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Translocon-associated protein subunit alpha

TRAP proteins are part of a complex whose function is to bind calcium to the ER membrane and thereby regulate the retention of ER resident proteins. May be involved in the recycling of the translocation apparatus after completion of the translocation process or may function as a membrane-bound chaperone facilitating folding of translocated proteins.

AlphaFold DB , UniProt , Accession A0A060WLD5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ssr1, Length 298 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
1M48.4Very low64.6Low231 Ų231133 Ų133100%1.13868%0.679SS**  0-5.30-119.1169.5-175.600114.8
2M54.7Low65.5Low168 Ų168129.3 Ų129.383%0.82867%0.667SS**  trans-1099.1-174.9-70.5-172.617000116.1P6M2-P6 WeakPolarHBondContact O-CD 3.35Å
3T58.4Low66.2Low102 Ų102128.6 Ų128.663%0.62666%0.664SS**SBendtrans-86.2-11.1177.348.80000113.8
4F58.8Low66.5Low155 Ų155128.4 Ų128.468%0.6866%0.664SS**SBendtrans-92.3-24.5178.6-76.6-86.1000113.2K7 L8F4-K7 PolarHBondContact O-N 3.25Å; F4-L8 WeakPolarHBondContact O-CB 3.26Å; F4-L8 PolarHBondContact O-N 3.39Å
5L65.3Low66.8Low121 Ų121122.4 Ų122.463%0.63464%0.64SS**Hα-helixtrans-59.5-45.8178.1-140.781.7000113.8K7 L8 L9L5-K7 VanDerWaalsContact C-N 3.31Å; L5-K7 PolarHBondContact O-N 3.3Å; L5-L8 PolarHBondContact O-N 2.76Å; L5-L9 WeakPolarHBondContact O-CB 3.45Å; L5-L9 PolarHBondContact O-N 3.4Å
6P67.5Low66.7Low81 Ų81123.3 Ų123.353%0.52664%0.638SS.*Hα-helixtrans-68.6-31.1178.425.3-33.4000112.3M2 L10M2-P6 WeakPolarHBondContact O-CD 3.35Å; P6-L10 WeakPolarHBondContact O-CB 3.28Å; P6-L10 PolarHBondContact O-N 2.85Å
7K69.3Low66.6Low148 Ų148119.8 Ų119.864%0.64363%0.625SS**Hα-helixtrans-72.2-38.4176.5-67.5-179.4176.5-179.10111.9F4 L5 L11F4-K7 PolarHBondContact O-N 3.25Å; L5-K7 VanDerWaalsContact C-N 3.31Å; L5-K7 PolarHBondContact O-N 3.3Å; K7-L11 WeakPolarHBondContact O-CB 3.4Å; K7-L11 PolarHBondContact O-N 3.04Å
8L72.3Confident66.5Low112 Ų112115.9 Ų115.959%0.58661%0.613SS**Hα-helixtrans-65.5-41.7173.8-167.193.7000111.1F4 L5 L11 V12F4-L8 WeakPolarHBondContact O-CB 3.26Å; F4-L8 PolarHBondContact O-N 3.39Å; L5-L8 PolarHBondContact O-N 2.76Å; L8-L11 PolarHBondContact O-N 2.86Å; L8-V12 VanDerWaalsContact O-CG2 3.23Å; L8-V12 WeakPolarHBondContact O-CG2 3.43Å; L8-V12 PolarHBondContact O-N 3.27Å
9L71.6Confident66.3Low113 Ų113114.2 Ų114.259%0.59261%0.607SS**Hα-helixtrans-66.1-38.9178.5-167.1149.6000111.6L5 V12 L13L5-L9 WeakPolarHBondContact O-CB 3.45Å; L5-L9 PolarHBondContact O-N 3.4Å; L9-V12 PolarHBondContact O-N 3.29Å; L9-L13 VanDerWaalsContact O-CB 3.25Å; L9-L13 WeakPolarHBondContact O-CB 3.5Å; L9-L13 PolarHBondContact O-N 2.91Å
10L72.6Confident66.1Low112 Ų112113.7 Ų113.759%0.58660%0.604SS**Hα-helixtrans-65.8-38.5174.6-140.2165.2000111.6P6 L13 L14P6-L10 WeakPolarHBondContact O-CB 3.28Å; P6-L10 PolarHBondContact O-N 2.85Å; L10-L13 PolarHBondContact O-N 3.07Å; L10-L14 WeakPolarHBondContact O-CB 3.03Å; L10-L14 PolarHBondContact O-N 2.83Å
11L72.3Confident65.7Low120 Ų120114.8 Ų114.863%0.62861%0.608SS**Hα-helixtrans-67.8-41176.7-148.3164.4000111.3K7 L8 L14 A15K7-L11 WeakPolarHBondContact O-CB 3.4Å; K7-L11 PolarHBondContact O-N 3.04Å; L8-L11 PolarHBondContact O-N 2.86Å; L11-L14 PolarHBondContact O-N 3.23Å; L11-A15 WeakPolarHBondContact O-CB 3.13Å; L11-A15 PolarHBondContact O-N 2.88Å
12V74.9Confident66.1Low88 Ų88111.7 Ų111.753%0.53359%0.593SS.*Hα-helixtrans-66.6-40.5175.3172.40000111.3L8 L9 L14 A15 F16L8-V12 VanDerWaalsContact O-CG2 3.23Å; L8-V12 WeakPolarHBondContact O-CG2 3.43Å; L8-V12 PolarHBondContact O-N 3.27Å; L9-V12 PolarHBondContact O-N 3.29Å; V12-L14 VanDerWaalsContact C-N 3.3Å; V12-L14 PolarHBondContact O-N 2.64Å; V12-A15 PolarHBondContact O-N 3.13Å; V12-F16 VanDerWaalsContact O-CB 3.29Å; V12-F16 WeakPolarHBondContact O-CB 3.49Å; V12-F16 PolarHBondContact O-N 3.44Å
13L74.6Confident65.7Low121 Ų121112.8 Ų112.863%0.63459%0.593SS**Hα-helixtrans-69.7-27.9180-163124.7000112.7L9 L10 P17L9-L13 VanDerWaalsContact O-CB 3.25Å; L9-L13 WeakPolarHBondContact O-CB 3.5Å; L9-L13 PolarHBondContact O-N 2.91Å; L10-L13 PolarHBondContact O-N 3.07Å; L13-P17 WeakPolarHBondContact O-CD 3.47Å
14L70.9Confident65.3Low126 Ų126109.9 Ų109.966%0.6658%0.584SS**Hα-helixtrans-86.2-32.1175-162.5143.1000112.4L10 L11 V12 P17L10-L14 WeakPolarHBondContact O-CB 3.03Å; L10-L14 PolarHBondContact O-N 2.83Å; L11-L14 PolarHBondContact O-N 3.23Å; V12-L14 VanDerWaalsContact C-N 3.3Å; V12-L14 PolarHBondContact O-N 2.64Å; L14-P17 WeakPolarHBondContact O-CD 3.2Å; L14-P17 WeakPolarHBondContact O-CG 3.5Å
15A70.2Confident64.4Low38 Ų38108.4 Ų108.431%0.31459%0.59SS.*Hα-helixtrans-78.4-30.4177.900000113.5L11 V12 A18 T19L11-A15 WeakPolarHBondContact O-CB 3.13Å; L11-A15 PolarHBondContact O-N 2.88Å; V12-A15 PolarHBondContact O-N 3.13Å; A15-A18 PolarHBondContact O-N 3.32Å; A15-T19 WeakPolarHBondContact O-CG2 3.16Å; A15-T19 PolarHBondContact O-N 3.13Å; A15-T19 PolarHBondContact O-OG1 2.88Å
16F65.6Low63.2Low137 Ų137110.9 Ų110.960%0.60160%0.603SS**Hα-helixtrans-57.8-49.1-179.2-168-103.4000113.8V12 A18 T19 I20V12-F16 VanDerWaalsContact O-CB 3.29Å; V12-F16 WeakPolarHBondContact O-CB 3.49Å; V12-F16 PolarHBondContact O-N 3.44Å; F16-A18 PolarHBondContact O-N 2.97Å; F16-T19 PolarHBondContact O-N 3.01Å; F16-T19 PolarHBondContact O-OG1 3.25Å; F16-I20 HydrophobicContact CD1-CD1 4.09Å; F16-I20 HydrophobicContact CE1-CD1 3.76Å; F16-I20 HydrophobicContact CZ-CD1 4.11Å
17P64.6Low61.8Low63 Ų63113.1 Ų113.141%0.40962%0.615SS.*Hα-helixtrans-67.1-36175.626.1-33.9000112.6L13 L14 T19 I20 I21L13-P17 WeakPolarHBondContact O-CD 3.47Å; L14-P17 WeakPolarHBondContact O-CD 3.2Å; L14-P17 WeakPolarHBondContact O-CG 3.5Å; P17-T19 VanDerWaalsContact C-N 3.32Å; P17-T19 PolarHBondContact O-N 2.8Å; P17-I20 PolarHBondContact O-N 2.92Å; P17-I21 WeakPolarHBondContact O-CG1 3.48Å; P17-I21 PolarHBondContact O-N 3.43Å
18A64.6Low60.5Low51 Ų51110.3 Ų110.342%0.42162%0.619SS.*Hα-helixtrans-63.5-35.8179.300000112.8A15 F16 I20 M22A15-A18 PolarHBondContact O-N 3.32Å; F16-A18 PolarHBondContact O-N 2.97Å; A18-I20 VanDerWaalsContact C-N 3.31Å; A18-I20 PolarHBondContact O-N 2.78Å; A18-M22 PolarHBondContact O-N 3.43Å
19T64Low58.7Low82 Ų82109.9 Ų109.950%0.50363%0.632SS.*Hα-helixtrans-74.5-18.4177.858.70000114.4A15 F16 P17A15-T19 WeakPolarHBondContact O-CG2 3.16Å; A15-T19 PolarHBondContact O-N 3.13Å; A15-T19 PolarHBondContact O-OG1 2.88Å; F16-T19 PolarHBondContact O-N 3.01Å; F16-T19 PolarHBondContact O-OG1 3.25Å; P17-T19 VanDerWaalsContact C-N 3.32Å; P17-T19 PolarHBondContact O-N 2.8Å
20I60.7Low56.9Low104 Ų104113 Ų11353%0.53364%0.644SS.*Hα-helixtrans-85.2-36175.9-65.2168.3000109.9F16 P17 A18 M22 K23F16-I20 HydrophobicContact CD1-CD1 4.09Å; F16-I20 HydrophobicContact CE1-CD1 3.76Å; F16-I20 HydrophobicContact CZ-CD1 4.11Å; P17-I20 PolarHBondContact O-N 2.92Å; A18-I20 VanDerWaalsContact C-N 3.31Å; A18-I20 PolarHBondContact O-N 2.78Å; I20-M22 VanDerWaalsContact C-N 3.34Å; I20-M22 PolarHBondContact O-N 2.84Å; I20-K23 PolarHBondContact O-N 2.79Å
21I59.4Low55Low137 Ų137115.1 Ų115.170%0.70366%0.655SS**Hα-helixtrans-67-33.1175.2-64.5164000111.7P17 K23P17-I21 WeakPolarHBondContact O-CG1 3.48Å; P17-I21 PolarHBondContact O-N 3.43Å; I21-K23 VanDerWaalsContact C-N 3.26Å; I21-K23 PolarHBondContact O-N 3Å
22M55.3Low53Low166 Ų166113.1 Ų113.182%0.81866%0.656SS**THydrogen-bonded Turntrans-76.3-2177.6-93.5-174.4165.600115.4A18 I20A18-M22 PolarHBondContact O-N 3.43Å; I20-M22 VanDerWaalsContact C-N 3.34Å; I20-M22 PolarHBondContact O-N 2.84Å
23K46.6Very low50.9Low191 Ų191115.4 Ų115.483%0.8367%0.67SS**THydrogen-bonded Turntrans-10023176.5-76.1-173176.2-179.30113.7I20 I21I20-K23 PolarHBondContact O-N 2.79Å; I21-K23 VanDerWaalsContact C-N 3.26Å; I21-K23 PolarHBondContact O-N 3Å
24G49.9Very low49.1Very low41 Ų41118.5 Ų118.542%0.42368%0.681SS.*SBendtrans-86.2154.215900000110.8L26G24-L26 PolarHBondContact O-N 2.93Å
25P39.6Very low47.3Very low125 Ų125120.5 Ų120.581%0.81269%0.693SS**  trans-6212218026.1-30.6000109.8V27P25-V27 PolarHBondContact O-N 3.27Å
26L39.9Very low45.9Very low172 Ų172127.6 Ų127.690%0.90172%0.72SS**  trans-62.699.2170.6-90.5144.3000108.9G24 A28G24-L26 PolarHBondContact O-N 2.93Å; L26-A28 PolarHBondContact O-N 2.85Å
27V39.5Very low44.3Very low129 Ų129130.5 Ų130.578%0.78274%0.735SS**  trans-81.7106.1159.8176.90000106.4P25 A29P25-V27 PolarHBondContact O-N 3.27Å; V27-A29 PolarHBondContact O-N 3.1Å
28A40.8Very low42.7Very low89 Ų89131.6 Ų131.674%0.73675%0.749SS**  trans-69.8107.3170.700000108.4L26L26-A28 PolarHBondContact O-N 2.85Å
29A36Very low41.1Very low103 Ų103133.2 Ų133.285%0.85176%0.762SS**  trans-80114.8165.300000107.9V27V27-A29 PolarHBondContact O-N 3.1Å
30Q33.8Very low39.5Very low179 Ų179136.5 Ų136.584%0.83678%0.777SS**  trans-115107.3178.9-164.6173.9-6.700108.2
31D31Very low38.1Very low156 Ų156139.8 Ų139.883%0.83479%0.79SS**  trans74.3148.5141.7-147.213.7000122.8
32A31.1Very low36.7Very low78 Ų78140.5 Ų140.565%0.64580%0.796SS**  trans77.7120.3165.800000116.6
33T31.6Very low35.6Very low136 Ų136137.2 Ų137.283%0.83479%0.794SS**  cis-157.3134.136.845.20000111.9
34E36.5Very low35Very low185 Ų185134.4 Ų134.486%0.86479%0.793SS**  trans-79.1137.8158.9-66.9176154.200109.2
35D33.7Very low34.1Very low168 Ų168140.1 Ų140.190%0.89881%0.814SS**  trans-169.7118.1131.8-97.6-22.5000109.2
36E38.9Very low33.8Very low188 Ų188140.7 Ų140.788%0.87981%0.81SS**  trans-92.1156.1170.5-70.3-151.8162.600111.1
37E33.3Very low33.6Very low198 Ų198139.1 Ų139.193%0.92581%0.807SS**  trans157.4142.8145.2-91.9-178.5-173.700107
38A30Very low33.3Very low85 Ų85139.9 Ų139.970%0.70281%0.807SS**  cis-170.2135.7-2.200000104.9
39A31Very low33.1Very low85 Ų85142 Ų14270%0.70281%0.811SS**  90.1132.5106.700000117.4
40D30.5Very low32.8Very low152 Ų152143.7 Ų143.781%0.81381%0.805SS**  trans68.5115.5156.3-53.2-25.2000118.5
41E30.7Very low32.8Very low173 Ų173139 Ų13981%0.80880%0.798SS**  67.5125.850.5-59.2-153.8-169.300116
42D31.4Very low32.8Very low152 Ų152139.7 Ų139.781%0.81380%0.795SS**  trans76.2112.3162.4-64.7-27.6000121.6
43A32.5Very low32.8Very low96 Ų96142.3 Ų142.379%0.79380%0.799SS**  -179.8117.3102.400000113
44V33.3Very low32.8Very low133 Ų133144.8 Ų144.881%0.80680%0.801SS**  trans-29.2143.8154.9-80.20000117.3
45D30.7Very low32.9Very low161 Ų161143.8 Ų143.886%0.86180%0.802SS**  -163.2134.6113-141.6-0000112.6
46D34.5Very low32.9Very low137 Ų137143.8 Ų143.873%0.73380%0.802SS**  trans-73.8145.8179.7-66.3-64.4000112.3
47V34Very low33Very low138 Ų138143.8 Ų143.884%0.83680%0.802SS**  trans-156116.5131.8178.30000109.5V49V47-V49 HydrophobicContact CG1-CG2 4.07Å
48D34.5Very low33.1Very low146 Ų146139 Ų13978%0.78180%0.795SS**  trans-93127.5165.6-174.44.8000109
49V35.7Very low33.5Very low133 Ų133144 Ų14481%0.80680%0.804SS**  trans-142108.1157.1-173.70000109.6V47V47-V49 HydrophobicContact CG1-CG2 4.07Å
50N30.3Very low33.9Very low139 Ų139147 Ų14774%0.74381%0.813SS**  trans-67144.7169.6-167.717.7000113.3
51A33.3Very low34.1Very low81 Ų81148 Ų14867%0.66981%0.813SS**  trans169.8120.413500000111.7
52E32.1Very low34.2Very low169 Ų169146.4 Ų146.479%0.7981%0.81SS**  43.2136.8127.2-57-176.3-177.100117.9
53D30.4Very low34.3Very low134 Ų134146 Ų14672%0.71781%0.808SS**  cis-178.717810.1-112.9-28.8000105.3
54E32.6Very low34.3Very low188 Ų188149.3 Ų149.388%0.87981%0.807SS**  trans89.6104.6156.4-73.3167.9-17200119.5
55D37.4Very low34.1Very low164 Ų164149.3 Ų149.388%0.87780%0.803SS**  trans-52.3139.6151.3-69.9-45.5000111.3
56D33.9Very low34.1Very low168 Ų168148.2 Ų148.290%0.89880%0.802SS**  trans-153.3122147.8-128.8-8.8000111
57E41.6Very low34.2Very low188 Ų188149.6 Ų149.688%0.87980%0.804SS**  trans-74.2135.5170.1-65.8-157.1170.200110.4
58A35.8Very low34.3Very low96 Ų96150.5 Ų150.579%0.79380%0.804SS**  trans-152.4115.7159.500000111.6
59E38Very low34.2Very low190 Ų190148.7 Ų148.789%0.88880%0.798SS**  trans-53.8140.8161.8-62.8174.3146.600111.8
60V39.5Very low34.2Very low148 Ų148151.7 Ų151.790%0.89780%0.803SS**  trans-147.8126.9146.4-78.20000110.6
61E34.4Very low34.4Very low173 Ų173153.4 Ų153.481%0.80881%0.807SS**  trans-74.9152.8174.8-64.2-178.7148.800112.7
62D32.8Very low34.9Very low140 Ų140156.3 Ų156.375%0.74980%0.804SS**  trans46.9126.4144.6-53.5-23.2000120.8
63D32.9Very low35.2Very low145 Ų145157.6 Ų157.678%0.77581%0.81SS**  169.5156.977.1-143.2-13.3000113.5
64E32.9Very low35.5Very low164 Ų164159.6 Ų159.677%0.76682%0.815SS**  trans77.3103.1155.5-57.9-166.6160.400123.7
65N28.4Very low35.7Very low133 Ų133157.4 Ų157.471%0.71181%0.805SS**  7498117.5-161.815.4000120.3
66T31.8Very low35.9Very low138 Ų138158.4 Ų158.485%0.84780%0.804SS**  trans-137.299.6142.927.90000110.9L68T66-L68 PolarHBondContact O-N 3.4Å
67E36.1Very low36.4Very low166 Ų166159.2 Ų159.278%0.77680%0.803SS**  trans-54.9111163.4-174.7177.7-172.100110.9
68L36.4Very low36.2Very low158 Ų158158.7 Ų158.783%0.82780%0.8SS**  trans-124.7106.8162.2-83.4166.1000108T66 E70T66-L68 PolarHBondContact O-N 3.4Å; L68-E70 PolarHBondContact O-N 2.78Å
69T32.3Very low36.3Very low108 Ų108158.3 Ų158.366%0.66380%0.797SS**  trans-59.4103169.544.80000110.6E71T69-E71 PolarHBondContact O-N 3.1Å
70E35.9Very low36.6Very low195 Ų195155.3 Ų155.391%0.91179%0.792SS**  trans-85.592.8158.5-75-176.6164.200108.1L68 K72L68-E70 PolarHBondContact O-N 2.78Å; E70-K72 PolarHBondContact O-N 3.34Å
71E34.8Very low36.6Very low176 Ų176151.7 Ų151.782%0.82278%0.784SS**  trans-77.9105166.4-68.9-172.6160.900109.1T69T69-E71 PolarHBondContact O-N 3.1Å
72K43Very low37.1Very low142 Ų142145.9 Ų145.962%0.61777%0.771SS**  66.178128-154.9175.3-175.8175.10117.8E70 E75E70-K72 PolarHBondContact O-N 3.34Å; K72-E75 WeakPolarHBondContact CE-OE1 3.4Å; K72-E75 WeakPolarHBondContact CE-OE2 3.4Å; K72-E75 VanDerWaalsContact NZ-CD 3.27Å; K72-E75 IonicContact NZ-OE1 2.66Å; K72-E75 PolarHBondContact NZ-OE1 3.43Å; K72-E75 VanDerWaalsContact NZ-OE1 3.1Å; K72-E75 IonicContact NZ-OE2 2.82Å; K72-E75 PolarHBondContact NZ-OE2 3.18Å
73E37.7Very low38.4Very low195 Ų195147.2 Ų147.291%0.91178%0.778SS**  trans-12618.9151.3-82.8-171.9168.100113
74E36.6Very low40.6Very low177 Ų177142.9 Ų142.983%0.82776%0.757SS**  trans-94.39.2178.8-69.4-173.6156.700114.6
75E38.2Very low43.2Very low142 Ų142143.1 Ų143.166%0.66476%0.755SS**SBendtrans-94.95.2-174.7-111.6178.4-154.700115.5K72K72-E75 WeakPolarHBondContact CE-OE1 3.4Å; K72-E75 WeakPolarHBondContact CE-OE2 3.4Å; K72-E75 VanDerWaalsContact NZ-CD 3.27Å; K72-E75 IonicContact NZ-OE1 2.66Å; K72-E75 PolarHBondContact NZ-OE1 3.43Å; K72-E75 VanDerWaalsContact NZ-OE1 3.1Å; K72-E75 IonicContact NZ-OE2 2.82Å; K72-E75 PolarHBondContact NZ-OE2 3.18Å
76E41.7Very low46.2Very low184 Ų184138.4 Ų138.486%0.8673%0.734SS**SBendtrans-113.9-7.1178.5-71.5-165.4171.300116.4
77E44.4Very low49.1Very low185 Ų185132.2 Ų132.286%0.86470%0.697SS**SBendtrans-101.2-10.1178.5-68.4-163.7162.700115A79E77-A79 PolarHBondContact O-N 2.83Å
78E36.3Very low51.8Low178 Ų178130 Ų13083%0.83270%0.697SS**THydrogen-bonded Turntrans-93.612.6-176.5-75-85.8149.700114.1
79A37.4Very low54.5Low87 Ų87126.1 Ų126.172%0.71968%0.677SS**THydrogen-bonded Turntrans-108.210-177.600000115.5E77 G81E77-A79 PolarHBondContact O-N 2.83Å; A79-G81 VanDerWaalsContact C-N 3.34Å
80V45.2Very low57.5Low128 Ų128121.7 Ų121.778%0.77665%0.651SS**  trans-101.630.1175.3-162.80000111.3
81G39Very low60.3Low72 Ų72115.8 Ų115.874%0.74263%0.626SS**  trans-109.810.8177.600000114.2A79A79-G81 VanDerWaalsContact C-N 3.34Å
82G45Very low63.2Low51 Ų51108.5 Ų108.553%0.52659%0.594SS.*SBendtrans-77.8131.7165.900000108.5V84G82-V84 VanDerWaalsContact O-CG2 3.32Å; G82-V84 WeakPolarHBondContact O-CG2 3.49Å; G82-V84 PolarHBondContact O-N 2.87Å
83D60.4Low65.7Low168 Ų168106.1 Ų106.190%0.89859%0.591SS**  trans-59.680.6173.2-65.2-61.6000110.4K85D83-K85 PolarHBondContact O-N 3.43Å
84V77.9Confident68.5Low54 Ų5498.8 Ų98.833%0.32756%0.557SS.*  trans-71.6103.5178.5-170.80000106.2G82 L191 F192 Q193G82-V84 VanDerWaalsContact O-CG2 3.32Å; G82-V84 WeakPolarHBondContact O-CG2 3.49Å; G82-V84 PolarHBondContact O-N 2.87Å; V84-L191 HydrophobicContact CG1-CB 4.46Å; V84-L191 WeakPolarHBondContact CG1-O 3.28Å; V84-F192 VanDerWaalsContact CG1-C 3.5Å; V84-F192 VanDerWaalsContact CG1-CA 3.45Å; V84-Q193 HydrophobicContact CB-CB 3.93Å; V84-Q193 HydrophobicContact CG1-CB 3.7Å; V84-Q193 VanDerWaalsContact CG1-N 3.31Å
85K88.3Confident71.3Confident168 Ų16895.5 Ų95.573%0.7355%0.545SS*.PPolyproline II helixtrans-91.9157.1-175.9-169.8173.6178.7174.50110.7D83 F192 Q193D83-K85 PolarHBondContact O-N 3.43Å; K85-F192 WeakPolarHBondContact O-CD1 3.49Å; K85-Q193 CarbonylContact C-O 3.52Å
86A92.4Very high74Confident34 Ų3489.7 Ų89.728%0.28152%0.518SS..PPolyproline II helixtrans-61.4137168.100000111.1Q193 D194A86-Q193 WeakPolarHBondContact CA-O 3.45Å; A86-Q193 PolarHBondContact N-O 3.09Å; A86-D194 HydrophobicContact CB-CB 3.81Å
87S92.6Very high76.4Confident8 Ų885 Ų856%0.05650%0.501CS..PPolyproline II helixtrans-66.8135.4172.5179.40000110.6N89 A90 Y184S87-N89 PolarHBondContact O-N 2.82Å; S87-N89 VanDerWaalsContact O-N 3.1Å; S87-N89 PolarHBondContact OG-N 2.98Å; S87-A90 PolarHBondContact O-N 2.84Å; S87-Y184 PolarHBondContact N-OH 2.86Å
88P92.7Very high78.5Confident119 Ų11982 Ų8277%0.77349%0.486SS*.THydrogen-bonded Turntrans-65.3-14.1176.528.6-36.1000113.5
89N93.6Very high80.9Confident78 Ų7875.2 Ų75.242%0.41746%0.463SS..THydrogen-bonded Turntrans-982.4-178.5-65-28.1000113.1S87 K117 G118 F122S87-N89 PolarHBondContact O-N 2.82Å; S87-N89 VanDerWaalsContact O-N 3.1Å; S87-N89 PolarHBondContact OG-N 2.98Å; N89-K117 WeakPolarHBondContact O-CA 3.37Å; N89-K117 WeakPolarHBondContact O-CB 3.4Å; N89-K117 PolarHBondContact O-N 2.75Å; N89-G118 PolarHBondContact O-N 3.34Å; N89-F122 HydrophobicContact CB-CE2 4.25Å; N89-F122 HydrophobicContact CB-CZ 4.19Å
90A94.6Very high83.3Confident15 Ų1577.5 Ų77.512%0.12446%0.463CS..EExtended strand (participates in β ladder)trans-113.4142.317400000109.3S87 F114 F122 Y184S87-A90 PolarHBondContact O-N 2.84Å; A90-F114 HydrophobicContact CB-CE2 3.69Å; A90-F114 HydrophobicContact CB-CZ 3.78Å; A90-F122 HydrophobicContact CB-CE2 4.39Å; A90-Y184 HydrophobicContact CB-CE2 3.74Å; A90-Y184 WeakPolarHBondContact CB-OH 3.27Å
91D95.4Very high85.3Confident71 Ų7176.7 Ų76.738%0.3845%0.454SS..EExtended strand (participates in β ladder)trans-127.6127.3173.7-168.817.8000108.7T115 K117D91-T115 PolarHBondContact N-O 3.22Å; D91-T115 PolarHBondContact O-N 2.97Å; D91-K117 HydrophobicContact CB-CD 4.2Å; D91-K117 VanDerWaalsContact CG-NZ 3.29Å; D91-K117 VanDerWaalsContact OD2-CE 3.32Å; D91-K117 WeakPolarHBondContact OD2-CE 3.38Å; D91-K117 IonicContact OD2-NZ 2.73Å; D91-K117 PolarHBondContact OD2-NZ 2.85Å
92T95.6Very high87.9Confident23 Ų2373.6 Ų73.614%0.14142%0.42CS..EExtended strand (participates in β ladder)trans-113.2151-177.364.80000110.3G113 F114 L182 D194 V196T92-G113 CarbonylContact C-O 3.56Å; T92-G113 VanDerWaalsContact CA-O 3.31Å; T92-G113 WeakPolarHBondContact CA-O 3.39Å; T92-F114 HydrophobicContact CG2-CD2 3.99Å; T92-L182 HydrophobicContact CG2-CD2 3.9Å; T92-D194 WeakPolarHBondContact CB-OD2 3.35Å; T92-D194 HydrophobicContact CG2-CB 4.32Å; T92-D194 WeakPolarHBondContact CG2-OD2 3.2Å; T92-D194 PolarHBondContact OG1-OD2 2.97Å; T92-V196 HydrophobicContact CG2-CG2 4.16Å
93T94.9Very high90.2Very high92 Ų9272.2 Ų72.256%0.56440%0.402SS*.EExtended strand (participates in β ladder)trans-145.3145.5178-1030000108.5M112 G113T93-M112 CarbonylContact O-C 3.5Å; T93-M112 WeakPolarHBondContact O-CA 3.5Å; T93-G113 PolarHBondContact N-O 2.76Å; T93-G113 PolarHBondContact O-N 2.95Å
94I95.5Very high91.7Very high40 Ų4064.4 Ų64.421%0.20536%0.361CS..EExtended strand (participates in β ladder)trans-125.7143175.7-172.1168.5000110.4F96 F110 L111 I180 V196 F197I94-F96 HydrophobicContact CD1-CE1 4.38Å; I94-F96 HydrophobicContact CD1-CE2 4.1Å; I94-F96 HydrophobicContact CD1-CZ 3.82Å; I94-F96 HydrophobicContact CG1-CE2 4.42Å; I94-F110 HydrophobicContact CD1-CB 4.3Å; I94-F110 HydrophobicContact CD1-CD1 4.44Å; I94-F110 HydrophobicContact CD1-CD2 3.71Å; I94-F110 HydrophobicContact CD1-CE2 4.08Å; I94-F110 HydrophobicContact CD1-CG 3.91Å; I94-F110 HydrophobicContact CG1-CB 4.15Å; I94-F110 HydrophobicContact CG1-CD2 3.87Å; I94-F110 HydrophobicContact CG1-CG 4.17Å; I94-L111 CarbonylContact C-O 3.5Å; I94-L111 WeakPolarHBondContact CA-O 3.46Å; I94-I180 HydrophobicContact CD1-CD1 3.43Å; I94-I180 VanDerWaalsContact CD1-CD1 3.43Å; I94-V196 HydrophobicContact CB-CG1 3.86Å; I94-V196 HydrophobicContact CG2-CG1 4.16Å; I94-F197 HydrophobicContact CD1-CB 4.02Å; I94-F197 HydrophobicContact CD1-CG 4.47Å; I94-F197 HydrophobicContact CG2-CD2 4.1Å
95L95.6Very high92.4Very high109 Ų10966.3 Ų66.357%0.57137%0.369SS*.EExtended strand (participates in β ladder)trans-138116175-179.567.6000109.8F110 L111L95-F110 CarbonylContact O-C 3.52Å; L95-F110 VanDerWaalsContact O-CA 3.23Å; L95-F110 WeakPolarHBondContact O-CA 3.47Å; L95-F110 WeakPolarHBondContact O-CB 3.49Å; L95-L111 PolarHBondContact N-O 3.14Å; L95-L111 PolarHBondContact O-N 2.92Å
96F95.5Very high92.6Very high20 Ų2060.5 Ų60.59%0.08835%0.346CS..EExtended strand (participates in β ladder)trans-76.4128.1171.4-66.4-81.2000110.6I94 G99 F102 V108 F110 L178 I180 F197I94-F96 HydrophobicContact CD1-CE1 4.38Å; I94-F96 HydrophobicContact CD1-CE2 4.1Å; I94-F96 HydrophobicContact CD1-CZ 3.82Å; I94-F96 HydrophobicContact CG1-CE2 4.42Å; F96-G99 WeakPolarHBondContact CB-O 3.26Å; F96-G99 PolarHBondContact O-N 2.78Å; F96-F102 AromaticContact CD1-CE1 3.92Å; F96-F102 HydrophobicContact CD1-CE1 3.92Å; F96-F102 HydrophobicContact CD1-CZ 4.02Å; F96-F102 HydrophobicContact CD2-CZ 4.42Å; F96-F102 AromaticContact CE1-CE1 3.58Å; F96-F102 HydrophobicContact CE1-CE1 3.58Å; F96-F102 AromaticContact CE1-CZ 3.76Å; F96-F102 HydrophobicContact CE1-CZ 3.76Å; F96-F102 HydrophobicContact CE2-CZ 4.18Å; F96-F102 HydrophobicContact CG-CZ 4.36Å; F96-F102 HydrophobicContact CZ-CE1 4.07Å; F96-F102 AromaticContact CZ-CZ 3.85Å; F96-F102 HydrophobicContact CZ-CZ 3.85Å; F96-V108 HydrophobicContact CD1-CG1 4.26Å; F96-F110 HydrophobicContact CD1-CB 3.66Å; F96-F110 HydrophobicContact CD1-CD1 4.35Å; F96-F110 HydrophobicContact CD1-CG 4.41Å; F96-F110 HydrophobicContact CE1-CB 3.93Å; F96-F110 AromaticContact CE1-CD1 3.9Å; F96-F110 HydrophobicContact CE1-CD1 3.9Å; F96-F110 HydrophobicContact CE1-CG 4.21Å; F96-F110 HydrophobicContact CG-CB 4.24Å; F96-L178 HydrophobicContact CE1-CD2 4.32Å; F96-L178 HydrophobicContact CZ-CD2 4.05Å; F96-I180 HydrophobicContact CE1-CD1 4.46Å; F96-I180 HydrophobicContact CZ-CD1 4.17Å; F96-F197 AromaticContact CE2-CD2 3.97Å; F96-F197 HydrophobicContact CE2-CD2 3.97Å; F96-F197 AromaticContact CE2-CE2 3.72Å; F96-F197 HydrophobicContact CE2-CE2 3.72Å; F96-F197 HydrophobicContact CE2-CG 4.47Å; F96-F197 HydrophobicContact CE2-CZ 4.01Å; F96-F197 HydrophobicContact CZ-CD1 4.4Å; F96-F197 HydrophobicContact CZ-CD2 4.31Å; F96-F197 HydrophobicContact CZ-CE1 4.35Å; F96-F197 HydrophobicContact CZ-CE2 4.27Å; F96-F197 HydrophobicContact CZ-CG 4.36Å; F96-F197 HydrophobicContact CZ-CZ 4.28Å
97V92.4Very high92.7Very high84 Ų8462.7 Ų62.751%0.50935%0.352SS..THydrogen-bonded Turntrans-71.7-34.8-172.2179.70000111.8K109 L111V97-K109 HydrophobicContact CB-CB 4.21Å; V97-K109 HydrophobicContact CG2-CB 4.08Å; V97-K109 PolarHBondContact N-O 3.18Å; V97-L111 HydrophobicContact CG2-CD1 4.38Å; V97-L111 HydrophobicContact CG2-CG 4.21Å
98K88.6Confident92.8Very high124 Ų12462.6 Ų62.654%0.53935%0.352SS..THydrogen-bonded Turntrans-979-179-70-177.6177.9171.90113.5I107K98-I107 PolarHBondContact NZ-O 2.62Å
99G87.2Confident92.9Very high34 Ų3460.5 Ų60.535%0.35133%0.33SS..  trans85-156.4-173.100000112.6F96 D101F96-G99 WeakPolarHBondContact CB-O 3.26Å; F96-G99 PolarHBondContact O-N 2.78Å; G99-D101 VanDerWaalsContact C-N 3.33Å
100D86.1Confident93Very high135 Ų13556.8 Ų56.872%0.72231%0.31SS*.SBendtrans-93.411.1-171.3-57.1-34.7000113.5F102D100-F102 WeakPolarHBondContact O-CD2 3.33Å; D100-F102 VanDerWaalsContact O-CE2 3.25Å; D100-F102 WeakPolarHBondContact O-CE2 3.16Å
101D88.7Confident93.1Very high112 Ų11258.9 Ų58.960%0.59932%0.319SS*.  trans-92.4127.9176.9-69.1-29.6000110.6G99 P103G99-D101 VanDerWaalsContact C-N 3.33Å; D101-P103 WeakPolarHBondContact O-CD 3.46Å
102F93.5Very high93.1Very high6 Ų655.5 Ų55.53%0.02630%0.301CS..EExtended strand (participates in β ladder)trans-116.282-178.2-62.6-92.5000110.1F96 D100 V108 F165 L178 V201 I203 T204F96-F102 AromaticContact CD1-CE1 3.92Å; F96-F102 HydrophobicContact CD1-CE1 3.92Å; F96-F102 HydrophobicContact CD1-CZ 4.02Å; F96-F102 HydrophobicContact CD2-CZ 4.42Å; F96-F102 AromaticContact CE1-CE1 3.58Å; F96-F102 HydrophobicContact CE1-CE1 3.58Å; F96-F102 AromaticContact CE1-CZ 3.76Å; F96-F102 HydrophobicContact CE1-CZ 3.76Å; F96-F102 HydrophobicContact CE2-CZ 4.18Å; F96-F102 HydrophobicContact CG-CZ 4.36Å; F96-F102 HydrophobicContact CZ-CE1 4.07Å; F96-F102 AromaticContact CZ-CZ 3.85Å; F96-F102 HydrophobicContact CZ-CZ 3.85Å; D100-F102 WeakPolarHBondContact O-CD2 3.33Å; D100-F102 VanDerWaalsContact O-CE2 3.25Å; D100-F102 WeakPolarHBondContact O-CE2 3.16Å; F102-V108 HydrophobicContact CB-CG2 4.48Å; F102-V108 HydrophobicContact CD1-CB 4.47Å; F102-V108 HydrophobicContact CD1-CG1 3.75Å; F102-V108 HydrophobicContact CD1-CG2 4.03Å; F102-V108 HydrophobicContact CE1-CG1 3.83Å; F102-F165 HydrophobicContact CD1-CZ 4.22Å; F102-F165 HydrophobicContact CE1-CZ 4.26Å; F102-L178 HydrophobicContact CE1-CD2 3.77Å; F102-L178 HydrophobicContact CZ-CD2 4.14Å; F102-V201 HydrophobicContact CD2-CB 3.79Å; F102-V201 HydrophobicContact CD2-CG1 4.15Å; F102-V201 HydrophobicContact CD2-CG2 4.26Å; F102-V201 HydrophobicContact CE2-CB 3.78Å; F102-V201 HydrophobicContact CE2-CG1 3.59Å; F102-V201 HydrophobicContact CE2-CG2 4.43Å; F102-V201 HydrophobicContact CG-CB 4.4Å; F102-V201 HydrophobicContact CG-CG2 4.38Å; F102-V201 HydrophobicContact CZ-CB 4.37Å; F102-V201 HydrophobicContact CZ-CG1 3.89Å; F102-I203 HydrophobicContact CB-CD1 3.68Å; F102-I203 CarbonylContact O-C 3.52Å; F102-I203 VanDerWaalsContact O-CA 3.26Å; F102-I203 WeakPolarHBondContact O-CA 3.37Å; F102-I203 WeakPolarHBondContact O-CG2 3.31Å; F102-T204 PolarHBondContact O-N 3.1Å; F102-T204 PolarHBondContact O-OG1 3.4Å
103P92.9Very high93.1Very high23 Ų2355 Ų5515%0.14930%0.301CS..EExtended strand (participates in β ladder)trans-69.3136.9179.828-35.3000112.1D101 D106 T204D101-P103 WeakPolarHBondContact O-CD 3.46Å; P103-D106 HydrophobicContact CB-CB 3.84Å; P103-D106 HydrophobicContact CG-CB 3.54Å; P103-T204 CarbonylContact C-O 3.56Å; P103-T204 WeakPolarHBondContact CA-O 2.87Å; P103-T204 VanDerWaalsContact CA-OG1 3.31Å; P103-T204 WeakPolarHBondContact CA-OG1 3.32Å
104A92.6Very high93.3Very high3 Ų350.7 Ų50.73%0.02527%0.274CS..THydrogen-bonded Turntrans-65.2143171.800000110.7D106 I203 T204A104-D106 PolarHBondContact O-N 2.89Å; A104-D106 VanDerWaalsContact O-N 3.1Å; A104-I203 HydrophobicContact CB-CG2 3.79Å; A104-T204 WeakPolarHBondContact CB-O 3.45Å; A104-T204 PolarHBondContact N-O 3.23Å
105N91.8Very high93.3Very high95 Ų9550.9 Ų50.951%0.50828%0.277SS..THydrogen-bonded Turntrans59.615.6-179.7-158.725.9000115.1P167 E169N105-P167 WeakPolarHBondContact CA-O 3.24Å; N105-P167 PolarHBondContact N-O 2.9Å; N105-E169 HydrophobicContact CB-CB 4.34Å
106D92.3Very high93.4Very high46 Ų4645.7 Ų45.725%0.24625%0.25CS..SBendtrans-121.7151.6179-97.812.3000110.6P103 A104 V108 P167 R206P103-D106 HydrophobicContact CB-CB 3.84Å; P103-D106 HydrophobicContact CG-CB 3.54Å; A104-D106 PolarHBondContact O-N 2.89Å; A104-D106 VanDerWaalsContact O-N 3.1Å; D106-V108 PolarHBondContact O-N 2.86Å; D106-P167 VanDerWaalsContact O-CD 3.32Å; D106-P167 WeakPolarHBondContact O-CD 3.29Å; D106-R206 IonicContact OD1-CZ 3.83Å; D106-R206 IonicContact OD1-NH1 3.1Å; D106-R206 PolarHBondContact OD1-NH1 3.44Å; D106-R206 IonicContact OD2-NH1 2.78Å
107I93.8Very high93.4Very high79 Ų7950.9 Ų50.941%0.40527%0.273SS..  trans-72.5118-180-55.6170.9000109.5K98 K109 I166K98-I107 PolarHBondContact NZ-O 2.62Å; I107-K109 HydrophobicContact CG2-CD 4.5Å; I107-K109 HydrophobicContact CG2-CG 3.77Å; I107-I166 HydrophobicContact CB-CG1 4.49Å; I107-I166 HydrophobicContact CG1-CD1 4.03Å; I107-I166 HydrophobicContact CG1-CG1 3.88Å
108V94.8Very high93.3Very high7 Ų747.5 Ų47.54%0.04226%0.255CS..EExtended strand (participates in β ladder)trans-92.9132.1165.6178.90000108.2F96 F102 D106 S164 F165 P167F96-V108 HydrophobicContact CD1-CG1 4.26Å; F102-V108 HydrophobicContact CB-CG2 4.48Å; F102-V108 HydrophobicContact CD1-CB 4.47Å; F102-V108 HydrophobicContact CD1-CG1 3.75Å; F102-V108 HydrophobicContact CD1-CG2 4.03Å; F102-V108 HydrophobicContact CE1-CG1 3.83Å; D106-V108 PolarHBondContact O-N 2.86Å; V108-S164 CarbonylContact O-C 3.59Å; V108-S164 WeakPolarHBondContact O-CA 2.88Å; V108-S164 WeakPolarHBondContact O-CB 3.01Å; V108-F165 HydrophobicContact CB-CE1 4.14Å; V108-F165 HydrophobicContact CB-CE2 4.15Å; V108-F165 HydrophobicContact CB-CZ 3.95Å; V108-F165 HydrophobicContact CG1-CE1 3.84Å; V108-F165 HydrophobicContact CG1-CE2 4.43Å; V108-F165 HydrophobicContact CG1-CZ 3.75Å; V108-F165 HydrophobicContact CG2-CE2 4.48Å; V108-F165 PolarHBondContact N-O 3.45Å; V108-F165 PolarHBondContact O-N 3.15Å; V108-P167 HydrophobicContact CG2-CG 4.04Å
109K95.4Very high93.6Very high74 Ų7446.1 Ų46.132%0.32226%0.261SS..EExtended strand (participates in β ladder)trans-126.3139.1-179.1-61.5-167.6162.3-152.50110.7V97 I107 E162 Y163V97-K109 HydrophobicContact CB-CB 4.21Å; V97-K109 HydrophobicContact CG2-CB 4.08Å; V97-K109 PolarHBondContact N-O 3.18Å; I107-K109 HydrophobicContact CG2-CD 4.5Å; I107-K109 HydrophobicContact CG2-CG 3.77Å; K109-E162 WeakPolarHBondContact CD-OE1 3.49Å; K109-E162 IonicContact NZ-OE1 3.96Å; K109-E162 PolarHBondContact NZ-OE1 2.84Å; K109-Y163 WeakPolarHBondContact CA-O 3.47Å
110F95.9Very high93.9Very high0 Ų048.3 Ų48.30%026%0.264CS..EExtended strand (participates in β ladder)trans-138.4157169.765.6-99.5000111.7I94 L95 F96 M112 L127 Y163 F165 I180I94-F110 HydrophobicContact CD1-CB 4.3Å; I94-F110 HydrophobicContact CD1-CD1 4.44Å; I94-F110 HydrophobicContact CD1-CD2 3.71Å; I94-F110 HydrophobicContact CD1-CE2 4.08Å; I94-F110 HydrophobicContact CD1-CG 3.91Å; I94-F110 HydrophobicContact CG1-CB 4.15Å; I94-F110 HydrophobicContact CG1-CD2 3.87Å; I94-F110 HydrophobicContact CG1-CG 4.17Å; L95-F110 CarbonylContact O-C 3.52Å; L95-F110 VanDerWaalsContact O-CA 3.23Å; L95-F110 WeakPolarHBondContact O-CA 3.47Å; L95-F110 WeakPolarHBondContact O-CB 3.49Å; F96-F110 HydrophobicContact CD1-CB 3.66Å; F96-F110 HydrophobicContact CD1-CD1 4.35Å; F96-F110 HydrophobicContact CD1-CG 4.41Å; F96-F110 HydrophobicContact CE1-CB 3.93Å; F96-F110 AromaticContact CE1-CD1 3.9Å; F96-F110 HydrophobicContact CE1-CD1 3.9Å; F96-F110 HydrophobicContact CE1-CG 4.21Å; F96-F110 HydrophobicContact CG-CB 4.24Å; F110-M112 HydrophobicContact CD2-CB 4.24Å; F110-M112 HydrophobicContact CE2-CB 4.08Å; F110-L127 HydrophobicContact CE2-CD1 3.78Å; F110-L127 HydrophobicContact CE2-CD2 4.43Å; F110-L127 HydrophobicContact CZ-CD1 4.02Å; F110-L127 HydrophobicContact CZ-CD2 3.89Å; F110-Y163 HydrophobicContact CD1-CD1 4.35Å; F110-Y163 AromaticContact CE1-CD1 3.38Å; F110-Y163 HydrophobicContact CE1-CD1 3.38Å; F110-Y163 HydrophobicContact CE1-CE1 4.2Å; F110-Y163 HydrophobicContact CE1-CG 4.19Å; F110-Y163 HydrophobicContact CE2-CD1 4.4Å; F110-Y163 HydrophobicContact CE2-CG 4.47Å; F110-Y163 AromaticContact CZ-CD1 3.4Å; F110-Y163 HydrophobicContact CZ-CD1 3.4Å; F110-Y163 HydrophobicContact CZ-CE1 4.33Å; F110-Y163 AromaticContact CZ-CG 3.83Å; F110-Y163 HydrophobicContact CZ-CG 3.83Å; F110-Y163 PolarHBondContact N-O 2.87Å; F110-Y163 PolarHBondContact O-N 3.18Å; F110-F165 HydrophobicContact CD1-CD1 4.44Å; F110-F165 HydrophobicContact CD1-CE1 4.05Å; F110-F165 HydrophobicContact CE1-CD1 4.07Å; F110-F165 AromaticContact CE1-CE1 3.91Å; F110-F165 HydrophobicContact CE1-CE1 3.91Å; F110-I180 HydrophobicContact CD1-CD1 4.01Å; F110-I180 HydrophobicContact CE1-CD1 3.47Å; F110-I180 VanDerWaalsContact CE1-CD1 3.47Å; F110-I180 HydrophobicContact CE1-CG1 4.27Å; F110-I180 HydrophobicContact CE2-CD1 4.3Å; F110-I180 HydrophobicContact CE2-CG2 4.17Å; F110-I180 HydrophobicContact CZ-CD1 3.65Å; F110-I180 HydrophobicContact CZ-CG1 4.21Å; F110-I180 HydrophobicContact CZ-CG2 3.78Å
111L96.3Very high94.3Very high59 Ų5945.2 Ų45.231%0.30925%0.248SC..EExtended strand (participates in β ladder)trans-107126.9172.2-66.6166.7000108I94 L95 V97 T160 F161 E162I94-L111 CarbonylContact C-O 3.5Å; I94-L111 WeakPolarHBondContact CA-O 3.46Å; L95-L111 PolarHBondContact N-O 3.14Å; L95-L111 PolarHBondContact O-N 2.92Å; V97-L111 HydrophobicContact CG2-CD1 4.38Å; V97-L111 HydrophobicContact CG2-CG 4.21Å; L111-T160 HydrophobicContact CB-CG2 4.11Å; L111-T160 HydrophobicContact CD2-CG2 4.22Å; L111-F161 CarbonylContact C-O 3.54Å; L111-F161 WeakPolarHBondContact CA-O 3.36Å; L111-E162 HydrophobicContact CD2-CB 3.84Å; L111-E162 HydrophobicContact CD2-CG 4.23Å
112M96Very high94.7Very high1 Ų140 Ų401%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-109.7116.8176.6174.8-90.7-6200108.2T93 F110 L127 L149 T160 F161 L182T93-M112 CarbonylContact O-C 3.5Å; T93-M112 WeakPolarHBondContact O-CA 3.5Å; F110-M112 HydrophobicContact CD2-CB 4.24Å; F110-M112 HydrophobicContact CE2-CB 4.08Å; M112-L127 HydrophobicContact CB-CD1 4.2Å; M112-L127 HydrophobicContact CE-CB 4.27Å; M112-L127 HydrophobicContact CE-CD1 3.41Å; M112-L127 VanDerWaalsContact CE-CD1 3.41Å; M112-L127 HydrophobicContact CE-CG 4.45Å; M112-L127 HydrophobicContact CG-CD1 4.12Å; M112-L149 HydrophobicContact CE-CD1 4.19Å; M112-T160 CarbonylContact O-C 3.19Å; M112-T160 VanDerWaalsContact O-CA 3.29Å; M112-T160 WeakPolarHBondContact O-CA 3.26Å; M112-F161 HydrophobicContact CE-CB 3.82Å; M112-F161 HydrophobicContact CE-CD2 3.26Å; M112-F161 HydrophobicContact CE-CE2 4.06Å; M112-F161 HydrophobicContact CE-CG 3.85Å; M112-F161 PolarHBondContact N-O 3.02Å; M112-F161 PolarHBondContact O-N 3Å; M112-F161 HydrophobicContact SD-CD2 3.58Å; M112-F161 VanDerWaalsContact SD-CD2 3.58Å; M112-F161 HydrophobicContact SD-CE2 4.15Å; M112-L182 HydrophobicContact CE-CD1 3.34Å; M112-L182 HydrophobicContact CE-CD2 4.3Å; M112-L182 HydrophobicContact CE-CG 4.37Å; M112-L182 HydrophobicContact SD-CD1 3.87Å; M112-L182 HydrophobicContact SD-CD2 3.64Å; M112-L182 HydrophobicContact SD-CG 4.29Å
113G96.4Very high94.9Very high13 Ų1341.3 Ų41.313%0.13423%0.228CC..EExtended strand (participates in β ladder)trans-93131.5175.500000110.1T92 T93 A159T92-G113 CarbonylContact C-O 3.56Å; T92-G113 VanDerWaalsContact CA-O 3.31Å; T92-G113 WeakPolarHBondContact CA-O 3.39Å; T93-G113 PolarHBondContact N-O 2.76Å; T93-G113 PolarHBondContact O-N 2.95Å; G113-A159 WeakPolarHBondContact CA-O 3.47Å
114F97.3Very high95Very high0 Ų040.2 Ų40.20%022%0.221CC..EExtended strand (participates in β ladder)trans-119.8122.8173.1-179.6-90.4000108.8A90 T92 N116 F122 V124 V153 Q158 A159 F161 L182 Y184A90-F114 HydrophobicContact CB-CE2 3.69Å; A90-F114 HydrophobicContact CB-CZ 3.78Å; T92-F114 HydrophobicContact CG2-CD2 3.99Å; F114-N116 HydrophobicContact CE1-CB 4.2Å; F114-F122 HydrophobicContact CE1-CB 3.91Å; F114-F122 HydrophobicContact CE1-CD2 4.15Å; F114-F122 HydrophobicContact CE1-CG 4.34Å; F114-F122 HydrophobicContact CZ-CB 3.83Å; F114-F122 AromaticContact CZ-CD2 3.88Å; F114-F122 HydrophobicContact CZ-CD2 3.88Å; F114-F122 AromaticContact CZ-CG 3.95Å; F114-F122 HydrophobicContact CZ-CG 3.95Å; F114-V124 HydrophobicContact CD1-CG2 4.05Å; F114-V124 HydrophobicContact CD2-CG2 4.35Å; F114-V124 HydrophobicContact CE1-CG2 4.26Å; F114-V124 HydrophobicContact CG-CG2 4.09Å; F114-V124 HydrophobicContact CZ-CG2 4.49Å; F114-V153 HydrophobicContact CD1-CB 4.02Å; F114-V153 HydrophobicContact CD1-CG1 3.97Å; F114-V153 HydrophobicContact CD1-CG2 3.87Å; F114-V153 HydrophobicContact CE1-CB 4.02Å; F114-V153 HydrophobicContact CE1-CG1 4.19Å; F114-V153 HydrophobicContact CE1-CG2 4.24Å; F114-Q158 CarbonylContact O-C 3.57Å; F114-Q158 WeakPolarHBondContact O-CA 3.22Å; F114-Q158 WeakPolarHBondContact O-CB 3.31Å; F114-A159 PolarHBondContact N-O 2.82Å; F114-A159 PolarHBondContact O-N 3.33Å; F114-F161 HydrophobicContact CB-CE2 3.99Å; F114-L182 HydrophobicContact CB-CD2 4.47Å; F114-L182 HydrophobicContact CD2-CD2 3.51Å; F114-L182 HydrophobicContact CE2-CD2 4.18Å; F114-L182 HydrophobicContact CG-CD2 4.37Å; F114-Y184 HydrophobicContact CE2-CD1 4.13Å; F114-Y184 AromaticContact CE2-CD2 3.92Å; F114-Y184 HydrophobicContact CE2-CD2 3.92Å; F114-Y184 HydrophobicContact CE2-CE1 4.24Å; F114-Y184 AromaticContact CE2-CE2 3.99Å; F114-Y184 HydrophobicContact CE2-CE2 3.99Å; F114-Y184 AromaticContact CE2-CG 3.98Å; F114-Y184 HydrophobicContact CE2-CG 3.98Å; F114-Y184 AromaticContact CZ-CD2 3.94Å; F114-Y184 HydrophobicContact CZ-CD2 3.94Å; F114-Y184 HydrophobicContact CZ-CE2 4.13Å; F114-Y184 HydrophobicContact CZ-CG 4.33Å
115T96.9Very high95.2Very high44 Ų4442.1 Ų42.127%0.2723%0.23SC..EExtended strand (participates in β ladder)trans-116117.6179.5-560000109.7D91 K117 Q158D91-T115 PolarHBondContact N-O 3.22Å; D91-T115 PolarHBondContact O-N 2.97Å; T115-K117 HydrophobicContact CG2-CG 4.34Å; T115-K117 PolarHBondContact O-N 3.49Å; T115-Q158 HydrophobicContact CG2-CB 4.42Å
116N96.7Very high95.4Very high1 Ų138.1 Ų38.11%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-84.8107.7174.9-175.6-5.6000110F114 G118 D120 F122 V153 P154 A155 G156 R157F114-N116 HydrophobicContact CE1-CB 4.2Å; N116-G118 WeakPolarHBondContact OD1-CA 3.39Å; N116-G118 PolarHBondContact OD1-N 2.66Å; N116-D120 PolarHBondContact ND2-O 3.44Å; N116-F122 HydrophobicContact CB-CD2 4.14Å; N116-F122 VanDerWaalsContact CG-CD2 3.42Å; N116-F122 WeakPolarHBondContact ND2-CD2 3.26Å; N116-F122 WeakPolarHBondContact OD1-CD2 3.47Å; N116-F122 WeakPolarHBondContact OD1-CE2 3.35Å; N116-V153 HydrophobicContact CB-CG1 3.96Å; N116-V153 PolarHBondContact ND2-O 2.76Å; N116-P154 PolarHBondContact ND2-O 3.31Å; N116-A155 WeakPolarHBondContact ND2-CA 3.48Å; N116-A155 PolarHBondContact ND2-N 3.24Å; N116-G156 WeakPolarHBondContact O-CA 3.47Å; N116-G156 PolarHBondContact O-N 3.48Å; N116-R157 WeakPolarHBondContact CB-O 3.39Å; N116-R157 PolarHBondContact N-O 2.85Å
117K95.8Very high95.5Very high129 Ų12936 Ų3656%0.56120%0.198SC*.  trans-93.8-6.6174.6-62.4178.1-178.1166.90112.8N89 D91 T115N89-K117 WeakPolarHBondContact O-CA 3.37Å; N89-K117 WeakPolarHBondContact O-CB 3.4Å; N89-K117 PolarHBondContact O-N 2.75Å; D91-K117 HydrophobicContact CB-CD 4.2Å; D91-K117 VanDerWaalsContact CG-NZ 3.29Å; D91-K117 VanDerWaalsContact OD2-CE 3.32Å; D91-K117 WeakPolarHBondContact OD2-CE 3.38Å; D91-K117 IonicContact OD2-NZ 2.73Å; D91-K117 PolarHBondContact OD2-NZ 2.85Å; T115-K117 HydrophobicContact CG2-CG 4.34Å; T115-K117 PolarHBondContact O-N 3.49Å
118G91.3Very high95.6Very high13 Ų1334.5 Ų34.513%0.13419%0.19CC..SBendtrans-77.1175.1-179.600000113.9N89 N116 A155N89-G118 PolarHBondContact O-N 3.34Å; N116-G118 WeakPolarHBondContact OD1-CA 3.39Å; N116-G118 PolarHBondContact OD1-N 2.66Å; G118-A155 WeakPolarHBondContact O-CB 3.28Å
119S93.4Very high95.6Very high95 Ų9534.3 Ų34.366%0.66419%0.189SC*.SBendtrans-83.1-25.2172.443.80000113.5A155S119-A155 VanDerWaalsContact O-CB 3.26Å; S119-A155 WeakPolarHBondContact O-CB 3.25Å
120D94.1Very high95.6Very high79 Ų7931 Ų3142%0.42218%0.176SC..SBendtrans-102.6162.5-173.7-58.8-64.3000111N116 D186N116-D120 PolarHBondContact ND2-O 3.44Å; D120-D186 WeakPolarHBondContact CB-OD1 3.48Å
121N95.7Very high95.6Very high70 Ų7031 Ų3137%0.37418%0.176SC..PPolyproline II helixtrans-82.6134.4179.5-63-20.9000109.7V152 P154 A155 S187N121-V152 HydrophobicContact CB-CG1 4.02Å; N121-P154 VanDerWaalsContact OD1-CA 3.28Å; N121-P154 WeakPolarHBondContact OD1-CA 3.48Å; N121-A155 PolarHBondContact OD1-N 2.79Å; N121-S187 PolarHBondContact N-OG 2.99Å; N121-S187 PolarHBondContact O-N 2.83Å; N121-S187 PolarHBondContact O-OG 3.18Å
122F96.7Very high95.6Very high4 Ų429.7 Ų29.72%0.01817%0.167CC..EExtended strand (participates in β ladder)trans-95.5148.7167.8-72.6-66.8000110.4N89 A90 F114 N116 V152 V153 Y184 K185 D186 F192N89-F122 HydrophobicContact CB-CE2 4.25Å; N89-F122 HydrophobicContact CB-CZ 4.19Å; A90-F122 HydrophobicContact CB-CE2 4.39Å; F114-F122 HydrophobicContact CE1-CB 3.91Å; F114-F122 HydrophobicContact CE1-CD2 4.15Å; F114-F122 HydrophobicContact CE1-CG 4.34Å; F114-F122 HydrophobicContact CZ-CB 3.83Å; F114-F122 AromaticContact CZ-CD2 3.88Å; F114-F122 HydrophobicContact CZ-CD2 3.88Å; F114-F122 AromaticContact CZ-CG 3.95Å; F114-F122 HydrophobicContact CZ-CG 3.95Å; N116-F122 HydrophobicContact CB-CD2 4.14Å; N116-F122 VanDerWaalsContact CG-CD2 3.42Å; N116-F122 WeakPolarHBondContact ND2-CD2 3.26Å; N116-F122 WeakPolarHBondContact OD1-CD2 3.47Å; N116-F122 WeakPolarHBondContact OD1-CE2 3.35Å; F122-V152 CarbonylContact O-C 3.57Å; F122-V152 WeakPolarHBondContact O-CA 3.48Å; F122-V153 PolarHBondContact N-O 3.33Å; F122-V153 VanDerWaalsContact N-O 3.13Å; F122-V153 PolarHBondContact O-N 2.9Å; F122-Y184 HydrophobicContact CB-CD2 4.47Å; F122-Y184 AromaticContact CD1-CD2 3.75Å; F122-Y184 HydrophobicContact CD1-CD2 3.75Å; F122-Y184 HydrophobicContact CD1-CE2 4.06Å; F122-Y184 HydrophobicContact CE1-CD2 4.24Å; F122-Y184 HydrophobicContact CE1-CE2 4.1Å; F122-Y184 HydrophobicContact CG-CD2 4.17Å; F122-K185 CarbonylContact C-O 3.55Å; F122-K185 WeakPolarHBondContact CA-O 3.39Å; F122-D186 HydrophobicContact CD1-CB 4.05Å; F122-D186 HydrophobicContact CE1-CB 3.79Å; F122-F192 HydrophobicContact CE1-CD2 4.29Å; F122-F192 HydrophobicContact CE1-CE2 4.31Å
123V96.7Very high95.5Very high32 Ų3235.6 Ų35.619%0.19419%0.19CC..EExtended strand (participates in β ladder)trans-113.2112.9169.9-1730000107.4E125 I151 V152 Y184 K185V123-E125 PolarHBondContact O-N 2.81Å; V123-I151 WeakPolarHBondContact CA-O 3.48Å; V123-V152 HydrophobicContact CG2-CG2 4.13Å; V123-Y184 CarbonylContact O-C 3.53Å; V123-Y184 WeakPolarHBondContact O-CA 3.33Å; V123-Y184 WeakPolarHBondContact O-CB 3.36Å; V123-K185 HydrophobicContact CB-CG 3.92Å; V123-K185 HydrophobicContact CG2-CG 4.48Å; V123-K185 PolarHBondContact N-O 2.69Å; V123-K185 PolarHBondContact O-N 2.95Å
124V96.3Very high95.4Very high0 Ų037.2 Ų37.20%020%0.198CC..EExtended strand (participates in β ladder)trans-78.8115.4174.6-176.90000107.7F114 L149 G150 I151 V153 F161 L182F114-V124 HydrophobicContact CD1-CG2 4.05Å; F114-V124 HydrophobicContact CD2-CG2 4.35Å; F114-V124 HydrophobicContact CE1-CG2 4.26Å; F114-V124 HydrophobicContact CG-CG2 4.09Å; F114-V124 HydrophobicContact CZ-CG2 4.49Å; V124-L149 HydrophobicContact CG1-CB 4.4Å; V124-L149 HydrophobicContact CG1-CD1 3.62Å; V124-G150 CarbonylContact O-C 3.56Å; V124-G150 VanDerWaalsContact O-CA 3.27Å; V124-G150 WeakPolarHBondContact O-CA 3.27Å; V124-G150 PolarHBondContact O-N 2.86Å; V124-I151 PolarHBondContact N-O 3.28Å; V124-I151 PolarHBondContact O-N 2.79Å; V124-V153 HydrophobicContact CG2-CG2 3.91Å; V124-F161 HydrophobicContact CB-CE2 4.4Å; V124-F161 HydrophobicContact CB-CZ 4.02Å; V124-F161 HydrophobicContact CG1-CE2 4.07Å; V124-F161 HydrophobicContact CG1-CZ 4.07Å; V124-F161 HydrophobicContact CG2-CE2 4.14Å; V124-F161 HydrophobicContact CG2-CZ 3.95Å; V124-L182 HydrophobicContact CG1-CD1 3.5Å; V124-L182 HydrophobicContact CG1-CG 4.27Å
125E95.3Very high95.2Very high44 Ų4446.5 Ų46.521%0.20624%0.241CC..EExtended strand (participates in β ladder)trans-90.6-64.7-171.6-67.8-162.5138.500111.6V123 Q148 L149 G150 N183 K185 L191V123-E125 PolarHBondContact O-N 2.81Å; E125-Q148 PolarHBondContact O-NE2 3.06Å; E125-L149 PolarHBondContact O-N 2.84Å; E125-G150 PolarHBondContact O-N 2.97Å; E125-N183 PolarHBondContact N-O 2.87Å; E125-K185 HydrophobicContact CG-CD 4.42Å; E125-K185 HydrophobicContact CG-CG 4.28Å; E125-K185 WeakPolarHBondContact OE1-CD 3.39Å; E125-K185 WeakPolarHBondContact OE1-CE 3.48Å; E125-K185 IonicContact OE1-NZ 2.64Å; E125-K185 PolarHBondContact OE1-NZ 2.82Å; E125-L191 VanDerWaalsContact OE2-CD2 3.31Å; E125-L191 WeakPolarHBondContact OE2-CD2 3.45Å
126S95.7Very high94.9Very high11 Ų1147.1 Ų47.18%0.07724%0.243CC..EExtended strand (participates in β ladder)trans-139154.6-178.6760000112.2D128 L147 N183S126-D128 PolarHBondContact OG-OD1 2.56Å; S126-D128 VanDerWaalsContact OG-OD1 3.14Å; S126-L147 CarbonylContact C-O 3.46Å; S126-L147 VanDerWaalsContact CA-O 3.26Å; S126-L147 WeakPolarHBondContact CA-O 3.32Å; S126-N183 PolarHBondContact N-O 2.76Å; S126-N183 PolarHBondContact O-N 3.49Å; S126-N183 PolarHBondContact OG-ND2 3Å
127L95.9Very high94.6Very high2 Ų249.2 Ų49.21%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-113.6128.9162.6176143000108.9F110 M112 A146 L147 Y163 I180 N181 L182F110-L127 HydrophobicContact CE2-CD1 3.78Å; F110-L127 HydrophobicContact CE2-CD2 4.43Å; F110-L127 HydrophobicContact CZ-CD1 4.02Å; F110-L127 HydrophobicContact CZ-CD2 3.89Å; M112-L127 HydrophobicContact CB-CD1 4.2Å; M112-L127 HydrophobicContact CE-CB 4.27Å; M112-L127 HydrophobicContact CE-CD1 3.41Å; M112-L127 VanDerWaalsContact CE-CD1 3.41Å; M112-L127 HydrophobicContact CE-CG 4.45Å; M112-L127 HydrophobicContact CG-CD1 4.12Å; L127-A146 CarbonylContact O-C 3.56Å; L127-A146 WeakPolarHBondContact O-CA 3.45Å; L127-L147 PolarHBondContact N-O 3.02Å; L127-L147 PolarHBondContact O-N 3.32Å; L127-Y163 HydrophobicContact CD2-CD1 3.77Å; L127-Y163 HydrophobicContact CD2-CD2 3.47Å; L127-Y163 VanDerWaalsContact CD2-CD2 3.47Å; L127-Y163 HydrophobicContact CD2-CE1 4.05Å; L127-Y163 HydrophobicContact CD2-CE2 3.79Å; L127-Y163 HydrophobicContact CD2-CG 3.44Å; L127-Y163 VanDerWaalsContact CD2-CG 3.44Å; L127-I180 HydrophobicContact CD1-CG2 3.86Å; L127-I180 HydrophobicContact CD2-CG2 4.32Å; L127-I180 HydrophobicContact CG-CG2 4.14Å; L127-N181 WeakPolarHBondContact CA-O 3.32Å; L127-L182 HydrophobicContact CB-CD1 4.32Å
128D94.9Very high94.4Very high46 Ų4650.5 Ų50.525%0.24626%0.26CS..EExtended strand (participates in β ladder)trans-117.4138.2-179.9-49.2-27.4000108.9S126 A146 I180 N181 N183S126-D128 PolarHBondContact OG-OD1 2.56Å; S126-D128 VanDerWaalsContact OG-OD1 3.14Å; D128-A146 VanDerWaalsContact OD1-CB 3.27Å; D128-A146 WeakPolarHBondContact OD1-CB 3.15Å; D128-I180 CarbonylContact O-C 3.6Å; D128-I180 WeakPolarHBondContact O-CA 3.4Å; D128-N181 PolarHBondContact N-O 2.82Å; D128-N181 PolarHBondContact O-N 2.9Å; D128-N183 PolarHBondContact OD2-ND2 3.18Å
129A95.9Very high94.4Very high3 Ų355.8 Ų55.83%0.02528%0.279CS..EExtended strand (participates in β ladder)trans-129.4141.6174.200000109.4F144 Y163 V179 I180A129-F144 HydrophobicContact CB-CB 4.22Å; A129-F144 HydrophobicContact CB-CD2 3.9Å; A129-F144 WeakPolarHBondContact O-CB 3.34Å; A129-F144 WeakPolarHBondContact O-CD2 3.32Å; A129-F144 PolarHBondContact O-N 3.1Å; A129-Y163 HydrophobicContact CB-CE1 3.78Å; A129-V179 CarbonylContact C-O 3.53Å; A129-V179 WeakPolarHBondContact CA-O 3.23Å; A129-I180 HydrophobicContact CB-CG1 4.18Å
130S95.6Very high94.4Very high5 Ų557.3 Ų57.34%0.03527%0.271CS..EExtended strand (participates in β ladder)trans-148.7150178.5610000112.1R132 Q142 N143 V179S130-R132 PolarHBondContact OG-NE 2.99Å; S130-Q142 CarbonylContact C-O 3.59Å; S130-Q142 VanDerWaalsContact CA-O 3.28Å; S130-Q142 WeakPolarHBondContact CA-O 3.38Å; S130-N143 VanDerWaalsContact CB-OD1 3.25Å; S130-N143 WeakPolarHBondContact CB-OD1 3.35Å; S130-V179 PolarHBondContact N-O 3.25Å; S130-V179 PolarHBondContact O-N 2.93Å
131F95.8Very high94.3Very high0 Ų056.2 Ų56.20%027%0.265CS..EExtended strand (participates in β ladder)trans-95.4137161.9-72.6-31.8000110.9I141 Q142 F144 F165 P167 F176 G177 L178 V201 I203F131-I141 PolarHBondContact O-N 2.86Å; F131-Q142 HydrophobicContact CB-CB 4.38Å; F131-Q142 PolarHBondContact N-O 3.22Å; F131-Q142 PolarHBondContact O-N 2.96Å; F131-F144 HydrophobicContact CD1-CE2 4.19Å; F131-F144 AromaticContact CD2-CE2 3.94Å; F131-F144 HydrophobicContact CD2-CE2 3.94Å; F131-F144 AromaticContact CD2-CZ 3.62Å; F131-F144 HydrophobicContact CD2-CZ 3.62Å; F131-F144 HydrophobicContact CE1-CE2 4.25Å; F131-F144 HydrophobicContact CE1-CZ 4.5Å; F131-F144 HydrophobicContact CE2-CE2 4.03Å; F131-F144 AromaticContact CE2-CZ 3.51Å; F131-F144 HydrophobicContact CE2-CZ 3.51Å; F131-F144 HydrophobicContact CG-CE2 4.02Å; F131-F144 HydrophobicContact CG-CZ 4.18Å; F131-F144 HydrophobicContact CZ-CE2 4.16Å; F131-F144 AromaticContact CZ-CZ 3.96Å; F131-F144 HydrophobicContact CZ-CZ 3.96Å; F131-F165 HydrophobicContact CE1-CE2 4.28Å; F131-F165 AromaticContact CZ-CE2 3.84Å; F131-F165 HydrophobicContact CZ-CE2 3.84Å; F131-P167 HydrophobicContact CE2-CB 3.94Å; F131-P167 HydrophobicContact CE2-CG 4.38Å; F131-P167 HydrophobicContact CZ-CB 4.23Å; F131-P167 HydrophobicContact CZ-CG 4.22Å; F131-F176 HydrophobicContact CB-CB 4.43Å; F131-F176 HydrophobicContact CD1-CB 4.16Å; F131-F176 HydrophobicContact CG-CB 4.27Å; F131-G177 CarbonylContact C-O 3.58Å; F131-G177 WeakPolarHBondContact CA-O 3.16Å; F131-L178 HydrophobicContact CD1-CB 4.19Å; F131-L178 HydrophobicContact CD1-CD1 3.95Å; F131-L178 HydrophobicContact CE1-CB 4.06Å; F131-L178 HydrophobicContact CE1-CD1 3.74Å; F131-L178 HydrophobicContact CE1-CG 4.34Å; F131-V201 HydrophobicContact CE1-CG2 4.26Å; F131-I203 HydrophobicContact CE1-CD1 4.22Å; F131-I203 HydrophobicContact CE2-CD1 4.08Å; F131-I203 HydrophobicContact CZ-CD1 3.52Å; F131-I203 HydrophobicContact CZ-CG1 4.42Å
132R95.2Very high94.2Very high32 Ų3255.6 Ų55.612%0.12126%0.26CS..EExtended strand (participates in β ladder)trans-134.7163.9-175.8-63.8171.9174.1-160.99110.4S130 F137 F139 Y140 G177S130-R132 PolarHBondContact OG-NE 2.99Å; R132-F137 WeakPolarHBondContact CD-O 3.11Å; R132-F137 PolarHBondContact NH1-O 2.88Å; R132-F139 VanDerWaalsContact CA-O 3.26Å; R132-F139 WeakPolarHBondContact CA-O 3.43Å; R132-F139 WeakPolarHBondContact CB-O 3.31Å; R132-Y140 HydrophobicContact CG-CD1 4.11Å; R132-Y140 PolarHBondContact NH2-OH 3.28Å; R132-G177 PolarHBondContact N-O 3.37Å; R132-G177 PolarHBondContact O-N 3.02Å
133Y95Very high94Very high125 Ų12560.4 Ų60.449%0.4929%0.286SS..  trans-65.1131.8175.8-75.7-88.2000110.3Q135 D136 F137 F139 I141Y133-Q135 PolarHBondContact O-N 2.94Å; Y133-D136 WeakPolarHBondContact CB-O 3.41Å; Y133-D136 CarbonylContact O-C 3.56Å; Y133-D136 PolarHBondContact O-N 3.18Å; Y133-F137 WeakPolarHBondContact O-CD2 3.37Å; Y133-F139 HydrophobicContact CD2-CB 3.51Å; Y133-F139 HydrophobicContact CE2-CB 4.11Å; Y133-F139 HydrophobicContact CG-CB 4.45Å; Y133-F139 PolarHBondContact N-O 2.65Å; Y133-F139 VanDerWaalsContact N-O 3.15Å; Y133-I141 HydrophobicContact CD1-CD1 3.97Å; Y133-I141 HydrophobicContact CD2-CD1 3.82Å; Y133-I141 HydrophobicContact CD2-CG1 3.58Å; Y133-I141 HydrophobicContact CE1-CD1 4.1Å; Y133-I141 HydrophobicContact CE1-CG1 4.38Å; Y133-I141 HydrophobicContact CE2-CD1 3.98Å; Y133-I141 HydrophobicContact CE2-CG1 3.45Å; Y133-I141 VanDerWaalsContact CE2-CG1 3.45Å; Y133-I141 HydrophobicContact CG-CD1 3.84Å; Y133-I141 HydrophobicContact CG-CG1 4.15Å
134P92.7Very high93.9Very high46 Ų4660 Ų6030%0.29928%0.282SS..SBendtrans-70-20.4-177.128.4-36.3000113.2T200P134-T200 HydrophobicContact CB-CG2 3.8Å
135Q92.8Very high93.8Very high196 Ų19666 Ų6692%0.91632%0.318SS*.SBendtrans-81-28.6174.8-67.6-177.4-26.900112.2Y133Y133-Q135 PolarHBondContact O-N 2.94Å
136D92.4Very high93.7Very high56 Ų5666.2 Ų66.230%0.29933%0.328SS..  trans-152.2108.8-177.4-171.5-14.4000110.6Y133 Q138 F139Y133-D136 WeakPolarHBondContact CB-O 3.41Å; Y133-D136 CarbonylContact O-C 3.56Å; Y133-D136 PolarHBondContact O-N 3.18Å; D136-Q138 PolarHBondContact O-N 3.48Å; D136-Q138 VanDerWaalsContact OD1-CB 3.32Å; D136-Q138 WeakPolarHBondContact OD1-CB 3.43Å; D136-Q138 WeakPolarHBondContact OD1-CG 3.29Å; D136-Q138 PolarHBondContact OD1-N 2.95Å; D136-F139 HydrophobicContact CB-CD2 4.05Å; D136-F139 HydrophobicContact CB-CE2 4.48Å; D136-F139 PolarHBondContact O-N 2.73Å; D136-F139 VanDerWaalsContact OD2-CE2 3.31Å; D136-F139 WeakPolarHBondContact OD2-CE2 3.14Å
137F89.7Confident93.7Very high46 Ų4668.5 Ų68.520%0.20234%0.339CS..THydrogen-bonded Turntrans-77.97.4-177.4-79.6-122.8000112.7R132 Y133 V179 N198R132-F137 WeakPolarHBondContact CD-O 3.11Å; R132-F137 PolarHBondContact NH1-O 2.88Å; Y133-F137 WeakPolarHBondContact O-CD2 3.37Å; F137-V179 HydrophobicContact CD1-CG2 3.43Å; F137-V179 VanDerWaalsContact CD1-CG2 3.43Å; F137-V179 HydrophobicContact CE1-CG2 3.75Å; F137-N198 WeakPolarHBondContact CD1-OD1 3.44Å; F137-N198 WeakPolarHBondContact CE1-OD1 3.25Å
138Q91.3Very high93.6Very high156 Ų15674.7 Ų74.773%0.72937%0.368SS*.THydrogen-bonded Turntrans-81.4-25.5171.2-62.6-175.3-10500112.1D136D136-Q138 PolarHBondContact O-N 3.48Å; D136-Q138 VanDerWaalsContact OD1-CB 3.32Å; D136-Q138 WeakPolarHBondContact OD1-CB 3.43Å; D136-Q138 WeakPolarHBondContact OD1-CG 3.29Å; D136-Q138 PolarHBondContact OD1-N 2.95Å
139F92Very high93.6Very high123 Ų12374.3 Ų74.354%0.53937%0.365SS..SBendtrans-95.1118.7-176.3-65.4-77.9000111.8R132 Y133 D136R132-F139 VanDerWaalsContact CA-O 3.26Å; R132-F139 WeakPolarHBondContact CA-O 3.43Å; R132-F139 WeakPolarHBondContact CB-O 3.31Å; Y133-F139 HydrophobicContact CD2-CB 3.51Å; Y133-F139 HydrophobicContact CE2-CB 4.11Å; Y133-F139 HydrophobicContact CG-CB 4.45Å; Y133-F139 PolarHBondContact N-O 2.65Å; Y133-F139 VanDerWaalsContact N-O 3.15Å; D136-F139 HydrophobicContact CB-CD2 4.05Å; D136-F139 HydrophobicContact CB-CE2 4.48Å; D136-F139 PolarHBondContact O-N 2.73Å; D136-F139 VanDerWaalsContact OD2-CE2 3.31Å; D136-F139 WeakPolarHBondContact OD2-CE2 3.14Å
140Y92.6Very high93.4Very high127 Ų12776.6 Ų76.650%0.49839%0.389SS..EExtended strand (participates in β ladder)trans-79.2137.4176.2-64-89000111.3R132 N143R132-Y140 HydrophobicContact CG-CD1 4.11Å; R132-Y140 PolarHBondContact NH2-OH 3.28Å; Y140-N143 WeakPolarHBondContact CD1-OD1 3.36Å; Y140-N143 WeakPolarHBondContact CE1-OD1 3.36Å
141I92.6Very high93.4Very high56 Ų5679.9 Ų79.929%0.28741%0.406SS..EExtended strand (participates in β ladder)trans-104.6-48.4172.3-64.7168.8000109F131 Y133 M171 F176F131-I141 PolarHBondContact O-N 2.86Å; Y133-I141 HydrophobicContact CD1-CD1 3.97Å; Y133-I141 HydrophobicContact CD2-CD1 3.82Å; Y133-I141 HydrophobicContact CD2-CG1 3.58Å; Y133-I141 HydrophobicContact CE1-CD1 4.1Å; Y133-I141 HydrophobicContact CE1-CG1 4.38Å; Y133-I141 HydrophobicContact CE2-CD1 3.98Å; Y133-I141 HydrophobicContact CE2-CG1 3.45Å; Y133-I141 VanDerWaalsContact CE2-CG1 3.45Å; Y133-I141 HydrophobicContact CG-CD1 3.84Å; Y133-I141 HydrophobicContact CG-CG1 4.15Å; I141-M171 HydrophobicContact CG2-SD 4.15Å; I141-F176 HydrophobicContact CD1-CD1 3.56Å; I141-F176 HydrophobicContact CD1-CE1 3.83Å; I141-F176 HydrophobicContact CG2-CE1 4.48Å
142Q92.5Very high93.4Very high57 Ų5783.8 Ų83.827%0.26643%0.429SS..EExtended strand (participates in β ladder)trans-146.7123.4-179.9-175.4176.94.500109.8S130 F131 F144S130-Q142 CarbonylContact C-O 3.59Å; S130-Q142 VanDerWaalsContact CA-O 3.28Å; S130-Q142 WeakPolarHBondContact CA-O 3.38Å; F131-Q142 HydrophobicContact CB-CB 4.38Å; F131-Q142 PolarHBondContact N-O 3.22Å; F131-Q142 PolarHBondContact O-N 2.96Å; Q142-F144 HydrophobicContact CG-CE1 4.26Å
143N93.4Very high93.5Very high105 Ų10582.4 Ų82.456%0.56142%0.424SS*.EExtended strand (participates in β ladder)trans-92.4126.9168-70.3-41.6000108.8S130 Y140S130-N143 VanDerWaalsContact CB-OD1 3.25Å; S130-N143 WeakPolarHBondContact CB-OD1 3.35Å; Y140-N143 WeakPolarHBondContact CD1-OD1 3.36Å; Y140-N143 WeakPolarHBondContact CE1-OD1 3.36Å
144F94.8Very high93.5Very high25 Ų2578.4 Ų78.411%0.1141%0.413CS..PPolyproline II helixtrans-83.1159.2171.7-61.4-68.5000110.1A129 F131 Q142 A146 Y163 F165 I166A129-F144 HydrophobicContact CB-CB 4.22Å; A129-F144 HydrophobicContact CB-CD2 3.9Å; A129-F144 WeakPolarHBondContact O-CB 3.34Å; A129-F144 WeakPolarHBondContact O-CD2 3.32Å; A129-F144 PolarHBondContact O-N 3.1Å; F131-F144 HydrophobicContact CD1-CE2 4.19Å; F131-F144 AromaticContact CD2-CE2 3.94Å; F131-F144 HydrophobicContact CD2-CE2 3.94Å; F131-F144 AromaticContact CD2-CZ 3.62Å; F131-F144 HydrophobicContact CD2-CZ 3.62Å; F131-F144 HydrophobicContact CE1-CE2 4.25Å; F131-F144 HydrophobicContact CE1-CZ 4.5Å; F131-F144 HydrophobicContact CE2-CE2 4.03Å; F131-F144 AromaticContact CE2-CZ 3.51Å; F131-F144 HydrophobicContact CE2-CZ 3.51Å; F131-F144 HydrophobicContact CG-CE2 4.02Å; F131-F144 HydrophobicContact CG-CZ 4.18Å; F131-F144 HydrophobicContact CZ-CE2 4.16Å; F131-F144 AromaticContact CZ-CZ 3.96Å; F131-F144 HydrophobicContact CZ-CZ 3.96Å; Q142-F144 HydrophobicContact CG-CE1 4.26Å; F144-A146 PolarHBondContact O-N 3.15Å; F144-Y163 VanDerWaalsContact CB-OH 3.29Å; F144-Y163 WeakPolarHBondContact CB-OH 3.35Å; F144-F165 HydrophobicContact CB-CB 4.35Å; F144-F165 HydrophobicContact CD1-CB 3.76Å; F144-F165 HydrophobicContact CD1-CD2 4.29Å; F144-F165 HydrophobicContact CD1-CG 4.38Å; F144-F165 HydrophobicContact CD2-CB 4.22Å; F144-F165 HydrophobicContact CD2-CD2 4.11Å; F144-F165 HydrophobicContact CD2-CG 4.18Å; F144-F165 HydrophobicContact CE1-CB 4.05Å; F144-F165 AromaticContact CE1-CD2 3.8Å; F144-F165 HydrophobicContact CE1-CD2 3.8Å; F144-F165 HydrophobicContact CE1-CG 4.33Å; F144-F165 HydrophobicContact CE2-CB 4.49Å; F144-F165 AromaticContact CE2-CD2 3.6Å; F144-F165 HydrophobicContact CE2-CD2 3.6Å; F144-F165 AromaticContact CE2-CE2 3.99Å; F144-F165 HydrophobicContact CE2-CE2 3.99Å; F144-F165 HydrophobicContact CE2-CG 4.13Å; F144-F165 HydrophobicContact CG-CB 3.84Å; F144-F165 HydrophobicContact CG-CD2 4.44Å; F144-F165 HydrophobicContact CG-CG 4.31Å; F144-F165 HydrophobicContact CZ-CB 4.41Å; F144-F165 AromaticContact CZ-CD2 3.41Å; F144-F165 HydrophobicContact CZ-CD2 3.41Å; F144-F165 VanDerWaalsContact CZ-CD2 3.41Å; F144-F165 AromaticContact CZ-CE2 3.99Å; F144-F165 HydrophobicContact CZ-CE2 3.99Å; F144-F165 HydrophobicContact CZ-CG 4.2Å; F144-I166 WeakPolarHBondContact CE1-O 3.49Å
145T94Very high93.7Very high125 Ų12578.1 Ų78.177%0.76742%0.415SS*.PPolyproline II helixtrans-60.4123.1179.1-52.10000110.4Y163T145-Y163 WeakPolarHBondContact O-CE2 3.48Å; T145-Y163 PolarHBondContact O-OH 2.9Å
146A93.7Very high93.8Very high49 Ų4971.9 Ų71.941%0.40540%0.403SS..PPolyproline II helixtrans-63.5134.8175.700000110.9L127 D128 F144L127-A146 CarbonylContact O-C 3.56Å; L127-A146 WeakPolarHBondContact O-CA 3.45Å; D128-A146 VanDerWaalsContact OD1-CB 3.27Å; D128-A146 WeakPolarHBondContact OD1-CB 3.15Å; F144-A146 PolarHBondContact O-N 3.15Å
147L94.4Very high93.9Very high58 Ų5877 Ų7730%0.30442%0.418SS..EExtended strand (participates in β ladder)trans-93.2106.6174.3177.364.2000109.4S126 L127 L149 Y163S126-L147 CarbonylContact C-O 3.46Å; S126-L147 VanDerWaalsContact CA-O 3.26Å; S126-L147 WeakPolarHBondContact CA-O 3.32Å; L127-L147 PolarHBondContact N-O 3.02Å; L127-L147 PolarHBondContact O-N 3.32Å; L147-L149 HydrophobicContact CD2-CD2 3.76Å; L147-L149 HydrophobicContact CD2-CG 4.37Å; L147-L149 HydrophobicContact CG-CD2 3.9Å; L147-L149 HydrophobicContact CG-CG 4.21Å; L147-L149 PolarHBondContact O-N 2.85Å; L147-Y163 HydrophobicContact CB-CD2 3.59Å; L147-Y163 HydrophobicContact CB-CE2 3.74Å; L147-Y163 HydrophobicContact CD2-CD2 3.9Å; L147-Y163 HydrophobicContact CG-CD2 4.35Å
148Q95.4Very high94.2Very high133 Ų13381.6 Ų81.662%0.62144%0.441SS*.EExtended strand (participates in β ladder)trans-77.1118.7173-15268.431.600110.1E125E125-Q148 PolarHBondContact O-NE2 3.06Å
149L93.1Very high94.4Very high37 Ų3775.1 Ų75.119%0.19441%0.414CS..EExtended strand (participates in β ladder)trans-100.6-54-177.3-67.6170000111.1M112 V124 E125 L147 I151 F161M112-L149 HydrophobicContact CE-CD1 4.19Å; V124-L149 HydrophobicContact CG1-CB 4.4Å; V124-L149 HydrophobicContact CG1-CD1 3.62Å; E125-L149 PolarHBondContact O-N 2.84Å; L147-L149 HydrophobicContact CD2-CD2 3.76Å; L147-L149 HydrophobicContact CD2-CG 4.37Å; L147-L149 HydrophobicContact CG-CD2 3.9Å; L147-L149 HydrophobicContact CG-CG 4.21Å; L147-L149 PolarHBondContact O-N 2.85Å; L149-I151 HydrophobicContact CB-CD1 4.38Å; L149-I151 HydrophobicContact CD2-CD1 4.37Å; L149-I151 WeakPolarHBondContact O-CG1 3.49Å; L149-I151 PolarHBondContact O-N 2.87Å; L149-F161 HydrophobicContact CD1-CB 4.13Å; L149-F161 HydrophobicContact CD1-CD1 3.59Å; L149-F161 HydrophobicContact CD1-CD2 4.02Å; L149-F161 HydrophobicContact CD1-CE1 3.89Å; L149-F161 HydrophobicContact CD1-CE2 4.27Å; L149-F161 HydrophobicContact CD1-CG 3.63Å; L149-F161 HydrophobicContact CD1-CZ 4.2Å; L149-F161 HydrophobicContact CD2-CB 4.34Å; L149-F161 HydrophobicContact CD2-CD1 3.61Å; L149-F161 HydrophobicContact CD2-CE1 4.23Å; L149-F161 HydrophobicContact CD2-CG 4.19Å; L149-F161 HydrophobicContact CG-CD1 4.15Å; L149-F161 HydrophobicContact CG-CE1 4.46Å
150G93.4Very high94.6Very high51 Ų5173.3 Ų73.353%0.52641%0.413SS..EExtended strand (participates in β ladder)trans59.128.9-176.900000114V124 E125V124-G150 CarbonylContact O-C 3.56Å; V124-G150 VanDerWaalsContact O-CA 3.27Å; V124-G150 WeakPolarHBondContact O-CA 3.27Å; V124-G150 PolarHBondContact O-N 2.86Å; E125-G150 PolarHBondContact O-N 2.97Å
151I94.5Very high94.8Very high75 Ų7567.9 Ų67.939%0.38539%0.392SS..EExtended strand (participates in β ladder)trans-97.8129.8-172-71.5164.7000110.5V123 V124 L149 F161V123-I151 WeakPolarHBondContact CA-O 3.48Å; V124-I151 PolarHBondContact N-O 3.28Å; V124-I151 PolarHBondContact O-N 2.79Å; L149-I151 HydrophobicContact CB-CD1 4.38Å; L149-I151 HydrophobicContact CD2-CD1 4.37Å; L149-I151 WeakPolarHBondContact O-CG1 3.49Å; L149-I151 PolarHBondContact O-N 2.87Å; I151-F161 HydrophobicContact CB-CE1 4.08Å; I151-F161 HydrophobicContact CB-CZ 4.5Å; I151-F161 HydrophobicContact CD1-CD1 4.12Å; I151-F161 HydrophobicContact CD1-CE1 3.61Å; I151-F161 HydrophobicContact CG1-CE1 4.42Å; I151-F161 HydrophobicContact CG2-CE1 4.18Å; I151-F161 HydrophobicContact CG2-CZ 4.46Å
152V96.3Very high94.9Very high81 Ų8170.1 Ų70.149%0.49140%0.401SS..EExtended strand (participates in β ladder)trans-83.2122.2175-173.10000109.9N121 F122 V123 P154N121-V152 HydrophobicContact CB-CG1 4.02Å; F122-V152 CarbonylContact O-C 3.57Å; F122-V152 WeakPolarHBondContact O-CA 3.48Å; V123-V152 HydrophobicContact CG2-CG2 4.13Å; V152-P154 WeakPolarHBondContact O-CD 3.29Å
153V96.6Very high95.1Very high3 Ų368.2 Ų68.22%0.01839%0.392CS..EExtended strand (participates in β ladder)trans-105.3107.1174.1-173.20000109.3F114 N116 F122 V124 R157 A159F114-V153 HydrophobicContact CD1-CB 4.02Å; F114-V153 HydrophobicContact CD1-CG1 3.97Å; F114-V153 HydrophobicContact CD1-CG2 3.87Å; F114-V153 HydrophobicContact CE1-CB 4.02Å; F114-V153 HydrophobicContact CE1-CG1 4.19Å; F114-V153 HydrophobicContact CE1-CG2 4.24Å; N116-V153 HydrophobicContact CB-CG1 3.96Å; N116-V153 PolarHBondContact ND2-O 2.76Å; F122-V153 PolarHBondContact N-O 3.33Å; F122-V153 VanDerWaalsContact N-O 3.13Å; F122-V153 PolarHBondContact O-N 2.9Å; V124-V153 HydrophobicContact CG2-CG2 3.91Å; V153-R157 HydrophobicContact CG1-CB 4.45Å; V153-A159 HydrophobicContact CG1-CB 4.44Å; V153-A159 HydrophobicContact CG2-CB 3.64Å
154P96.3Very high95.2Very high41 Ų4166 Ų6627%0.26639%0.385SS..  trans-64.2159.4-179.2-22.534.4000113.2N116 N121 V152 G156 R157N116-P154 PolarHBondContact ND2-O 3.31Å; N121-P154 VanDerWaalsContact OD1-CA 3.28Å; N121-P154 WeakPolarHBondContact OD1-CA 3.48Å; V152-P154 WeakPolarHBondContact O-CD 3.29Å; P154-G156 PolarHBondContact O-N 3.48Å; P154-R157 HydrophobicContact CB-CG 4.43Å; P154-R157 WeakPolarHBondContact O-CB 3.02Å; P154-R157 PolarHBondContact O-N 3.19Å; P154-R157 VanDerWaalsContact O-N 3.13Å
155A95.8Very high95.2Very high40 Ų4065.2 Ų65.233%0.33138%0.381SS..THydrogen-bonded Turntrans-50.4133.5173.200000112.6N116 G118 S119 N121 R157N116-A155 WeakPolarHBondContact ND2-CA 3.48Å; N116-A155 PolarHBondContact ND2-N 3.24Å; G118-A155 WeakPolarHBondContact O-CB 3.28Å; S119-A155 VanDerWaalsContact O-CB 3.26Å; S119-A155 WeakPolarHBondContact O-CB 3.25Å; N121-A155 PolarHBondContact OD1-N 2.79Å; A155-R157 PolarHBondContact O-N 2.9Å
156G94.4Very high95.2Very high65 Ų6563.3 Ų63.367%0.6737%0.365SS*.THydrogen-bonded Turntrans69.69.3179.500000115.3N116 P154N116-G156 WeakPolarHBondContact O-CA 3.47Å; N116-G156 PolarHBondContact O-N 3.48Å; P154-G156 PolarHBondContact O-N 3.48Å
157R96.1Very high95.2Very high163 Ų16361 Ų6162%0.61535%0.346SS*.  trans-108.3161.4175.6-69-167.7178.5159.81.4111.8N116 V153 P154 A155N116-R157 WeakPolarHBondContact CB-O 3.39Å; N116-R157 PolarHBondContact N-O 2.85Å; V153-R157 HydrophobicContact CG1-CB 4.45Å; P154-R157 HydrophobicContact CB-CG 4.43Å; P154-R157 WeakPolarHBondContact O-CB 3.02Å; P154-R157 PolarHBondContact O-N 3.19Å; P154-R157 VanDerWaalsContact O-N 3.13Å; A155-R157 PolarHBondContact O-N 2.9Å
158Q95.9Very high95Very high143 Ų14359.9 Ų59.967%0.66835%0.345SS*.EExtended strand (participates in β ladder)trans-117.2150.7171.368-175.147.800110.6F114 T115F114-Q158 CarbonylContact O-C 3.57Å; F114-Q158 WeakPolarHBondContact O-CA 3.22Å; F114-Q158 WeakPolarHBondContact O-CB 3.31Å; T115-Q158 HydrophobicContact CG2-CB 4.42Å
159A95.9Very high94.7Very high20 Ų2059.7 Ų59.717%0.16534%0.344CS..EExtended strand (participates in β ladder)trans-126.1156.4169.100000109.2G113 F114 V153 F161G113-A159 WeakPolarHBondContact CA-O 3.47Å; F114-A159 PolarHBondContact N-O 2.82Å; F114-A159 PolarHBondContact O-N 3.33Å; V153-A159 HydrophobicContact CG1-CB 4.44Å; V153-A159 HydrophobicContact CG2-CB 3.64Å; A159-F161 HydrophobicContact CB-CE1 4.2Å; A159-F161 HydrophobicContact CB-CE2 3.97Å; A159-F161 HydrophobicContact CB-CZ 3.6Å
160T96.1Very high94.6Very high85 Ų8562.4 Ų62.452%0.52136%0.364SS..EExtended strand (participates in β ladder)trans-134.5135.6176.8-530000108.6L111 M112L111-T160 HydrophobicContact CB-CG2 4.11Å; L111-T160 HydrophobicContact CD2-CG2 4.22Å; M112-T160 CarbonylContact O-C 3.19Å; M112-T160 VanDerWaalsContact O-CA 3.29Å; M112-T160 WeakPolarHBondContact O-CA 3.26Å
161F94.9Very high94.4Very high13 Ų1361.4 Ų61.46%0.05735%0.346CS..EExtended strand (participates in β ladder)trans-124.4134.7-176.5-46.4-80.3000108.8L111 M112 F114 V124 L149 I151 A159L111-F161 CarbonylContact C-O 3.54Å; L111-F161 WeakPolarHBondContact CA-O 3.36Å; M112-F161 HydrophobicContact CE-CB 3.82Å; M112-F161 HydrophobicContact CE-CD2 3.26Å; M112-F161 HydrophobicContact CE-CE2 4.06Å; M112-F161 HydrophobicContact CE-CG 3.85Å; M112-F161 PolarHBondContact N-O 3.02Å; M112-F161 PolarHBondContact O-N 3Å; M112-F161 HydrophobicContact SD-CD2 3.58Å; M112-F161 VanDerWaalsContact SD-CD2 3.58Å; M112-F161 HydrophobicContact SD-CE2 4.15Å; F114-F161 HydrophobicContact CB-CE2 3.99Å; V124-F161 HydrophobicContact CB-CE2 4.4Å; V124-F161 HydrophobicContact CB-CZ 4.02Å; V124-F161 HydrophobicContact CG1-CE2 4.07Å; V124-F161 HydrophobicContact CG1-CZ 4.07Å; V124-F161 HydrophobicContact CG2-CE2 4.14Å; V124-F161 HydrophobicContact CG2-CZ 3.95Å; L149-F161 HydrophobicContact CD1-CB 4.13Å; L149-F161 HydrophobicContact CD1-CD1 3.59Å; L149-F161 HydrophobicContact CD1-CD2 4.02Å; L149-F161 HydrophobicContact CD1-CE1 3.89Å; L149-F161 HydrophobicContact CD1-CE2 4.27Å; L149-F161 HydrophobicContact CD1-CG 3.63Å; L149-F161 HydrophobicContact CD1-CZ 4.2Å; L149-F161 HydrophobicContact CD2-CB 4.34Å; L149-F161 HydrophobicContact CD2-CD1 3.61Å; L149-F161 HydrophobicContact CD2-CE1 4.23Å; L149-F161 HydrophobicContact CD2-CG 4.19Å; L149-F161 HydrophobicContact CG-CD1 4.15Å; L149-F161 HydrophobicContact CG-CE1 4.46Å; I151-F161 HydrophobicContact CB-CE1 4.08Å; I151-F161 HydrophobicContact CB-CZ 4.5Å; I151-F161 HydrophobicContact CD1-CD1 4.12Å; I151-F161 HydrophobicContact CD1-CE1 3.61Å; I151-F161 HydrophobicContact CG1-CE1 4.42Å; I151-F161 HydrophobicContact CG2-CE1 4.18Å; I151-F161 HydrophobicContact CG2-CZ 4.46Å; A159-F161 HydrophobicContact CB-CE1 4.2Å; A159-F161 HydrophobicContact CB-CE2 3.97Å; A159-F161 HydrophobicContact CB-CZ 3.6Å
162E95.5Very high94.2Very high104 Ų10458.1 Ų58.149%0.48633%0.33SS..EExtended strand (participates in β ladder)trans-92.2131.3171.4-175.4179.3155.600108.6K109 L111K109-E162 WeakPolarHBondContact CD-OE1 3.49Å; K109-E162 IonicContact NZ-OE1 3.96Å; K109-E162 PolarHBondContact NZ-OE1 2.84Å; L111-E162 HydrophobicContact CD2-CB 3.84Å; L111-E162 HydrophobicContact CD2-CG 4.23Å
163Y96Very high93.9Very high16 Ų1656.7 Ų56.76%0.06333%0.332CS..EExtended strand (participates in β ladder)trans-130.3148.5170.7-176.5-94.7000109.9K109 F110 L127 A129 F144 T145 L147 F165K109-Y163 WeakPolarHBondContact CA-O 3.47Å; F110-Y163 HydrophobicContact CD1-CD1 4.35Å; F110-Y163 AromaticContact CE1-CD1 3.38Å; F110-Y163 HydrophobicContact CE1-CD1 3.38Å; F110-Y163 HydrophobicContact CE1-CE1 4.2Å; F110-Y163 HydrophobicContact CE1-CG 4.19Å; F110-Y163 HydrophobicContact CE2-CD1 4.4Å; F110-Y163 HydrophobicContact CE2-CG 4.47Å; F110-Y163 AromaticContact CZ-CD1 3.4Å; F110-Y163 HydrophobicContact CZ-CD1 3.4Å; F110-Y163 HydrophobicContact CZ-CE1 4.33Å; F110-Y163 AromaticContact CZ-CG 3.83Å; F110-Y163 HydrophobicContact CZ-CG 3.83Å; F110-Y163 PolarHBondContact N-O 2.87Å; F110-Y163 PolarHBondContact O-N 3.18Å; L127-Y163 HydrophobicContact CD2-CD1 3.77Å; L127-Y163 HydrophobicContact CD2-CD2 3.47Å; L127-Y163 VanDerWaalsContact CD2-CD2 3.47Å; L127-Y163 HydrophobicContact CD2-CE1 4.05Å; L127-Y163 HydrophobicContact CD2-CE2 3.79Å; L127-Y163 HydrophobicContact CD2-CG 3.44Å; L127-Y163 VanDerWaalsContact CD2-CG 3.44Å; A129-Y163 HydrophobicContact CB-CE1 3.78Å; F144-Y163 VanDerWaalsContact CB-OH 3.29Å; F144-Y163 WeakPolarHBondContact CB-OH 3.35Å; T145-Y163 WeakPolarHBondContact O-CE2 3.48Å; T145-Y163 PolarHBondContact O-OH 2.9Å; L147-Y163 HydrophobicContact CB-CD2 3.59Å; L147-Y163 HydrophobicContact CB-CE2 3.74Å; L147-Y163 HydrophobicContact CD2-CD2 3.9Å; L147-Y163 HydrophobicContact CG-CD2 4.35Å; Y163-F165 HydrophobicContact CD1-CD1 4.18Å; Y163-F165 HydrophobicContact CE1-CB 3.99Å; Y163-F165 AromaticContact CE1-CD1 3.95Å; Y163-F165 HydrophobicContact CE1-CD1 3.95Å; Y163-F165 HydrophobicContact CE1-CG 4.41Å
164S95.4Very high93.7Very high59 Ų5964 Ų6441%0.41336%0.359SS..EExtended strand (participates in β ladder)trans-141.4142.1178.866.50000111.5V108V108-S164 CarbonylContact O-C 3.59Å; V108-S164 WeakPolarHBondContact O-CA 2.88Å; V108-S164 WeakPolarHBondContact O-CB 3.01Å
165F94.9Very high93.6Very high9 Ų965 Ų654%0.03937%0.366CS..EExtended strand (participates in β ladder)trans-139.5165.3174.964.7-86.5000110.1F102 V108 F110 F131 F144 Y163 P167 L178F102-F165 HydrophobicContact CD1-CZ 4.22Å; F102-F165 HydrophobicContact CE1-CZ 4.26Å; V108-F165 HydrophobicContact CB-CE1 4.14Å; V108-F165 HydrophobicContact CB-CE2 4.15Å; V108-F165 HydrophobicContact CB-CZ 3.95Å; V108-F165 HydrophobicContact CG1-CE1 3.84Å; V108-F165 HydrophobicContact CG1-CE2 4.43Å; V108-F165 HydrophobicContact CG1-CZ 3.75Å; V108-F165 HydrophobicContact CG2-CE2 4.48Å; V108-F165 PolarHBondContact N-O 3.45Å; V108-F165 PolarHBondContact O-N 3.15Å; F110-F165 HydrophobicContact CD1-CD1 4.44Å; F110-F165 HydrophobicContact CD1-CE1 4.05Å; F110-F165 HydrophobicContact CE1-CD1 4.07Å; F110-F165 AromaticContact CE1-CE1 3.91Å; F110-F165 HydrophobicContact CE1-CE1 3.91Å; F131-F165 HydrophobicContact CE1-CE2 4.28Å; F131-F165 AromaticContact CZ-CE2 3.84Å; F131-F165 HydrophobicContact CZ-CE2 3.84Å; F144-F165 HydrophobicContact CB-CB 4.35Å; F144-F165 HydrophobicContact CD1-CB 3.76Å; F144-F165 HydrophobicContact CD1-CD2 4.29Å; F144-F165 HydrophobicContact CD1-CG 4.38Å; F144-F165 HydrophobicContact CD2-CB 4.22Å; F144-F165 HydrophobicContact CD2-CD2 4.11Å; F144-F165 HydrophobicContact CD2-CG 4.18Å; F144-F165 HydrophobicContact CE1-CB 4.05Å; F144-F165 AromaticContact CE1-CD2 3.8Å; F144-F165 HydrophobicContact CE1-CD2 3.8Å; F144-F165 HydrophobicContact CE1-CG 4.33Å; F144-F165 HydrophobicContact CE2-CB 4.49Å; F144-F165 AromaticContact CE2-CD2 3.6Å; F144-F165 HydrophobicContact CE2-CD2 3.6Å; F144-F165 AromaticContact CE2-CE2 3.99Å; F144-F165 HydrophobicContact CE2-CE2 3.99Å; F144-F165 HydrophobicContact CE2-CG 4.13Å; F144-F165 HydrophobicContact CG-CB 3.84Å; F144-F165 HydrophobicContact CG-CD2 4.44Å; F144-F165 HydrophobicContact CG-CG 4.31Å; F144-F165 HydrophobicContact CZ-CB 4.41Å; F144-F165 AromaticContact CZ-CD2 3.41Å; F144-F165 HydrophobicContact CZ-CD2 3.41Å; F144-F165 VanDerWaalsContact CZ-CD2 3.41Å; F144-F165 AromaticContact CZ-CE2 3.99Å; F144-F165 HydrophobicContact CZ-CE2 3.99Å; F144-F165 HydrophobicContact CZ-CG 4.2Å; Y163-F165 HydrophobicContact CD1-CD1 4.18Å; Y163-F165 HydrophobicContact CE1-CB 3.99Å; Y163-F165 AromaticContact CE1-CD1 3.95Å; Y163-F165 HydrophobicContact CE1-CD1 3.95Å; Y163-F165 HydrophobicContact CE1-CG 4.41Å; F165-P167 HydrophobicContact CD2-CG 4.31Å; F165-P167 HydrophobicContact CE2-CG 4.02Å; F165-L178 HydrophobicContact CZ-CD1 4.13Å; F165-L178 HydrophobicContact CZ-CD2 4.1Å
166I94.4Very high93.6Very high85 Ų8563.7 Ų63.744%0.43635%0.353SS..  trans-123.4111.8-179.2-59.4168.3000107.5I107 F144I107-I166 HydrophobicContact CB-CG1 4.49Å; I107-I166 HydrophobicContact CG1-CD1 4.03Å; I107-I166 HydrophobicContact CG1-CG1 3.88Å; F144-I166 WeakPolarHBondContact CE1-O 3.49Å
167P93.4Very high93.7Very high0 Ų060.6 Ų60.60%032%0.321CS..  trans-61.5134.3170-20.332.9000110.2N105 D106 V108 F131 F165 I203N105-P167 WeakPolarHBondContact CA-O 3.24Å; N105-P167 PolarHBondContact N-O 2.9Å; D106-P167 VanDerWaalsContact O-CD 3.32Å; D106-P167 WeakPolarHBondContact O-CD 3.29Å; V108-P167 HydrophobicContact CG2-CG 4.04Å; F131-P167 HydrophobicContact CE2-CB 3.94Å; F131-P167 HydrophobicContact CE2-CG 4.38Å; F131-P167 HydrophobicContact CZ-CB 4.23Å; F131-P167 HydrophobicContact CZ-CG 4.22Å; F165-P167 HydrophobicContact CD2-CG 4.31Å; F165-P167 HydrophobicContact CE2-CG 4.02Å; P167-I203 HydrophobicContact CB-CD1 4.17Å; P167-I203 HydrophobicContact CB-CG2 4.11Å; P167-I203 HydrophobicContact CG-CD1 4.25Å
168A90.3Very high93.6Very high34 Ų3452.9 Ų52.928%0.28129%0.292SS..  trans-65.6143.6177.400000111.2P170 M171A168-P170 VanDerWaalsContact C-CD 3.43Å; A168-P170 HydrophobicContact CB-CG 4.31Å; A168-M171 HydrophobicContact CB-CG 4.13Å; A168-M171 VanDerWaalsContact O-CB 3.24Å; A168-M171 WeakPolarHBondContact O-CB 3.22Å; A168-M171 WeakPolarHBondContact O-CG 3.44Å; A168-M171 PolarHBondContact O-N 3.2Å
169E90Very high93.6Very high129 Ų12946.1 Ų46.160%0.60326%0.261SS*.G310 helixtrans-47.9-46.6177.7-167.9178.2168.100115.3N105 M171 G172N105-E169 HydrophobicContact CB-CB 4.34Å; E169-M171 PolarHBondContact O-N 2.89Å; E169-G172 PolarHBondContact O-N 3.45Å
170P89.8Confident93.6Very high94 Ų9445.2 Ų45.261%0.6125%0.253SS*.G310 helixtrans-68.5-4.6-17929-38.2000114.4A168 G172A168-P170 VanDerWaalsContact C-CD 3.43Å; A168-P170 HydrophobicContact CB-CG 4.31Å; P170-G172 VanDerWaalsContact C-N 3.31Å
171M89.3Confident93.6Very high31 Ų3141.8 Ų41.815%0.15323%0.231CC..G310 helixtrans-83.8-9.6174.1-55.5-70.988.600111.9I141 A168 E169 R174 F176 I203I141-M171 HydrophobicContact CG2-SD 4.15Å; A168-M171 HydrophobicContact CB-CG 4.13Å; A168-M171 VanDerWaalsContact O-CB 3.24Å; A168-M171 WeakPolarHBondContact O-CB 3.22Å; A168-M171 WeakPolarHBondContact O-CG 3.44Å; A168-M171 PolarHBondContact O-N 3.2Å; E169-M171 PolarHBondContact O-N 2.89Å; M171-R174 PolarHBondContact O-N 3.41Å; M171-F176 HydrophobicContact CB-CD2 4.44Å; M171-F176 HydrophobicContact CB-CE2 3.63Å; M171-F176 HydrophobicContact CB-CZ 3.85Å; M171-F176 HydrophobicContact CE-CE1 4.32Å; M171-F176 HydrophobicContact CE-CZ 3.92Å; M171-F176 HydrophobicContact CG-CE2 4.31Å; M171-F176 HydrophobicContact CG-CZ 4.11Å; M171-F176 VanDerWaalsContact O-CE2 3.27Å; M171-F176 WeakPolarHBondContact O-CE2 3.2Å; M171-F176 HydrophobicContact SD-CD1 4.31Å; M171-F176 HydrophobicContact SD-CE1 3.44Å; M171-F176 WeakPolarHBondContact SD-CE1 3.39Å; M171-F176 HydrophobicContact SD-CE2 3.97Å; M171-F176 HydrophobicContact SD-CZ 3.22Å; M171-F176 WeakPolarHBondContact SD-CZ 3.26Å; M171-I203 HydrophobicContact CB-CG1 4.39Å; M171-I203 HydrophobicContact CB-CG2 4.41Å; M171-I203 WeakPolarHBondContact O-CB 3.18Å
172G91.5Very high93.6Very high5 Ų541.2 Ų41.25%0.05223%0.229CC..THydrogen-bonded Turntrans-51.3140.6175.200000113.6E169 P170 R174 E205E169-G172 PolarHBondContact O-N 3.45Å; P170-G172 VanDerWaalsContact C-N 3.31Å; G172-R174 VanDerWaalsContact C-N 3.28Å; G172-R174 PolarHBondContact O-N 3.38Å; G172-E205 VanDerWaalsContact CA-CG 3.44Å
173G90.1Very high93.7Very high51 Ų5137.5 Ų37.553%0.52621%0.212SC..THydrogen-bonded Turntrans80.20.1172.600000115.1I203G173-I203 WeakPolarHBondContact CA-O 3.4Å; G173-I203 PolarHBondContact N-O 2.93Å
174R92.1Very high93.7Very high156 Ų15636.7 Ų36.759%0.58921%0.209SC*.SBendtrans-119.5149.3-175.5-58.9178.9-167.3-1673.8112.4M171 G172 F176 I203M171-R174 PolarHBondContact O-N 3.41Å; G172-R174 VanDerWaalsContact C-N 3.28Å; G172-R174 PolarHBondContact O-N 3.38Å; R174-F176 HydrophobicContact CB-CD2 4.45Å; R174-F176 HydrophobicContact CB-CE2 3.58Å; R174-F176 HydrophobicContact CB-CZ 3.81Å; R174-F176 WeakPolarHBondContact O-CD2 3.45Å; R174-F176 WeakPolarHBondContact O-CE2 3.36Å; R174-I203 PolarHBondContact O-N 2.9Å; R174-I203 VanDerWaalsContact O-N 3.09Å
175P94.9Very high93.7Very high63 Ų6337.1 Ų37.141%0.40920%0.204SC..EExtended strand (participates in β ladder)trans-82.2138.1171.332.6-32.7000111.4T200 V201P175-T200 HydrophobicContact CB-CG2 3.75Å; P175-V201 CarbonylContact C-O 3.54Å; P175-V201 WeakPolarHBondContact CA-O 3.29Å
176F95.2Very high93.6Very high13 Ų1338 Ų386%0.05721%0.208CC..EExtended strand (participates in β ladder)trans-131.4148.4174.9-63.8-85.4000110.7F131 I141 M171 R174 L178 T200 V201 I203F131-F176 HydrophobicContact CB-CB 4.43Å; F131-F176 HydrophobicContact CD1-CB 4.16Å; F131-F176 HydrophobicContact CG-CB 4.27Å; I141-F176 HydrophobicContact CD1-CD1 3.56Å; I141-F176 HydrophobicContact CD1-CE1 3.83Å; I141-F176 HydrophobicContact CG2-CE1 4.48Å; M171-F176 HydrophobicContact CB-CD2 4.44Å; M171-F176 HydrophobicContact CB-CE2 3.63Å; M171-F176 HydrophobicContact CB-CZ 3.85Å; M171-F176 HydrophobicContact CE-CE1 4.32Å; M171-F176 HydrophobicContact CE-CZ 3.92Å; M171-F176 HydrophobicContact CG-CE2 4.31Å; M171-F176 HydrophobicContact CG-CZ 4.11Å; M171-F176 VanDerWaalsContact O-CE2 3.27Å; M171-F176 WeakPolarHBondContact O-CE2 3.2Å; M171-F176 HydrophobicContact SD-CD1 4.31Å; M171-F176 HydrophobicContact SD-CE1 3.44Å; M171-F176 WeakPolarHBondContact SD-CE1 3.39Å; M171-F176 HydrophobicContact SD-CE2 3.97Å; M171-F176 HydrophobicContact SD-CZ 3.22Å; M171-F176 WeakPolarHBondContact SD-CZ 3.26Å; R174-F176 HydrophobicContact CB-CD2 4.45Å; R174-F176 HydrophobicContact CB-CE2 3.58Å; R174-F176 HydrophobicContact CB-CZ 3.81Å; R174-F176 WeakPolarHBondContact O-CD2 3.45Å; R174-F176 WeakPolarHBondContact O-CE2 3.36Å; F176-L178 PolarHBondContact O-N 3.46Å; F176-T200 CarbonylContact O-C 3.12Å; F176-T200 VanDerWaalsContact O-CA 3.28Å; F176-T200 WeakPolarHBondContact O-CA 3.32Å; F176-V201 PolarHBondContact N-O 3.05Å; F176-V201 PolarHBondContact O-N 3.06Å; F176-I203 HydrophobicContact CD2-CG1 3.62Å; F176-I203 HydrophobicContact CE2-CG1 4.03Å
177G95.7Very high93.4Very high0 Ų037.3 Ų37.30%021%0.211CC..EExtended strand (participates in β ladder)trans-73.5112.2167.300000109.7F131 R132F131-G177 CarbonylContact C-O 3.58Å; F131-G177 WeakPolarHBondContact CA-O 3.16Å; R132-G177 PolarHBondContact N-O 3.37Å; R132-G177 PolarHBondContact O-N 3.02Å
178L95.4Very high93.2Very high0 Ų043.3 Ų43.30%024%0.244CC..EExtended strand (participates in β ladder)trans-91.8119.7171174.661000108.6F96 F102 F131 F165 F176 I180 F197 N198 Q199 V201F96-L178 HydrophobicContact CE1-CD2 4.32Å; F96-L178 HydrophobicContact CZ-CD2 4.05Å; F102-L178 HydrophobicContact CE1-CD2 3.77Å; F102-L178 HydrophobicContact CZ-CD2 4.14Å; F131-L178 HydrophobicContact CD1-CB 4.19Å; F131-L178 HydrophobicContact CD1-CD1 3.95Å; F131-L178 HydrophobicContact CE1-CB 4.06Å; F131-L178 HydrophobicContact CE1-CD1 3.74Å; F131-L178 HydrophobicContact CE1-CG 4.34Å; F165-L178 HydrophobicContact CZ-CD1 4.13Å; F165-L178 HydrophobicContact CZ-CD2 4.1Å; F176-L178 PolarHBondContact O-N 3.46Å; L178-I180 HydrophobicContact CD1-CD1 4.46Å; L178-I180 HydrophobicContact CD1-CG1 4.15Å; L178-I180 HydrophobicContact CD2-CD1 4.24Å; L178-I180 HydrophobicContact CG-CD1 4.33Å; L178-I180 HydrophobicContact CG-CG1 4.28Å; L178-F197 HydrophobicContact CB-CD1 4.17Å; L178-F197 HydrophobicContact CB-CE1 4.02Å; L178-F197 HydrophobicContact CD2-CD1 3.9Å; L178-F197 HydrophobicContact CD2-CE1 3.79Å; L178-F197 HydrophobicContact CG-CD1 3.83Å; L178-F197 HydrophobicContact CG-CE1 4.01Å; L178-F197 WeakPolarHBondContact O-CD1 3.23Å; L178-N198 WeakPolarHBondContact O-CA 3.37Å; L178-Q199 PolarHBondContact N-O 3.28Å; L178-Q199 PolarHBondContact O-N 2.91Å; L178-V201 HydrophobicContact CB-CG1 4.2Å; L178-V201 HydrophobicContact CB-CG2 3.73Å; L178-V201 HydrophobicContact CD2-CG1 4.33Å; L178-V201 HydrophobicContact CD2-CG2 4.32Å
179V95.7Very high93.1Very high2 Ų243.9 Ų43.91%0.01225%0.253CS..EExtended strand (participates in β ladder)trans-117.9125174.6179.60000109.4A129 S130 F137 N181 F197A129-V179 CarbonylContact C-O 3.53Å; A129-V179 WeakPolarHBondContact CA-O 3.23Å; S130-V179 PolarHBondContact N-O 3.25Å; S130-V179 PolarHBondContact O-N 2.93Å; F137-V179 HydrophobicContact CD1-CG2 3.43Å; F137-V179 VanDerWaalsContact CD1-CG2 3.43Å; F137-V179 HydrophobicContact CE1-CG2 3.75Å; V179-N181 WeakPolarHBondContact CG1-OD1 3.47Å; V179-F197 CarbonylContact C-O 3.51Å; V179-F197 VanDerWaalsContact CA-O 3.29Å; V179-F197 WeakPolarHBondContact CA-O 3.48Å
180I95.8Very high93.2Very high0 Ų042 Ų420%025%0.246CC..EExtended strand (participates in β ladder)trans-120117.6174.4-59.2166.8000107.1I94 F96 F110 L127 D128 A129 L178 A195 V196 F197I94-I180 HydrophobicContact CD1-CD1 3.43Å; I94-I180 VanDerWaalsContact CD1-CD1 3.43Å; F96-I180 HydrophobicContact CE1-CD1 4.46Å; F96-I180 HydrophobicContact CZ-CD1 4.17Å; F110-I180 HydrophobicContact CD1-CD1 4.01Å; F110-I180 HydrophobicContact CE1-CD1 3.47Å; F110-I180 VanDerWaalsContact CE1-CD1 3.47Å; F110-I180 HydrophobicContact CE1-CG1 4.27Å; F110-I180 HydrophobicContact CE2-CD1 4.3Å; F110-I180 HydrophobicContact CE2-CG2 4.17Å; F110-I180 HydrophobicContact CZ-CD1 3.65Å; F110-I180 HydrophobicContact CZ-CG1 4.21Å; F110-I180 HydrophobicContact CZ-CG2 3.78Å; L127-I180 HydrophobicContact CD1-CG2 3.86Å; L127-I180 HydrophobicContact CD2-CG2 4.32Å; L127-I180 HydrophobicContact CG-CG2 4.14Å; D128-I180 CarbonylContact O-C 3.6Å; D128-I180 WeakPolarHBondContact O-CA 3.4Å; A129-I180 HydrophobicContact CB-CG1 4.18Å; L178-I180 HydrophobicContact CD1-CD1 4.46Å; L178-I180 HydrophobicContact CD1-CG1 4.15Å; L178-I180 HydrophobicContact CD2-CD1 4.24Å; L178-I180 HydrophobicContact CG-CD1 4.33Å; L178-I180 HydrophobicContact CG-CG1 4.28Å; I180-A195 CarbonylContact O-C 3.55Å; I180-V196 PolarHBondContact O-N 2.87Å; I180-F197 HydrophobicContact CB-CB 3.99Å; I180-F197 HydrophobicContact CD1-CB 3.93Å; I180-F197 HydrophobicContact CD1-CD1 4.46Å; I180-F197 HydrophobicContact CD1-CG 4.41Å; I180-F197 HydrophobicContact CG1-CB 4.19Å; I180-F197 PolarHBondContact N-O 3.19Å; I180-F197 PolarHBondContact O-N 3.18Å
181N95.4Very high93.4Very high14 Ų1442.5 Ų42.58%0.07524%0.244CC..EExtended strand (participates in β ladder)trans-110.7139.3179.7-65.3-39.9000109.9L127 D128 V179 Q193 D194 A195L127-N181 WeakPolarHBondContact CA-O 3.32Å; D128-N181 PolarHBondContact N-O 2.82Å; D128-N181 PolarHBondContact O-N 2.9Å; V179-N181 WeakPolarHBondContact CG1-OD1 3.47Å; N181-Q193 HydrophobicContact CB-CG 4.27Å; N181-Q193 VanDerWaalsContact CG-NE2 3.33Å; N181-Q193 PolarHBondContact ND2-NE2 3.48Å; N181-D194 CarbonylContact C-O 3.55Å; N181-D194 WeakPolarHBondContact CA-O 3.31Å; N181-A195 WeakPolarHBondContact OD1-CA 3.42Å
182L95.9Very high93.7Very high0 Ų043.2 Ų43.20%025%0.246CC..EExtended strand (participates in β ladder)trans-111.7120.7171.3-176.564.4000109.3T92 M112 F114 V124 L127 Y184 Q193 D194 V196T92-L182 HydrophobicContact CG2-CD2 3.9Å; M112-L182 HydrophobicContact CE-CD1 3.34Å; M112-L182 HydrophobicContact CE-CD2 4.3Å; M112-L182 HydrophobicContact CE-CG 4.37Å; M112-L182 HydrophobicContact SD-CD1 3.87Å; M112-L182 HydrophobicContact SD-CD2 3.64Å; M112-L182 HydrophobicContact SD-CG 4.29Å; F114-L182 HydrophobicContact CB-CD2 4.47Å; F114-L182 HydrophobicContact CD2-CD2 3.51Å; F114-L182 HydrophobicContact CE2-CD2 4.18Å; F114-L182 HydrophobicContact CG-CD2 4.37Å; V124-L182 HydrophobicContact CG1-CD1 3.5Å; V124-L182 HydrophobicContact CG1-CG 4.27Å; L127-L182 HydrophobicContact CB-CD1 4.32Å; L182-Y184 HydrophobicContact CD2-CD1 4.34Å; L182-Y184 HydrophobicContact CG-CD1 4.19Å; L182-Q193 WeakPolarHBondContact O-CA 3.39Å; L182-D194 PolarHBondContact N-O 2.83Å; L182-D194 PolarHBondContact O-N 3.46Å; L182-V196 HydrophobicContact CB-CG2 3.82Å
183N95.9Very high93.9Very high26 Ų2645.7 Ų45.714%0.13926%0.256CS..EExtended strand (participates in β ladder)trans-101.4127.3176.4-55.8-34.4000109.3E125 S126 D128 Q193E125-N183 PolarHBondContact N-O 2.87Å; S126-N183 PolarHBondContact N-O 2.76Å; S126-N183 PolarHBondContact O-N 3.49Å; S126-N183 PolarHBondContact OG-ND2 3Å; D128-N183 PolarHBondContact OD2-ND2 3.18Å; N183-Q193 VanDerWaalsContact OD1-CG 3.26Å; N183-Q193 WeakPolarHBondContact OD1-CG 3.25Å
184Y96Very high94.1Very high0 Ų044.8 Ų44.80%024%0.24CC..EExtended strand (participates in β ladder)trans-149.8157.5-179.361.3-79.4000110.2S87 A90 F114 F122 V123 L182 F192 D194S87-Y184 PolarHBondContact N-OH 2.86Å; A90-Y184 HydrophobicContact CB-CE2 3.74Å; A90-Y184 WeakPolarHBondContact CB-OH 3.27Å; F114-Y184 HydrophobicContact CE2-CD1 4.13Å; F114-Y184 AromaticContact CE2-CD2 3.92Å; F114-Y184 HydrophobicContact CE2-CD2 3.92Å; F114-Y184 HydrophobicContact CE2-CE1 4.24Å; F114-Y184 AromaticContact CE2-CE2 3.99Å; F114-Y184 HydrophobicContact CE2-CE2 3.99Å; F114-Y184 AromaticContact CE2-CG 3.98Å; F114-Y184 HydrophobicContact CE2-CG 3.98Å; F114-Y184 AromaticContact CZ-CD2 3.94Å; F114-Y184 HydrophobicContact CZ-CD2 3.94Å; F114-Y184 HydrophobicContact CZ-CE2 4.13Å; F114-Y184 HydrophobicContact CZ-CG 4.33Å; F122-Y184 HydrophobicContact CB-CD2 4.47Å; F122-Y184 AromaticContact CD1-CD2 3.75Å; F122-Y184 HydrophobicContact CD1-CD2 3.75Å; F122-Y184 HydrophobicContact CD1-CE2 4.06Å; F122-Y184 HydrophobicContact CE1-CD2 4.24Å; F122-Y184 HydrophobicContact CE1-CE2 4.1Å; F122-Y184 HydrophobicContact CG-CD2 4.17Å; V123-Y184 CarbonylContact O-C 3.53Å; V123-Y184 WeakPolarHBondContact O-CA 3.33Å; V123-Y184 WeakPolarHBondContact O-CB 3.36Å; L182-Y184 HydrophobicContact CD2-CD1 4.34Å; L182-Y184 HydrophobicContact CG-CD1 4.19Å; Y184-F192 HydrophobicContact CD1-CB 4.34Å; Y184-F192 HydrophobicContact CD2-CB 4Å; Y184-F192 HydrophobicContact CD2-CD2 4.46Å; Y184-F192 HydrophobicContact CE1-CB 3.92Å; Y184-F192 HydrophobicContact CE2-CB 3.57Å; Y184-F192 HydrophobicContact CE2-CD2 4.21Å; Y184-F192 HydrophobicContact CE2-CG 4.13Å; Y184-F192 HydrophobicContact CG-CB 4.37Å; Y184-F192 PolarHBondContact N-O 3.02Å; Y184-F192 WeakPolarHBondContact O-CA 3.22Å; Y184-F192 PolarHBondContact O-N 3.39Å; Y184-D194 HydrophobicContact CE1-CB 4.08Å
185K95.4Very high94.2Very high68 Ų6839.8 Ų39.830%0.29623%0.231SC..EExtended strand (participates in β ladder)trans-128.3152178.264.4-178.7174.8-154.90112.2F122 V123 E125 N190 L191F122-K185 CarbonylContact C-O 3.55Å; F122-K185 WeakPolarHBondContact CA-O 3.39Å; V123-K185 HydrophobicContact CB-CG 3.92Å; V123-K185 HydrophobicContact CG2-CG 4.48Å; V123-K185 PolarHBondContact N-O 2.69Å; V123-K185 PolarHBondContact O-N 2.95Å; E125-K185 HydrophobicContact CG-CD 4.42Å; E125-K185 HydrophobicContact CG-CG 4.28Å; E125-K185 WeakPolarHBondContact OE1-CD 3.39Å; E125-K185 WeakPolarHBondContact OE1-CE 3.48Å; E125-K185 IonicContact OE1-NZ 2.64Å; E125-K185 PolarHBondContact OE1-NZ 2.82Å; K185-N190 WeakPolarHBondContact CA-O 3.45Å; K185-N190 WeakPolarHBondContact CB-O 3.48Å; K185-L191 HydrophobicContact CB-CD2 4.26Å
186D93.9Very high94.2Very high26 Ų2637.9 Ų37.914%0.13922%0.218CC..EExtended strand (participates in β ladder)trans-80.4170.7171.2-165.98000111.1D120 F122 N188 G189 N190 F192D120-D186 WeakPolarHBondContact CB-OD1 3.48Å; F122-D186 HydrophobicContact CD1-CB 4.05Å; F122-D186 HydrophobicContact CE1-CB 3.79Å; D186-N188 PolarHBondContact O-N 3.5Å; D186-N188 VanDerWaalsContact O-N 3.07Å; D186-G189 PolarHBondContact O-N 2.81Å; D186-N190 PolarHBondContact N-O 2.81Å; D186-N190 VanDerWaalsContact N-O 3.1Å; D186-F192 HydrophobicContact CB-CE2 3.89Å
187S89.8Confident94.1Very high71 Ų7138.3 Ų38.350%0.49722%0.22SC..THydrogen-bonded Turntrans-56.3-22.4175-63.60000113.1N121 G189N121-S187 PolarHBondContact N-OG 2.99Å; N121-S187 PolarHBondContact O-N 2.83Å; N121-S187 PolarHBondContact O-OG 3.18Å; S187-G189 VanDerWaalsContact C-N 3.33Å
188N89Confident94.1Very high127 Ų12742.3 Ų42.368%0.67924%0.242SC*.THydrogen-bonded Turntrans-85.8-1.3177.2-64.29.5000113.5D186 N190D186-N188 PolarHBondContact O-N 3.5Å; D186-N188 VanDerWaalsContact O-N 3.07Å; N188-N190 VanDerWaalsContact C-N 3.32Å
189G88.9Confident94Very high46 Ų4648 Ų4847%0.47427%0.268SS..  trans81.36.2-178.700000114.9D186 S187 L191D186-G189 PolarHBondContact O-N 2.81Å; S187-G189 VanDerWaalsContact C-N 3.33Å; G189-L191 PolarHBondContact O-N 3.29Å
190N91.8Very high93.9Very high88 Ų8851.3 Ų51.347%0.47129%0.289SS..  trans-70.4123.8174.2-63.1-35.1000109.8K185 D186 N188 F192K185-N190 WeakPolarHBondContact CA-O 3.45Å; K185-N190 WeakPolarHBondContact CB-O 3.48Å; D186-N190 PolarHBondContact N-O 2.81Å; D186-N190 VanDerWaalsContact N-O 3.1Å; N188-N190 VanDerWaalsContact C-N 3.32Å; N190-F192 HydrophobicContact CB-CE2 3.82Å; N190-F192 HydrophobicContact CB-CZ 4Å; N190-F192 WeakPolarHBondContact O-CD2 3.27Å; N190-F192 WeakPolarHBondContact O-CE2 3.35Å
191L93.8Very high93.8Very high106 Ų10651.9 Ų51.956%0.55529%0.292SS*.EExtended strand (participates in β ladder)trans-78.2137.1175.6-68.1162.5000110.2V84 E125 K185 G189V84-L191 HydrophobicContact CG1-CB 4.46Å; V84-L191 WeakPolarHBondContact CG1-O 3.28Å; E125-L191 VanDerWaalsContact OE2-CD2 3.31Å; E125-L191 WeakPolarHBondContact OE2-CD2 3.45Å; K185-L191 HydrophobicContact CB-CD2 4.26Å; G189-L191 PolarHBondContact O-N 3.29Å
192F95.1Very high93.8Very high45 Ų4555.1 Ų55.120%0.19731%0.313CS..EExtended strand (participates in β ladder)trans-130.5145.5173.8-61.8-77.3000108.6V84 K85 F122 Y184 D186 N190V84-F192 VanDerWaalsContact CG1-C 3.5Å; V84-F192 VanDerWaalsContact CG1-CA 3.45Å; K85-F192 WeakPolarHBondContact O-CD1 3.49Å; F122-F192 HydrophobicContact CE1-CD2 4.29Å; F122-F192 HydrophobicContact CE1-CE2 4.31Å; Y184-F192 HydrophobicContact CD1-CB 4.34Å; Y184-F192 HydrophobicContact CD2-CB 4Å; Y184-F192 HydrophobicContact CD2-CD2 4.46Å; Y184-F192 HydrophobicContact CE1-CB 3.92Å; Y184-F192 HydrophobicContact CE2-CB 3.57Å; Y184-F192 HydrophobicContact CE2-CD2 4.21Å; Y184-F192 HydrophobicContact CE2-CG 4.13Å; Y184-F192 HydrophobicContact CG-CB 4.37Å; Y184-F192 PolarHBondContact N-O 3.02Å; Y184-F192 WeakPolarHBondContact O-CA 3.22Å; Y184-F192 PolarHBondContact O-N 3.39Å; D186-F192 HydrophobicContact CB-CE2 3.89Å; N190-F192 HydrophobicContact CB-CE2 3.82Å; N190-F192 HydrophobicContact CB-CZ 4Å; N190-F192 WeakPolarHBondContact O-CD2 3.27Å; N190-F192 WeakPolarHBondContact O-CE2 3.35Å
193Q95.4Very high93.7Very high57 Ų5755.1 Ų55.127%0.26631%0.313SS..EExtended strand (participates in β ladder)trans-135.2129180178173.4-11.600107.8V84 K85 A86 N181 L182 N183V84-Q193 HydrophobicContact CB-CB 3.93Å; V84-Q193 HydrophobicContact CG1-CB 3.7Å; V84-Q193 VanDerWaalsContact CG1-N 3.31Å; K85-Q193 CarbonylContact C-O 3.52Å; A86-Q193 WeakPolarHBondContact CA-O 3.45Å; A86-Q193 PolarHBondContact N-O 3.09Å; N181-Q193 HydrophobicContact CB-CG 4.27Å; N181-Q193 VanDerWaalsContact CG-NE2 3.33Å; N181-Q193 PolarHBondContact ND2-NE2 3.48Å; L182-Q193 WeakPolarHBondContact O-CA 3.39Å; N183-Q193 VanDerWaalsContact OD1-CG 3.26Å; N183-Q193 WeakPolarHBondContact OD1-CG 3.25Å
194D95Very high93.5Very high33 Ų3356.6 Ų56.618%0.17632%0.323CS..EExtended strand (participates in β ladder)trans-119.9127.2177.5-169.117.1000110.4A86 T92 N181 L182 Y184 V196A86-D194 HydrophobicContact CB-CB 3.81Å; T92-D194 WeakPolarHBondContact CB-OD2 3.35Å; T92-D194 HydrophobicContact CG2-CB 4.32Å; T92-D194 WeakPolarHBondContact CG2-OD2 3.2Å; T92-D194 PolarHBondContact OG1-OD2 2.97Å; N181-D194 CarbonylContact C-O 3.55Å; N181-D194 WeakPolarHBondContact CA-O 3.31Å; L182-D194 PolarHBondContact N-O 2.83Å; L182-D194 PolarHBondContact O-N 3.46Å; Y184-D194 HydrophobicContact CE1-CB 4.08Å; D194-V196 VanDerWaalsContact C-N 3.26Å; D194-V196 HydrophobicContact CB-CG2 4.49Å; D194-V196 PolarHBondContact O-N 3.28Å
195A94.2Very high93.2Very high50 Ų5062.9 Ų62.941%0.41335%0.352SS..EExtended strand (participates in β ladder)trans-84.973.6176.300000109I180 N181 F197I180-A195 CarbonylContact O-C 3.55Å; N181-A195 WeakPolarHBondContact OD1-CA 3.42Å; A195-F197 PolarHBondContact O-N 3.28Å; A195-F197 VanDerWaalsContact O-N 3.15Å
196V94.4Very high92.3Very high23 Ų2366.5 Ų66.514%0.13936%0.364CS..EExtended strand (participates in β ladder)trans-54.9-35.8-173.8-171.30000111.8T92 I94 I180 L182 D194T92-V196 HydrophobicContact CG2-CG2 4.16Å; I94-V196 HydrophobicContact CB-CG1 3.86Å; I94-V196 HydrophobicContact CG2-CG1 4.16Å; I180-V196 PolarHBondContact O-N 2.87Å; L182-V196 HydrophobicContact CB-CG2 3.82Å; D194-V196 VanDerWaalsContact C-N 3.26Å; D194-V196 HydrophobicContact CB-CG2 4.49Å; D194-V196 PolarHBondContact O-N 3.28Å
197F94.7Very high91.2Very high23 Ų2374 Ų7410%0.10140%0.398CS..EExtended strand (participates in β ladder)trans-136.2128.3173.9-165.6-96.6000109.6I94 F96 L178 V179 I180 A195 Q199 V201I94-F197 HydrophobicContact CD1-CB 4.02Å; I94-F197 HydrophobicContact CD1-CG 4.47Å; I94-F197 HydrophobicContact CG2-CD2 4.1Å; F96-F197 AromaticContact CE2-CD2 3.97Å; F96-F197 HydrophobicContact CE2-CD2 3.97Å; F96-F197 AromaticContact CE2-CE2 3.72Å; F96-F197 HydrophobicContact CE2-CE2 3.72Å; F96-F197 HydrophobicContact CE2-CG 4.47Å; F96-F197 HydrophobicContact CE2-CZ 4.01Å; F96-F197 HydrophobicContact CZ-CD1 4.4Å; F96-F197 HydrophobicContact CZ-CD2 4.31Å; F96-F197 HydrophobicContact CZ-CE1 4.35Å; F96-F197 HydrophobicContact CZ-CE2 4.27Å; F96-F197 HydrophobicContact CZ-CG 4.36Å; F96-F197 HydrophobicContact CZ-CZ 4.28Å; L178-F197 HydrophobicContact CB-CD1 4.17Å; L178-F197 HydrophobicContact CB-CE1 4.02Å; L178-F197 HydrophobicContact CD2-CD1 3.9Å; L178-F197 HydrophobicContact CD2-CE1 3.79Å; L178-F197 HydrophobicContact CG-CD1 3.83Å; L178-F197 HydrophobicContact CG-CE1 4.01Å; L178-F197 WeakPolarHBondContact O-CD1 3.23Å; V179-F197 CarbonylContact C-O 3.51Å; V179-F197 VanDerWaalsContact CA-O 3.29Å; V179-F197 WeakPolarHBondContact CA-O 3.48Å; I180-F197 HydrophobicContact CB-CB 3.99Å; I180-F197 HydrophobicContact CD1-CB 3.93Å; I180-F197 HydrophobicContact CD1-CD1 4.46Å; I180-F197 HydrophobicContact CD1-CG 4.41Å; I180-F197 HydrophobicContact CG1-CB 4.19Å; I180-F197 PolarHBondContact N-O 3.19Å; I180-F197 PolarHBondContact O-N 3.18Å; A195-F197 PolarHBondContact O-N 3.28Å; A195-F197 VanDerWaalsContact O-N 3.15Å; F197-Q199 HydrophobicContact CE1-CB 3.8Å; F197-Q199 HydrophobicContact CE1-CG 4.45Å; F197-Q199 HydrophobicContact CE2-CB 4.38Å; F197-Q199 HydrophobicContact CE2-CG 4.29Å; F197-Q199 HydrophobicContact CZ-CB 3.73Å; F197-Q199 HydrophobicContact CZ-CG 4.14Å; F197-V201 HydrophobicContact CE1-CG1 3.87Å; F197-V201 HydrophobicContact CZ-CG1 4.06Å
198N94.1Very high90.3Very high83 Ų8376.4 Ų76.444%0.44441%0.405SS..EExtended strand (participates in β ladder)trans-149.180.3178.4-174.1-10.1000108.6F137 L178F137-N198 WeakPolarHBondContact CD1-OD1 3.44Å; F137-N198 WeakPolarHBondContact CE1-OD1 3.25Å; L178-N198 WeakPolarHBondContact O-CA 3.37Å
199Q93.5Very high89.2Confident120 Ų12074.2 Ų74.256%0.56141%0.413SS*.EExtended strand (participates in β ladder)trans-145.1157.2-176.5-61.9-174.5-7.800111L178 F197L178-Q199 PolarHBondContact N-O 3.28Å; L178-Q199 PolarHBondContact O-N 2.91Å; F197-Q199 HydrophobicContact CE1-CB 3.8Å; F197-Q199 HydrophobicContact CE1-CG 4.45Å; F197-Q199 HydrophobicContact CE2-CB 4.38Å; F197-Q199 HydrophobicContact CE2-CG 4.29Å; F197-Q199 HydrophobicContact CZ-CB 3.73Å; F197-Q199 HydrophobicContact CZ-CG 4.14Å
200T94.6Very high88.4Confident72 Ų7278.4 Ų78.444%0.44242%0.423SS..EExtended strand (participates in β ladder)trans-80.8124.4172.9-56.90000110.1P134 P175 F176P134-T200 HydrophobicContact CB-CG2 3.8Å; P175-T200 HydrophobicContact CB-CG2 3.75Å; F176-T200 CarbonylContact O-C 3.12Å; F176-T200 VanDerWaalsContact O-CA 3.28Å; F176-T200 WeakPolarHBondContact O-CA 3.32Å
201V93.9Very high88Confident11 Ų1177.9 Ų77.97%0.06742%0.421CS..EExtended strand (participates in β ladder)trans-117.8146177.2-59.40000110F102 F131 P175 F176 L178 F197 I203F102-V201 HydrophobicContact CD2-CB 3.79Å; F102-V201 HydrophobicContact CD2-CG1 4.15Å; F102-V201 HydrophobicContact CD2-CG2 4.26Å; F102-V201 HydrophobicContact CE2-CB 3.78Å; F102-V201 HydrophobicContact CE2-CG1 3.59Å; F102-V201 HydrophobicContact CE2-CG2 4.43Å; F102-V201 HydrophobicContact CG-CB 4.4Å; F102-V201 HydrophobicContact CG-CG2 4.38Å; F102-V201 HydrophobicContact CZ-CB 4.37Å; F102-V201 HydrophobicContact CZ-CG1 3.89Å; F131-V201 HydrophobicContact CE1-CG2 4.26Å; P175-V201 CarbonylContact C-O 3.54Å; P175-V201 WeakPolarHBondContact CA-O 3.29Å; F176-V201 PolarHBondContact N-O 3.05Å; F176-V201 PolarHBondContact O-N 3.06Å; L178-V201 HydrophobicContact CB-CG1 4.2Å; L178-V201 HydrophobicContact CB-CG2 3.73Å; L178-V201 HydrophobicContact CD2-CG1 4.33Å; L178-V201 HydrophobicContact CD2-CG2 4.32Å; F197-V201 HydrophobicContact CE1-CG1 3.87Å; F197-V201 HydrophobicContact CZ-CG1 4.06Å; V201-I203 HydrophobicContact CG2-CD1 4.35Å
202T94.1Very high87.6Confident83 Ų8374.9 Ų74.951%0.50942%0.416SS..EExtended strand (participates in β ladder)trans-97.5125.9176-56.40000109.2
203I94.3Very high87.2Confident0 Ų080.1 Ų80.10%044%0.44CS..EExtended strand (participates in β ladder)trans-82.9123.2176.5-52.9-60.7000107.9F102 A104 F131 P167 M171 G173 R174 F176 V201F102-I203 HydrophobicContact CB-CD1 3.68Å; F102-I203 CarbonylContact O-C 3.52Å; F102-I203 VanDerWaalsContact O-CA 3.26Å; F102-I203 WeakPolarHBondContact O-CA 3.37Å; F102-I203 WeakPolarHBondContact O-CG2 3.31Å; A104-I203 HydrophobicContact CB-CG2 3.79Å; F131-I203 HydrophobicContact CE1-CD1 4.22Å; F131-I203 HydrophobicContact CE2-CD1 4.08Å; F131-I203 HydrophobicContact CZ-CD1 3.52Å; F131-I203 HydrophobicContact CZ-CG1 4.42Å; P167-I203 HydrophobicContact CB-CD1 4.17Å; P167-I203 HydrophobicContact CB-CG2 4.11Å; P167-I203 HydrophobicContact CG-CD1 4.25Å; M171-I203 HydrophobicContact CB-CG1 4.39Å; M171-I203 HydrophobicContact CB-CG2 4.41Å; M171-I203 WeakPolarHBondContact O-CB 3.18Å; G173-I203 WeakPolarHBondContact CA-O 3.4Å; G173-I203 PolarHBondContact N-O 2.93Å; R174-I203 PolarHBondContact O-N 2.9Å; R174-I203 VanDerWaalsContact O-N 3.09Å; F176-I203 HydrophobicContact CD2-CG1 3.62Å; F176-I203 HydrophobicContact CE2-CG1 4.03Å; V201-I203 HydrophobicContact CG2-CD1 4.35Å
204T92.3Very high86.8Confident57 Ų5780 Ų8035%0.3544%0.444SS..EExtended strand (participates in β ladder)trans-84.1136.8177.251.60000109.4F102 P103 A104 R206F102-T204 PolarHBondContact O-N 3.1Å; F102-T204 PolarHBondContact O-OG1 3.4Å; P103-T204 CarbonylContact C-O 3.56Å; P103-T204 WeakPolarHBondContact CA-O 2.87Å; P103-T204 VanDerWaalsContact CA-OG1 3.31Å; P103-T204 WeakPolarHBondContact CA-OG1 3.32Å; A104-T204 WeakPolarHBondContact CB-O 3.45Å; A104-T204 PolarHBondContact N-O 3.23Å; T204-R206 PolarHBondContact O-N 2.9Å
205E88.8Confident86.6Confident132 Ų13282.1 Ų82.162%0.61745%0.454SS*.PPolyproline II helixtrans-69.1133.8170.2-75.8170-165.400108.5G172 E207G172-E205 VanDerWaalsContact CA-CG 3.44Å; E205-E207 PolarHBondContact O-N 3.44Å
206R77.2Confident86.5Confident144 Ų14486.3 Ų86.354%0.54346%0.464SS..  trans-69114.4165-179.4169.5175.9164.2-5.7106.3D106 T204 D208D106-R206 IonicContact OD1-CZ 3.83Å; D106-R206 IonicContact OD1-NH1 3.1Å; D106-R206 PolarHBondContact OD1-NH1 3.44Å; D106-R206 IonicContact OD2-NH1 2.78Å; T204-R206 PolarHBondContact O-N 2.9Å; R206-D208 PolarHBondContact O-N 3.43Å
207E70.8Confident86.4Confident182 Ų18289.3 Ų89.385%0.8548%0.477SS*.  trans-64.295.1166.7-66.8-179.8-174.400106.8E205 G209E205-E207 PolarHBondContact O-N 3.44Å; E207-G209 PolarHBondContact O-N 3.05Å
208D70.1Confident86.3Confident122 Ų12295.3 Ų95.365%0.65250%0.5SS*.  trans-60.498.1160.5-99.7-6.8000105R206 L210R206-D208 PolarHBondContact O-N 3.43Å; D208-L210 PolarHBondContact O-N 2.86Å
209G66.1Low86.4Confident81 Ų8195.8 Ų95.884%0.83551%0.506SS*.SBendtrans-63.514.9-169.700000114.9E207 D211E207-G209 PolarHBondContact O-N 3.05Å; G209-D211 PolarHBondContact O-N 3.32Å
210L73.4Confident86.4Confident134 Ų13495.9 Ų95.970%0.70251%0.505SS*.  trans-89.673.8165.9-163.5103.4000109.1D208 G212 I215D208-L210 PolarHBondContact O-N 2.86Å; L210-G212 PolarHBondContact O-N 3.44Å; L210-I215 HydrophobicContact CD1-CD1 3.6Å; L210-I215 HydrophobicContact CD2-CD1 4.16Å; L210-I215 HydrophobicContact CG-CD1 3.5Å; L210-I215 VanDerWaalsContact CG-CD1 3.5Å
211D81.9Confident86.4Confident78 Ų7897.4 Ų97.442%0.41751%0.509SS..  trans-65.697171.5178.217.3000109.8G209 E213 T214 I215G209-D211 PolarHBondContact O-N 3.32Å; D211-E213 PolarHBondContact O-N 2.99Å; D211-E213 VanDerWaalsContact OD1-CB 3.27Å; D211-E213 WeakPolarHBondContact OD1-CB 3.27Å; D211-E213 PolarHBondContact OD1-N 3.46Å; D211-T214 PolarHBondContact O-N 3.26Å; D211-T214 VanDerWaalsContact O-N 3.15Å; D211-T214 WeakPolarHBondContact OD2-CB 3.44Å; D211-T214 PolarHBondContact OD2-N 2.98Å; D211-T214 PolarHBondContact OD2-OG1 3.05Å; D211-I215 WeakPolarHBondContact O-CG1 3.39Å; D211-I215 PolarHBondContact O-N 3.15Å
212G86.1Confident86.4Confident43 Ų43100.5 Ų100.544%0.44353%0.531SS..Hα-helixtrans-58.4-28.3178.900000112.4L210 F216L210-G212 PolarHBondContact O-N 3.44Å; G212-F216 WeakPolarHBondContact O-CB 3.13Å; G212-F216 PolarHBondContact O-N 2.94Å
213E87.2Confident86.5Confident154 Ų15498.4 Ų98.472%0.7253%0.527SS*.Hα-helixtrans-65.8-50.9175.2-174.5179.5153.500110.5D211 I215 F216 M217D211-E213 PolarHBondContact O-N 2.99Å; D211-E213 VanDerWaalsContact OD1-CB 3.27Å; D211-E213 WeakPolarHBondContact OD1-CB 3.27Å; D211-E213 PolarHBondContact OD1-N 3.46Å; E213-I215 PolarHBondContact O-N 3.22Å; E213-F216 PolarHBondContact O-N 3.24Å; E213-M217 WeakPolarHBondContact O-CB 3.11Å; E213-M217 PolarHBondContact O-N 2.7Å
214T86.3Confident86.6Confident55 Ų55102.4 Ų102.434%0.33755%0.548SS..Hα-helixtrans-62.3-42.6177.5-71.60000111.8D211 M217 Y218D211-T214 PolarHBondContact O-N 3.26Å; D211-T214 VanDerWaalsContact O-N 3.15Å; D211-T214 WeakPolarHBondContact OD2-CB 3.44Å; D211-T214 PolarHBondContact OD2-N 2.98Å; D211-T214 PolarHBondContact OD2-OG1 3.05Å; T214-M217 PolarHBondContact O-N 3.34Å; T214-Y218 HydrophobicContact CG2-CD2 3.72Å; T214-Y218 HydrophobicContact CG2-CE2 3.26Å; T214-Y218 WeakPolarHBondContact O-CD2 3.27Å; T214-Y218 PolarHBondContact O-N 3.29Å
215I90.6Very high86.7Confident77 Ų77101.5 Ų101.540%0.39555%0.549SS..Hα-helixtrans-63.1-47177-67.3173.4000110.6L210 D211 E213 M217 Y218 V219L210-I215 HydrophobicContact CD1-CD1 3.6Å; L210-I215 HydrophobicContact CD2-CD1 4.16Å; L210-I215 HydrophobicContact CG-CD1 3.5Å; L210-I215 VanDerWaalsContact CG-CD1 3.5Å; D211-I215 WeakPolarHBondContact O-CG1 3.39Å; D211-I215 PolarHBondContact O-N 3.15Å; E213-I215 PolarHBondContact O-N 3.22Å; I215-M217 VanDerWaalsContact C-N 3.32Å; I215-M217 PolarHBondContact O-N 2.96Å; I215-Y218 PolarHBondContact O-N 3.39Å; I215-V219 HydrophobicContact CG2-CG2 4.47Å; I215-V219 WeakPolarHBondContact O-CG2 3.39Å; I215-V219 PolarHBondContact O-N 3.43Å
216F92.2Very high86.9Confident139 Ų139100.8 Ų100.861%0.6155%0.549SS*.Hα-helixtrans-59.2-44.6176.4173.8-102.6000111.3G212 E213 Y218 V219 F220G212-F216 WeakPolarHBondContact O-CB 3.13Å; G212-F216 PolarHBondContact O-N 2.94Å; E213-F216 PolarHBondContact O-N 3.24Å; F216-Y218 VanDerWaalsContact C-N 3.33Å; F216-Y218 PolarHBondContact O-N 3.44Å; F216-V219 PolarHBondContact O-N 3.48Å; F216-F220 HydrophobicContact CE1-CB 4.48Å; F216-F220 HydrophobicContact CZ-CB 4.42Å; F216-F220 HydrophobicContact CZ-CD2 4.37Å; F216-F220 WeakPolarHBondContact O-CB 3.17Å; F216-F220 PolarHBondContact O-N 2.82Å
217M93Very high87.7Confident86 Ų8699.4 Ų99.442%0.42455%0.552SS.*Hα-helixtrans-56.7-46.8177.4-172.7-148.865.700110.9E213 T214 I215 F220 L221E213-M217 WeakPolarHBondContact O-CB 3.11Å; E213-M217 PolarHBondContact O-N 2.7Å; T214-M217 PolarHBondContact O-N 3.34Å; I215-M217 VanDerWaalsContact C-N 3.32Å; I215-M217 PolarHBondContact O-N 2.96Å; M217-F220 PolarHBondContact O-N 3.29Å; M217-L221 VanDerWaalsContact O-CB 3.27Å; M217-L221 WeakPolarHBondContact O-CB 3.39Å; M217-L221 PolarHBondContact O-N 2.98Å
218Y92.5Very high88.8Confident149 Ų14994.4 Ų94.458%0.58453%0.533SS*.Hα-helixtrans-66.6-42.9179-72.1-53.6000113.2T214 I215 F216 L221 S222T214-Y218 HydrophobicContact CG2-CD2 3.72Å; T214-Y218 HydrophobicContact CG2-CE2 3.26Å; T214-Y218 WeakPolarHBondContact O-CD2 3.27Å; T214-Y218 PolarHBondContact O-N 3.29Å; I215-Y218 PolarHBondContact O-N 3.39Å; F216-Y218 VanDerWaalsContact C-N 3.33Å; F216-Y218 PolarHBondContact O-N 3.44Å; Y218-L221 PolarHBondContact O-N 2.95Å; Y218-S222 WeakPolarHBondContact O-CB 3.22Å; Y218-S222 PolarHBondContact O-N 3.44Å
219V94.6Very high89.9Confident93 Ų9393.2 Ų93.256%0.56453%0.531SS*.Hα-helixtrans-62.5-46.5176.5173.40000110.3I215 F216 L221 S222 G223I215-V219 HydrophobicContact CG2-CG2 4.47Å; I215-V219 WeakPolarHBondContact O-CG2 3.39Å; I215-V219 PolarHBondContact O-N 3.43Å; F216-V219 PolarHBondContact O-N 3.48Å; V219-L221 PolarHBondContact O-N 3.48Å; V219-S222 PolarHBondContact O-N 3.38Å; V219-S222 PolarHBondContact O-OG 2.83Å; V219-G223 PolarHBondContact O-N 2.55Å
220F95.4Very high91.2Very high122 Ų12292.5 Ų92.554%0.53551%0.51SS..Hα-helixtrans-61.1-45.2177.9-177.1-102.7000112.1F216 M217 S222 G223 L224F216-F220 HydrophobicContact CE1-CB 4.48Å; F216-F220 HydrophobicContact CZ-CB 4.42Å; F216-F220 HydrophobicContact CZ-CD2 4.37Å; F216-F220 WeakPolarHBondContact O-CB 3.17Å; F216-F220 PolarHBondContact O-N 2.82Å; M217-F220 PolarHBondContact O-N 3.29Å; F220-S222 VanDerWaalsContact C-N 3.33Å; F220-S222 PolarHBondContact O-N 3.05Å; F220-G223 PolarHBondContact O-N 3.3Å; F220-L224 WeakPolarHBondContact O-CB 3.45Å; F220-L224 PolarHBondContact O-N 3.38Å
221L94.4Very high92Very high103 Ų10387.9 Ų87.954%0.53949%0.494SS..Hα-helixtrans-65-37.9178.7-149.873.2000111.7M217 Y218 V219 L224 G225M217-L221 VanDerWaalsContact O-CB 3.27Å; M217-L221 WeakPolarHBondContact O-CB 3.39Å; M217-L221 PolarHBondContact O-N 2.98Å; Y218-L221 PolarHBondContact O-N 2.95Å; V219-L221 PolarHBondContact O-N 3.48Å; L221-L224 PolarHBondContact O-N 3.34Å; L221-G225 PolarHBondContact O-N 3Å
222S93.9Very high92.5Very high76 Ų7688.7 Ų88.753%0.53150%0.498SS..Hα-helixtrans-64.9-42.3174.380.30000112Y218 V219 F220 G225 L226Y218-S222 WeakPolarHBondContact O-CB 3.22Å; Y218-S222 PolarHBondContact O-N 3.44Å; V219-S222 PolarHBondContact O-N 3.38Å; V219-S222 PolarHBondContact O-OG 2.83Å; F220-S222 VanDerWaalsContact C-N 3.33Å; F220-S222 PolarHBondContact O-N 3.05Å; S222-G225 PolarHBondContact O-N 2.89Å; S222-L226 PolarHBondContact O-N 3.35Å
223G95.4Very high92.6Very high40 Ų4091.7 Ų91.741%0.41250%0.501SS..Hα-helixtrans-63.7-44175.500000112.3V219 F220 L226 L227V219-G223 PolarHBondContact O-N 2.55Å; F220-G223 PolarHBondContact O-N 3.3Å; G223-L226 PolarHBondContact O-N 3.31Å; G223-L227 WeakPolarHBondContact O-CB 3.38Å; G223-L227 PolarHBondContact O-N 3.47Å
224L95.7Very high92.7Very high84 Ų8490.6 Ų90.644%0.4450%0.495SS..Hα-helixtrans-62.9-42.6175.2-173.964.7000111.4F220 L221 L226 L227 V228F220-L224 WeakPolarHBondContact O-CB 3.45Å; F220-L224 PolarHBondContact O-N 3.38Å; L221-L224 PolarHBondContact O-N 3.34Å; L224-L226 VanDerWaalsContact C-N 3.34Å; L224-L226 PolarHBondContact O-N 2.91Å; L224-L227 WeakPolarHBondContact O-CB 3.36Å; L224-L227 PolarHBondContact O-N 2.88Å; L224-V228 WeakPolarHBondContact O-CG2 3.34Å; L224-V228 PolarHBondContact O-N 3.27Å
225G94.3Very high92.6Very high37 Ų3792.9 Ų92.938%0.38151%0.505SS..Hα-helixtrans-58.6-44.5174.700000112.3L221 S222 V228 V229L221-G225 PolarHBondContact O-N 3Å; S222-G225 PolarHBondContact O-N 2.89Å; G225-V228 PolarHBondContact O-N 3.02Å; G225-V229 WeakPolarHBondContact O-CG2 3.36Å; G225-V229 PolarHBondContact O-N 3.31Å
226L94.3Very high92.2Very high118 Ų11894.1 Ų94.162%0.61851%0.512SS*.Hα-helixtrans-65.2-40.8177.5-155.4152.1000111.3S222 G223 L224 V228 V229 V230S222-L226 PolarHBondContact O-N 3.35Å; G223-L226 PolarHBondContact O-N 3.31Å; L224-L226 VanDerWaalsContact C-N 3.34Å; L224-L226 PolarHBondContact O-N 2.91Å; L226-V228 PolarHBondContact O-N 3.49Å; L226-V229 PolarHBondContact O-N 2.9Å; L226-V230 HydrophobicContact CD2-CG2 3.88Å; L226-V230 WeakPolarHBondContact O-CG2 3.49Å; L226-V230 PolarHBondContact O-N 3.45Å
227L94Very high91.4Very high115 Ų11592.5 Ų92.560%0.60251%0.506SS*.Hα-helixtrans-60.5-45.2174.4-163.9167.6000111.1G223 L224 V229 V230 G231G223-L227 WeakPolarHBondContact O-CB 3.38Å; G223-L227 PolarHBondContact O-N 3.47Å; L224-L227 WeakPolarHBondContact O-CB 3.36Å; L224-L227 PolarHBondContact O-N 2.88Å; L227-V229 PolarHBondContact O-N 2.74Å; L227-V230 PolarHBondContact O-N 3.29Å; L227-G231 PolarHBondContact O-N 3.45Å
228V94.1Very high90.2Very high76 Ų7691.6 Ų91.646%0.46151%0.508SS..Hα-helixtrans-60.7-44.1176.4171.80000111.1L224 G225 L226 G231 L232L224-V228 WeakPolarHBondContact O-CG2 3.34Å; L224-V228 PolarHBondContact O-N 3.27Å; G225-V228 PolarHBondContact O-N 3.02Å; L226-V228 PolarHBondContact O-N 3.49Å; V228-G231 PolarHBondContact O-N 2.91Å; V228-L232 HydrophobicContact CG1-CD1 3.9Å; V228-L232 HydrophobicContact CG1-CG 4.33Å; V228-L232 WeakPolarHBondContact O-CB 3.42Å; V228-L232 VanDerWaalsContact O-CG 3.25Å; V228-L232 WeakPolarHBondContact O-CG 3.25Å; V228-L232 PolarHBondContact O-N 3.49Å
229V93.1Very high88.9Confident98 Ų9893.7 Ų93.759%0.59452%0.515SS*.Hα-helixtrans-62.3-45.4177.4172.70000111.3G225 L226 L227 L232 H233G225-V229 WeakPolarHBondContact O-CG2 3.36Å; G225-V229 PolarHBondContact O-N 3.31Å; L226-V229 PolarHBondContact O-N 2.9Å; L227-V229 PolarHBondContact O-N 2.74Å; V229-L232 PolarHBondContact O-N 3.26Å; V229-H233 WeakPolarHBondContact O-CB 3.43Å; V229-H233 PolarHBondContact O-N 2.93Å
230V92.3Very high87.2Confident66 Ų6697.2 Ų97.240%0.452%0.523SS..Hα-helixtrans-65.9-41.5177.1172.40000111.2L226 L227 H233 Q234L226-V230 HydrophobicContact CD2-CG2 3.88Å; L226-V230 WeakPolarHBondContact O-CG2 3.49Å; L226-V230 PolarHBondContact O-N 3.45Å; L227-V230 PolarHBondContact O-N 3.29Å; V230-H233 WeakPolarHBondContact O-CB 3.49Å; V230-H233 PolarHBondContact O-N 2.91Å; V230-Q234 HydrophobicContact CG1-CG 4.47Å; V230-Q234 WeakPolarHBondContact O-CG 3.49Å; V230-Q234 PolarHBondContact O-N 3.34Å
231G91Very high85.5Confident36 Ų36102.3 Ų102.337%0.37154%0.538SS..Hα-helixtrans-61.9-44.5176.700000112.1L227 V228 Q234 L235L227-G231 PolarHBondContact O-N 3.45Å; V228-G231 PolarHBondContact O-N 2.91Å; G231-Q234 PolarHBondContact O-N 2.93Å; G231-L235 WeakPolarHBondContact O-CB 3.46Å; G231-L235 PolarHBondContact O-N 2.85Å
232L91.6Very high83.7Confident96 Ų96107.9 Ų107.950%0.50355%0.552SS.*Hα-helixtrans-64-41.2173-72.4172.5000111.6V228 V229 L235 L236V228-L232 HydrophobicContact CG1-CD1 3.9Å; V228-L232 HydrophobicContact CG1-CG 4.33Å; V228-L232 WeakPolarHBondContact O-CB 3.42Å; V228-L232 VanDerWaalsContact O-CG 3.25Å; V228-L232 WeakPolarHBondContact O-CG 3.25Å; V228-L232 PolarHBondContact O-N 3.49Å; V229-L232 PolarHBondContact O-N 3.26Å; L232-L235 PolarHBondContact O-N 3.25Å; L232-L236 WeakPolarHBondContact O-CB 3.44Å; L232-L236 VanDerWaalsContact O-CG 3.24Å; L232-L236 WeakPolarHBondContact O-CG 3.28Å; L232-L236 PolarHBondContact O-N 2.86Å
233H89.6Confident82.1Confident106 Ų106114.8 Ų114.849%0.49157%0.567SS.*Hα-helixtrans-60.3-49.5176-170.4-92.6000111.5V229 V230 L235 L236 E237V229-H233 WeakPolarHBondContact O-CB 3.43Å; V229-H233 PolarHBondContact O-N 2.93Å; V230-H233 WeakPolarHBondContact O-CB 3.49Å; V230-H233 PolarHBondContact O-N 2.91Å; H233-L235 VanDerWaalsContact C-N 3.33Å; H233-L235 PolarHBondContact O-N 3.23Å; H233-L236 PolarHBondContact O-N 3.4Å; H233-E237 IonicContact CE1-OE1 3Å; H233-E237 PolarHBondContact CE1-OE1 3.36Å; H233-E237 IonicContact CE1-OE2 3.38Å; H233-E237 PolarHBondContact CE1-OE2 3.39Å; H233-E237 IonicContact ND1-OE1 3.76Å; H233-E237 IonicContact ND1-OE2 3.34Å; H233-E237 PolarHBondContact ND1-OE2 2.9Å; H233-E237 IonicContact NE2-OE1 3.72Å; H233-E237 WeakPolarHBondContact O-CB 3.49Å; H233-E237 WeakPolarHBondContact O-CG 3.24Å; H233-E237 PolarHBondContact O-N 2.85Å
234Q88.2Confident80.5Confident131 Ų131118.8 Ų118.861%0.61259%0.585SS**Hα-helixtrans-62.6-37.6176.9-72.3-150.65500112.6V230 G231 S238V230-Q234 HydrophobicContact CG1-CG 4.47Å; V230-Q234 WeakPolarHBondContact O-CG 3.49Å; V230-Q234 PolarHBondContact O-N 3.34Å; G231-Q234 PolarHBondContact O-N 2.93Å; Q234-S238 VanDerWaalsContact O-CB 3.28Å; Q234-S238 WeakPolarHBondContact O-CB 3.36Å; Q234-S238 PolarHBondContact O-N 3.4Å; Q234-S238 PolarHBondContact O-OG 3.46Å
235L84.4Confident78.9Confident102 Ų102119.2 Ų119.253%0.53460%0.601SS.*Hα-helixtrans-67.5-39.4176.4-173.763.6000112.3G231 L232 H233 S238 R239G231-L235 WeakPolarHBondContact O-CB 3.46Å; G231-L235 PolarHBondContact O-N 2.85Å; L232-L235 PolarHBondContact O-N 3.25Å; H233-L235 VanDerWaalsContact C-N 3.33Å; H233-L235 PolarHBondContact O-N 3.23Å; L235-S238 WeakPolarHBondContact CA-OG 3.34Å; L235-S238 PolarHBondContact O-OG 2.92Å; L235-R239 PolarHBondContact O-N 3.3Å
236L82.6Confident77.4Confident104 Ų104121.7 Ų121.755%0.54562%0.618SS.*Hα-helixtrans-70.9-39.1176.9-70.8171000112L232 H233 R239 K240L232-L236 WeakPolarHBondContact O-CB 3.44Å; L232-L236 VanDerWaalsContact O-CG 3.24Å; L232-L236 WeakPolarHBondContact O-CG 3.28Å; L232-L236 PolarHBondContact O-N 2.86Å; H233-L236 PolarHBondContact O-N 3.4Å; L236-R239 PolarHBondContact O-N 3.41Å; L236-K240 WeakPolarHBondContact O-CG 3.41Å; L236-K240 PolarHBondContact O-N 3.2Å
237E75.8Confident76.1Confident105 Ų105125.7 Ų125.749%0.49163%0.63SS.*Hα-helixtrans-67.9-42.3175.7-74.8-171.2144.200112.5H233 R239 K240 R241H233-E237 IonicContact CE1-OE1 3Å; H233-E237 PolarHBondContact CE1-OE1 3.36Å; H233-E237 IonicContact CE1-OE2 3.38Å; H233-E237 PolarHBondContact CE1-OE2 3.39Å; H233-E237 IonicContact ND1-OE1 3.76Å; H233-E237 IonicContact ND1-OE2 3.34Å; H233-E237 PolarHBondContact ND1-OE2 2.9Å; H233-E237 IonicContact NE2-OE1 3.72Å; H233-E237 WeakPolarHBondContact O-CB 3.49Å; H233-E237 WeakPolarHBondContact O-CG 3.24Å; H233-E237 PolarHBondContact O-N 2.85Å; E237-R239 VanDerWaalsContact C-N 3.27Å; E237-R239 PolarHBondContact O-N 3.14Å; E237-K240 PolarHBondContact O-N 3.35Å; E237-K240 VanDerWaalsContact O-N 3.14Å; E237-R241 PolarHBondContact O-N 3.45Å
238S67.9Low74.9Confident66 Ų66126.2 Ų126.246%0.46264%0.638SS.*Hα-helixtrans-63.3-32.6175.760.30000112.5Q234 L235Q234-S238 VanDerWaalsContact O-CB 3.28Å; Q234-S238 WeakPolarHBondContact O-CB 3.36Å; Q234-S238 PolarHBondContact O-N 3.4Å; Q234-S238 PolarHBondContact O-OG 3.46Å; L235-S238 WeakPolarHBondContact CA-OG 3.34Å; L235-S238 PolarHBondContact O-OG 2.92Å
239R64.3Low73.9Confident194 Ų194131.4 Ų131.473%0.73266%0.657SS**Hα-helixtrans-68-37.1171.8-98.8-177.8175.1179.2-0113.5L235 L236 E237 R241 R242L235-R239 PolarHBondContact O-N 3.3Å; L236-R239 PolarHBondContact O-N 3.41Å; E237-R239 VanDerWaalsContact C-N 3.27Å; E237-R239 PolarHBondContact O-N 3.14Å; R239-R241 PolarHBondContact O-N 3.18Å; R239-R242 PolarHBondContact O-N 2.91Å
240K59.7Low72.3Confident166 Ų166134.9 Ų134.972%0.72267%0.669SS**Hα-helixtrans-67.1-22179.4-74.4176.6-176175.90113.2L236 E237 R242L236-K240 WeakPolarHBondContact O-CG 3.41Å; L236-K240 PolarHBondContact O-N 3.2Å; E237-K240 PolarHBondContact O-N 3.35Å; E237-K240 VanDerWaalsContact O-N 3.14Å; K240-R242 VanDerWaalsContact C-N 3.28Å; K240-R242 PolarHBondContact O-N 2.92Å
241R58.3Low70.9Confident230 Ų230134.5 Ų134.587%0.86868%0.678SS**THydrogen-bonded Turntrans-78.2-5.3-179.2-138.2175.5-178.7-1720.5114.5E237 R239 R243E237-R241 PolarHBondContact O-N 3.45Å; R239-R241 PolarHBondContact O-N 3.18Å; R241-R243 PolarHBondContact O-N 3.02Å
242R57.6Low69.4Low219 Ų219139.6 Ų139.683%0.82670%0.702SS**  trans-94.239.3176.8-63.4-164.8178.5-161.50.8113.7R239 K240R239-R242 PolarHBondContact O-N 2.91Å; K240-R242 VanDerWaalsContact C-N 3.28Å; K240-R242 PolarHBondContact O-N 2.92Å
243R59.8Low67.7Low222 Ų222140.1 Ų140.184%0.83871%0.714SS**PPolyproline II helixtrans-81.9121.3162.7-69.2-173.8178.5-170.1-1.3107.6R241 A245R241-R243 PolarHBondContact O-N 3.02Å; R243-A245 PolarHBondContact O-N 3.21Å
244P62.1Low66.1Low124 Ų124139 Ų13981%0.80572%0.718SS**PPolyproline II helixtrans-58.3133.617424.4-31.3000108.3A246P244-A246 PolarHBondContact O-N 2.87Å
245A62.3Low64.7Low92 Ų92138.9 Ų138.976%0.7672%0.717SS**PPolyproline II helixtrans-52.8126.3175.500000108.3R243 K247R243-A245 PolarHBondContact O-N 3.21Å; A245-K247 PolarHBondContact O-N 3.09Å; A245-K247 VanDerWaalsContact O-N 3.09Å
246A63.5Low63.5Low89 Ų89141.5 Ų141.574%0.73673%0.732SS**PPolyproline II helixtrans-52.7122.9175.100000107.5P244 V248P244-A246 PolarHBondContact O-N 2.87Å; A246-V248 PolarHBondContact O-N 3.18Å
247K65.3Low62.4Low203 Ų203143.9 Ų143.988%0.88375%0.745SS**  trans-59.2106.1176.9-78.7-179.8176.2-175.20107A245 E249A245-K247 PolarHBondContact O-N 3.09Å; A245-K247 VanDerWaalsContact O-N 3.09Å; K247-E249 PolarHBondContact O-N 3.34Å
248V69.8Low62.1Low125 Ų125142.8 Ų142.876%0.75875%0.745SS**  trans-68.7113.2170.2177.50000105.6A246 M250A246-V248 PolarHBondContact O-N 3.18Å; V248-M250 VanDerWaalsContact C-N 3.32Å; V248-M250 PolarHBondContact O-N 2.88Å
249E73.3Confident62.2Low186 Ų186145.1 Ų145.187%0.86975%0.752SS**  trans-64.694.3175.4-64.1-17617200108.6K247 G251K247-E249 PolarHBondContact O-N 3.34Å; E249-G251 VanDerWaalsContact C-N 3.3Å; E249-G251 PolarHBondContact O-N 3.44Å
250M59.4Low62.6Low170 Ų170139.1 Ų139.184%0.83773%0.734SS**  trans-69.394.4163-72.6-85.6-134.700106.8V248 T252V248-M250 VanDerWaalsContact C-N 3.32Å; V248-M250 PolarHBondContact O-N 2.88Å; M250-T252 PolarHBondContact O-N 3.07Å
251G61.6Low63.4Low58 Ų58135.7 Ų135.760%0.59873%0.73SS**  trans-55.3132177.600000113E249 S253E249-G251 VanDerWaalsContact C-N 3.3Å; E249-G251 PolarHBondContact O-N 3.44Å; G251-S253 VanDerWaalsContact C-N 3.35Å; G251-S253 PolarHBondContact O-N 2.89Å
252T61.3Low64.3Low144 Ų144134.4 Ų134.488%0.88373%0.726SS**SBendtrans29.147.1155.264.80000119.1M250M250-T252 PolarHBondContact O-N 3.07Å
253S55.3Low65.4Low106 Ų106125.8 Ų125.874%0.74170%0.696SS**  trans-97.412.7170.972.60000113.9G251 H255G251-S253 VanDerWaalsContact C-N 3.35Å; G251-S253 PolarHBondContact O-N 2.89Å; S253-H255 PolarHBondContact O-N 3.46Å
254S56.3Low66.5Low82 Ų82119.6 Ų119.657%0.57368%0.684SS**  trans-94.790.2171.2-171.40000109.5N256S254-N256 PolarHBondContact O-N 3.49Å
255H58.1Low67.2Low130 Ų130121.4 Ų121.460%0.60268%0.682SS**THydrogen-bonded Turntrans-73.86.2175.2-107.763.7000113.5S253S253-H255 PolarHBondContact O-N 3.46Å
256N59.7Low68Low157 Ų157124.8 Ų124.884%0.8468%0.682SS**THydrogen-bonded Turntrans-99.1-6.6-169.4-13632.4000114S254S254-N256 PolarHBondContact O-N 3.49Å
257D59.9Low68.8Low154 Ų154123.4 Ų123.482%0.82466%0.664SS**SBendtrans-11314-176.6-110.4-3.3000113
258V68Low69.5Low82 Ų82115.6 Ų115.650%0.49763%0.632SS.*  trans-96.1115.3177.4-172.80000107.8M260V258-M260 HydrophobicContact CB-CE 3.67Å; V258-M260 HydrophobicContact CG1-CE 3.78Å; V258-M260 WeakPolarHBondContact O-CE 3.29Å; V258-M260 PolarHBondContact O-N 3.29Å
259D70.6Confident69.9Low114 Ų114113.8 Ų113.861%0.6162%0.618SS**  trans-71.3122.9175.7-174.55.8000110.6S261D259-S261 VanDerWaalsContact OD1-CB 3.22Å; D259-S261 WeakPolarHBondContact OD1-CB 3.48Å; D259-S261 PolarHBondContact OD1-N 3.4Å; D259-S261 PolarHBondContact OD1-OG 3.44Å; D259-S261 VanDerWaalsContact OD1-OG 3.09Å; D259-S261 PolarHBondContact OD2-OG 3.43Å
260M73.2Confident70.2Confident69 Ų69111.2 Ų111.234%0.3461%0.606SS.*  trans-95.59.8179-78.795-157.100113.8V258 W262 I263 L268V258-M260 HydrophobicContact CB-CE 3.67Å; V258-M260 HydrophobicContact CG1-CE 3.78Å; V258-M260 WeakPolarHBondContact O-CE 3.29Å; V258-M260 PolarHBondContact O-N 3.29Å; M260-W262 PolarHBondContact O-N 3.2Å; M260-W262 VanDerWaalsContact O-N 3.15Å; M260-I263 HydrophobicContact CG-CD1 4.23Å; M260-I263 PolarHBondContact O-N 3.43Å; M260-L268 HydrophobicContact CB-CD1 3.56Å; M260-L268 HydrophobicContact CG-CD1 4.2Å
261S75.7Confident71.2Confident93 Ų93106.5 Ų106.565%0.6558%0.584SS**THydrogen-bonded Turntrans-61.7-19.6-178.762.90000115.2D259D259-S261 VanDerWaalsContact OD1-CB 3.22Å; D259-S261 WeakPolarHBondContact OD1-CB 3.48Å; D259-S261 PolarHBondContact OD1-N 3.4Å; D259-S261 PolarHBondContact OD1-OG 3.44Å; D259-S261 VanDerWaalsContact OD1-OG 3.09Å; D259-S261 PolarHBondContact OD2-OG 3.43Å
262W78.4Confident71.7Confident203 Ų203109.1 Ų109.177%0.76958%0.582SS**THydrogen-bonded Turntrans-82.7-10.6179.873.5-87.1000114.3M260M260-W262 PolarHBondContact O-N 3.2Å; M260-W262 VanDerWaalsContact O-N 3.15Å
263I80.9Confident72.3Confident39 Ų39108 Ų10820%0.257%0.567CS.*SBendtrans-94.4130.5-176.9-58.3172.5000109M260 Q265 T267M260-I263 HydrophobicContact CG-CD1 4.23Å; M260-I263 PolarHBondContact O-N 3.43Å; I263-Q265 PolarHBondContact O-N 2.95Å; I263-T267 WeakPolarHBondContact CG2-OG1 3.17Å
264P81.8Confident73.1Confident92 Ų92106.3 Ų106.360%0.59756%0.555SS**  trans-54133.6175.1-25.834.1000111.9E266 T267 L268P264-E266 PolarHBondContact O-N 2.85Å; P264-T267 PolarHBondContact O-N 3.49Å; P264-T267 PolarHBondContact O-OG1 3.18Å; P264-L268 PolarHBondContact O-N 3.39Å
265Q76.8Confident73.6Confident162 Ų162109.5 Ų109.576%0.75755%0.554SS**Hα-helixtrans-56.5-28.7-172-65.7-161.5-21.900114.1I263 T267 L268 N269I263-Q265 PolarHBondContact O-N 2.95Å; Q265-T267 PolarHBondContact O-N 3.35Å; Q265-L268 PolarHBondContact O-N 3.3Å; Q265-N269 PolarHBondContact O-N 3.25Å; Q265-N269 VanDerWaalsContact O-N 3.13Å; Q265-N269 PolarHBondContact O-ND2 3.08Å
266E78.9Confident73.8Confident163 Ų163112.8 Ų112.876%0.76256%0.561SS**Hα-helixtrans-64.1-37.5177-149.6174.2-163.700112.6P264P264-E266 PolarHBondContact O-N 2.85Å
267T80.6Confident73.7Confident59 Ų59112.1 Ų112.136%0.36256%0.558SS.*Hα-helixtrans-79.3-33.2176.438.70000112.3I263 P264 Q265 N269 Q270 I271I263-T267 WeakPolarHBondContact CG2-OG1 3.17Å; P264-T267 PolarHBondContact O-N 3.49Å; P264-T267 PolarHBondContact O-OG1 3.18Å; Q265-T267 PolarHBondContact O-N 3.35Å; T267-N269 VanDerWaalsContact C-N 3.32Å; T267-N269 PolarHBondContact O-N 2.8Å; T267-Q270 PolarHBondContact O-N 3.44Å; T267-I271 VanDerWaalsContact O-CG1 3.29Å; T267-I271 WeakPolarHBondContact O-CG1 3.43Å; T267-I271 PolarHBondContact O-N 3.35Å
268L80.6Confident73.5Confident40 Ų40113.4 Ų113.421%0.20956%0.556CS.*Hα-helixtrans-60.7-42.7175.3-171121000111.8M260 P264 Q265 I271 M272M260-L268 HydrophobicContact CB-CD1 3.56Å; M260-L268 HydrophobicContact CG-CD1 4.2Å; P264-L268 PolarHBondContact O-N 3.39Å; Q265-L268 PolarHBondContact O-N 3.3Å; L268-I271 PolarHBondContact O-N 3.44Å; L268-M272 HydrophobicContact CD2-CE 3.86Å; L268-M272 HydrophobicContact CD2-SD 4.12Å; L268-M272 HydrophobicContact CG-CE 4.47Å; L268-M272 PolarHBondContact O-N 3.41Å
269N78.1Confident72.8Confident87 Ų87114.1 Ų114.147%0.46557%0.57SS.*Hα-helixtrans-65-40.3179-70.6-22.9000112.3Q265 T267 M272 Q273Q265-N269 PolarHBondContact O-N 3.25Å; Q265-N269 VanDerWaalsContact O-N 3.13Å; Q265-N269 PolarHBondContact O-ND2 3.08Å; T267-N269 VanDerWaalsContact C-N 3.32Å; T267-N269 PolarHBondContact O-N 2.8Å; N269-M272 PolarHBondContact O-N 3.36Å; N269-Q273 PolarHBondContact O-N 3Å; N269-Q273 PolarHBondContact O-OE1 2.93Å
270Q78.7Confident71.6Confident131 Ų131114 Ų11461%0.61258%0.579SS**Hα-helixtrans-62.8-42.4173.1-78.1-177.81.700112.4T267 Q273 S274T267-Q270 PolarHBondContact O-N 3.44Å; Q270-Q273 PolarHBondContact O-N 3.03Å; Q270-S274 WeakPolarHBondContact O-CB 3.22Å; Q270-S274 PolarHBondContact O-N 3.27Å; Q270-S274 PolarHBondContact O-OG 3.48Å
271I80.4Confident70.6Confident71 Ų71115.7 Ų115.736%0.36460%0.595SS.*Hα-helixtrans-64.1-44.3178.3-67.2164.3000110.3T267 L268 Q273 S274 R275T267-I271 VanDerWaalsContact O-CG1 3.29Å; T267-I271 WeakPolarHBondContact O-CG1 3.43Å; T267-I271 PolarHBondContact O-N 3.35Å; L268-I271 PolarHBondContact O-N 3.44Å; I271-Q273 PolarHBondContact O-N 3.13Å; I271-S274 PolarHBondContact O-N 3.39Å; I271-S274 PolarHBondContact O-OG 3.37Å; I271-R275 PolarHBondContact O-N 2.94Å; I271-R275 VanDerWaalsContact O-N 3.08Å
272M73Confident69.4Low114 Ų114123 Ų12356%0.56261%0.608SS**Hα-helixtrans-63-40.8177.4-76.9-169.5174.200112.6L268 N269 R276L268-M272 HydrophobicContact CD2-CE 3.86Å; L268-M272 HydrophobicContact CD2-SD 4.12Å; L268-M272 HydrophobicContact CG-CE 4.47Å; L268-M272 PolarHBondContact O-N 3.41Å; N269-M272 PolarHBondContact O-N 3.36Å; M272-R276 PolarHBondContact O-N 3Å
273Q73.3Confident67.5Low121 Ų121125.3 Ų125.357%0.56562%0.616SS**Hα-helixtrans-63.6-46.3175-84.3158.4-17.900111.4N269 Q270 I271 R275 R276 D277N269-Q273 PolarHBondContact O-N 3Å; N269-Q273 PolarHBondContact O-OE1 2.93Å; Q270-Q273 PolarHBondContact O-N 3.03Å; I271-Q273 PolarHBondContact O-N 3.13Å; Q273-R275 VanDerWaalsContact C-N 3.32Å; Q273-R275 PolarHBondContact O-N 3.22Å; Q273-R276 PolarHBondContact O-N 3.15Å; Q273-D277 PolarHBondContact O-N 3.25Å
274S71.3Confident65.9Low70 Ų70128.2 Ų128.249%0.4964%0.641SS.*Hα-helixtrans-64.5-30.4179.873.30000114.7Q270 I271Q270-S274 WeakPolarHBondContact O-CB 3.22Å; Q270-S274 PolarHBondContact O-N 3.27Å; Q270-S274 PolarHBondContact O-OG 3.48Å; I271-S274 PolarHBondContact O-N 3.39Å; I271-S274 PolarHBondContact O-OG 3.37Å
275R67.6Low64.5Low148 Ų148130.1 Ų130.156%0.55865%0.653SS**Hα-helixtrans-75.5-33176-73.7-170.8-166.6-168.74.5112.5I271 Q273 D277 K278I271-R275 PolarHBondContact O-N 2.94Å; I271-R275 VanDerWaalsContact O-N 3.08Å; Q273-R275 VanDerWaalsContact C-N 3.32Å; Q273-R275 PolarHBondContact O-N 3.22Å; R275-D277 VanDerWaalsContact C-N 3.26Å; R275-D277 PolarHBondContact O-N 2.95Å; R275-K278 PolarHBondContact O-N 3.31Å
276R62.5Low62.9Low200 Ų200134.4 Ų134.476%0.75566%0.662SS**Hα-helixtrans-65-34.1179.6-172.5170.7-73.9158.9-1.6111.5M272 Q273 K278M272-R276 PolarHBondContact O-N 3Å; Q273-R276 PolarHBondContact O-N 3.15Å; R276-K278 VanDerWaalsContact C-N 3.29Å; R276-K278 PolarHBondContact O-N 2.78Å
277D56.8Low61.2Low143 Ų143136 Ų13677%0.76567%0.667SS**THydrogen-bonded Turntrans-81.4-3.9-179.3-61.2-30.1000114Q273 R275Q273-D277 PolarHBondContact O-N 3.25Å; R275-D277 VanDerWaalsContact C-N 3.26Å; R275-D277 PolarHBondContact O-N 2.95Å
278K55.8Low59.5Low180 Ų180143.5 Ų143.578%0.78369%0.688SS**THydrogen-bonded Turntrans-107.28.8-174.4-149.6115.7-177.4-169.90115.1R275 R276 S280R275-K278 PolarHBondContact O-N 3.31Å; R276-K278 VanDerWaalsContact C-N 3.29Å; R276-K278 PolarHBondContact O-N 2.78Å; K278-S280 PolarHBondContact O-N 3.09Å
279A53.6Low57.7Low97 Ų97148 Ų14880%0.80272%0.718SS**  trans-81.585177.200000111.1
280S45.6Very low56.2Low112 Ų112151.4 Ų151.478%0.78373%0.73SS**  trans-107.5151.6172.1173.40000110.6K278K278-S280 PolarHBondContact O-N 3.09Å
281P51.9Low54.5Low104 Ų104155.2 Ų155.268%0.67575%0.745SS**  trans-101.1158.4-136.337.3-33.8000116.1
282R49.8Very low52.7Low246 Ų246163.5 Ų163.593%0.92877%0.772SS**  trans41.4109.4148.8-68.4171.586.6176.95.2118.1
283R39.7Very low51.2Low252 Ų252163.6 Ų163.695%0.95178%0.784SS**PPolyproline II helixtrans-93.1117.6160.3-162.6173.6-179-173.50.7110.1
284S46.8Very low49.7Very low101 Ų101162.7 Ų162.771%0.70680%0.797SS**PPolyproline II helixtrans-73.2157.7179.754.40000113.7
285P53.4Low48.1Very low131 Ų131163.1 Ų163.185%0.85181%0.813SS**PPolyproline II helixtrans-82.9134.8-177.189.3000112.2
286R43.4Very low46.7Very low252 Ų252161.9 Ų161.995%0.95183%0.827SS**PPolyproline II helixtrans-78.5126.9-179.9-173.8172.7171.5145-3.6111
287K42.9Very low45.7Very low198 Ų198159.7 Ų159.786%0.86183%0.83SS**PPolyproline II helixtrans-63.6134.8-177.8-138.4174.9-176.4-178.10112.1
288R44.3Very low44.8Very low216 Ų216165.4 Ų165.482%0.81585%0.852SS**  trans-93.3115.5174.3-169.7177.784.4173.75.4109.4
289T43.8Very low44.2Very low135 Ų135164.7 Ų164.783%0.82886%0.856SS**PPolyproline II helixtrans-82.5120.8176.9-420000110
290Q46.6Very low43.7Very low157 Ų157168.3 Ų168.373%0.73486%0.858SS**PPolyproline II helixtrans-85.8132.5166.7-81.4176.9-36.900109.4
291K42.1Very low43.6Very low212 Ų212171.4 Ų171.492%0.92286%0.863SS**PPolyproline II helixtrans-78.4128.9168.4-79.5179.4170.6-176.50108.8
292R43.4Very low43.2Very low244 Ų244175.4 Ų175.492%0.92187%0.874SS**PPolyproline II helixtrans-78142.2170.8-63.2174.4102.3-1773.6109.5
293S40.1Very low42.7Very low116 Ų116170.9 Ų170.981%0.81187%0.87SS**PPolyproline II helixtrans-75.3137.6165.147.20000109.8
294A42.8Very low42.9Very low103 Ų103165.5 Ų165.585%0.85187%0.865SS**PPolyproline II helixtrans-70.8145.1173.400000110.5
295G36.5Very low42.7Very low79 Ų79170.1 Ų170.181%0.81488%0.876SS**PPolyproline II helixtrans-76157.3-179.200000113.4
296S38.1Very low41.8Very low122 Ų122173.2 Ų173.285%0.85388%0.878SS**PPolyproline II helixtrans-76.1131.5164.449.80000110
297D42.3Very low41.7Very low154 Ų154166.6 Ų166.682%0.82487%0.872SS**  trans-128.9136.8157.7-129-6.7000106.5
298E37.7Very low41.6Very low263 Ų263163.7 Ų163.7100%1.22987%0.873SS**  trans65.50175.4-72.6169.1119.700119.5

Retrieved 298 of 298 residues in 74.3 ms (Link to these results)