaalsContact O-CA 3.25Å; Y82-G93 WeakPolarHBondContact O-CA 3.35Å; G93-G179 VanDerWaalsContact CA-O 3.27Å; G93-G179 WeakPolarHBondContact CA-O 3.31Å; G93-G179 PolarHBondContact N-O 2.69Å
94T98.1Very high95.6Very high29 Ų2946.8 Ų46.818%0.17827%0.267CS..EExtended strand (participates in β ladder)trans-122.6156.8177.1-174.10000111.7Y81 Y82 Q84 D96 T102Y81-T94 CarbonylContact C-O 3.57Å; Y81-T94 WeakPolarHBondContact CA-O 3.46Å; Y82-T94 PolarHBondContact N-O 2.9Å; Y82-T94 PolarHBondContact O-N 3.27Å; Q84-T94 HydrophobicContact CB-CG2 4.01Å; T94-D96 WeakPolarHBondContact CG2-O 3.34Å; T94-D96 PolarHBondContact OG1-N 3Å; T94-D96 VanDerWaalsContact OG1-N 3.11Å; T94-T102 HydrophobicContact CG2-CG2 3.46Å; T94-T102 VanDerWaalsContact CG2-CG2 3.46Å
95K97Very high95.6Very high152 Ų15246.6 Ų46.666%0.66127%0.267SS*.SBendtrans-89.9-13.8169.5-66.2-177.6179.5177.70112.4Y81Y81-K95 HydrophobicContact CD1-CG 4.07Å; Y81-K95 HydrophobicContact CE1-CG 4.08Å
96D93.8Very high95.6Very high70 Ų7047.1 Ų47.137%0.37427%0.27SS..  trans-87.2115.3-179.9174.132.4000111.1T94 S98 T102T94-D96 WeakPolarHBondContact CG2-O 3.34Å; T94-D96 PolarHBondContact OG1-N 3Å; T94-D96 VanDerWaalsContact OG1-N 3.11Å; D96-S98 VanDerWaalsContact CG-OG 3.26Å; D96-S98 VanDerWaalsContact OD1-CB 3.25Å; D96-S98 WeakPolarHBondContact OD1-CB 3.32Å; D96-S98 PolarHBondContact OD1-N 3.42Å; D96-S98 PolarHBondContact OD1-OG 2.72Å; D96-S98 PolarHBondContact OD2-OG 3.38Å; D96-T102 WeakPolarHBondContact O-CG2 3.43Å
97D88.9Confident95.7Very high69 Ų6946 Ų4637%0.36926%0.264SS..  trans-95.2-1.5173.253.114.6000114.3R74 Y82 S99R74-D97 PolarHBondContact NE-O 3.18Å; R74-D97 PolarHBondContact NH2-O 3.41Å; Y82-D97 HydrophobicContact CD2-CB 3.87Å; Y82-D97 HydrophobicContact CE1-CB 4.26Å; Y82-D97 HydrophobicContact CE2-CB 3.46Å; Y82-D97 VanDerWaalsContact CE2-CB 3.46Å; Y82-D97 WeakPolarHBondContact CE2-OD2 3.49Å; Y82-D97 HydrophobicContact CG-CB 4.4Å; Y82-D97 PolarHBondContact OH-OD2 3.14Å; D97-S99 VanDerWaalsContact C-N 3.25Å; D97-S99 PolarHBondContact O-N 3.36Å
98S87.5Confident95.8Very high92 Ų9243.6 Ų43.664%0.64325%0.248SC*.SBendtrans-71.1-24.7178.772.20000112.5D96D96-S98 VanDerWaalsContact CG-OG 3.26Å; D96-S98 VanDerWaalsContact OD1-CB 3.25Å; D96-S98 WeakPolarHBondContact OD1-CB 3.32Å; D96-S98 PolarHBondContact OD1-N 3.42Å; D96-S98 PolarHBondContact OD1-OG 2.72Å; D96-S98 PolarHBondContact OD2-OG 3.38Å
99S86.7Confident95.9Very high28 Ų2839 Ų3920%0.19622%0.224CC..SBendtrans-80.4140-176.967.90000113.7D97 S101 T102D97-S99 VanDerWaalsContact C-N 3.25Å; D97-S99 PolarHBondContact O-N 3.36Å; S99-S101 WeakPolarHBondContact CB-OG 3.35Å; S99-S101 PolarHBondContact O-N 2.79Å; S99-S101 VanDerWaalsContact O-N 3.16Å; S99-S101 PolarHBondContact OG-OG 3.42Å; S99-T102 PolarHBondContact O-N 3.1Å; S99-T102 PolarHBondContact O-OG1 3.19Å
100N93.6Very high96.1Very high98 Ų9840.4 Ų40.452%0.52424%0.24SC..G310 helixtrans-67.4-10.1174.9-71.5-14.4000113.6T102 L103N100-T102 PolarHBondContact O-N 3.13Å; N100-L103 HydrophobicContact CB-CD1 4.24Å; N100-L103 PolarHBondContact O-N 2.91Å; N100-L103 WeakPolarHBondContact OD1-CD1 3.32Å
101S96.9Very high96.1Very high4 Ų445.9 Ų45.93%0.02826%0.264CS..G310 helixtrans-71.4-12.3175.849.50000112.9Q84 M85 S99Q84-S101 WeakPolarHBondContact CA-O 3.33Å; Q84-S101 VanDerWaalsContact CD-OG 3.29Å; Q84-S101 PolarHBondContact NE2-OG 3.06Å; M85-S101 PolarHBondContact N-O 2.9Å; M85-S101 WeakPolarHBondContact O-CB 3.42Å; S99-S101 WeakPolarHBondContact CB-OG 3.35Å; S99-S101 PolarHBondContact O-N 2.79Å; S99-S101 VanDerWaalsContact O-N 3.16Å; S99-S101 PolarHBondContact OG-OG 3.42Å
102T98.1Very high96.1Very high0 Ų052 Ų520%029%0.286CS..G310 helixtrans-92.7-2.7173.863.50000114.1R74 L83 Q84 T94 D96 S99 N100 F104R74-T102 PolarHBondContact NE-OG1 2.88Å; R74-T102 VanDerWaalsContact NE-OG1 3.12Å; L83-T102 WeakPolarHBondContact O-CA 3.33Å; Q84-T102 HydrophobicContact CB-CG2 4.36Å; T94-T102 HydrophobicContact CG2-CG2 3.46Å; T94-T102 VanDerWaalsContact CG2-CG2 3.46Å; D96-T102 WeakPolarHBondContact O-CG2 3.43Å; S99-T102 PolarHBondContact O-N 3.1Å; S99-T102 PolarHBondContact O-OG1 3.19Å; N100-T102 PolarHBondContact O-N 3.13Å; T102-F104 VanDerWaalsContact O-CD2 3.3Å; T102-F104 WeakPolarHBondContact O-CD2 3.35Å; T102-F104 WeakPolarHBondContact O-CE2 3.37Å
103L98.4Very high96.1Very high17 Ų1750.2 Ų50.29%0.08928%0.277CS..  trans-90.7127.3-177.5-64.8176.1000111.2V72 R74 N100 V119 L201V72-L103 HydrophobicContact CG1-CD2 4.46Å; R74-L103 HydrophobicContact CG-CD2 3.95Å; N100-L103 HydrophobicContact CB-CD1 4.24Å; N100-L103 PolarHBondContact O-N 2.91Å; N100-L103 WeakPolarHBondContact OD1-CD1 3.32Å; L103-V119 HydrophobicContact CB-CB 3.94Å; L103-V119 HydrophobicContact CB-CG2 3.88Å; L103-V119 PolarHBondContact O-N 3.39Å; L103-L201 HydrophobicContact CD2-CD1 4.09Å; L103-L201 HydrophobicContact CD2-CD2 3.62Å
104F98.7Very high96.1Very high0 Ų049.9 Ų49.90%027%0.272CS..EExtended strand (participates in β ladder)trans-127.2141.1178.3-62.2-86.9000111.8V72 T73 L83 M85 T102 L106 I116 Q117 I125V72-F104 WeakPolarHBondContact CA-O 3.39Å; T73-F104 PolarHBondContact N-O 3.39Å; T73-F104 PolarHBondContact O-N 2.93Å; L83-F104 HydrophobicContact CB-CE2 4.1Å; L83-F104 HydrophobicContact CB-CZ 4.47Å; L83-F104 HydrophobicContact CD2-CE2 4.08Å; L83-F104 HydrophobicContact CD2-CZ 3.97Å; L83-F104 HydrophobicContact CG-CE2 4.01Å; L83-F104 HydrophobicContact CG-CZ 3.89Å; L83-F104 WeakPolarHBondContact O-CE2 3.41Å; M85-F104 HydrophobicContact CB-CE1 4.16Å; M85-F104 HydrophobicContact CB-CZ 4.24Å; M85-F104 HydrophobicContact CE-CE1 4.38Å; T102-F104 VanDerWaalsContact O-CD2 3.3Å; T102-F104 WeakPolarHBondContact O-CD2 3.35Å; T102-F104 WeakPolarHBondContact O-CE2 3.37Å; F104-L106 HydrophobicContact CB-CD1 4.48Å; F104-I116 HydrophobicContact CB-CG2 4.03Å; F104-I116 HydrophobicContact CD1-CG2 3.74Å; F104-I116 HydrophobicContact CG-CG2 4.01Å; F104-Q117 CarbonylContact C-O 3.4Å; F104-Q117 WeakPolarHBondContact CA-O 3.46Å; F104-I125 HydrophobicContact CD1-CD1 4.42Å; F104-I125 HydrophobicContact CE1-CD1 3.9Å
105N98.7Very high96.2Very high21 Ų2148.5 Ų48.511%0.11226%0.263CS..EExtended strand (participates in β ladder)trans-79.1118161.4-60.2-43.7000108.3I107 Q117 V119 Y206N105-I107 HydrophobicContact CB-CD1 4.15Å; N105-I107 HydrophobicContact CB-CG1 3.95Å; N105-Q117 HydrophobicContact CB-CB 4.24Å; N105-Q117 PolarHBondContact N-O 3.23Å; N105-Q117 PolarHBondContact ND2-OE1 2.85Å; N105-Q117 PolarHBondContact O-N 3.25Å; N105-V119 WeakPolarHBondContact OD1-CG2 3.43Å; N105-Y206 HydrophobicContact CB-CE1 3.68Å; N105-Y206 WeakPolarHBondContact CB-OH 3.48Å; N105-Y206 VanDerWaalsContact CG-CE1 3.42Å; N105-Y206 VanDerWaalsContact CG-OH 3.31Å; N105-Y206 WeakPolarHBondContact OD1-CE1 3.25Å; N105-Y206 PolarHBondContact OD1-OH 2.85Å
106L98.6Very high96.2Very high11 Ų1141.2 Ų41.26%0.05823%0.232CC..EExtended strand (participates in β ladder)trans-96.299.3168.1-113.469.3000108.6G70 I71 T73 L75 F104 I116 Y157G70-L106 VanDerWaalsContact CA-O 3.29Å; G70-L106 WeakPolarHBondContact CA-O 3.43Å; I71-L106 HydrophobicContact CD1-CB 4.44Å; I71-L106 HydrophobicContact CG1-CB 3.76Å; I71-L106 PolarHBondContact N-O 2.96Å; I71-L106 PolarHBondContact O-N 2.98Å; T73-L106 HydrophobicContact CG2-CB 4.17Å; T73-L106 HydrophobicContact CG2-CD1 3.75Å; T73-L106 HydrophobicContact CG2-CD2 4.16Å; T73-L106 HydrophobicContact CG2-CG 4.24Å; L75-L106 HydrophobicContact CD1-CD1 4.18Å; L75-L106 HydrophobicContact CD2-CD1 4.29Å; L75-L106 HydrophobicContact CD2-CD2 4.45Å; L75-L106 HydrophobicContact CG-CD1 4.49Å; F104-L106 HydrophobicContact CB-CD1 4.48Å; L106-I116 HydrophobicContact CD1-CB 4.45Å; L106-I116 HydrophobicContact CD1-CG1 4.01Å; L106-I116 HydrophobicContact CD1-CG2 4.05Å; L106-Y157 HydrophobicContact CD2-CE1 4.37Å
107I98.5Very high96.5Very high4 Ų439.5 Ų39.52%0.02122%0.221CC..EExtended strand (participates in β ladder)trans-102118.8-171.9-52.2174000108.7L68 N105 V109 V114 A115 Y206 P209L68-I107 HydrophobicContact CB-CG2 4.39Å; L68-I107 HydrophobicContact CD1-CG2 3.83Å; N105-I107 HydrophobicContact CB-CD1 4.15Å; N105-I107 HydrophobicContact CB-CG1 3.95Å; I107-V109 HydrophobicContact CG2-CG1 4.24Å; I107-V109 PolarHBondContact O-N 2.96Å; I107-V114 CarbonylContact O-C 3.51Å; I107-V114 VanDerWaalsContact O-CA 3.25Å; I107-V114 WeakPolarHBondContact O-CA 3.14Å; I107-A115 HydrophobicContact CB-CB 4.38Å; I107-A115 PolarHBondContact N-O 3.2Å; I107-A115 PolarHBondContact O-N 3.09Å; I107-Y206 HydrophobicContact CD1-CD1 3.9Å; I107-Y206 HydrophobicContact CD1-CE1 4.37Å; I107-Y206 HydrophobicContact CD1-CG 4.1Å; I107-Y206 HydrophobicContact CG1-CD1 4Å; I107-Y206 HydrophobicContact CG1-CD2 4.02Å; I107-Y206 HydrophobicContact CG1-CE1 4.26Å; I107-Y206 HydrophobicContact CG1-CE2 4.27Å; I107-Y206 HydrophobicContact CG1-CG 3.87Å; I107-Y206 HydrophobicContact CG2-CD2 4.44Å; I107-Y206 HydrophobicContact CG2-CG 4.29Å; I107-P209 HydrophobicContact CG2-CG 4.47Å
108P98.3Very high96.9Very high46 Ų4636.2 Ų36.230%0.29920%0.204SC..EExtended strand (participates in β ladder)trans-76108.1-179.830.1-33.6000110.5L68 K69L68-P108 HydrophobicContact CB-CG 4.34Å; L68-P108 WeakPolarHBondContact CD1-O 3.43Å; K69-P108 WeakPolarHBondContact O-CG 3.38Å
109V97.7Very high97.4Very high28 Ų2834.8 Ų34.817%0.1719%0.191CC..EExtended strand (participates in β ladder)trans-104.911.9-178.3-62.40000112.5I107 V113 A115 F139 K144 P209I107-V109 HydrophobicContact CG2-CG1 4.24Å; I107-V109 PolarHBondContact O-N 2.96Å; V109-V113 HydrophobicContact CG2-CB 4.36Å; V109-V113 HydrophobicContact CG2-CG1 3.8Å; V109-V113 PolarHBondContact N-O 2.87Å; V109-A115 HydrophobicContact CG1-CB 3.97Å; V109-F139 HydrophobicContact CB-CZ 4.02Å; V109-F139 HydrophobicContact CG1-CE1 4.44Å; V109-F139 HydrophobicContact CG1-CE2 4.32Å; V109-F139 HydrophobicContact CG1-CZ 3.81Å; V109-F139 HydrophobicContact CG2-CZ 4.02Å; V109-K144 HydrophobicContact CG2-CG 4.22Å; V109-P209 HydrophobicContact CG1-CG 4.47Å
110G97Very high97.9Very high41 Ų4138.9 Ų38.942%0.42321%0.205SC..EExtended strand (participates in β ladder)trans170.3176.8177.200000112.1R112 V113G110-R112 PolarHBondContact O-N 3.48Å; G110-V113 PolarHBondContact N-O 2.92Å; G110-V113 PolarHBondContact O-N 2.76Å; G110-V113 VanDerWaalsContact O-N 3.09Å
111L97.1Very high98Very high162 Ų16236.4 Ų36.485%0.84819%0.194SC*.THydrogen-bonded Turntrans-62.6109.2176.8178.164.2000110.1V113L111-V113 PolarHBondContact O-N 2.77Å
112R97.6Very high98.1Very high152 Ų15237.7 Ų37.757%0.57421%0.208SC*.THydrogen-bonded Turntrans58.628.9-175.4-57.2-64.8-169.3169.51.3113G110 K146 E147G110-R112 PolarHBondContact O-N 3.48Å; R112-K146 CarbonylContact O-C 3.58Å; R112-K146 WeakPolarHBondContact O-CA 2.99Å; R112-E147 HydrophobicContact CB-CG 4.15Å; R112-E147 WeakPolarHBondContact CD-OE1 3.31Å; R112-E147 IonicContact NH1-OE1 3.41Å; R112-E147 PolarHBondContact NH1-OE1 3.35Å; R112-E147 VanDerWaalsContact O-CG 3.32Å; R112-E147 WeakPolarHBondContact O-CG 3.38Å; R112-E147 PolarHBondContact O-N 3.47Å
113V98.7Very high98.1Very high16 Ų1639 Ų3910%0.09722%0.215CC..EExtended strand (participates in β ladder)trans-123.5128.3175.5-173.50000108.6V109 G110 L111 K144 F145 M160V109-V113 HydrophobicContact CG2-CB 4.36Å; V109-V113 HydrophobicContact CG2-CG1 3.8Å; V109-V113 PolarHBondContact N-O 2.87Å; G110-V113 PolarHBondContact N-O 2.92Å; G110-V113 PolarHBondContact O-N 2.76Å; G110-V113 VanDerWaalsContact O-N 3.09Å; L111-V113 PolarHBondContact O-N 2.77Å; V113-K144 HydrophobicContact CG1-CB 3.85Å; V113-K144 HydrophobicContact CG1-CG 4.4Å; V113-F145 CarbonylContact C-O 3.57Å; V113-F145 WeakPolarHBondContact CA-O 3.33Å; V113-M160 HydrophobicContact CG1-CG 3.91Å; V113-M160 HydrophobicContact CG1-SD 4.46Å; V113-M160 HydrophobicContact CG2-CE 4.31Å; V113-M160 HydrophobicContact CG2-CG 4.32Å; V113-M160 HydrophobicContact CG2-SD 3.78Å
114V98.8Very high98.1Very high7 Ų739.3 Ų39.34%0.04222%0.215CC..EExtended strand (participates in β ladder)trans-122.6147.5-179.2-630000110.7I107 I116 F145 E147 Y157I107-V114 CarbonylContact O-C 3.51Å; I107-V114 VanDerWaalsContact O-CA 3.25Å; I107-V114 WeakPolarHBondContact O-CA 3.14Å; V114-I116 HydrophobicContact CG2-CG1 4.2Å; V114-F145 HydrophobicContact CG2-CB 4.38Å; V114-F145 PolarHBondContact N-O 2.89Å; V114-F145 PolarHBondContact O-N 3.43Å; V114-E147 HydrophobicContact CG1-CG 4.31Å; V114-Y157 HydrophobicContact CG2-CD1 3.88Å; V114-Y157 HydrophobicContact CG2-CE1 3.85Å
115A98.8Very high98.1Very high0 Ų039.3 Ų39.30%022%0.215CC..EExtended strand (participates in β ladder)trans-93.3141.715600000108.1I107 V109 Y124 F139I107-A115 HydrophobicContact CB-CB 4.38Å; I107-A115 PolarHBondContact N-O 3.2Å; I107-A115 PolarHBondContact O-N 3.09Å; V109-A115 HydrophobicContact CG1-CB 3.97Å; A115-Y124 HydrophobicContact CB-CD1 4.07Å; A115-Y124 HydrophobicContact CB-CE1 4.09Å; A115-F139 HydrophobicContact CB-CD2 4.13Å; A115-F139 HydrophobicContact CB-CE2 3.6Å; A115-F139 HydrophobicContact CB-CZ 4.45Å
116I98.8Very high98.1Very high0 Ų038.3 Ų38.30%021%0.209CC..EExtended strand (participates in β ladder)trans-115.6110.2178-53.4174.9000106.7L75 F104 L106 V114 Y124 I125 F145 Y157 L173L75-I116 HydrophobicContact CD1-CD1 4.32Å; L75-I116 HydrophobicContact CD1-CG2 4.22Å; F104-I116 HydrophobicContact CB-CG2 4.03Å; F104-I116 HydrophobicContact CD1-CG2 3.74Å; F104-I116 HydrophobicContact CG-CG2 4.01Å; L106-I116 HydrophobicContact CD1-CB 4.45Å; L106-I116 HydrophobicContact CD1-CG1 4.01Å; L106-I116 HydrophobicContact CD1-CG2 4.05Å; V114-I116 HydrophobicContact CG2-CG1 4.2Å; I116-Y124 WeakPolarHBondContact O-CA 3.1Å; I116-I125 HydrophobicContact CB-CB 4.45Å; I116-I125 HydrophobicContact CB-CD1 4.42Å; I116-I125 HydrophobicContact CG2-CD1 3.85Å; I116-I125 HydrophobicContact CG2-CG1 4.35Å; I116-I125 PolarHBondContact O-N 3.02Å; I116-F145 HydrophobicContact CD1-CD2 4.25Å; I116-F145 HydrophobicContact CG1-CD2 4.46Å; I116-Y157 HydrophobicContact CD1-CD1 4.17Å; I116-Y157 HydrophobicContact CD1-CD2 4.5Å; I116-Y157 HydrophobicContact CD1-CG 4.17Å; I116-L173 HydrophobicContact CD1-CD2 4.08Å
117Q98.7Very high98.1Very high33 Ų3337.8 Ų37.815%0.15421%0.207CC..EExtended strand (participates in β ladder)trans-118.9134.3-176.6-171.9-167.939.200109.9F104 N105 V119 G122 L123 Y124F104-Q117 CarbonylContact C-O 3.4Å; F104-Q117 WeakPolarHBondContact CA-O 3.46Å; N105-Q117 HydrophobicContact CB-CB 4.24Å; N105-Q117 PolarHBondContact N-O 3.23Å; N105-Q117 PolarHBondContact ND2-OE1 2.85Å; N105-Q117 PolarHBondContact O-N 3.25Å; Q117-V119 PolarHBondContact O-N 3.33Å; Q117-G122 VanDerWaalsContact CG-O 3.32Å; Q117-G122 WeakPolarHBondContact CG-O 3.25Å; Q117-G122 PolarHBondContact NE2-O 2.93Å; Q117-L123 CarbonylContact C-O 3.52Å; Q117-L123 WeakPolarHBondContact CA-O 3.37Å; Q117-L123 WeakPolarHBondContact CG-O 3.5Å; Q117-Y124 HydrophobicContact CB-CD1 3.75Å; Q117-Y124 HydrophobicContact CB-CE1 3.78Å; Q117-Y124 HydrophobicContact CB-CG 4.5Å; Q117-Y124 HydrophobicContact CG-CD1 4.05Å; Q117-Y124 HydrophobicContact CG-CE1 3.97Å; Q117-Y124 HydrophobicContact CG-CG 4.43Å
118S98.4Very high98.1Very high0 Ų039.5 Ų39.50%022%0.216CC..EExtended strand (participates in β ladder)trans-65.5130.2172.5168.10000110.3M85 K120 T121 G122 L123M85-S118 WeakPolarHBondContact SD-CB 3.26Å; S118-K120 VanDerWaalsContact C-N 3.28Å; S118-K120 PolarHBondContact OG-N 3.08Å; S118-T121 WeakPolarHBondContact CB-OG1 3.36Å; S118-T121 PolarHBondContact OG-N 3.12Å; S118-T121 PolarHBondContact OG-OG1 2.96Å; S118-G122 VanDerWaalsContact O-CA 3.31Å; S118-G122 WeakPolarHBondContact O-CA 3.4Å; S118-G122 PolarHBondContact O-N 2.97Å; S118-L123 PolarHBondContact N-O 3.49Å
119V97.6Very high98.1Very high63 Ų6339.2 Ų39.238%0.38222%0.221SC..THydrogen-bonded Turntrans-65.6-37.3174.41750000110.4V72 L103 N105 Q117V72-V119 HydrophobicContact CG1-CG2 4.12Å; L103-V119 HydrophobicContact CB-CB 3.94Å; L103-V119 HydrophobicContact CB-CG2 3.88Å; L103-V119 PolarHBondContact O-N 3.39Å; N105-V119 WeakPolarHBondContact OD1-CG2 3.43Å; Q117-V119 PolarHBondContact O-N 3.33Å
120K96.4Very high98.1Very high114 Ų11443.5 Ų43.550%0.49624%0.24SC..THydrogen-bonded Turntrans-74.5-42.8-173.8-175.6177179179.40113S118S118-K120 VanDerWaalsContact C-N 3.28Å; S118-K120 PolarHBondContact OG-N 3.08Å
121T97.4Very high98.2Very high45 Ų4541.6 Ų41.628%0.27622%0.22SC..THydrogen-bonded Turntrans-105.6-16.6-172.9590000113.2M85 S118 L123M85-T121 PolarHBondContact SD-OG1 3.49Å; S118-T121 WeakPolarHBondContact CB-OG1 3.36Å; S118-T121 PolarHBondContact OG-N 3.12Å; S118-T121 PolarHBondContact OG-OG1 2.96Å; T121-L123 PolarHBondContact O-N 2.91Å; T121-L123 PolarHBondContact OG1-N 3.46Å
122G97.7Very high98.2Very high31 Ų3137.5 Ų37.532%0.3220%0.196SC..  trans72.90.4-17400000114.5Q117 S118Q117-G122 VanDerWaalsContact CG-O 3.32Å; Q117-G122 WeakPolarHBondContact CG-O 3.25Å; Q117-G122 PolarHBondContact NE2-O 2.93Å; S118-G122 VanDerWaalsContact O-CA 3.31Å; S118-G122 WeakPolarHBondContact O-CA 3.4Å; S118-G122 PolarHBondContact O-N 2.97Å
123L98.6Very high98.3Very high29 Ų2931.7 Ų31.715%0.15218%0.176CC..PPolyproline II helixtrans-78.2142179-58.1175000111.2M85 Q117 S118 T121 E137M85-L123 HydrophobicContact CE-CB 4.23Å; M85-L123 HydrophobicContact SD-CB 3.78Å; M85-L123 HydrophobicContact SD-CD1 4.22Å; M85-L123 HydrophobicContact SD-CG 4.48Å; Q117-L123 CarbonylContact C-O 3.52Å; Q117-L123 WeakPolarHBondContact CA-O 3.37Å; Q117-L123 WeakPolarHBondContact CG-O 3.5Å; S118-L123 PolarHBondContact N-O 3.49Å; T121-L123 PolarHBondContact O-N 2.91Å; T121-L123 PolarHBondContact OG1-N 3.46Å; L123-E137 HydrophobicContact CD2-CB 4.22Å; L123-E137 HydrophobicContact CD2-CG 3.39Å
124Y98.8Very high98.3Very high22 Ų2233.7 Ų33.79%0.08618%0.183CC..EExtended strand (participates in β ladder)trans-83.3143170.4-63.4-82.4000110.6A115 I116 Q117 T135 S136 F139A115-Y124 HydrophobicContact CB-CD1 4.07Å; A115-Y124 HydrophobicContact CB-CE1 4.09Å; I116-Y124 WeakPolarHBondContact O-CA 3.1Å; Q117-Y124 HydrophobicContact CB-CD1 3.75Å; Q117-Y124 HydrophobicContact CB-CE1 3.78Å; Q117-Y124 HydrophobicContact CB-CG 4.5Å; Q117-Y124 HydrophobicContact CG-CD1 4.05Å; Q117-Y124 HydrophobicContact CG-CE1 3.97Å; Q117-Y124 HydrophobicContact CG-CG 4.43Å; Y124-T135 CarbonylContact O-C 3.49Å; Y124-T135 VanDerWaalsContact O-CA 3.24Å; Y124-T135 WeakPolarHBondContact O-CA 3.25Å; Y124-S136 PolarHBondContact N-O 2.76Å; Y124-S136 PolarHBondContact O-N 2.95Å; Y124-F139 HydrophobicContact CD1-CD2 4.19Å; Y124-F139 HydrophobicContact CD2-CB 4.3Å; Y124-F139 HydrophobicContact CE1-CD2 4.14Å; Y124-F139 HydrophobicContact CE2-CB 3.91Å
125I98.8Very high98.2Very high0 Ų035.3 Ų35.30%019%0.192CC..EExtended strand (participates in β ladder)trans-74.4136.3161.3-57.6-176.6000107.6L83 M85 L91 F104 I116 L133 C143 F145L83-I125 HydrophobicContact CD2-CD1 3.74Å; M85-I125 HydrophobicContact CE-CG1 3.81Å; L91-I125 HydrophobicContact CD1-CB 4.49Å; L91-I125 HydrophobicContact CD1-CD1 4.29Å; L91-I125 HydrophobicContact CD1-CG1 4.07Å; L91-I125 HydrophobicContact CD1-CG2 3.91Å; L91-I125 HydrophobicContact CD2-CD1 3.91Å; L91-I125 HydrophobicContact CD2-CG1 4.08Å; F104-I125 HydrophobicContact CD1-CD1 4.42Å; F104-I125 HydrophobicContact CE1-CD1 3.9Å; I116-I125 HydrophobicContact CB-CB 4.45Å; I116-I125 HydrophobicContact CB-CD1 4.42Å; I116-I125 HydrophobicContact CG2-CD1 3.85Å; I116-I125 HydrophobicContact CG2-CG1 4.35Å; I116-I125 PolarHBondContact O-N 3.02Å; I125-L133 HydrophobicContact CG2-CD2 4.35Å; I125-C143 WeakPolarHBondContact O-CA 3.49Å; I125-F145 HydrophobicContact CB-CE2 4.4Å; I125-F145 HydrophobicContact CG2-CE2 4.14Å; I125-F145 HydrophobicContact CG2-CZ 4.03Å; I125-F145 WeakPolarHBondContact O-CE2 3.37Å
126A98.8Very high98.2Very high0 Ų035.5 Ų35.50%019%0.194CC..EExtended strand (participates in β ladder)trans-137160.6176.600000110.8L133 Y134 E142A126-L133 WeakPolarHBondContact O-CA 3.35Å; A126-Y134 HydrophobicContact CB-CD1 3.97Å; A126-Y134 HydrophobicContact CB-CD2 4.29Å; A126-Y134 HydrophobicContact CB-CE1 3.43Å; A126-Y134 VanDerWaalsContact CB-CE1 3.43Å; A126-Y134 HydrophobicContact CB-CE2 3.77Å; A126-Y134 HydrophobicContact CB-CG 4.37Å; A126-Y134 PolarHBondContact N-O 2.77Å; A126-Y134 PolarHBondContact O-N 2.83Å; A126-E142 WeakPolarHBondContact CA-O 3.38Å; A126-E142 HydrophobicContact CB-CB 4.18Å
127M98.8Very high98.1Very high0 Ų043.1 Ų43.10%023%0.229CC..EExtended strand (participates in β ladder)trans-129.7122.3175.2-175.1-178.2-67.500110H132 L133 E142 F145 Y162 W171M127-H132 WeakPolarHBondContact CA-O 3.5Å; M127-L133 HydrophobicContact CB-CD2 4.07Å; M127-L133 HydrophobicContact CE-CD2 3.53Å; M127-L133 HydrophobicContact CE-CG 4.33Å; M127-L133 HydrophobicContact CG-CD2 4.34Å; M127-E142 PolarHBondContact N-O 3.41Å; M127-E142 VanDerWaalsContact N-O 3.12Å; M127-E142 WeakPolarHBondContact O-CB 3.41Å; M127-F145 HydrophobicContact CB-CE1 4.31Å; M127-F145 HydrophobicContact CB-CZ 4.27Å; M127-F145 HydrophobicContact CE-CE1 4.3Å; M127-Y162 WeakPolarHBondContact O-CD2 3.24Å; M127-Y162 WeakPolarHBondContact O-CE2 2.68Å; M127-W171 HydrophobicContact SD-CB 3.77Å; M127-W171 HydrophobicContact SD-CE3 4.2Å
128N98.2Very high98.1Very high41 Ų4144.1 Ų44.122%0.21924%0.236CC..  trans-82.4173.1-177.4758.4000113.4E130 G131 H132 Y134 E142 Y162N128-E130 PolarHBondContact O-N 3.11Å; N128-E130 VanDerWaalsContact O-N 3.11Å; N128-E130 WeakPolarHBondContact OD1-CB 3.32Å; N128-E130 PolarHBondContact OD1-N 3.18Å; N128-E130 VanDerWaalsContact OD1-N 3.1Å; N128-G131 WeakPolarHBondContact O-CA 3.4Å; N128-G131 PolarHBondContact O-N 3.29Å; N128-G131 PolarHBondContact OD1-N 3.04Å; N128-H132 PolarHBondContact N-O 3.06Å; N128-H132 PolarHBondContact OD1-N 3.19Å; N128-Y134 HydrophobicContact CB-CD1 4.09Å; N128-Y134 HydrophobicContact CB-CE1 3.83Å; N128-E142 VanDerWaalsContact CA-OE1 3.32Å; N128-E142 WeakPolarHBondContact CA-OE1 3.34Å; N128-Y162 VanDerWaalsContact C-CD2 3.49Å; N128-Y162 VanDerWaalsContact O-CD2 3.25Å; N128-Y162 WeakPolarHBondContact O-CD2 3.45Å
129G97.9Very high98.1Very high40 Ų4044.7 Ų44.741%0.41224%0.238SC..THydrogen-bonded Turntrans-61-16.3179.200000115.8Y162 W171G129-Y162 VanDerWaalsContact N-CE2 3.31Å; G129-W171 WeakPolarHBondContact O-CH2 3.48Å; G129-W171 WeakPolarHBondContact O-CZ3 3.44Å
130E97.8Very high98.1Very high118 Ų11841.7 Ų41.755%0.55122%0.22SC*.THydrogen-bonded Turntrans-86.8-18.8171.6-59.2-178.7169.500111.9N128 H132 W171 K183N128-E130 PolarHBondContact O-N 3.11Å; N128-E130 VanDerWaalsContact O-N 3.11Å; N128-E130 WeakPolarHBondContact OD1-CB 3.32Å; N128-E130 PolarHBondContact OD1-N 3.18Å; N128-E130 VanDerWaalsContact OD1-N 3.1Å; E130-H132 IonicContact OE2-CE1 3.06Å; E130-H132 PolarHBondContact OE2-CE1 2.9Å; E130-H132 IonicContact OE2-ND1 2.9Å; E130-H132 PolarHBondContact OE2-ND1 3.13Å; E130-W171 VanDerWaalsContact C-CZ3 3.46Å; E130-K183 WeakPolarHBondContact O-CE 3.27Å; E130-K183 PolarHBondContact O-NZ 3.04Å
131G97.9Very high98.2Very high0 Ų037.6 Ų37.60%021%0.208CC..  trans96.69.4-177.600000113.1N128 W171 K183 G184N128-G131 WeakPolarHBondContact O-CA 3.4Å; N128-G131 PolarHBondContact O-N 3.29Å; N128-G131 PolarHBondContact OD1-N 3.04Å; G131-W171 VanDerWaalsContact CA-CE3 3.46Å; G131-K183 CarbonylContact O-C 3.55Å; G131-K183 WeakPolarHBondContact O-CA 3.37Å; G131-K183 WeakPolarHBondContact O-CG 3.44Å; G131-G184 PolarHBondContact O-N 2.71Å
132H98.4Very high98.3Very high76 Ų7636 Ų3635%0.35220%0.197SC..  trans-74.2134.9172.2-62116.2000109.5M127 N128 E130 K183M127-H132 WeakPolarHBondContact CA-O 3.5Å; N128-H132 PolarHBondContact N-O 3.06Å; N128-H132 PolarHBondContact OD1-N 3.19Å; E130-H132 IonicContact OE2-CE1 3.06Å; E130-H132 PolarHBondContact OE2-CE1 2.9Å; E130-H132 IonicContact OE2-ND1 2.9Å; E130-H132 PolarHBondContact OE2-ND1 3.13Å; H132-K183 PolarHBondContact CE1-NZ 2.92Å; H132-K183 PolarHBondContact NE2-NZ 3.08Å; H132-K183 VanDerWaalsContact NE2-NZ 3.19Å
133L98.5Very high98.3Very high31 Ų3134.5 Ų34.516%0.16218%0.181CC..EExtended strand (participates in β ladder)trans-78.8137.3168.5-66.2170.4000108.3L91 I125 A126 M127 F145 L173 A181L91-L133 HydrophobicContact CD1-CB 4.35Å; I125-L133 HydrophobicContact CG2-CD2 4.35Å; A126-L133 WeakPolarHBondContact O-CA 3.35Å; M127-L133 HydrophobicContact CB-CD2 4.07Å; M127-L133 HydrophobicContact CE-CD2 3.53Å; M127-L133 HydrophobicContact CE-CG 4.33Å; M127-L133 HydrophobicContact CG-CD2 4.34Å; L133-F145 HydrophobicContact CD2-CZ 4.41Å; L133-L173 HydrophobicContact CD1-CD1 3.43Å; L133-L173 VanDerWaalsContact CD1-CD1 3.43Å; L133-L173 HydrophobicContact CD2-CD1 4.15Å; L133-L173 HydrophobicContact CG-CD1 4.44Å; L133-A181 HydrophobicContact CD1-CB 4.28Å
134Y98.3Very high98.3Very high58 Ų5835.5 Ų35.523%0.22719%0.185CC..EExtended strand (participates in β ladder)trans-147.517417774.1-82.7000109.6A126 N128 E142A126-Y134 HydrophobicContact CB-CD1 3.97Å; A126-Y134 HydrophobicContact CB-CD2 4.29Å; A126-Y134 HydrophobicContact CB-CE1 3.43Å; A126-Y134 VanDerWaalsContact CB-CE1 3.43Å; A126-Y134 HydrophobicContact CB-CE2 3.77Å; A126-Y134 HydrophobicContact CB-CG 4.37Å; A126-Y134 PolarHBondContact N-O 2.77Å; A126-Y134 PolarHBondContact O-N 2.83Å; N128-Y134 HydrophobicContact CB-CD1 4.09Å; N128-Y134 HydrophobicContact CB-CE1 3.83Å; Y134-E142 WeakPolarHBondContact CE1-OE2 3.5Å; Y134-E142 PolarHBondContact OH-OE2 2.94Å
135T98.4Very high98.3Very high40 Ų4034.5 Ų34.525%0.24518%0.181CC..EExtended strand (participates in β ladder)trans-109.3137.9177.454.30000111.6M85 G89 L91 Y124M85-T135 HydrophobicContact CE-CG2 3.52Å; M85-T135 HydrophobicContact CG-CG2 4.38Å; M85-T135 HydrophobicContact SD-CG2 3.91Å; G89-T135 WeakPolarHBondContact O-CG2 3.25Å; L91-T135 HydrophobicContact CD1-CG2 4.19Å; L91-T135 HydrophobicContact CG-CG2 4.13Å; Y124-T135 CarbonylContact O-C 3.49Å; Y124-T135 VanDerWaalsContact O-CA 3.24Å; Y124-T135 WeakPolarHBondContact O-CA 3.25Å
136S98.2Very high98.3Very high5 Ų538.7 Ų38.74%0.03520%0.199CC..EExtended strand (participates in β ladder)trans-124.8135-179.3-174.20000110.8Y124 L138Y124-S136 PolarHBondContact N-O 2.76Å; Y124-S136 PolarHBondContact O-N 2.95Å; S136-L138 WeakPolarHBondContact CB-O 3.41Å; S136-L138 PolarHBondContact OG-N 2.93Å; S136-L138 PolarHBondContact OG-O 3.16Å
137E97.3Very high98.3Very high159 Ų15940.8 Ų40.874%0.74321%0.209SC*.SBendtrans-70.4-40168.5-69.5179.3-175.700111.1L123L123-E137 HydrophobicContact CD2-CB 4.22Å; L123-E137 HydrophobicContact CD2-CG 3.39Å
138L97.7Very high98.3Very high55 Ų5542.6 Ų42.629%0.28822%0.222SC..SBendtrans-89.7138.9-178.5-58.7-179.8000110.6S136 T140 H212 E216 T217S136-L138 WeakPolarHBondContact CB-O 3.41Å; S136-L138 PolarHBondContact OG-N 2.93Å; S136-L138 PolarHBondContact OG-O 3.16Å; L138-T140 HydrophobicContact CB-CG2 4.42Å; L138-T140 PolarHBondContact O-N 3.06Å; L138-H212 HydrophobicContact CB-CB 4.22Å; L138-H212 HydrophobicContact CD1-CB 4.31Å; L138-E216 HydrophobicContact CD1-CB 4.37Å; L138-T217 HydrophobicContact CB-CG2 4.4Å; L138-T217 HydrophobicContact CD1-CG2 4.45Å
139F98.4Very high98.3Very high11 Ų1144.4 Ų44.45%0.04823%0.234CC..  trans-75.8107.5171.1178.7-113.4000110V109 A115 Y124 C143 K144 P209 L211 H212V109-F139 HydrophobicContact CB-CZ 4.02Å; V109-F139 HydrophobicContact CG1-CE1 4.44Å; V109-F139 HydrophobicContact CG1-CE2 4.32Å; V109-F139 HydrophobicContact CG1-CZ 3.81Å; V109-F139 HydrophobicContact CG2-CZ 4.02Å; A115-F139 HydrophobicContact CB-CD2 4.13Å; A115-F139 HydrophobicContact CB-CE2 3.6Å; A115-F139 HydrophobicContact CB-CZ 4.45Å; Y124-F139 HydrophobicContact CD1-CD2 4.19Å; Y124-F139 HydrophobicContact CD2-CB 4.3Å; Y124-F139 HydrophobicContact CE1-CD2 4.14Å; Y124-F139 HydrophobicContact CE2-CB 3.91Å; F139-C143 HydrophobicContact CD2-CB 3.59Å; F139-C143 HydrophobicContact CE2-CB 3.76Å; F139-K144 HydrophobicContact CE2-CG 4.1Å; F139-K144 HydrophobicContact CZ-CD 4.3Å; F139-K144 HydrophobicContact CZ-CG 3.78Å; F139-P209 HydrophobicContact CB-CB 3.76Å; F139-P209 HydrophobicContact CD1-CB 3.58Å; F139-P209 HydrophobicContact CD2-CB 4.33Å; F139-P209 HydrophobicContact CE1-CB 4.21Å; F139-P209 HydrophobicContact CG-CB 3.63Å; F139-P209 HydrophobicContact CG-CG 4.49Å; F139-L211 HydrophobicContact CD1-CB 4.48Å; F139-L211 HydrophobicContact CD1-CD1 4.08Å; F139-L211 HydrophobicContact CE1-CD1 3.98Å; F139-L211 WeakPolarHBondContact O-CA 3.29Å; F139-H212 PolarHBondContact O-N 3.44Å
140T98.5Very high98.3Very high0 Ų043.5 Ų43.50%022%0.219CC..BIsolated β-bridgetrans-111.9175.2177.969.20000111.1L138 E142 C143 H212 T217L138-T140 HydrophobicContact CB-CG2 4.42Å; L138-T140 PolarHBondContact O-N 3.06Å; T140-E142 PolarHBondContact O-N 2.9Å; T140-E142 PolarHBondContact OG1-N 2.89Å; T140-C143 PolarHBondContact N-SG 2.84Å; T140-C143 VanDerWaalsContact N-SG 3.42Å; T140-C143 WeakPolarHBondContact O-CB 3.38Å; T140-C143 PolarHBondContact O-N 2.75Å; T140-C143 VanDerWaalsContact O-N 3.09Å; T140-H212 HydrophobicContact CG2-CB 4.4Å; T140-T217 HydrophobicContact CG2-CG2 3.86Å
141A98.3Very high98.2Very high29 Ų2944.5 Ų44.524%0.2422%0.223CC..G310 helixtrans-62.3-24.6173.800000113.1C143 K144 L161A141-C143 VanDerWaalsContact C-N 3.25Å; A141-C143 PolarHBondContact O-N 2.81Å; A141-K144 WeakPolarHBondContact O-CB 3.48Å; A141-K144 PolarHBondContact O-N 3.04Å; A141-L161 HydrophobicContact CB-CD1 3.78Å; A141-L161 HydrophobicContact CB-CD2 4.3Å; A141-L161 HydrophobicContact CB-CG 4.39Å
142E98.7Very high98Very high10 Ų1052 Ų525%0.04726%0.264CS..G310 helixtrans-72.6-16.6175.3-65.5-167.315300113.3A126 M127 N128 Y134 T140 K144 L161 Y162 V214A126-E142 WeakPolarHBondContact CA-O 3.38Å; A126-E142 HydrophobicContact CB-CB 4.18Å; M127-E142 PolarHBondContact N-O 3.41Å; M127-E142 VanDerWaalsContact N-O 3.12Å; M127-E142 WeakPolarHBondContact O-CB 3.41Å; N128-E142 VanDerWaalsContact CA-OE1 3.32Å; N128-E142 WeakPolarHBondContact CA-OE1 3.34Å; Y134-E142 WeakPolarHBondContact CE1-OE2 3.5Å; Y134-E142 PolarHBondContact OH-OE2 2.94Å; T140-E142 PolarHBondContact O-N 2.9Å; T140-E142 PolarHBondContact OG1-N 2.89Å; E142-K144 VanDerWaalsContact C-N 3.26Å; E142-K144 PolarHBondContact O-N 3.02Å; E142-L161 HydrophobicContact CG-CD1 3.88Å; E142-Y162 HydrophobicContact CG-CE2 3.87Å; E142-Y162 WeakPolarHBondContact OE1-CE2 3.49Å; E142-Y162 PolarHBondContact OE1-OH 3.48Å; E142-V214 HydrophobicContact CG-CG1 4.27Å; E142-V214 HydrophobicContact CG-CG2 3.88Å
143C98.8Very high97.8Very high0 Ų055.4 Ų55.40%027%0.274CS..G310 helixtrans-81.3-4.4175.8-57.50000113I125 F139 T140 A141 F145I125-C143 WeakPolarHBondContact O-CA 3.49Å; F139-C143 HydrophobicContact CD2-CB 3.59Å; F139-C143 HydrophobicContact CE2-CB 3.76Å; T140-C143 PolarHBondContact N-SG 2.84Å; T140-C143 VanDerWaalsContact N-SG 3.42Å; T140-C143 WeakPolarHBondContact O-CB 3.38Å; T140-C143 PolarHBondContact O-N 2.75Å; T140-C143 VanDerWaalsContact O-N 3.09Å; A141-C143 VanDerWaalsContact C-N 3.25Å; A141-C143 PolarHBondContact O-N 2.81Å; C143-F145 WeakPolarHBondContact O-CD2 3.38Å
144K98.8Very high97.8Very high51 Ų5155.5 Ų55.522%0.22227%0.272CS..  trans-91.8115.9-175.4-64.9-176.6-179.1179.60110.9V109 V113 F139 A141 E142 M160V109-K144 HydrophobicContact CG2-CG 4.22Å; V113-K144 HydrophobicContact CG1-CB 3.85Å; V113-K144 HydrophobicContact CG1-CG 4.4Å; F139-K144 HydrophobicContact CE2-CG 4.1Å; F139-K144 HydrophobicContact CZ-CD 4.3Å; F139-K144 HydrophobicContact CZ-CG 3.78Å; A141-K144 WeakPolarHBondContact O-CB 3.48Å; A141-K144 PolarHBondContact O-N 3.04Å; E142-K144 VanDerWaalsContact C-N 3.26Å; E142-K144 PolarHBondContact O-N 3.02Å; K144-M160 HydrophobicContact CB-CB 4.07Å; K144-M160 HydrophobicContact CB-CG 3.93Å; K144-M160 WeakPolarHBondContact O-CB 3.48Å; K144-M160 WeakPolarHBondContact O-CG 3.44Å; K144-M160 PolarHBondContact O-N 2.87Å; K144-M160 VanDerWaalsContact O-N 3.16Å
145F98.9Very high97.8Very high0 Ų054 Ų540%027%0.269CS..EExtended strand (participates in β ladder)trans-110.1127.7174.9-66.5-87.8000111.1V113 V114 I116 I125 M127 L133 C143 E147 Y157 S158V113-F145 CarbonylContact C-O 3.57Å; V113-F145 WeakPolarHBondContact CA-O 3.33Å; V114-F145 HydrophobicContact CG2-CB 4.38Å; V114-F145 PolarHBondContact N-O 2.89Å; V114-F145 PolarHBondContact O-N 3.43Å; I116-F145 HydrophobicContact CD1-CD2 4.25Å; I116-F145 HydrophobicContact CG1-CD2 4.46Å; I125-F145 HydrophobicContact CB-CE2 4.4Å; I125-F145 HydrophobicContact CG2-CE2 4.14Å; I125-F145 HydrophobicContact CG2-CZ 4.03Å; I125-F145 WeakPolarHBondContact O-CE2 3.37Å; M127-F145 HydrophobicContact CB-CE1 4.31Å; M127-F145 HydrophobicContact CB-CZ 4.27Å; M127-F145 HydrophobicContact CE-CE1 4.3Å; L133-F145 HydrophobicContact CD2-CZ 4.41Å; C143-F145 WeakPolarHBondContact O-CD2 3.38Å; F145-E147 PolarHBondContact O-N 2.84Å; F145-Y157 HydrophobicContact CB-CD1 4.45Å; F145-S158 CarbonylContact C-O 3.5Å; F145-S158 WeakPolarHBondContact CA-O 3.15Å
146K98.8Very high97.8Very high88 Ų8852.2 Ų52.238%0.38326%0.258SS..EExtended strand (participates in β ladder)trans-74118166.7-176.9174.9-179.41720108.9R112 Y157 S158 M160R112-K146 CarbonylContact O-C 3.58Å; R112-K146 WeakPolarHBondContact O-CA 2.99Å; K146-Y157 WeakPolarHBondContact O-CA 3.41Å; K146-S158 PolarHBondContact N-O 2.87Å; K146-S158 PolarHBondContact O-N 2.9Å; K146-M160 HydrophobicContact CB-CG 4.42Å; K146-M160 HydrophobicContact CB-SD 3.8Å
147E98Very high97.9Very high44 Ų4452 Ų5221%0.20626%0.257CS..EExtended strand (participates in β ladder)trans-81.3140.1168.854.2162.6-144.200110.2R112 V114 F145 V155 I156 Y157R112-E147 HydrophobicContact CB-CG 4.15Å; R112-E147 WeakPolarHBondContact CD-OE1 3.31Å; R112-E147 IonicContact NH1-OE1 3.41Å; R112-E147 PolarHBondContact NH1-OE1 3.35Å; R112-E147 VanDerWaalsContact O-CG 3.32Å; R112-E147 WeakPolarHBondContact O-CG 3.38Å; R112-E147 PolarHBondContact O-N 3.47Å; V114-E147 HydrophobicContact CG1-CG 4.31Å; F145-E147 PolarHBondContact O-N 2.84Å; E147-V155 HydrophobicContact CB-CG1 4.14Å; E147-I156 WeakPolarHBondContact CA-O 3.19Å; E147-Y157 HydrophobicContact CB-CD1 4Å; E147-Y157 HydrophobicContact CB-CE1 3.85Å
148S98.3Very high98Very high39 Ų3944.7 Ų44.727%0.27322%0.223SC..EExtended strand (participates in β ladder)trans-147.4151.4174.8-68.80000109.5V155 I156S148-V155 WeakPolarHBondContact O-CA 3.46Å; S148-I156 PolarHBondContact N-O 3.18Å; S148-I156 WeakPolarHBondContact O-CG1 3.41Å; S148-I156 PolarHBondContact O-N 2.99Å
149V98.2Very high98Very high78 Ų7842.1 Ų42.147%0.47321%0.21SC..EExtended strand (participates in β ladder)trans-89.2141.1176-1770000109.5N152 Y154V149-N152 VanDerWaalsContact CG1-CA 3.48Å; V149-Y154 CarbonylContact C-O 3.52Å; V149-Y154 WeakPolarHBondContact CA-O 3.41Å
150F98.1Very high98Very high22 Ų2245.5 Ų45.510%0.09623%0.227CC..EExtended strand (participates in β ladder)trans-119.8129.6172.7-175.7-99.2000109.7N152 Y153 Y154 I156 K189 T190 H195F150-N152 PolarHBondContact O-N 2.91Å; F150-Y153 PolarHBondContact O-N 3.03Å; F150-Y153 VanDerWaalsContact O-N 3.07Å; F150-Y154 HydrophobicContact CD1-CD2 4.43Å; F150-Y154 PolarHBondContact N-O 3.36Å; F150-Y154 PolarHBondContact O-N 3.36Å; F150-I156 HydrophobicContact CB-CG2 4Å; F150-K189 HydrophobicContact CD2-CD 4.41Å; F150-K189 HydrophobicContact CD2-CG 3.86Å; F150-K189 HydrophobicContact CE2-CG 4.12Å; F150-T190 HydrophobicContact CE2-CG2 4.04Å; F150-T190 HydrophobicContact CZ-CG2 4.12Å; F150-H195 AromaticContact CD1-CE1 3.31Å; F150-H195 WeakPolarHBondContact CD1-CE1 3.37Å; F150-H195 AromaticContact CD1-NE2 3.42Å; F150-H195 WeakPolarHBondContact CD1-NE2 3.41Å; F150-H195 AromaticContact CE1-CE1 3.3Å; F150-H195 WeakPolarHBondContact CE1-CE1 3.46Å; F150-H195 AromaticContact CE1-NE2 3.55Å
151E95.3Very high98Very high138 Ų13849.3 Ų49.365%0.64525%0.247SC*.THydrogen-bonded Turntrans49.931.4-177.9-69.6175.1174.900114Y153E151-Y153 PolarHBondContact O-N 2.82Å; E151-Y153 VanDerWaalsContact O-N 3.08Å
152N93.5Very high98Very high159 Ų15950.7 Ų50.785%0.8525%0.246SC*.THydrogen-bonded Turntrans56.519.1-177.5-62.5-23.3000115.3V149 F150V149-N152 VanDerWaalsContact CG1-CA 3.48Å; F150-N152 PolarHBondContact O-N 2.91Å
153Y94.9Very high98Very high147 Ų14754.5 Ų54.558%0.57626%0.26SS*.THydrogen-bonded Turntrans-135.2-49.8-174.4-176.6-110.3000112.9F150 E151 L197F150-Y153 PolarHBondContact O-N 3.03Å; F150-Y153 VanDerWaalsContact O-N 3.07Å; E151-Y153 PolarHBondContact O-N 2.82Å; E151-Y153 VanDerWaalsContact O-N 3.08Å; Y153-L197 HydrophobicContact CD1-CD2 4.13Å; Y153-L197 HydrophobicContact CE1-CD1 4.01Å; Y153-L197 HydrophobicContact CE1-CD2 3.79Å; Y153-L197 HydrophobicContact CE1-CG 4.42Å; Y153-L197 HydrophobicContact CE2-CD2 4.39Å; Y153-L197 WeakPolarHBondContact O-CD2 3.5Å
154Y98.6Very high97.9Very high32 Ų3257.6 Ų57.613%0.12528%0.275CS..EExtended strand (participates in β ladder)trans-91.2149.3-178.6-62-69.4000111.7R78 V149 F150 H195 L197R78-Y154 HydrophobicContact CB-CE1 4.02Å; R78-Y154 VanDerWaalsContact CD-CZ 3.45Å; R78-Y154 WeakPolarHBondContact CD-OH 3.3Å; R78-Y154 HydrophobicContact CG-CE1 4.05Å; R78-Y154 PolarHBondContact NE-OH 2.87Å; V149-Y154 CarbonylContact C-O 3.52Å; V149-Y154 WeakPolarHBondContact CA-O 3.41Å; F150-Y154 HydrophobicContact CD1-CD2 4.43Å; F150-Y154 PolarHBondContact N-O 3.36Å; F150-Y154 PolarHBondContact O-N 3.36Å; Y154-H195 HydrophobicContact CD1-CB 3.7Å; Y154-H195 HydrophobicContact CD2-CB 4.08Å; Y154-H195 AromaticContact CD2-CG 3.86Å; Y154-H195 AromaticContact CD2-ND1 3.26Å; Y154-H195 VanDerWaalsContact CD2-ND1 3.26Å; Y154-H195 WeakPolarHBondContact CD2-ND1 3.5Å; Y154-H195 HydrophobicContact CE1-CB 4.27Å; Y154-H195 AromaticContact CE2-ND1 3.58Å; Y154-H195 HydrophobicContact CG-CB 3.59Å; Y154-H195 AromaticContact CG-CG 3.83Å; Y154-H195 AromaticContact CG-ND1 3.73Å; Y154-L197 HydrophobicContact CD1-CD2 3.78Å; Y154-L197 HydrophobicContact CD1-CG 3.95Å; Y154-L197 HydrophobicContact CE1-CD1 4.25Å; Y154-L197 HydrophobicContact CE1-CD2 4.14Å; Y154-L197 HydrophobicContact CE1-CG 4.07Å
155V98.8Very high97.7Very high26 Ų2663.7 Ų63.716%0.15830%0.304CS..EExtended strand (participates in β ladder)trans-99.8137.1166.3-173.40000108.8E147 S148 Y157 F196 P198E147-V155 HydrophobicContact CB-CG1 4.14Å; S148-V155 WeakPolarHBondContact O-CA 3.46Å; V155-Y157 HydrophobicContact CB-CE2 4.47Å; V155-Y157 HydrophobicContact CG1-CE1 3.83Å; V155-Y157 HydrophobicContact CG1-CE2 4.01Å; V155-F196 PolarHBondContact N-O 3.25Å; V155-F196 PolarHBondContact O-N 2.8Å; V155-P198 HydrophobicContact CB-CG 4.25Å; V155-P198 HydrophobicContact CG2-CG 3.9Å
156I98.8Very high97.5Very high3 Ų372.7 Ų72.72%0.01535%0.346CS..EExtended strand (participates in β ladder)trans-120.9142.1174.369.1-175.4000108.9E147 S148 F150 F172 K189 A194E147-I156 WeakPolarHBondContact CA-O 3.19Å; S148-I156 PolarHBondContact N-O 3.18Å; S148-I156 WeakPolarHBondContact O-CG1 3.41Å; S148-I156 PolarHBondContact O-N 2.99Å; F150-I156 HydrophobicContact CB-CG2 4Å; I156-F172 HydrophobicContact CB-CD1 4.25Å; I156-F172 HydrophobicContact CB-CE1 4.39Å; I156-F172 HydrophobicContact CD1-CD1 4.32Å; I156-F172 HydrophobicContact CD1-CE1 3.62Å; I156-F172 HydrophobicContact CD1-CZ 4.34Å; I156-F172 HydrophobicContact CG1-CD1 4.35Å; I156-F172 HydrophobicContact CG1-CE1 4.02Å; I156-K189 HydrophobicContact CD1-CB 4.41Å; I156-K189 HydrophobicContact CD1-CD 3.78Å; I156-K189 HydrophobicContact CD1-CG 3.61Å; I156-A194 HydrophobicContact CG2-CB 4.38Å; I156-A194 WeakPolarHBondContact CG2-O 3.34Å
157Y98.9Very high97.5Very high0 Ų072.3 Ų72.30%036%0.355CS..EExtended strand (participates in β ladder)trans-116.2113.6-179.2-59-78000109.1L75 L106 V114 I116 F145 K146 E147 V155 F172 L173 F196L75-Y157 HydrophobicContact CD1-CE2 4.3Å; L75-Y157 HydrophobicContact CD2-CE2 4.15Å; L106-Y157 HydrophobicContact CD2-CE1 4.37Å; V114-Y157 HydrophobicContact CG2-CD1 3.88Å; V114-Y157 HydrophobicContact CG2-CE1 3.85Å; I116-Y157 HydrophobicContact CD1-CD1 4.17Å; I116-Y157 HydrophobicContact CD1-CD2 4.5Å; I116-Y157 HydrophobicContact CD1-CG 4.17Å; F145-Y157 HydrophobicContact CB-CD1 4.45Å; K146-Y157 WeakPolarHBondContact O-CA 3.41Å; E147-Y157 HydrophobicContact CB-CD1 4Å; E147-Y157 HydrophobicContact CB-CE1 3.85Å; V155-Y157 HydrophobicContact CB-CE2 4.47Å; V155-Y157 HydrophobicContact CG1-CE1 3.83Å; V155-Y157 HydrophobicContact CG1-CE2 4.01Å; Y157-F172 VanDerWaalsContact O-CA 3.31Å; Y157-F172 WeakPolarHBondContact O-CA 3.29Å; Y157-L173 HydrophobicContact CD2-CD2 4.19Å; Y157-L173 PolarHBondContact O-N 3.03Å; Y157-F196 HydrophobicContact CD2-CD2 4.22Å; Y157-F196 HydrophobicContact CE2-CB 4.09Å; Y157-F196 HydrophobicContact CE2-CD2 4.5Å; Y157-F196 HydrophobicContact CE2-CG 4.41Å
158S98.9Very high97.4Very high6 Ų672.3 Ų72.34%0.04237%0.366CS..EExtended strand (participates in β ladder)trans-109.1146.7178.268.40000112.1F145 K146 M160 W171F145-S158 CarbonylContact C-O 3.5Å; F145-S158 WeakPolarHBondContact CA-O 3.15Å; K146-S158 PolarHBondContact N-O 2.87Å; K146-S158 PolarHBondContact O-N 2.9Å; S158-M160 PolarHBondContact O-N 3.42Å; S158-W171 CarbonylContact C-O 3.6Å; S158-W171 WeakPolarHBondContact CA-O 3.32Å; S158-W171 VanDerWaalsContact CB-O 3.31Å; S158-W171 WeakPolarHBondContact CB-O 3.32Å
159S98.8Very high97.4Very high1 Ų174.4 Ų74.41%0.00737%0.368CS..EExtended strand (participates in β ladder)trans-54135.9170.6179.60000110.6L161 Y162 R163 W171S159-L161 VanDerWaalsContact C-N 3.33Å; S159-L161 PolarHBondContact OG-N 3.21Å; S159-Y162 PolarHBondContact OG-N 2.66Å; S159-R163 PolarHBondContact O-NH2 2.88Å; S159-W171 PolarHBondContact N-O 3.17Å
160M98.3Very high97.4Very high82 Ų8271.1 Ų71.140%0.40435%0.349SS..EExtended strand (participates in β ladder)trans-72.5-29.4170.6-84.2-66-61.300112.3V113 K144 K146 S158V113-M160 HydrophobicContact CG1-CG 3.91Å; V113-M160 HydrophobicContact CG1-SD 4.46Å; V113-M160 HydrophobicContact CG2-CE 4.31Å; V113-M160 HydrophobicContact CG2-CG 4.32Å; V113-M160 HydrophobicContact CG2-SD 3.78Å; K144-M160 HydrophobicContact CB-CB 4.07Å; K144-M160 HydrophobicContact CB-CG 3.93Å; K144-M160 WeakPolarHBondContact O-CB 3.48Å; K144-M160 WeakPolarHBondContact O-CG 3.44Å; K144-M160 PolarHBondContact O-N 2.87Å; K144-M160 VanDerWaalsContact O-N 3.16Å; K146-M160 HydrophobicContact CB-CG 4.42Å; K146-M160 HydrophobicContact CB-SD 3.8Å; S158-M160 PolarHBondContact O-N 3.42Å
161L97.8Very high97.5Very high81 Ų8171.3 Ų71.342%0.42435%0.349SS..EExtended strand (participates in β ladder)trans-95.4-43.8-174.1-63.2180000112.9A141 E142 S159A141-L161 HydrophobicContact CB-CD1 3.78Å; A141-L161 HydrophobicContact CB-CD2 4.3Å; A141-L161 HydrophobicContact CB-CG 4.39Å; E142-L161 HydrophobicContact CG-CD1 3.88Å; S159-L161 VanDerWaalsContact C-N 3.33Å; S159-L161 PolarHBondContact OG-N 3.21Å
162Y98.5Very high97.6Very high57 Ų5765.3 Ų65.322%0.22432%0.321CS..EExtended strand (participates in β ladder)trans-108.2133.1-163.5-53.9-57.1000113.4M127 N128 G129 E142 S159 W171M127-Y162 WeakPolarHBondContact O-CD2 3.24Å; M127-Y162 WeakPolarHBondContact O-CE2 2.68Å; N128-Y162 VanDerWaalsContact C-CD2 3.49Å; N128-Y162 VanDerWaalsContact O-CD2 3.25Å; N128-Y162 WeakPolarHBondContact O-CD2 3.45Å; G129-Y162 VanDerWaalsContact N-CE2 3.31Å; E142-Y162 HydrophobicContact CG-CE2 3.87Å; E142-Y162 WeakPolarHBondContact OE1-CE2 3.49Å; E142-Y162 PolarHBondContact OE1-OH 3.48Å; S159-Y162 PolarHBondContact OG-N 2.66Å; Y162-W171 VanDerWaalsContact CB-CE3 3.48Å; Y162-W171 HydrophobicContact CG-CE3 4.46Å; Y162-W171 HydrophobicContact CG-CZ3 4.33Å
163R98.4Very high97.9Very high90 Ų9057.8 Ų57.834%0.3428%0.281SS..EExtended strand (participates in β ladder)trans-149.2162.3-178.3-54.8-174.1173.5-94.2-21.5108.7S159 Q165 R169S159-R163 PolarHBondContact O-NH2 2.88Å; R163-Q165 PolarHBondContact O-N 2.77Å; R163-R169 CarbonylContact C-O 3.59Å; R163-R169 WeakPolarHBondContact CA-O 3.47Å
164Q97.9Very high98.1Very high65 Ų6550.8 Ų50.830%0.30425%0.253SS..  trans-64.1124.8169.5-164.77243.200109.2E166 S167 G168 R169Q164-E166 PolarHBondContact O-N 3.45Å; Q164-S167 WeakPolarHBondContact CB-OG 3.5Å; Q164-S167 WeakPolarHBondContact CG-OG 3.31Å; Q164-G168 VanDerWaalsContact O-CA 3.26Å; Q164-G168 WeakPolarHBondContact O-CA 3.47Å; Q164-G168 PolarHBondContact O-N 2.85Å; Q164-R169 HydrophobicContact CB-CB 4.09Å; Q164-R169 PolarHBondContact N-O 2.49Å
165Q94.5Very high98.1Very high180 Ų18049.2 Ų49.284%0.84125%0.247SC*.THydrogen-bonded Turntrans-60.3-47.5-173.6-64.9-62.2-1600112.8R163R163-Q165 PolarHBondContact O-N 2.77Å
166E95.3Very high98.1Very high189 Ų18949.4 Ų49.488%0.88325%0.247SC*.THydrogen-bonded Turntrans-75.4-48.5-175.5-63.9171.8-179.500113.1Q164Q164-E166 PolarHBondContact O-N 3.45Å
167S97.1Very high98.1Very high80 Ų8056.9 Ų56.956%0.55928%0.28SS*.THydrogen-bonded Turntrans-89.8-10.1-173.761.30000114.4Q164 R169Q164-S167 WeakPolarHBondContact CB-OG 3.5Å; Q164-S167 WeakPolarHBondContact CG-OG 3.31Å; S167-R169 PolarHBondContact O-N 2.89Å; S167-R169 VanDerWaalsContact O-N 3.1Å; S167-R169 WeakPolarHBondContact OG-CB 3.47Å; S167-R169 PolarHBondContact OG-N 2.84Å
168G97.4Very high98.1Very high43 Ų4362.5 Ų62.544%0.44331%0.306SS..  trans65.95.7-171.500000114.6Q164 A170Q164-G168 VanDerWaalsContact O-CA 3.26Å; Q164-G168 WeakPolarHBondContact O-CA 3.47Å; Q164-G168 PolarHBondContact O-N 2.85Å; G168-A170 PolarHBondContact O-N 3.14Å
169R98.1Very high98Very high83 Ų8362.3 Ų62.331%0.31331%0.305SS..PPolyproline II helixtrans-63.1124.2-177.4-178.8175.26184-2110.5R163 Q164 S167 N185R163-R169 CarbonylContact C-O 3.59Å; R163-R169 WeakPolarHBondContact CA-O 3.47Å; Q164-R169 HydrophobicContact CB-CB 4.09Å; Q164-R169 PolarHBondContact N-O 2.49Å; S167-R169 PolarHBondContact O-N 2.89Å; S167-R169 VanDerWaalsContact O-N 3.1Å; S167-R169 WeakPolarHBondContact OG-CB 3.47Å; S167-R169 PolarHBondContact OG-N 2.84Å; R169-N185 PolarHBondContact NH1-O 3.42Å; R169-N185 PolarHBondContact NH2-O 3.4Å; R169-N185 VanDerWaalsContact NH2-O 3.07Å
170A98.5Very high98Very high10 Ų1067.8 Ų67.88%0.08333%0.33CS..EExtended strand (participates in β ladder)trans-64154.517900000112.4G168 F172G168-A170 PolarHBondContact O-N 3.14Å; A170-F172 HydrophobicContact CB-CE1 4.26Å; A170-F172 HydrophobicContact CB-CE2 3.77Å; A170-F172 HydrophobicContact CB-CZ 3.61Å; A170-F172 WeakPolarHBondContact O-CD2 3.29Å; A170-F172 WeakPolarHBondContact O-CE2 3.43Å
171W98.8Very high98Very high25 Ų2565.8 Ų65.810%0.09533%0.327CS..EExtended strand (participates in β ladder)trans-100.5141.1169.4-64.40.2000109.6M127 G129 E130 G131 S158 S159 Y162 G184 N185M127-W171 HydrophobicContact SD-CB 3.77Å; M127-W171 HydrophobicContact SD-CE3 4.2Å; G129-W171 WeakPolarHBondContact O-CH2 3.48Å; G129-W171 WeakPolarHBondContact O-CZ3 3.44Å; E130-W171 VanDerWaalsContact C-CZ3 3.46Å; G131-W171 VanDerWaalsContact CA-CE3 3.46Å; S158-W171 CarbonylContact C-O 3.6Å; S158-W171 WeakPolarHBondContact CA-O 3.32Å; S158-W171 VanDerWaalsContact CB-O 3.31Å; S158-W171 WeakPolarHBondContact CB-O 3.32Å; S159-W171 PolarHBondContact N-O 3.17Å; Y162-W171 VanDerWaalsContact CB-CE3 3.48Å; Y162-W171 HydrophobicContact CG-CE3 4.46Å; Y162-W171 HydrophobicContact CG-CZ3 4.33Å; W171-G184 WeakPolarHBondContact CA-O 3.34Å; W171-N185 HydrophobicContact CD2-CB 3.81Å; W171-N185 VanDerWaalsContact CE2-CB 3.43Å; W171-N185 HydrophobicContact CG-CB 4.04Å; W171-N185 HydrophobicContact CZ2-CB 3.84Å
172F98.9Very high98.1Very high12 Ų1264.3 Ų64.35%0.05332%0.318CS..EExtended strand (participates in β ladder)trans-126.2145.8-167.7-62.1-89.5000112.2I156 Y157 A170 G184 V187 K189 A194I156-F172 HydrophobicContact CB-CD1 4.25Å; I156-F172 HydrophobicContact CB-CE1 4.39Å; I156-F172 HydrophobicContact CD1-CD1 4.32Å; I156-F172 HydrophobicContact CD1-CE1 3.62Å; I156-F172 HydrophobicContact CD1-CZ 4.34Å; I156-F172 HydrophobicContact CG1-CD1 4.35Å; I156-F172 HydrophobicContact CG1-CE1 4.02Å; Y157-F172 VanDerWaalsContact O-CA 3.31Å; Y157-F172 WeakPolarHBondContact O-CA 3.29Å; A170-F172 HydrophobicContact CB-CE1 4.26Å; A170-F172 HydrophobicContact CB-CE2 3.77Å; A170-F172 HydrophobicContact CB-CZ 3.61Å; A170-F172 WeakPolarHBondContact O-CD2 3.29Å; A170-F172 WeakPolarHBondContact O-CE2 3.43Å; F172-G184 PolarHBondContact N-O 3.01Å; F172-G184 VanDerWaalsContact N-O 3.12Å; F172-G184 VanDerWaalsContact O-CA 3.26Å; F172-G184 WeakPolarHBondContact O-CA 3.5Å; F172-V187 HydrophobicContact CB-CB 3.98Å; F172-V187 HydrophobicContact CB-CG1 3.65Å; F172-V187 WeakPolarHBondContact O-CB 3.47Å; F172-K189 HydrophobicContact CE1-CB 4.37Å; F172-K189 HydrophobicContact CE2-CB 3.92Å; F172-K189 HydrophobicContact CZ-CB 3.68Å; F172-K189 HydrophobicContact CZ-CD 4.49Å; F172-K189 HydrophobicContact CZ-CG 4.39Å; F172-A194 HydrophobicContact CB-CB 4.35Å
173L98.9Very high98.1Very high1 Ų164.1 Ų64.11%0.00532%0.318CS..  trans-59.3138.2158.9173.161.4000108.6L83 I116 L133 Y157 F196L83-L173 HydrophobicContact CD2-CD2 4.22Å; I116-L173 HydrophobicContact CD1-CD2 4.08Å; L133-L173 HydrophobicContact CD1-CD1 3.43Å; L133-L173 VanDerWaalsContact CD1-CD1 3.43Å; L133-L173 HydrophobicContact CD2-CD1 4.15Å; L133-L173 HydrophobicContact CG-CD1 4.44Å; Y157-L173 HydrophobicContact CD2-CD2 4.19Å; Y157-L173 PolarHBondContact O-N 3.03Å; L173-F196 HydrophobicContact CD2-CE2 4.43Å; L173-F196 HydrophobicContact CD2-CZ 4.37Å; L173-F196 HydrophobicContact CG-CE2 4.05Å; L173-F196 HydrophobicContact CG-CZ 3.99Å
174G98.8Very high98.1Very high0 Ų059.8 Ų59.80%030%0.302CS..  trans-173.3158.6175.900000114.4M182 A193G174-M182 PolarHBondContact O-N 2.88Å; G174-A193 CarbonylContact C-O 3.6Å; G174-A193 WeakPolarHBondContact CA-O 3.5Å
175L98.9Very high98.1Very high0 Ų058.8 Ų58.80%030%0.299CS..BIsolated β-bridgetrans-113.9148.7175.5-57.6-178.2000110.2C77 L83 Q180 A181 A193 F196C77-L175 HydrophobicContact CB-CD1 3.96Å; C77-L175 HydrophobicContact CB-CG 4.43Å; L83-L175 HydrophobicContact CD1-CD1 4.47Å; L83-L175 HydrophobicContact CD1-CD2 4.05Å; L175-Q180 CarbonylContact C-O 3.49Å; L175-Q180 VanDerWaalsContact CA-O 3.3Å; L175-Q180 WeakPolarHBondContact CA-O 3.36Å; L175-A181 HydrophobicContact CD2-CB 4.3Å; L175-A193 PolarHBondContact N-O 3.28Å; L175-A193 VanDerWaalsContact O-CA 3.25Å; L175-A193 WeakPolarHBondContact O-CA 3.42Å; L175-A193 WeakPolarHBondContact O-CB 3.46Å; L175-F196 HydrophobicContact CG-CZ 4.49Å
176N98.6Very high98.3Very high30 Ų3058.8 Ų58.816%0.1629%0.291CS..  trans-80.3-168173.568.67.2000111.6Q79 E178 G179 Q180 M182Q79-N176 WeakPolarHBondContact CB-O 3.48Å; Q79-N176 WeakPolarHBondContact CG-O 3.37Å; Q79-N176 PolarHBondContact NE2-O 2.78Å; Q79-N176 VanDerWaalsContact NE2-O 3.08Å; N176-E178 PolarHBondContact ND2-OE2 2.96Å; N176-E178 PolarHBondContact O-N 2.75Å; N176-E178 WeakPolarHBondContact OD1-CA 3.3Å; N176-E178 WeakPolarHBondContact OD1-CB 3.44Å; N176-E178 PolarHBondContact OD1-N 3.32Å; N176-E178 PolarHBondContact OD1-OE2 3.25Å; N176-G179 PolarHBondContact OD1-N 2.83Å; N176-Q180 PolarHBondContact N-O 2.75Å; N176-Q180 PolarHBondContact ND2-OE1 2.85Å; N176-Q180 PolarHBondContact OD1-N 2.75Å; N176-Q180 PolarHBondContact OD1-O 2.79Å; N176-M182 HydrophobicContact CB-CG 3.84Å; N176-M182 HydrophobicContact CB-SD 3.74Å
177K98.4Very high98.4Very high160 Ų16049.9 Ų49.970%0.69625%0.249SC*.THydrogen-bonded Turntrans-74.7-20.1-179.3-73.1-179.7178.3-176.90112Q79 Y81 G179Q79-K177 VanDerWaalsContact NE2-N 3.14Å; Y81-K177 WeakPolarHBondContact CE2-O 3.42Å; K177-G179 VanDerWaalsContact C-N 3.35Å
178E98.4Very high98.5Very high118 Ų11851 Ų5155%0.55124%0.244SC*.THydrogen-bonded Turntrans-92.5-0.2-178.5-57.867.8-146.600111.7N176 Q180N176-E178 PolarHBondContact ND2-OE2 2.96Å; N176-E178 PolarHBondContact O-N 2.75Å; N176-E178 WeakPolarHBondContact OD1-CA 3.3Å; N176-E178 WeakPolarHBondContact OD1-CB 3.44Å; N176-E178 PolarHBondContact OD1-N 3.32Å; N176-E178 PolarHBondContact OD1-OE2 3.25Å; E178-Q180 HydrophobicContact CB-CG 4.4Å
179G98.3Very high98.6Very high1 Ų153.7 Ų53.71%0.0124%0.244CC..SBendtrans84.83.4-179.200000114.7D92 G93 N176 K177D92-G179 CarbonylContact C-O 3.47Å; G93-G179 VanDerWaalsContact CA-O 3.27Å; G93-G179 WeakPolarHBondContact CA-O 3.31Å; G93-G179 PolarHBondContact N-O 2.69Å; N176-G179 PolarHBondContact OD1-N 2.83Å; K177-G179 VanDerWaalsContact C-N 3.35Å
180Q98.6Very high98.6Very high117 Ų11754.1 Ų54.155%0.54726%0.256SS..  trans-83.8143.8-177.4-54.6170-35.900111.9L175 N176 E178 M182L175-Q180 CarbonylContact C-O 3.49Å; L175-Q180 VanDerWaalsContact CA-O 3.3Å; L175-Q180 WeakPolarHBondContact CA-O 3.36Å; N176-Q180 PolarHBondContact N-O 2.75Å; N176-Q180 PolarHBondContact ND2-OE1 2.85Å; N176-Q180 PolarHBondContact OD1-N 2.75Å; N176-Q180 PolarHBondContact OD1-O 2.79Å; E178-Q180 HydrophobicContact CB-CG 4.4Å; Q180-M182 PolarHBondContact O-N 2.76Å
181A98.4Very high98.6Very high40 Ų4059.1 Ų59.133%0.33128%0.276SS..BIsolated β-bridgetrans-61.713517500000112L91 L133 L175L91-A181 HydrophobicContact CB-CB 4.33Å; L91-A181 VanDerWaalsContact O-CB 3.25Å; L91-A181 WeakPolarHBondContact O-CB 3.25Å; L133-A181 HydrophobicContact CD1-CB 4.28Å; L175-A181 HydrophobicContact CD2-CB 4.3Å
182M98.6Very high98.6Very high49 Ų4959.8 Ų59.824%0.24128%0.283CS..  trans-105.1148.6-178.2-65.9-176.17100112.1G174 N176 Q180 G184 R186 V187 A193G174-M182 PolarHBondContact O-N 2.88Å; N176-M182 HydrophobicContact CB-CG 3.84Å; N176-M182 HydrophobicContact CB-SD 3.74Å; Q180-M182 PolarHBondContact O-N 2.76Å; M182-G184 PolarHBondContact O-N 2.7Å; M182-R186 HydrophobicContact CE-CB 4.22Å; M182-V187 HydrophobicContact CB-CG2 3.5Å; M182-V187 HydrophobicContact CG-CG2 4.43Å; M182-V187 HydrophobicContact SD-CG2 4.23Å; M182-A193 HydrophobicContact SD-CB 3.89Å
183K98.6Very high98.6Very high53 Ų5359.8 Ų59.823%0.2329%0.285CS..  trans-59.6128.9167.9-160.4174.8-179.4151.70110.3E130 G131 H132 N185 R186 V187E130-K183 WeakPolarHBondContact O-CE 3.27Å; E130-K183 PolarHBondContact O-NZ 3.04Å; G131-K183 CarbonylContact O-C 3.55Å; G131-K183 WeakPolarHBondContact O-CA 3.37Å; G131-K183 WeakPolarHBondContact O-CG 3.44Å; H132-K183 PolarHBondContact CE1-NZ 2.92Å; H132-K183 PolarHBondContact NE2-NZ 3.08Å; H132-K183 VanDerWaalsContact NE2-NZ 3.19Å; K183-N185 VanDerWaalsContact C-N 3.26Å; K183-N185 WeakPolarHBondContact CD-OD1 3.44Å; K183-N185 VanDerWaalsContact CG-OD1 3.24Å; K183-N185 WeakPolarHBondContact CG-OD1 3.24Å; K183-N185 PolarHBondContact O-N 3.06Å; K183-N185 VanDerWaalsContact O-N 3.14Å; K183-R186 HydrophobicContact CB-CG 4.31Å; K183-R186 WeakPolarHBondContact O-CA 3.25Å; K183-R186 WeakPolarHBondContact O-CB 3.45Å; K183-R186 PolarHBondContact O-N 3.12Å; K183-V187 PolarHBondContact O-N 2.98Å
184G98.6Very high98.5Very high0 Ų059.7 Ų59.70%029%0.285CS..THydrogen-bonded Turntrans-61-30-168.300000114.8G131 W171 F172 M182 R186 V187G131-G184 PolarHBondContact O-N 2.71Å; W171-G184 WeakPolarHBondContact CA-O 3.34Å; F172-G184 PolarHBondContact N-O 3.01Å; F172-G184 VanDerWaalsContact N-O 3.12Å; F172-G184 VanDerWaalsContact O-CA 3.26Å; F172-G184 WeakPolarHBondContact O-CA 3.5Å; M182-G184 PolarHBondContact O-N 2.7Å; G184-R186 VanDerWaalsContact C-N 3.27Å; G184-R186 PolarHBondContact O-N 2.72Å; G184-V187 PolarHBondContact O-N 3.44Å
185N98.4Very high98.6Very high44 Ų4459.7 Ų59.724%0.23529%0.285CS..THydrogen-bonded Turntrans-70.5-21.4175.569.7-22.4000113.7R169 W171 K183R169-N185 PolarHBondContact NH1-O 3.42Å; R169-N185 PolarHBondContact NH2-O 3.4Å; R169-N185 VanDerWaalsContact NH2-O 3.07Å; W171-N185 HydrophobicContact CD2-CB 3.81Å; W171-N185 VanDerWaalsContact CE2-CB 3.43Å; W171-N185 HydrophobicContact CG-CB 4.04Å; W171-N185 HydrophobicContact CZ2-CB 3.84Å; K183-N185 VanDerWaalsContact C-N 3.26Å; K183-N185 WeakPolarHBondContact CD-OD1 3.44Å; K183-N185 VanDerWaalsContact CG-OD1 3.24Å; K183-N185 WeakPolarHBondContact CG-OD1 3.24Å; K183-N185 PolarHBondContact O-N 3.06Å; K183-N185 VanDerWaalsContact O-N 3.14Å
186R98.5Very high98.6Very high180 Ų18059.7 Ų59.768%0.67929%0.285SS*.THydrogen-bonded Turntrans-86.1-22.8175.9-61.2-178.6177.3179.7-1.7112.5M182 K183 G184M182-R186 HydrophobicContact CE-CB 4.22Å; K183-R186 HydrophobicContact CB-CG 4.31Å; K183-R186 WeakPolarHBondContact O-CA 3.25Å; K183-R186 WeakPolarHBondContact O-CB 3.45Å; K183-R186 PolarHBondContact O-N 3.12Å; G184-R186 VanDerWaalsContact C-N 3.27Å; G184-R186 PolarHBondContact O-N 2.72Å
187V98.8Very high98.5Very high1 Ų160 Ų601%0.00629%0.286CS..  trans-78.1129.6176.1-173.30000109.4F172 M182 K183 G184 A193 A194F172-V187 HydrophobicContact CB-CB 3.98Å; F172-V187 HydrophobicContact CB-CG1 3.65Å; F172-V187 WeakPolarHBondContact O-CB 3.47Å; M182-V187 HydrophobicContact CB-CG2 3.5Å; M182-V187 HydrophobicContact CG-CG2 4.43Å; M182-V187 HydrophobicContact SD-CG2 4.23Å; K183-V187 PolarHBondContact O-N 2.98Å; G184-V187 PolarHBondContact O-N 3.44Å; V187-A193 HydrophobicContact CG1-CB 4.36Å; V187-A194 HydrophobicContact CG1-CB 3.53Å
188K98.4Very high98.5Very high104 Ų10454.3 Ų54.345%0.45227%0.266SS..  trans-114.5139-178-65.2-178.3-178.9-178.30110.1T190 K191 A194K188-T190 PolarHBondContact O-N 2.96Å; K188-T190 VanDerWaalsContact O-N 3.1Å; K188-K191 HydrophobicContact CB-CB 4.19Å; K188-K191 HydrophobicContact CB-CG 3.75Å; K188-K191 HydrophobicContact CD-CG 4.34Å; K188-K191 PolarHBondContact O-N 2.77Å; K188-A194 WeakPolarHBondContact O-CB 3.21Å
189K98.4Very high98.5Very high99 Ų9952.8 Ų52.843%0.4326%0.257SS..THydrogen-bonded Turntrans-47.9-39.8178.8174.9166.2179.3-178.70114.3F150 I156 F172 K191 H195F150-K189 HydrophobicContact CD2-CD 4.41Å; F150-K189 HydrophobicContact CD2-CG 3.86Å; F150-K189 HydrophobicContact CE2-CG 4.12Å; I156-K189 HydrophobicContact CD1-CB 4.41Å; I156-K189 HydrophobicContact CD1-CD 3.78Å; I156-K189 HydrophobicContact CD1-CG 3.61Å; F172-K189 HydrophobicContact CE1-CB 4.37Å; F172-K189 HydrophobicContact CE2-CB 3.92Å; F172-K189 HydrophobicContact CZ-CB 3.68Å; F172-K189 HydrophobicContact CZ-CD 4.49Å; F172-K189 HydrophobicContact CZ-CG 4.39Å; K189-K191 VanDerWaalsContact C-N 3.33Å; K189-H195 PolarHBondContact O-NE2 3.01Å
190T98.2Very high98.4Very high93 Ų9356.9 Ų56.957%0.57128%0.284SS*.THydrogen-bonded Turntrans-89.21.2-175.754.90000113.5F150 K188F150-T190 HydrophobicContact CE2-CG2 4.04Å; F150-T190 HydrophobicContact CZ-CG2 4.12Å; K188-T190 PolarHBondContact O-N 2.96Å; K188-T190 VanDerWaalsContact O-N 3.1Å
191K98.6Very high98.4Very high115 Ų11555.5 Ų55.550%0.528%0.279SS..SBendtrans-102.6139.9-176.9-66.1-62.7-176.4-176.10110K188 K189 A193 A194 H195K188-K191 HydrophobicContact CB-CB 4.19Å; K188-K191 HydrophobicContact CB-CG 3.75Å; K188-K191 HydrophobicContact CD-CG 4.34Å; K188-K191 PolarHBondContact O-N 2.77Å; K189-K191 VanDerWaalsContact C-N 3.33Å; K191-A193 PolarHBondContact O-N 3.18Å; K191-A194 PolarHBondContact O-N 2.8Å; K191-H195 PolarHBondContact O-CD2 2.92Å; K191-H195 PolarHBondContact O-NE2 3.18Å
192P98.7Very high98.3Very high39 Ų3959.4 Ų59.425%0.25329%0.291SS..G310 helixtrans-48.6-32.3179-34.439.4000115.7R78 A194 H195R78-P192 HydrophobicContact CB-CB 4.42Å; R78-P192 HydrophobicContact CG-CB 4.17Å; P192-A194 PolarHBondContact O-N 2.87Å; P192-A194 VanDerWaalsContact O-N 3.12Å; P192-H195 WeakPolarHBondContact O-CB 3.31Å; P192-H195 PolarHBondContact O-N 3.28Å
193A98.8Very high98.2Very high11 Ų1161.3 Ų61.39%0.09131%0.305CS..G310 helixtrans-51.5-32.7175.500000114.3G174 L175 M182 V187 K191G174-A193 CarbonylContact C-O 3.6Å; G174-A193 WeakPolarHBondContact CA-O 3.5Å; L175-A193 PolarHBondContact N-O 3.28Å; L175-A193 VanDerWaalsContact O-CA 3.25Å; L175-A193 WeakPolarHBondContact O-CA 3.42Å; L175-A193 WeakPolarHBondContact O-CB 3.46Å; M182-A193 HydrophobicContact SD-CB 3.89Å; V187-A193 HydrophobicContact CG1-CB 4.36Å; K191-A193 PolarHBondContact O-N 3.18Å
194A98.8Very high98.1Very high0 Ų059.8 Ų59.80%030%0.303CS..G310 helixtrans-87.2-9.7-178.500000113.7I156 F172 V187 K188 K191 P192 F196I156-A194 HydrophobicContact CG2-CB 4.38Å; I156-A194 WeakPolarHBondContact CG2-O 3.34Å; F172-A194 HydrophobicContact CB-CB 4.35Å; V187-A194 HydrophobicContact CG1-CB 3.53Å; K188-A194 WeakPolarHBondContact O-CB 3.21Å; K191-A194 PolarHBondContact O-N 2.8Å; P192-A194 PolarHBondContact O-N 2.87Å; P192-A194 VanDerWaalsContact O-N 3.12Å; A194-F196 WeakPolarHBondContact O-CD2 3.2Å
195H98.9Very high97.9Very high0 Ų064.8 Ų64.80%033%0.327CS..  trans-95.1117.5-165.2-65.2-170000110.3C77 R78 F150 Y154 K189 K191 P192C77-H195 CarbonylContact C-O 3.54Å; C77-H195 WeakPolarHBondContact CA-O 3.32Å; R78-H195 HydrophobicContact CB-CB 3.79Å; R78-H195 PolarHBondContact N-O 3.34Å; R78-H195 PolarHBondContact NH1-ND1 2.87Å; F150-H195 AromaticContact CD1-CE1 3.31Å; F150-H195 WeakPolarHBondContact CD1-CE1 3.37Å; F150-H195 AromaticContact CD1-NE2 3.42Å; F150-H195 WeakPolarHBondContact CD1-NE2 3.41Å; F150-H195 AromaticContact CE1-CE1 3.3Å; F150-H195 WeakPolarHBondContact CE1-CE1 3.46Å; F150-H195 AromaticContact CE1-NE2 3.55Å; Y154-H195 HydrophobicContact CD1-CB 3.7Å; Y154-H195 HydrophobicContact CD2-CB 4.08Å; Y154-H195 AromaticContact CD2-CG 3.86Å; Y154-H195 AromaticContact CD2-ND1 3.26Å; Y154-H195 VanDerWaalsContact CD2-ND1 3.26Å; Y154-H195 WeakPolarHBondContact CD2-ND1 3.5Å; Y154-H195 HydrophobicContact CE1-CB 4.27Å; Y154-H195 AromaticContact CE2-ND1 3.58Å; Y154-H195 HydrophobicContact CG-CB 3.59Å; Y154-H195 AromaticContact CG-CG 3.83Å; Y154-H195 AromaticContact CG-ND1 3.73Å; K189-H195 PolarHBondContact O-NE2 3.01Å; K191-H195 PolarHBondContact O-CD2 2.92Å; K191-H195 PolarHBondContact O-NE2 3.18Å; P192-H195 WeakPolarHBondContact O-CB 3.31Å; P192-H195 PolarHBondContact O-N 3.28Å
196F98.9Very high97.8Very high0 Ų064.1 Ų64.10%032%0.322CS..EExtended strand (participates in β ladder)trans-118149177-66-94.6000111.2L75 Y76 C77 L83 V155 Y157 L173 L175 A194L75-F196 HydrophobicContact CB-CD1 4.05Å; Y76-F196 CarbonylContact O-C 3.56Å; Y76-F196 WeakPolarHBondContact O-CA 3.48Å; C77-F196 HydrophobicContact CB-CD1 3.9Å; C77-F196 HydrophobicContact CB-CE1 3.63Å; C77-F196 HydrophobicContact CB-CZ 4.25Å; L83-F196 HydrophobicContact CB-CE1 4.46Å; V155-F196 PolarHBondContact N-O 3.25Å; V155-F196 PolarHBondContact O-N 2.8Å; Y157-F196 HydrophobicContact CD2-CD2 4.22Å; Y157-F196 HydrophobicContact CE2-CB 4.09Å; Y157-F196 HydrophobicContact CE2-CD2 4.5Å; Y157-F196 HydrophobicContact CE2-CG 4.41Å; L173-F196 HydrophobicContact CD2-CE2 4.43Å; L173-F196 HydrophobicContact CD2-CZ 4.37Å; L173-F196 HydrophobicContact CG-CE2 4.05Å; L173-F196 HydrophobicContact CG-CZ 3.99Å; L175-F196 HydrophobicContact CG-CZ 4.49Å; A194-F196 WeakPolarHBondContact O-CD2 3.2Å
197L98.5Very high97.6Very high36 Ų3664.1 Ų64.119%0.18832%0.322CS..EExtended strand (participates in β ladder)trans-113.6106.7168.4-66.9174.7000107.6Y76 Y153 Y154 K199Y76-L197 PolarHBondContact N-O 3.47Å; Y76-L197 PolarHBondContact O-N 3.33Å; Y153-L197 HydrophobicContact CD1-CD2 4.13Å; Y153-L197 HydrophobicContact CE1-CD1 4.01Å; Y153-L197 HydrophobicContact CE1-CD2 3.79Å; Y153-L197 HydrophobicContact CE1-CG 4.42Å; Y153-L197 HydrophobicContact CE2-CD2 4.39Å; Y153-L197 WeakPolarHBondContact O-CD2 3.5Å; Y154-L197 HydrophobicContact CD1-CD2 3.78Å; Y154-L197 HydrophobicContact CD1-CG 3.95Å; Y154-L197 HydrophobicContact CE1-CD1 4.25Å; Y154-L197 HydrophobicContact CE1-CD2 4.14Å; Y154-L197 HydrophobicContact CE1-CG 4.07Å; L197-K199 PolarHBondContact O-N 3.25Å
198P97.9Very high97.3Very high41 Ų4169.2 Ų69.227%0.26635%0.345SS..EExtended strand (participates in β ladder)trans-60.6130.5168.2-20.833.5000109.4R74 L75 V155 P200R74-P198 WeakPolarHBondContact O-CA 3.48Å; L75-P198 HydrophobicContact CD2-CB 4.17Å; L75-P198 HydrophobicContact CD2-CG 4.15Å; V155-P198 HydrophobicContact CB-CG 4.25Å; V155-P198 HydrophobicContact CG2-CG 3.9Å; P198-P200 WeakPolarHBondContact O-CD 3.18Å
199K97.7Very high97.1Very high86 Ų8665.1 Ų65.137%0.37433%0.329SS..EExtended strand (participates in β ladder)trans-112.387.9168.9-59.3-164.6-172.3178.10107.6T73 R74 Y82 L197 L201T73-K199 WeakPolarHBondContact CA-O 3.44Å; T73-K199 PolarHBondContact OG1-N 3.32Å; T73-K199 PolarHBondContact OG1-O 3.38Å; R74-K199 HydrophobicContact CB-CB 4.41Å; R74-K199 PolarHBondContact N-O 3.38Å; R74-K199 PolarHBondContact O-N 3.11Å; Y82-K199 HydrophobicContact CE1-CD 3.97Å; Y82-K199 PolarHBondContact OH-NZ 3.32Å; L197-K199 PolarHBondContact O-N 3.25Å; K199-L201 WeakPolarHBondContact O-CD1 3.36Å
200P97.3Very high96.9Very high87 Ų8764.5 Ų64.557%0.56534%0.338SS*.EExtended strand (participates in β ladder)trans-63.4141.1-178-20.733.5000111I71 P198I71-P200 HydrophobicContact CD1-CB 4.2Å; I71-P200 HydrophobicContact CD1-CG 4.1Å; P198-P200 WeakPolarHBondContact O-CD 3.18Å
201L96.7Very high96.8Very high87 Ų8764.9 Ų64.946%0.45534%0.336SS..EExtended strand (participates in β ladder)trans-102-53.3171.6-78.273.2000109.8V72 R74 L103 K199V72-L201 PolarHBondContact O-N 2.95Å; R74-L201 HydrophobicContact CG-CD1 4.23Å; L103-L201 HydrophobicContact CD2-CD1 4.09Å; L103-L201 HydrophobicContact CD2-CD2 3.62Å; K199-L201 WeakPolarHBondContact O-CD1 3.36Å
202E96.2Very high96.7Very high123 Ų12362.4 Ų62.458%0.57533%0.326SS*.EExtended strand (participates in β ladder)trans-150.5163.3-177.762.4177.3-172.200112.2I71 V72I71-E202 CarbonylContact C-O 3.55Å; I71-E202 VanDerWaalsContact CA-O 3.31Å; I71-E202 WeakPolarHBondContact CA-O 3.34Å; I71-E202 WeakPolarHBondContact CB-O 3.48Å; V72-E202 HydrophobicContact CB-CG 3.89Å; V72-E202 HydrophobicContact CG2-CG 3.99Å; V72-E202 PolarHBondContact N-O 3.3Å; V72-E202 PolarHBondContact O-N 3Å
203V97.5Very high96.4Very high88 Ų8866.3 Ų66.353%0.53334%0.344SS..EExtended strand (participates in β ladder)trans-93.3134.7172.9174.20000108.3K69 I71K69-V203 HydrophobicContact CD-CG1 4.23Å; K69-V203 HydrophobicContact CG-CG1 3.78Å; I71-V203 HydrophobicContact CG2-CG2 4.27Å
204A95.8Very high95.7Very high22 Ų2268.3 Ų68.318%0.18236%0.356CS..EExtended strand (participates in β ladder)trans-133.6149.9-179.500000111.6G70 V72 Y206G70-A204 PolarHBondContact N-O 2.6Å; G70-A204 PolarHBondContact O-N 3.18Å; V72-A204 HydrophobicContact CG2-CB 4.34Å; A204-Y206 HydrophobicContact CB-CD2 4.48Å; A204-Y206 HydrophobicContact CB-CE1 4.37Å; A204-Y206 HydrophobicContact CB-CE2 3.65Å; A204-Y206 WeakPolarHBondContact O-CD2 3.06Å; A204-Y206 WeakPolarHBondContact O-CE2 3.35Å
205M96Very high94.5Very high105 Ų10571.5 Ų71.552%0.51739%0.388SS..EExtended strand (participates in β ladder)trans-96.3123.9174.5-59.8-57.5-62.900108.9Q67 L68 K69Q67-M205 HydrophobicContact CB-CB 4.44Å; Q67-M205 HydrophobicContact CB-CE 3.45Å; Q67-M205 VanDerWaalsContact CB-CE 3.45Å; L68-M205 WeakPolarHBondContact O-CA 3.36Å; K69-M205 HydrophobicContact CB-CE 4.33Å; K69-M205 HydrophobicContact CB-SD 3.96Å; K69-M205 HydrophobicContact CG-SD 4.01Å
206Y95.4Very high92.8Very high30 Ų3077 Ų7712%0.11841%0.414CS..EExtended strand (participates in β ladder)trans-113.9144.7-179.5-59.3-83.9000109.8Q67 L68 I71 V72 N105 I107 A204Q67-Y206 CarbonylContact C-O 3.49Å; Q67-Y206 WeakPolarHBondContact CA-O 3.46Å; L68-Y206 PolarHBondContact N-O 2.97Å; L68-Y206 PolarHBondContact O-N 2.89Å; I71-Y206 PolarHBondContact O-OH 3.1Å; V72-Y206 WeakPolarHBondContact CG2-OH 3.39Å; N105-Y206 HydrophobicContact CB-CE1 3.68Å; N105-Y206 WeakPolarHBondContact CB-OH 3.48Å; N105-Y206 VanDerWaalsContact CG-CE1 3.42Å; N105-Y206 VanDerWaalsContact CG-OH 3.31Å; N105-Y206 WeakPolarHBondContact OD1-CE1 3.25Å; N105-Y206 PolarHBondContact OD1-OH 2.85Å; I107-Y206 HydrophobicContact CD1-CD1 3.9Å; I107-Y206 HydrophobicContact CD1-CE1 4.37Å; I107-Y206 HydrophobicContact CD1-CG 4.1Å; I107-Y206 HydrophobicContact CG1-CD1 4Å; I107-Y206 HydrophobicContact CG1-CD2 4.02Å; I107-Y206 HydrophobicContact CG1-CE1 4.26Å; I107-Y206 HydrophobicContact CG1-CE2 4.27Å; I107-Y206 HydrophobicContact CG1-CG 3.87Å; I107-Y206 HydrophobicContact CG2-CD2 4.44Å; I107-Y206 HydrophobicContact CG2-CG 4.29Å; A204-Y206 HydrophobicContact CB-CD2 4.48Å; A204-Y206 HydrophobicContact CB-CE1 4.37Å; A204-Y206 HydrophobicContact CB-CE2 3.65Å; A204-Y206 WeakPolarHBondContact O-CD2 3.06Å; A204-Y206 WeakPolarHBondContact O-CE2 3.35Å
207R94.3Very high90.7Very high180 Ų18079.3 Ų79.368%0.67943%0.428SS*.EExtended strand (participates in β ladder)trans-68.6144.4163.3-171.1176.6-176.7169.95.1108.9D65 P209D65-R207 IonicContact OD2-CZ 3.48Å; D65-R207 IonicContact OD2-NH2 3.91Å; R207-P209 VanDerWaalsContact O-CD 3.29Å; R207-P209 WeakPolarHBondContact O-CD 3.2Å
208E92.9Very high88.3Confident107 Ų10782.8 Ų82.850%0.545%0.451SS..PPolyproline II helixtrans-57.4121.7170.3-173.8168.4-16800110.8L68L68-E208 HydrophobicContact CD1-CB 4.02Å; L68-E208 HydrophobicContact CD1-CG 4.17Å; L68-E208 HydrophobicContact CG-CB 4.34Å
209P94.7Very high85.8Confident18 Ų1886.4 Ų86.412%0.11747%0.474CS..PPolyproline II helixtrans-66.5134.9178.7-21.733.9000111.6I107 V109 F139 R207 L211I107-P209 HydrophobicContact CG2-CG 4.47Å; V109-P209 HydrophobicContact CG1-CG 4.47Å; F139-P209 HydrophobicContact CB-CB 3.76Å; F139-P209 HydrophobicContact CD1-CB 3.58Å; F139-P209 HydrophobicContact CD2-CB 4.33Å; F139-P209 HydrophobicContact CE1-CB 4.21Å; F139-P209 HydrophobicContact CG-CB 3.63Å; F139-P209 HydrophobicContact CG-CG 4.49Å; R207-P209 VanDerWaalsContact O-CD 3.29Å; R207-P209 WeakPolarHBondContact O-CD 3.2Å; P209-L211 PolarHBondContact O-N 3.16Å
210S94Very high83Confident87 Ų8792 Ų9261%0.60850%0.498SS*.PPolyproline II helixtrans-66.9124.1175.3-57.50000110.6H212S210-H212 PolarHBondContact O-CE1 2.78Å; S210-H212 PolarHBondContact O-ND1 3.11Å
211L95.8Very high80.2Confident101 Ų10191.6 Ų91.653%0.52950%0.503SS..PPolyproline II helixtrans-77.9125.7178.7-174.165.6000110.8F139 P209F139-L211 HydrophobicContact CD1-CB 4.48Å; F139-L211 HydrophobicContact CD1-CD1 4.08Å; F139-L211 HydrophobicContact CE1-CD1 3.98Å; F139-L211 WeakPolarHBondContact O-CA 3.29Å; P209-L211 PolarHBondContact O-N 3.16Å
212H96.1Very high77.5Confident62 Ų6292.4 Ų92.429%0.28752%0.522SS..BIsolated β-bridgetrans-113.9159.9176.7-62.375.4000111.3L138 F139 T140 S210 E216L138-H212 HydrophobicContact CB-CB 4.22Å; L138-H212 HydrophobicContact CD1-CB 4.31Å; F139-H212 PolarHBondContact O-N 3.44Å; T140-H212 HydrophobicContact CG2-CB 4.4Å; S210-H212 PolarHBondContact O-CE1 2.78Å; S210-H212 PolarHBondContact O-ND1 3.11Å; H212-E216 IonicContact CD2-OE2 3.84Å; H212-E216 PolarHBondContact CD2-OE2 2.7Å; H212-E216 IonicContact CG-OE2 3.94Å
213D92.7Very high75Confident121 Ų12192.4 Ų92.465%0.64753%0.53SS*.  trans-77145.1174.4-75.1-31.4000111G215 E216D213-G215 PolarHBondContact O-N 3.47Å; D213-G215 VanDerWaalsContact O-N 3.17Å; D213-E216 HydrophobicContact CB-CG 4.34Å; D213-E216 PolarHBondContact O-N 2.94Å; D213-E216 VanDerWaalsContact O-N 3.14Å
214V83.8Confident72.4Confident54 Ų5493.1 Ų93.133%0.32754%0.536SS..G310 helixtrans-62-27-176.1-177.90000112.1E142 E216 T217E142-V214 HydrophobicContact CG-CG1 4.27Å; E142-V214 HydrophobicContact CG-CG2 3.88Å; V214-E216 VanDerWaalsContact C-N 3.3Å; V214-E216 PolarHBondContact O-N 3.17Å; V214-T217 PolarHBondContact O-OG1 2.92Å
215G73.2Confident69.6Low66 Ų6698.2 Ų98.268%0.6857%0.567SS**G310 helixtrans-74.8-13.1179.300000115.1D213 T217D213-G215 PolarHBondContact O-N 3.47Å; D213-G215 VanDerWaalsContact O-N 3.17Å; G215-T217 VanDerWaalsContact C-N 3.3Å
216E63.4Low66.9Low115 Ų11598.3 Ų98.354%0.53758%0.579SS.*G310 helixtrans-81.6-9.4-178.5-64-175.815400112.9L138 H212 D213 V214 V218L138-E216 HydrophobicContact CD1-CB 4.37Å; H212-E216 IonicContact CD2-OE2 3.84Å; H212-E216 PolarHBondContact CD2-OE2 2.7Å; H212-E216 IonicContact CG-OE2 3.94Å; D213-E216 HydrophobicContact CB-CG 4.34Å; D213-E216 PolarHBondContact O-N 2.94Å; D213-E216 VanDerWaalsContact O-N 3.14Å; V214-E216 VanDerWaalsContact C-N 3.3Å; V214-E216 PolarHBondContact O-N 3.17Å; E216-V218 VanDerWaalsContact C-N 3.29Å; E216-V218 PolarHBondContact O-N 3.32Å
217T55.8Low64.1Low50 Ų50106.7 Ų106.731%0.30762%0.616SS.*G310 helixtrans-84.13.9-176.163.30000114.2L138 T140 V214 G215 P219L138-T217 HydrophobicContact CB-CG2 4.4Å; L138-T217 HydrophobicContact CD1-CG2 4.45Å; T140-T217 HydrophobicContact CG2-CG2 3.86Å; V214-T217 PolarHBondContact O-OG1 2.92Å; G215-T217 VanDerWaalsContact C-N 3.3Å; T217-P219 WeakPolarHBondContact O-CD 3.07Å
218V46.7Very low61.2Low109 Ų109103.7 Ų103.766%0.66162%0.622SS**SBendtrans-89.4115175-173.90000108.3E216 K220E216-V218 VanDerWaalsContact C-N 3.29Å; E216-V218 PolarHBondContact O-N 3.32Å; V218-K220 PolarHBondContact O-N 2.94Å
219P46.7Very low58.7Low116 Ų116105 Ų10575%0.75364%0.638SS**  trans-57.7115.7167.3-17.129.6000107.7T217 A221T217-P219 WeakPolarHBondContact O-CD 3.07Å; P219-A221 VanDerWaalsContact C-N 3.32Å; P219-A221 PolarHBondContact O-N 2.86Å
220K37.5Very low56Low203 Ų203109.1 Ų109.188%0.88367%0.667SS**  trans-62.299.8170.4-163.8175.7-173.5176.40106.3V218 A222V218-K220 PolarHBondContact O-N 2.94Å; K220-A222 PolarHBondContact O-N 3.1Å; K220-A222 VanDerWaalsContact O-N 3.1Å
221A39.6Very low53.2Low80 Ų80113.5 Ų113.566%0.66168%0.678SS**  trans-50.4122.9168.700000107P219 V223P219-A221 VanDerWaalsContact C-N 3.32Å; P219-A221 PolarHBondContact O-N 2.86Å; A221-V223 VanDerWaalsContact C-N 3.31Å; A221-V223 PolarHBondContact O-N 2.82Å
222A40.1Very low50.9Low103 Ų103113.6 Ų113.685%0.85168%0.684SS**  trans-62.894.3179.200000108.8K220K220-A222 PolarHBondContact O-N 3.1Å; K220-A222 VanDerWaalsContact O-N 3.1Å
223V42.8Very low48Very low124 Ų124116.4 Ų116.475%0.75271%0.706SS**  trans-77.5120.3164.8-1770000106.1A221A221-V223 VanDerWaalsContact C-N 3.31Å; A221-V223 PolarHBondContact O-N 2.82Å
224P42.9Very low45.7Very low103 Ų103117.3 Ų117.367%0.66972%0.715SS**  trans-64.6144.6173.627.2-31.6000109.3S226P224-S226 PolarHBondContact O-N 3.03Å
225P37.2Very low43.5Very low128 Ų128122.6 Ų122.683%0.83174%0.738SS**  trans-70.2107.7-173.927.6-32.1000110.2K227P225-K227 PolarHBondContact O-N 3.22Å
226S38.5Very low42Very low108 Ų108127.3 Ų127.376%0.75575%0.748SS**  trans-67.1109.6160.738.40000108.3P224 S228P224-S226 PolarHBondContact O-N 3.03Å; S226-S228 PolarHBondContact O-N 3.15Å; S226-S228 VanDerWaalsContact O-N 3.15Å
227K36.5Very low40.5Very low206 Ų206125.7 Ų125.790%0.89676%0.762SS**  trans-62.9109.2166.9-81.2179.2175.1177.20108.7P225P225-K227 PolarHBondContact O-N 3.22Å
228S34.3Very low39.5Very low117 Ų117127.1 Ų127.182%0.81879%0.787SS**  trans-99.4115.815744.70000108.4S226S226-S228 PolarHBondContact O-N 3.15Å; S226-S228 VanDerWaalsContact O-N 3.15Å
229T41Very low39.1Very low135 Ų135130.9 Ų130.983%0.82879%0.794SS**  trans-109.7130.5163-56.60000107.7
230S36.6Very low39Very low104 Ų104131.6 Ų131.673%0.72780%0.799SS**  trans-66134.5-175.847.20000115.8
231E37.2Very low39Very low178 Ų178127.1 Ų127.183%0.83279%0.789SS**  trans37.2164.5131.5-68.3-157-175.500122.7
232P46.7Very low39.1Very low103 Ų103129.2 Ų129.267%0.66980%0.798SS**  cis-139.2170.210.829.2-4.3000118.4
233V35.2Very low39.2Very low121 Ų121133.1 Ų133.173%0.73380%0.796SS**  trans18.1117.3140.8-172.90000119.2
234V44.1Very low39.6Very low140 Ų140132 Ų13285%0.84879%0.792SS**  trans-133.2111.3149.9-168.90000108.8
235M38.1Very low39.4Very low165 Ų165134.8 Ų134.881%0.81380%0.8SS**  trans-74.4135.3164.2-73.8-105.4-141.700108.8
236N40.6Very low40.2Very low165 Ų165138.1 Ų138.188%0.88280%0.802SS**  trans-163.1123.9137.6-105.2-38.2000111.6
237G33.6Very low40.7Very low81 Ų81138.5 Ų138.584%0.83580%0.802SS**  trans-77.4152.817900000112.6
238G33.9Very low40.9Very low80 Ų80133.2 Ų133.283%0.82580%0.797SS**  trans-167.891.5170.100000110.2
239K38.5Very low41.7Very low188 Ų188137.7 Ų137.782%0.81782%0.82SS**  trans-88147.1155.7-115178-178175.40106.8
240P45Very low41.7Very low131 Ų131137.9 Ų137.985%0.85182%0.819SS**  -139.5165.7100.830.4-12.8000114.3
241V36.7Very low42Very low110 Ų110139.6 Ų139.667%0.66782%0.824SS**  trans-84.3143.5-174165.80000110.9
242S40.8Very low42.2Very low123 Ų123137.5 Ų137.586%0.8682%0.823SS**  trans-152.3122.113847.90000110.7
243K43.2Very low42Very low185 Ų185139.5 Ų139.580%0.80483%0.833SS**  trans-82.6-168.3166.5-65.5176.9171175.10108.9
244P50.2Low42.4Very low102 Ų102140.7 Ų140.766%0.66284%0.839SS**  -119.5178.8-70.334.5-18.1000109.2
245D39.9Very low42.3Very low160 Ų160140.7 Ų140.786%0.85684%0.838SS**  -169.1134.7128.7-89.5-24.1000110.5
246K54.3Low42.6Very low198 Ų198139 Ų13986%0.86184%0.84SS**  trans-108.8179.5168.2-100.6-171.4-179.1-1750105.9
247P47.7Very low42.7Very low116 Ų116137 Ų13775%0.75384%0.837SS**  cis-135179.1-35.535.6-18000111.4
248A42.4Very low43.5Very low95 Ų95141.7 Ų141.779%0.78584%0.837SS**  trans164.8131.6149.400000106.5
249T49.3Very low44.4Very low212 Ų212147.3 Ų147.3100%1.30184%0.838SS**  cis-152.40-0.5-48.70000105.5

Retrieved 249 of 249 residues in 422.8 ms (Link to these results)