A0A060Y8N5_ONCMY Loading...

Acyl-coenzyme A thioesterase THEM4

AlphaFold DB , UniProt , Accession A0A060Y8N5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene them4, Length 264 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
1M38.7Very low34.3Very low247 Ų247147 Ų147100%1.21781%0.809SS**  0106.30-164.4173.6-169.500107.6
2I29.9Very low34.1Very low173 Ų173153 Ų15389%0.88781%0.811SS**  trans-127.7148.6-173.3-66.1179.6000109
3R27.4Very low34.2Very low243 Ų243146.2 Ų146.292%0.91780%0.799SS**  trans-69.2134.3-160.5-67.2175.7173.5170.8-4114.4G5R3-G5 PolarHBondContact O-N 2.86Å
4T39.6Very low34.1Very low150 Ų150145.4 Ų145.492%0.9279%0.792SS**  trans-69.890.6163.945.90000110.7
5G32.8Very low34Very low68 Ų68141.9 Ų141.970%0.70178%0.782SS**  trans-125.8-12.4-178.900000116.5R3R3-G5 PolarHBondContact O-N 2.86Å
6G33.8Very low34Very low58 Ų58145.2 Ų145.260%0.59879%0.79SS**SBendtrans-87.1-9.9-168.800000117
7V35Very low34.3Very low124 Ų124145.8 Ų145.875%0.75279%0.79SS**SBendtrans-89.8-28.2-164.5-173.60000113.4
8Q33.2Very low34.6Very low171 Ų171146.2 Ų146.280%0.79979%0.788SS**THydrogen-bonded Turntrans-85.3-11.8-171.2-82.7-176.3-2200116.2
9Q34.8Very low34.6Very low180 Ų180142.9 Ų142.984%0.84179%0.792SS**THydrogen-bonded Turntrans-85.7-26.5174.3-83-166.5-1600113.9A11Q9-A11 VanDerWaalsContact C-N 3.34Å; Q9-A11 PolarHBondContact O-N 2.68Å
10I38.8Very low34.4Very low130 Ų130147.1 Ų147.167%0.66780%0.795SS**G310 helixtrans-69.5-34.3-179.2-61176.6000111.3R12 G13I10-R12 VanDerWaalsContact C-N 3.28Å; I10-R12 PolarHBondContact O-N 3.03Å; I10-G13 PolarHBondContact O-N 2.92Å
11A33Very low34.2Very low73 Ų73149.3 Ų149.360%0.60380%0.801SS**G310 helixtrans-68.2-18-177.600000115Q9Q9-A11 VanDerWaalsContact C-N 3.34Å; Q9-A11 PolarHBondContact O-N 2.68Å
12R32.3Very low33.9Very low219 Ų219145.6 Ų145.683%0.82678%0.784SS**G310 helixtrans-87.4-18.2-178.2-71.4-171.2175.7-174.5-0.8114.3I10 L14I10-R12 VanDerWaalsContact C-N 3.28Å; I10-R12 PolarHBondContact O-N 3.03Å; R12-L14 VanDerWaalsContact C-N 3.28Å; R12-L14 PolarHBondContact O-N 2.93Å
13G35.2Very low33.8Very low64 Ų64142.8 Ų142.866%0.6678%0.78SS**THydrogen-bonded Turntrans-75.9-7.7-179.800000115.5I10I10-G13 PolarHBondContact O-N 2.92Å
14L33.8Very low34Very low135 Ų135141 Ų14171%0.70778%0.778SS**THydrogen-bonded Turntrans-108-10.7-170.8-78.2162.2000115.1R12R12-L14 VanDerWaalsContact C-N 3.28Å; R12-L14 PolarHBondContact O-N 2.93Å
15C31.4Very low33.3Very low94 Ų94137.7 Ų137.764%0.63577%0.774SS**THydrogen-bonded Turntrans-86.3-3.8-176.8-96.30000115.7
16Q35.2Very low33Very low194 Ų194141.5 Ų141.591%0.90778%0.779SS**THydrogen-bonded Turntrans-95.61.3-179.3-100.1-178.8-25.100115.1
17I38.9Very low32.7Very low155 Ų155148.7 Ų148.780%0.79579%0.794SS**SBendtrans-107.3-14178.7-66.6176.9000112.4
18M39Very low32.2Very low154 Ų154149.4 Ų149.476%0.75979%0.794SS**SBendtrans-136.7108172.4-64.5-163.2-61.900110.4R20M18-R20 PolarHBondContact O-N 2.83Å
19G34Very low32Very low84 Ų84148.2 Ų148.287%0.86680%0.798SS**  trans-69.893.1-176.600000113.4
20R31.9Very low31.5Very low225 Ų225147 Ų14785%0.84980%0.797SS**  trans-144.2118.8163.4-70.5-168.4175.7-155.7-2.3110.2M18M18-R20 PolarHBondContact O-N 2.83Å
21E30.8Very low31.1Very low194 Ų194149.2 Ų149.291%0.90781%0.809SS**  trans-84.3141.8168.3-62.3-170.2122.200111
22I30.9Very low30.7Very low170 Ų170150.9 Ų150.987%0.87282%0.816SS**  trans-138.3149.6161.9-64.1-172.9000108.7
23S28.5Very low30.4Very low113 Ų113149 Ų14979%0.7982%0.816SS**  trans-77.1179.4-161.6-161.90000116.6
24K31.6Very low29.9Very low206 Ų206154.3 Ų154.390%0.89683%0.826SS**  trans-72.2153.6-170.9-57.4169.5-177.5171.90114
25G25.7Very low29.5Very low81 Ų81154.3 Ų154.384%0.83583%0.832SS**  trans-144.9140.5159.700000109.7
26N25.7Very low30.3Very low148 Ų148155.1 Ų155.179%0.79184%0.836SS**  trans-131.1134.5-166-16232.8000111
27F27.3Very low29.9Very low208 Ų208158.1 Ų158.191%0.91284%0.839SS**  trans-151.1139170.7-106.2-76.3000113.3
28N24.4Very low29.3Very low140 Ų140153.9 Ų153.975%0.74983%0.833SS**  trans-107.2155.3178.9-88.4-26.5000111.4
29T28.6Very low28.7Very low146 Ų146153.3 Ų153.390%0.89684%0.839SS**  trans-168.7151130.612.90000112.1
30N25.5Very low28.3Very low154 Ų154155.5 Ų155.582%0.82483%0.83SS**  trans-97.6169.1173.7-76.4-53.7000111.5
31I30Very low28Very low176 Ų176152.7 Ų152.790%0.90383%0.827SS**  trans-169160.3138-101.9154.3000110.8
32S25.3Very low27.9Very low109 Ų109150.5 Ų150.576%0.76282%0.82SS**  trans-118168.9-154.4-59.10000117.1
33Q25.8Very low28Very low178 Ų178147.1 Ų147.183%0.83281%0.809SS**  trans-23.3148.8167-55166.9-11.400119.8
34M23.3Very low27.8Very low177 Ų177152.8 Ų152.887%0.87281%0.814SS**  -175.6178.2111-99.1-169.8172.700113.5
35T25.6Very low27.7Very low134 Ų134147.4 Ų147.482%0.82280%0.802SS**  trans-132.8-145.5-154.349.90000115.6
36P49.2Very low27.8Very low112 Ų112148.9 Ų148.973%0.72780%0.8SS**  -135.5178.7-106.544-25.5000118.8
37R26Very low28.6Very low257 Ų257149.8 Ų149.897%0.9780%0.803SS**  trans-169.1161.2151.8-96150.6-166.3-156.42108
38G26.3Very low28.7Very low65 Ų65147 Ų14767%0.6780%0.797SS**  cis143.2122.5-500000111.2
39T27Very low29Very low142 Ų142145.3 Ų145.387%0.87180%0.796SS**  cis-134.4-95.7-0.5-49.40000112.6
40L25Very low29.2Very low131 Ų131144.7 Ų144.769%0.68679%0.792SS**  cis-164.9106.6-12.6-152.5-178.4000111.1
41Q26.1Very low29.5Very low165 Ų165148.3 Ų148.377%0.77179%0.794SS**  trans64157.7162.1-85.7177.813.600120.7
42L28.3Very low29.7Very low148 Ų148145.8 Ų145.878%0.77579%0.787SS**  cis-138.3176.8-5.1-102.8176.2000108.8
43P33.5Very low29.9Very low99 Ų99148.9 Ų148.964%0.64379%0.792SS**  trans-123.2171.1-159.635.6-19.4000117.2
44W24.3Very low30.6Very low233 Ų233144.2 Ų144.288%0.88378%0.784SS**  173.6147.5123.2-103.361.7000112.4
45S29.1Very low31.3Very low92 Ų92142.6 Ų142.664%0.64378%0.783SS**  trans22.2116.6159.7580000121.4
46S28Very low31.9Very low113 Ų113143.3 Ų143.379%0.7978%0.781SS**  -169.1146.5103.5-81.80000112.9
47I42.6Very low31.3Very low167 Ų167143.4 Ų143.486%0.85678%0.782SS**  trans-71.6126.5171.5-62.5166.4000108.6
48N28.8Very low31.8Very low150 Ų150142 Ų14280%0.80278%0.776SS**  trans-127108.9163.5-95-53.6000109.7V50N48-V50 PolarHBondContact O-N 2.83Å
49S30.5Very low32.5Very low103 Ų103144 Ų14472%0.7278%0.778SS**  trans-65126.7175.2-179.50000109.7R51S49-R51 PolarHBondContact O-N 3.49Å
50V32.3Very low33.2Very low133 Ų133144.3 Ų144.381%0.80677%0.767SS**  trans-71.785.5172.2-1780000107.8N48 T52N48-V50 PolarHBondContact O-N 2.83Å; V50-T52 PolarHBondContact O-N 2.94Å
51R33.1Very low34Very low230 Ų230143 Ų14387%0.86877%0.769SS**  trans-69.897.9178.1-150.6179-164.1-173.94.8108.1S49 M53S49-R51 PolarHBondContact O-N 3.49Å; R51-M53 PolarHBondContact O-N 2.93Å
52T33.6Very low35.3Very low124 Ų124143.8 Ų143.876%0.76177%0.77SS**  trans-50.5112.9171.5-550000108.5V50 A54V50-T52 PolarHBondContact O-N 2.94Å; T52-A54 VanDerWaalsContact C-N 3.27Å; T52-A54 PolarHBondContact O-N 3.43Å
53M30.3Very low36.9Very low174 Ų174144.7 Ų144.786%0.85777%0.771SS**  trans-68.589.1176.5-75.9-83.3-82.600108.1R51 V55R51-M53 PolarHBondContact O-N 2.93Å; M53-V55 PolarHBondContact O-N 2.92Å; M53-V55 VanDerWaalsContact O-N 3.08Å
54A38.8Very low39Very low80 Ų80142.3 Ų142.366%0.66176%0.755SS**  trans-56.6115.2171.800000108T52 L56T52-A54 VanDerWaalsContact C-N 3.27Å; T52-A54 PolarHBondContact O-N 3.43Å; A54-L56 VanDerWaalsContact C-N 3.33Å; A54-L56 PolarHBondContact O-N 3.05Å
55V38.9Very low42.1Very low142 Ų142137.2 Ų137.286%0.86174%0.736SS**  trans-69.794.7-179.8-1790000107.6M53M53-V55 PolarHBondContact O-N 2.92Å; M53-V55 VanDerWaalsContact O-N 3.08Å
56L37.6Very low45.2Very low149 Ų149134 Ų13478%0.7871%0.711SS**  trans-57.2130.4174.1-68.9173.8000108.6A54 W58A54-L56 VanDerWaalsContact C-N 3.33Å; A54-L56 PolarHBondContact O-N 3.05Å; L56-W58 PolarHBondContact O-N 2.93Å; L56-W58 VanDerWaalsContact O-N 3.11Å
57P37.9Very low48.4Very low114 Ų114130.4 Ų130.474%0.7468%0.682SS**  trans-62.2119.1177.625.5-33000108.9P59P57-P59 VanDerWaalsContact O-CD 3.31Å; P57-P59 WeakPolarHBondContact O-CD 3.4Å; P57-P59 VanDerWaalsContact O-N 3.11Å
58W36.6Very low51Low227 Ų227122.5 Ų122.586%0.8664%0.641SS**  trans-58.8114.7-177.9-153.4-31.3000108.5L56 F60L56-W58 PolarHBondContact O-N 2.93Å; L56-W58 VanDerWaalsContact O-N 3.11Å; W58-F60 PolarHBondContact O-N 2.77Å
59P40Very low54.2Low107 Ų107119 Ų11970%0.69562%0.622SS**SBendtrans-70.66.9-161.624.4-35.6000115.9P57P57-P59 VanDerWaalsContact O-CD 3.31Å; P57-P59 WeakPolarHBondContact O-CD 3.4Å; P57-P59 VanDerWaalsContact O-N 3.11Å
60F40.9Very low57.4Low149 Ų149116.7 Ų116.765%0.65460%0.604SS**  trans-12960.5-177.8-62.1-68.2000111.9W58 F62W58-F60 PolarHBondContact O-N 2.77Å; F60-F62 HydrophobicContact CB-CD2 4.06Å; F60-F62 HydrophobicContact CB-CE2 3.95Å; F60-F62 HydrophobicContact CD1-CE2 4.44Å; F60-F62 HydrophobicContact CG-CE2 4.46Å; F60-F62 PolarHBondContact O-N 2.59Å
61S42.3Very low60.5Low103 Ų103111.2 Ų111.272%0.7257%0.571SS**  trans-68.984.3161.5-169.80000109.4Q63S61-Q63 PolarHBondContact O-N 3.21Å
62F52.8Low63.6Low183 Ų183105.3 Ų105.380%0.80356%0.564SS**  trans-67.681.4172.8-84.4-83.4000110F60F60-F62 HydrophobicContact CB-CD2 4.06Å; F60-F62 HydrophobicContact CB-CE2 3.95Å; F60-F62 HydrophobicContact CD1-CE2 4.44Å; F60-F62 HydrophobicContact CG-CE2 4.46Å; F60-F62 PolarHBondContact O-N 2.59Å
63Q62.3Low66.7Low167 Ų167100.9 Ų100.978%0.7854%0.539SS*.PPolyproline II helixtrans-60.4132168.4-68.2-164.3-1.600109.4S61 R65S61-Q63 PolarHBondContact O-N 3.21Å; Q63-R65 PolarHBondContact O-N 2.7Å
64P78.6Confident69.9Low49 Ų4992.9 Ų92.932%0.31850%0.499SS..PPolyproline II helixtrans-69.7121.2-179.228.5-33.9000109.9D66 Y109 L113P64-D66 PolarHBondContact O-N 3Å; P64-Y109 HydrophobicContact CB-CD1 3.77Å; P64-Y109 HydrophobicContact CB-CE1 3.99Å; P64-Y109 HydrophobicContact CB-CG 4.44Å; P64-Y109 HydrophobicContact CG-CD1 4.2Å; P64-Y109 HydrophobicContact CG-CE1 3.94Å; P64-Y109 VanDerWaalsContact O-CE1 3.31Å; P64-Y109 WeakPolarHBondContact O-CE1 3.12Å; P64-L113 HydrophobicContact CG-CD2 4.34Å
65R88.7Confident72.8Confident126 Ų12690.4 Ų90.448%0.47548%0.481SS..PPolyproline II helixtrans-59.3121.5175.7176.9178.5178.2179.60.8110.2Q63 F67 Y109Q63-R65 PolarHBondContact O-N 2.7Å; R65-F67 HydrophobicContact CB-CE2 4.04Å; R65-F67 HydrophobicContact CB-CZ 4.49Å; R65-F67 HydrophobicContact CG-CD2 4.29Å; R65-F67 HydrophobicContact CG-CE2 4.05Å; R65-F67 HydrophobicContact CG-CZ 4.31Å; R65-F67 WeakPolarHBondContact O-CD2 3.31Å; R65-F67 VanDerWaalsContact O-CE2 3.29Å; R65-F67 WeakPolarHBondContact O-CE2 3.31Å; R65-Y109 WeakPolarHBondContact O-CD1 3.26Å
66D93.8Very high75.6Confident23 Ų2388.3 Ų88.312%0.12347%0.472CS..PPolyproline II helixtrans-74.6125.4164.8-1740.7000109.4P64 S68 L69 R105 P107 S108 Y109P64-D66 PolarHBondContact O-N 3Å; D66-S68 VanDerWaalsContact CG-OG 3.28Å; D66-S68 WeakPolarHBondContact OD1-CB 3.45Å; D66-S68 PolarHBondContact OD1-N 3.18Å; D66-S68 PolarHBondContact OD1-OG 2.83Å; D66-S68 PolarHBondContact OD2-OG 3.5Å; D66-L69 HydrophobicContact CB-CD1 4.11Å; D66-L69 HydrophobicContact CB-CG 4.28Å; D66-R105 IonicContact OD2-CZ 2.74Å; D66-R105 IonicContact OD2-NH1 3.26Å; D66-R105 PolarHBondContact OD2-NH1 3.29Å; D66-R105 IonicContact OD2-NH2 3.35Å; D66-P107 WeakPolarHBondContact OD1-CA 3.37Å; D66-P107 WeakPolarHBondContact OD2-CA 3.36Å; D66-P107 WeakPolarHBondContact OD2-CB 3.38Å; D66-S108 PolarHBondContact OD1-N 3.4Å; D66-Y109 HydrophobicContact CB-CE1 4.13Å
67F95.8Very high78.5Confident39 Ų3983.5 Ų83.517%0.17145%0.448CS..SBendtrans-97.21.4178.6-69-101.7000112.4R65 S108 N110 R135R65-F67 HydrophobicContact CB-CE2 4.04Å; R65-F67 HydrophobicContact CB-CZ 4.49Å; R65-F67 HydrophobicContact CG-CD2 4.29Å; R65-F67 HydrophobicContact CG-CE2 4.05Å; R65-F67 HydrophobicContact CG-CZ 4.31Å; R65-F67 WeakPolarHBondContact O-CD2 3.31Å; R65-F67 VanDerWaalsContact O-CE2 3.29Å; R65-F67 WeakPolarHBondContact O-CE2 3.31Å; F67-S108 WeakPolarHBondContact CB-O 3.23Å; F67-S108 PolarHBondContact N-O 3.4Å; F67-N110 HydrophobicContact CD2-CB 4.39Å; F67-N110 HydrophobicContact CE2-CB 3.81Å; F67-N110 HydrophobicContact CZ-CB 4.14Å; F67-R135 VanDerWaalsContact O-CZ 3.24Å; F67-R135 PolarHBondContact O-NH1 2.86Å; F67-R135 PolarHBondContact O-NH2 3.26Å; F67-R135 VanDerWaalsContact O-NH2 3.1Å
68S96.9Very high81.4Confident1 Ų178.1 Ų78.11%0.00741%0.413CS..SBendtrans-94.49.8173.471.80000114D66 R105 L106D66-S68 VanDerWaalsContact CG-OG 3.28Å; D66-S68 WeakPolarHBondContact OD1-CB 3.45Å; D66-S68 PolarHBondContact OD1-N 3.18Å; D66-S68 PolarHBondContact OD1-OG 2.83Å; D66-S68 PolarHBondContact OD2-OG 3.5Å; S68-R105 PolarHBondContact OG-NH1 2.94Å; S68-L106 PolarHBondContact OG-O 3.14Å
69L97.2Very high84.3Confident75 Ų7570.8 Ų70.839%0.39339%0.385SS..SBendtrans-93.5148.6171.8-69173.8000110.6D66 W74D66-L69 HydrophobicContact CB-CD1 4.11Å; D66-L69 HydrophobicContact CB-CG 4.28Å; L69-W74 WeakPolarHBondContact O-CZ2 3.47Å
70P97.8Very high87.1Confident55 Ų5572.5 Ų72.536%0.35738%0.378SS..  trans-56.5141.3178.1-23.833000112.8W74 Y82P70-W74 HydrophobicContact CB-CD2 4.34Å; P70-W74 HydrophobicContact CB-CE3 3.83Å; P70-W74 HydrophobicContact CB-CZ3 3.93Å; P70-W74 HydrophobicContact CG-CE3 4.06Å; P70-W74 HydrophobicContact CG-CH2 4.26Å; P70-W74 HydrophobicContact CG-CZ3 3.67Å; P70-Y82 HydrophobicContact CG-CD1 3.74Å; P70-Y82 HydrophobicContact CG-CD2 4.17Å; P70-Y82 HydrophobicContact CG-CE1 3.64Å; P70-Y82 HydrophobicContact CG-CE2 4.04Å; P70-Y82 HydrophobicContact CG-CG 4.05Å
71N97.5Very high89.8Confident19 Ų1966.2 Ų66.210%0.10235%0.351CS..  trans-134.7-175.517368.470.2000111S73 W74 R79 Q140 E145N71-S73 VanDerWaalsContact C-N 3.27Å; N71-S73 PolarHBondContact O-N 2.96Å; N71-S73 WeakPolarHBondContact OD1-CB 3.44Å; N71-S73 PolarHBondContact OD1-N 2.93Å; N71-S73 PolarHBondContact OD1-OG 2.94Å; N71-W74 PolarHBondContact ND2-NE1 2.86Å; N71-W74 VanDerWaalsContact ND2-NE1 3.13Å; N71-R79 VanDerWaalsContact O-CZ 3.28Å; N71-R79 PolarHBondContact O-NH1 2.98Å; N71-R79 PolarHBondContact O-NH2 2.91Å; N71-Q140 VanDerWaalsContact CB-OE1 3.24Å; N71-E145 PolarHBondContact ND2-OE2 2.98Å
72S97.8Very high92.5Very high105 Ų10562.5 Ų62.573%0.73432%0.321SS*.THydrogen-bonded Turntrans-66.3-24.5-175.349.40000114.1R79S72-R79 PolarHBondContact O-NH2 3.45Å
73S98.2Very high94.6Very high32 Ų3259.4 Ų59.422%0.22431%0.309CS..THydrogen-bonded Turntrans-81.6-12.3-175.870.80000115.6N71 G75 G141 Q162N71-S73 VanDerWaalsContact C-N 3.27Å; N71-S73 PolarHBondContact O-N 2.96Å; N71-S73 WeakPolarHBondContact OD1-CB 3.44Å; N71-S73 PolarHBondContact OD1-N 2.93Å; N71-S73 PolarHBondContact OD1-OG 2.94Å; S73-G75 PolarHBondContact O-N 2.82Å; S73-G141 VanDerWaalsContact CB-CA 3.46Å; S73-G141 WeakPolarHBondContact OG-CA 3.49Å; S73-G141 PolarHBondContact OG-N 3.13Å; S73-G141 VanDerWaalsContact OG-N 3.1Å; S73-Q162 PolarHBondContact O-NE2 2.79Å
74W98.5Very high96.3Very high6 Ų656.2 Ų56.22%0.02329%0.294CS..  trans-71.1131.2-177.6-69.116.8000110.9L69 P70 N71 M78 R79 Y82 E145 V147L69-W74 WeakPolarHBondContact O-CZ2 3.47Å; P70-W74 HydrophobicContact CB-CD2 4.34Å; P70-W74 HydrophobicContact CB-CE3 3.83Å; P70-W74 HydrophobicContact CB-CZ3 3.93Å; P70-W74 HydrophobicContact CG-CE3 4.06Å; P70-W74 HydrophobicContact CG-CH2 4.26Å; P70-W74 HydrophobicContact CG-CZ3 3.67Å; N71-W74 PolarHBondContact ND2-NE1 2.86Å; N71-W74 VanDerWaalsContact ND2-NE1 3.13Å; W74-M78 HydrophobicContact CB-CB 4.25Å; W74-M78 HydrophobicContact CB-CG 4.38Å; W74-M78 HydrophobicContact CB-SD 4.08Å; W74-M78 HydrophobicContact CD2-CE 3.67Å; W74-M78 HydrophobicContact CD2-CG 3.86Å; W74-M78 HydrophobicContact CD2-SD 3.44Å; W74-M78 HydrophobicContact CE3-CB 4.49Å; W74-M78 HydrophobicContact CE3-CE 3.99Å; W74-M78 HydrophobicContact CE3-CG 3.73Å; W74-M78 HydrophobicContact CE3-SD 3.95Å; W74-M78 HydrophobicContact CG-CE 4.29Å; W74-M78 HydrophobicContact CG-CG 4.16Å; W74-M78 HydrophobicContact CG-SD 3.49Å; W74-M78 HydrophobicContact CH2-CE 3.84Å; W74-M78 HydrophobicContact CZ2-CE 3.47Å; W74-M78 VanDerWaalsContact CZ2-CE 3.47Å; W74-M78 HydrophobicContact CZ2-SD 4.38Å; W74-M78 HydrophobicContact CZ3-CE 4.07Å; W74-M78 HydrophobicContact CZ3-CG 4.31Å; W74-R79 HydrophobicContact CB-CG 4.09Å; W74-R79 PolarHBondContact O-NE 2.9Å; W74-R79 PolarHBondContact O-NH2 3.34Å; W74-Y82 AromaticContact CH2-CD2 3.85Å; W74-Y82 HydrophobicContact CH2-CD2 3.85Å; W74-Y82 HydrophobicContact CH2-CE2 4.37Å; W74-Y82 AromaticContact CZ3-CD2 3.58Å; W74-Y82 HydrophobicContact CZ3-CD2 3.58Å; W74-Y82 HydrophobicContact CZ3-CE2 4.36Å; W74-Y82 AromaticContact CZ3-CG 3.79Å; W74-Y82 HydrophobicContact CZ3-CG 3.79Å; W74-E145 PolarHBondContact NE1-OE2 3.46Å; W74-V147 HydrophobicContact CH2-CB 4.22Å; W74-V147 HydrophobicContact CH2-CG1 4.31Å
75G98.4Very high97.1Very high27 Ų2755.1 Ų55.128%0.27828%0.284SS..  trans-68.5167.7172.700000112.3S73 D77 M78 R79S73-G75 PolarHBondContact O-N 2.82Å; G75-D77 VanDerWaalsContact C-N 3.26Å; G75-D77 PolarHBondContact O-N 2.89Å; G75-M78 PolarHBondContact O-N 2.81Å; G75-R79 WeakPolarHBondContact O-CG 3.43Å; G75-R79 PolarHBondContact O-N 2.66Å; G75-R79 VanDerWaalsContact O-N 3.11Å
76S98.3Very high97.5Very high98 Ų9851.8 Ų51.869%0.68528%0.275SS*.Hα-helixtrans-53.3-44175.545.30000112.1R79 R80S76-R79 PolarHBondContact O-N 2.88Å; S76-R80 VanDerWaalsContact O-CB 3.24Å; S76-R80 WeakPolarHBondContact O-CB 3.37Å; S76-R80 PolarHBondContact O-N 3Å
77D98.4Very high97.5Very high49 Ų4954.6 Ų54.626%0.26230%0.296SS..Hα-helixtrans-62.6-44.8178.2-93.4-14.3000113.8G75 R79 R80 L81 T216 T240G75-D77 VanDerWaalsContact C-N 3.26Å; G75-D77 PolarHBondContact O-N 2.89Å; D77-R79 VanDerWaalsContact C-N 3.32Å; D77-R79 PolarHBondContact O-N 2.97Å; D77-R80 PolarHBondContact O-N 3.22Å; D77-R80 IonicContact OD1-CZ 2.7Å; D77-R80 IonicContact OD1-NE 3.48Å; D77-R80 PolarHBondContact OD1-NE 2.81Å; D77-R80 IonicContact OD1-NH2 2.66Å; D77-R80 PolarHBondContact OD1-NH2 2.69Å; D77-L81 WeakPolarHBondContact O-CB 3.1Å; D77-L81 WeakPolarHBondContact O-CG 3.24Å; D77-L81 PolarHBondContact O-N 2.83Å; D77-T216 HydrophobicContact CB-CG2 4.35Å; D77-T240 HydrophobicContact CB-CG2 4.02Å; D77-T240 PolarHBondContact OD2-OG1 3.1Å
78M98.4Very high97.4Very high0 Ų055.3 Ų55.30%030%0.3CS..Hα-helixtrans-65.2-38178.8-169.8177.3-176.200111.7W74 G75 Y82 E145 V160 Q162 T216W74-M78 HydrophobicContact CB-CB 4.25Å; W74-M78 HydrophobicContact CB-CG 4.38Å; W74-M78 HydrophobicContact CB-SD 4.08Å; W74-M78 HydrophobicContact CD2-CE 3.67Å; W74-M78 HydrophobicContact CD2-CG 3.86Å; W74-M78 HydrophobicContact CD2-SD 3.44Å; W74-M78 HydrophobicContact CE3-CB 4.49Å; W74-M78 HydrophobicContact CE3-CE 3.99Å; W74-M78 HydrophobicContact CE3-CG 3.73Å; W74-M78 HydrophobicContact CE3-SD 3.95Å; W74-M78 HydrophobicContact CG-CE 4.29Å; W74-M78 HydrophobicContact CG-CG 4.16Å; W74-M78 HydrophobicContact CG-SD 3.49Å; W74-M78 HydrophobicContact CH2-CE 3.84Å; W74-M78 HydrophobicContact CZ2-CE 3.47Å; W74-M78 VanDerWaalsContact CZ2-CE 3.47Å; W74-M78 HydrophobicContact CZ2-SD 4.38Å; W74-M78 HydrophobicContact CZ3-CE 4.07Å; W74-M78 HydrophobicContact CZ3-CG 4.31Å; G75-M78 PolarHBondContact O-N 2.81Å; M78-Y82 VanDerWaalsContact O-CB 3.29Å; M78-Y82 WeakPolarHBondContact O-CB 3.46Å; M78-Y82 PolarHBondContact O-N 2.81Å; M78-E145 VanDerWaalsContact CE-C 3.47Å; M78-E145 HydrophobicContact CE-CB 4.12Å; M78-E145 WeakPolarHBondContact CE-O 3.35Å; M78-E145 HydrophobicContact SD-CB 4.04Å; M78-V160 HydrophobicContact CB-CG1 4.49Å; M78-V160 HydrophobicContact CG-CG1 3.91Å; M78-Q162 HydrophobicContact CG-CB 4.49Å; M78-Q162 HydrophobicContact SD-CB 3.53Å; M78-Q162 VanDerWaalsContact SD-CB 3.53Å; M78-T216 HydrophobicContact CB-CG2 4.08Å
79R98.6Very high97.2Very high74 Ų7455.7 Ų55.728%0.27930%0.303SS..Hα-helixtrans-66.2-50.3173.8-64.7173.8-160.3-76.7-4.3111.4N71 S72 W74 G75 S76 D77 L81 Y82 E83N71-R79 VanDerWaalsContact O-CZ 3.28Å; N71-R79 PolarHBondContact O-NH1 2.98Å; N71-R79 PolarHBondContact O-NH2 2.91Å; S72-R79 PolarHBondContact O-NH2 3.45Å; W74-R79 HydrophobicContact CB-CG 4.09Å; W74-R79 PolarHBondContact O-NE 2.9Å; W74-R79 PolarHBondContact O-NH2 3.34Å; G75-R79 WeakPolarHBondContact O-CG 3.43Å; G75-R79 PolarHBondContact O-N 2.66Å; G75-R79 VanDerWaalsContact O-N 3.11Å; S76-R79 PolarHBondContact O-N 2.88Å; D77-R79 VanDerWaalsContact C-N 3.32Å; D77-R79 PolarHBondContact O-N 2.97Å; R79-L81 VanDerWaalsContact C-N 3.33Å; R79-L81 PolarHBondContact O-N 2.05Å; R79-Y82 WeakPolarHBondContact O-CB 3.47Å; R79-Y82 PolarHBondContact O-N 2.91Å; R79-Y82 VanDerWaalsContact O-N 3.12Å; R79-E83 WeakPolarHBondContact O-CB 3.49Å; R79-E83 WeakPolarHBondContact O-CG 3.17Å; R79-E83 PolarHBondContact O-N 2.83Å
80R98.4Very high96.6Very high143 Ų14357 Ų5754%0.5431%0.307SS..Hα-helixtrans-53.6-46.5177.6177.7171.470.1129.9-4.6112.3S76 D77 H84S76-R80 VanDerWaalsContact O-CB 3.24Å; S76-R80 WeakPolarHBondContact O-CB 3.37Å; S76-R80 PolarHBondContact O-N 3Å; D77-R80 PolarHBondContact O-N 3.22Å; D77-R80 IonicContact OD1-CZ 2.7Å; D77-R80 IonicContact OD1-NE 3.48Å; D77-R80 PolarHBondContact OD1-NE 2.81Å; D77-R80 IonicContact OD1-NH2 2.66Å; D77-R80 PolarHBondContact OD1-NH2 2.69Å; R80-H84 WeakPolarHBondContact O-CB 3.46Å; R80-H84 PolarHBondContact O-N 3.32Å
81L98.3Very high95.8Very high17 Ų1757.8 Ų57.89%0.08931%0.311CS..Hα-helixtrans-71.5-39.1177.1-71.6173.6000112.5D77 R79 H84 Y85 V160 T216 L218 T240D77-L81 WeakPolarHBondContact O-CB 3.1Å; D77-L81 WeakPolarHBondContact O-CG 3.24Å; D77-L81 PolarHBondContact O-N 2.83Å; R79-L81 VanDerWaalsContact C-N 3.33Å; R79-L81 PolarHBondContact O-N 2.05Å; L81-H84 PolarHBondContact O-N 3.38Å; L81-Y85 VanDerWaalsContact O-CD2 3.25Å; L81-Y85 WeakPolarHBondContact O-CD2 3.2Å; L81-Y85 PolarHBondContact O-N 3.2Å; L81-Y85 VanDerWaalsContact O-N 3.14Å; L81-V160 HydrophobicContact CB-CB 4.43Å; L81-V160 HydrophobicContact CB-CG1 3.81Å; L81-V160 HydrophobicContact CB-CG2 3.69Å; L81-V160 HydrophobicContact CD1-CG1 3.88Å; L81-V160 HydrophobicContact CD1-CG2 4.48Å; L81-T216 HydrophobicContact CD1-CG2 4.2Å; L81-L218 HydrophobicContact CD1-CD1 4.41Å; L81-T240 HydrophobicContact CD1-CG2 3.66Å
82Y98.3Very high94.8Very high25 Ų2563 Ų6310%0.09833%0.334CS..Hα-helixtrans-58-49172.4171.8-82.8000111.4P70 W74 M78 R79 H84 Y85 N86 V147 F149P70-Y82 HydrophobicContact CG-CD1 3.74Å; P70-Y82 HydrophobicContact CG-CD2 4.17Å; P70-Y82 HydrophobicContact CG-CE1 3.64Å; P70-Y82 HydrophobicContact CG-CE2 4.04Å; P70-Y82 HydrophobicContact CG-CG 4.05Å; W74-Y82 AromaticContact CH2-CD2 3.85Å; W74-Y82 HydrophobicContact CH2-CD2 3.85Å; W74-Y82 HydrophobicContact CH2-CE2 4.37Å; W74-Y82 AromaticContact CZ3-CD2 3.58Å; W74-Y82 HydrophobicContact CZ3-CD2 3.58Å; W74-Y82 HydrophobicContact CZ3-CE2 4.36Å; W74-Y82 AromaticContact CZ3-CG 3.79Å; W74-Y82 HydrophobicContact CZ3-CG 3.79Å; M78-Y82 VanDerWaalsContact O-CB 3.29Å; M78-Y82 WeakPolarHBondContact O-CB 3.46Å; M78-Y82 PolarHBondContact O-N 2.81Å; R79-Y82 WeakPolarHBondContact O-CB 3.47Å; R79-Y82 PolarHBondContact O-N 2.91Å; R79-Y82 VanDerWaalsContact O-N 3.12Å; Y82-H84 PolarHBondContact O-N 2.73Å; Y82-Y85 PolarHBondContact O-N 3.46Å; Y82-N86 HydrophobicContact CD1-CB 4.24Å; Y82-N86 HydrophobicContact CE1-CB 3.92Å; Y82-N86 WeakPolarHBondContact O-CB 3.46Å; Y82-N86 PolarHBondContact O-N 2.91Å; Y82-N86 PolarHBondContact OH-OD1 2.99Å; Y82-V147 HydrophobicContact CD2-CB 4.32Å; Y82-V147 HydrophobicContact CD2-CG1 4.1Å; Y82-V147 HydrophobicContact CD2-CG2 4.04Å; Y82-V147 HydrophobicContact CE2-CG2 4.25Å; Y82-F149 HydrophobicContact CD2-CZ 4.06Å; Y82-F149 HydrophobicContact CE2-CZ 4.49Å
83E97.7Very high93.6Very high117 Ų11759.9 Ų59.955%0.54731%0.311SS..Hα-helixtrans-62.5-42.4-179.4-73.2159.1-155.500111.3R79 Y85 N86 S87R79-E83 WeakPolarHBondContact O-CB 3.49Å; R79-E83 WeakPolarHBondContact O-CG 3.17Å; R79-E83 PolarHBondContact O-N 2.83Å; E83-Y85 PolarHBondContact O-N 2.97Å; E83-N86 PolarHBondContact O-N 2.8Å; E83-S87 WeakPolarHBondContact O-CB 3.39Å; E83-S87 PolarHBondContact O-N 3.38Å; E83-S87 PolarHBondContact O-OG 2.94Å; E83-S87 VanDerWaalsContact O-OG 3.13Å
84H96.4Very high92.4Very high100 Ų10066.7 Ų66.746%0.46335%0.345SS..Hα-helixtrans-58.6-45.8175.4174.273.5000113.4R80 L81 Y82 S87 Q88R80-H84 WeakPolarHBondContact O-CB 3.46Å; R80-H84 PolarHBondContact O-N 3.32Å; L81-H84 PolarHBondContact O-N 3.38Å; Y82-H84 PolarHBondContact O-N 2.73Å; H84-S87 PolarHBondContact O-OG 2.98Å; H84-S87 VanDerWaalsContact O-OG 3.07Å; H84-Q88 PolarHBondContact CE1-NE2 3.19Å; H84-Q88 VanDerWaalsContact CE1-NE2 3.32Å; H84-Q88 PolarHBondContact NE2-NE2 2.7Å; H84-Q88 VanDerWaalsContact NE2-NE2 3.12Å; H84-Q88 PolarHBondContact O-NE2 2.87Å
85Y96.6Very high91.5Very high27 Ų2773 Ų7311%0.10638%0.379CS..Hα-helixtrans-81.9-29.8179.1-72.2-67.8000113.1L81 Y82 E83 Q88 C89 W103 F149 V158 V160 L218L81-Y85 VanDerWaalsContact O-CD2 3.25Å; L81-Y85 WeakPolarHBondContact O-CD2 3.2Å; L81-Y85 PolarHBondContact O-N 3.2Å; L81-Y85 VanDerWaalsContact O-N 3.14Å; Y82-Y85 PolarHBondContact O-N 3.46Å; E83-Y85 PolarHBondContact O-N 2.97Å; Y85-Q88 PolarHBondContact O-N 2.66Å; Y85-C89 PolarHBondContact O-SG 2.8Å; Y85-W103 HydrophobicContact CD1-CD2 4.08Å; Y85-W103 AromaticContact CD1-CE2 3.96Å; Y85-W103 HydrophobicContact CD1-CG 4.32Å; Y85-W103 HydrophobicContact CD1-CZ2 4.45Å; Y85-W103 HydrophobicContact CE1-CD2 4.49Å; Y85-W103 AromaticContact CE1-CE2 3.99Å; Y85-W103 HydrophobicContact CE1-CZ2 4.05Å; Y85-F149 HydrophobicContact CD2-CD2 4.19Å; Y85-F149 HydrophobicContact CD2-CE2 4.26Å; Y85-F149 HydrophobicContact CG-CD2 4.01Å; Y85-F149 HydrophobicContact CG-CE2 4.24Å; Y85-F149 HydrophobicContact CG-CG 4.27Å; Y85-V158 HydrophobicContact CD2-CG1 4.39Å; Y85-V158 HydrophobicContact CE1-CG1 4.32Å; Y85-V158 HydrophobicContact CE2-CG1 3.74Å; Y85-V160 HydrophobicContact CD2-CG2 4.3Å; Y85-L218 HydrophobicContact CE2-CD1 4.04Å
86N95.9Very high90.3Very high56 Ų5674.6 Ų74.630%0.29940%0.395SS..Hα-helixtrans-74.5-32.5-179.7-16793.1000112.2Y82 E83 Q88 C89 F149Y82-N86 HydrophobicContact CD1-CB 4.24Å; Y82-N86 HydrophobicContact CE1-CB 3.92Å; Y82-N86 WeakPolarHBondContact O-CB 3.46Å; Y82-N86 PolarHBondContact O-N 2.91Å; Y82-N86 PolarHBondContact OH-OD1 2.99Å; E83-N86 PolarHBondContact O-N 2.8Å; N86-Q88 PolarHBondContact O-N 3.03Å; N86-C89 WeakPolarHBondContact O-CB 3.48Å; N86-C89 PolarHBondContact O-N 3.35Å; N86-C89 VanDerWaalsContact O-N 3.11Å; N86-F149 HydrophobicContact CB-CE1 4.11Å; N86-F149 HydrophobicContact CB-CZ 4.39Å
87S94.4Very high89.3Confident81 Ų8175.4 Ų75.457%0.56639%0.388SS*.THydrogen-bonded Turntrans-64.9-22171.4630000113.2E83 H84 C89E83-S87 WeakPolarHBondContact O-CB 3.39Å; E83-S87 PolarHBondContact O-N 3.38Å; E83-S87 PolarHBondContact O-OG 2.94Å; E83-S87 VanDerWaalsContact O-OG 3.13Å; H84-S87 PolarHBondContact O-OG 2.98Å; H84-S87 VanDerWaalsContact O-OG 3.07Å; S87-C89 VanDerWaalsContact C-N 3.33Å
88Q94Very high88.2Confident55 Ų5578.9 Ų78.926%0.25740%0.401SS..THydrogen-bonded Turntrans-89.27.6174.4-60.6171.365.300113.5H84 Y85 N86 G101 V102 W103H84-Q88 PolarHBondContact CE1-NE2 3.19Å; H84-Q88 VanDerWaalsContact CE1-NE2 3.32Å; H84-Q88 PolarHBondContact NE2-NE2 2.7Å; H84-Q88 VanDerWaalsContact NE2-NE2 3.12Å; H84-Q88 PolarHBondContact O-NE2 2.87Å; Y85-Q88 PolarHBondContact O-N 2.66Å; N86-Q88 PolarHBondContact O-N 3.03Å; Q88-G101 CarbonylContact O-C 3.54Å; Q88-G101 WeakPolarHBondContact O-CA 3.39Å; Q88-V102 PolarHBondContact O-N 3.03Å; Q88-W103 HydrophobicContact CB-CB 4.39Å; Q88-W103 HydrophobicContact CB-CG 4.4Å; Q88-W103 PolarHBondContact O-N 2.69Å
89C91.7Very high87.4Confident9 Ų983.1 Ų83.16%0.06142%0.419CS..THydrogen-bonded Turntrans-95.4-28.7-180-67.80000114.3Y85 N86 S87 G101 W103 R105Y85-C89 PolarHBondContact O-SG 2.8Å; N86-C89 WeakPolarHBondContact O-CB 3.48Å; N86-C89 PolarHBondContact O-N 3.35Å; N86-C89 VanDerWaalsContact O-N 3.11Å; S87-C89 VanDerWaalsContact C-N 3.33Å; C89-G101 PolarHBondContact O-N 2.9Å; C89-W103 WeakPolarHBondContact CA-O 3.31Å; C89-R105 PolarHBondContact SG-N 2.89Å
90E85.6Confident86.5Confident101 Ų10188.4 Ų88.447%0.47244%0.439SS..EExtended strand (participates in β ladder)trans-125.5131.9172.9-70.8178.2-158.200108.2K98E90-K98 WeakPolarHBondContact OE2-CD 3.48Å; E90-K98 IonicContact OE2-NZ 3.68Å; E90-K98 PolarHBondContact OE2-NZ 3.38Å
91V79.6Confident85.9Confident73 Ų7382.3 Ų82.344%0.44242%0.421SS..EExtended strand (participates in β ladder)trans-120.1121.4174.8-179.10000107.6K99V91-K99 PolarHBondContact N-O 3.23Å; V91-K99 PolarHBondContact O-N 3.36Å
92E76.7Confident85.6Confident128 Ų12884.5 Ų84.560%0.59844%0.435SS*.EExtended strand (participates in β ladder)trans-81.4126.7171.4-73.4166.5-168.700108.2K98E92-K98 HydrophobicContact CG-CG 3.71Å; E92-K98 WeakPolarHBondContact OE1-CE 3.25Å; E92-K98 IonicContact OE1-NZ 2.81Å; E92-K98 PolarHBondContact OE1-NZ 2.92Å
93T74.3Confident85.5Confident39 Ų3984.2 Ų84.224%0.23943%0.434CS..  trans-88.6166.3174.156.60000111.4D95 G96 E97 K99T93-D95 PolarHBondContact O-N 2.96Å; T93-D95 VanDerWaalsContact O-N 3.08Å; T93-G96 WeakPolarHBondContact O-CA 3.25Å; T93-G96 PolarHBondContact O-N 2.82Å; T93-E97 PolarHBondContact N-O 2.67Å; T93-E97 PolarHBondContact OG1-O 2.85Å; T93-K99 HydrophobicContact CG2-CD 3.71Å; T93-K99 HydrophobicContact CG2-CG 4.1Å; T93-K99 PolarHBondContact OG1-NZ 2.86Å
94D73.1Confident85.4Confident175 Ų17583.8 Ų83.894%0.93643%0.427SS*.THydrogen-bonded Turntrans-54.2-31.1-179.7-51.9-46.3000113.2G96D94-G96 PolarHBondContact O-N 3.43Å
95D78.6Confident85.4Confident140 Ų14082.1 Ų82.175%0.74942%0.417SS*.THydrogen-bonded Turntrans-74.30.1174.2-48.6-69.2000115T93 E97T93-D95 PolarHBondContact O-N 2.96Å; T93-D95 VanDerWaalsContact O-N 3.08Å; D95-E97 VanDerWaalsContact C-N 3.3Å; D95-E97 PolarHBondContact O-N 3.03Å
96G74.2Confident85.3Confident59 Ų5982.9 Ų82.961%0.60842%0.423SS*.SBendtrans79-1.1-174.800000115.6T93 D94T93-G96 WeakPolarHBondContact O-CA 3.25Å; T93-G96 PolarHBondContact O-N 2.82Å; D94-G96 PolarHBondContact O-N 3.43Å
97E76.7Confident85.3Confident115 Ų11583.3 Ų83.354%0.53743%0.429SS..  trans-71.1129175-67.2-166.114100112.3T93 D95 K99T93-E97 PolarHBondContact N-O 2.67Å; T93-E97 PolarHBondContact OG1-O 2.85Å; D95-E97 VanDerWaalsContact C-N 3.3Å; D95-E97 PolarHBondContact O-N 3.03Å; E97-K99 PolarHBondContact O-N 3.29Å; E97-K99 VanDerWaalsContact OE2-CE 3.27Å; E97-K99 WeakPolarHBondContact OE2-CE 3.39Å; E97-K99 IonicContact OE2-NZ 3.15Å; E97-K99 PolarHBondContact OE2-NZ 3.29Å
98K74.4Confident85.2Confident122 Ų12280 Ų8053%0.5341%0.405SS..EExtended strand (participates in β ladder)trans-77.3111.6167.4-78.6176.5171.1-72.80110.8E90 E92E90-K98 WeakPolarHBondContact OE2-CD 3.48Å; E90-K98 IonicContact OE2-NZ 3.68Å; E90-K98 PolarHBondContact OE2-NZ 3.38Å; E92-K98 HydrophobicContact CG-CG 3.71Å; E92-K98 WeakPolarHBondContact OE1-CE 3.25Å; E92-K98 IonicContact OE1-NZ 2.81Å; E92-K98 PolarHBondContact OE1-NZ 2.92Å
99K81.3Confident85.1Confident89 Ų8980.4 Ų80.439%0.38741%0.405SS..EExtended strand (participates in β ladder)trans-104.6155.6173.2-62.5-170.917672.80110.8V91 T93 E97 G101V91-K99 PolarHBondContact N-O 3.23Å; V91-K99 PolarHBondContact O-N 3.36Å; T93-K99 HydrophobicContact CG2-CD 3.71Å; T93-K99 HydrophobicContact CG2-CG 4.1Å; T93-K99 PolarHBondContact OG1-NZ 2.86Å; E97-K99 PolarHBondContact O-N 3.29Å; E97-K99 VanDerWaalsContact OE2-CE 3.27Å; E97-K99 WeakPolarHBondContact OE2-CE 3.39Å; E97-K99 IonicContact OE2-NZ 3.15Å; E97-K99 PolarHBondContact OE2-NZ 3.29Å; K99-G101 PolarHBondContact O-N 3.38Å
100W80.6Confident84.8Confident185 Ų18582.5 Ų82.570%0.70142%0.416SS*.EExtended strand (participates in β ladder)trans-70.4128.9177.4-67105.1000110.9R104W100-R104 HydrophobicContact CE3-CG 4.46Å
101G86.6Confident84.6Confident16 Ų1682.3 Ų82.317%0.16541%0.411CS..  trans-75.2-176.5174.500000113.9Q88 C89 K99Q88-G101 CarbonylContact O-C 3.54Å; Q88-G101 WeakPolarHBondContact O-CA 3.39Å; C89-G101 PolarHBondContact O-N 2.9Å; K99-G101 PolarHBondContact O-N 3.38Å
102V91.6Very high83.7Confident63 Ų6383.4 Ų83.438%0.38242%0.422SS..SBendtrans-71.8-31.1-177.8-66.10000113Q88 N151Q88-V102 PolarHBondContact O-N 3.03Å; V102-N151 WeakPolarHBondContact O-CA 3.4Å
103W95.8Very high82.6Confident18 Ų1880.9 Ų80.97%0.06841%0.412CS..EExtended strand (participates in β ladder)trans-94.4153.6171.5-68.898.6000110.5Y85 Q88 C89 F149 V150 N151 K156 V158Y85-W103 HydrophobicContact CD1-CD2 4.08Å; Y85-W103 AromaticContact CD1-CE2 3.96Å; Y85-W103 HydrophobicContact CD1-CG 4.32Å; Y85-W103 HydrophobicContact CD1-CZ2 4.45Å; Y85-W103 HydrophobicContact CE1-CD2 4.49Å; Y85-W103 AromaticContact CE1-CE2 3.99Å; Y85-W103 HydrophobicContact CE1-CZ2 4.05Å; Q88-W103 HydrophobicContact CB-CB 4.39Å; Q88-W103 HydrophobicContact CB-CG 4.4Å; Q88-W103 PolarHBondContact O-N 2.69Å; C89-W103 WeakPolarHBondContact CA-O 3.31Å; W103-F149 HydrophobicContact CE3-CB 3.8Å; W103-F149 HydrophobicContact CZ3-CB 4.44Å; W103-V150 CarbonylContact C-O 3.53Å; W103-V150 WeakPolarHBondContact CA-O 3.41Å; W103-N151 HydrophobicContact CD2-CB 3.92Å; W103-N151 HydrophobicContact CE3-CB 3.69Å; W103-N151 HydrophobicContact CH2-CB 3.83Å; W103-N151 HydrophobicContact CZ2-CB 4.06Å; W103-N151 HydrophobicContact CZ3-CB 3.65Å; W103-K156 HydrophobicContact CH2-CB 4.13Å; W103-V158 HydrophobicContact CH2-CB 4.2Å; W103-V158 HydrophobicContact CH2-CG2 3.52Å; W103-V158 HydrophobicContact CZ2-CG2 4.39Å; W103-V158 HydrophobicContact CZ3-CB 4.07Å; W103-V158 HydrophobicContact CZ3-CG2 3.87Å
104R95.1Very high81.1Confident108 Ų10886.1 Ų86.141%0.40843%0.431SS..EExtended strand (participates in β ladder)trans-135.4128.1161.2-60.9-158.3-53.4-167.16.6110.8W100 F149 V150W100-R104 HydrophobicContact CE3-CG 4.46Å; R104-F149 WeakPolarHBondContact O-CA 3.39Å; R104-V150 PolarHBondContact N-O 2.93Å; R104-V150 PolarHBondContact O-N 2.95Å
105R96.4Very high79.4Confident66 Ų6685.6 Ų85.625%0.24942%0.417CS..EExtended strand (participates in β ladder)trans-65.2138.4170.9-167.1176.960.576.22.9110.4D66 S68 C89 V147 V148 F149D66-R105 IonicContact OD2-CZ 2.74Å; D66-R105 IonicContact OD2-NH1 3.26Å; D66-R105 PolarHBondContact OD2-NH1 3.29Å; D66-R105 IonicContact OD2-NH2 3.35Å; S68-R105 PolarHBondContact OG-NH1 2.94Å; C89-R105 PolarHBondContact SG-N 2.89Å; R105-V147 HydrophobicContact CG-CG2 3.66Å; R105-V148 WeakPolarHBondContact CA-O 3.39Å; R105-F149 HydrophobicContact CB-CD1 3.71Å; R105-F149 HydrophobicContact CB-CE1 3.64Å; R105-F149 HydrophobicContact CG-CD1 4.05Å; R105-F149 HydrophobicContact CG-CE1 3.73Å; R105-F149 HydrophobicContact CG-CZ 4.25Å
106L95.2Very high77.4Confident43 Ų4382.1 Ų82.123%0.22541%0.408CS..EExtended strand (participates in β ladder)trans-103.4125.5174.6-60.9-177.6000110.1S68 V148 V150 T189S68-L106 PolarHBondContact OG-O 3.14Å; L106-V148 HydrophobicContact CB-CB 4.41Å; L106-V148 HydrophobicContact CD1-CG1 4.11Å; L106-V148 PolarHBondContact N-O 3.09Å; L106-V150 HydrophobicContact CD1-CG1 3.75Å; L106-V150 HydrophobicContact CD1-CG2 4.19Å; L106-V150 HydrophobicContact CD2-CG2 3.89Å; L106-V150 HydrophobicContact CG-CG1 4.37Å; L106-V150 HydrophobicContact CG-CG2 4.06Å; L106-T189 HydrophobicContact CD1-CG2 3.45Å; L106-T189 VanDerWaalsContact CD1-CG2 3.45Å
107P94.9Very high75.6Confident65 Ų6587.2 Ų87.242%0.42243%0.427SS..PPolyproline II helixtrans-69.6149.9176.130.6-35.4000111.2D66 Y109D66-P107 WeakPolarHBondContact OD1-CA 3.37Å; D66-P107 WeakPolarHBondContact OD2-CA 3.36Å; D66-P107 WeakPolarHBondContact OD2-CB 3.38Å; P107-Y109 HydrophobicContact CB-CE1 4.48Å; P107-Y109 HydrophobicContact CB-CE2 3.99Å; P107-Y109 HydrophobicContact CG-CE2 4.06Å
108S93.8Very high73.9Confident11 Ų1184.7 Ų84.78%0.07743%0.432CS..  trans-129.8113.9-174.5-174.90000110.6D66 F67 R135 Y146D66-S108 PolarHBondContact OD1-N 3.4Å; F67-S108 WeakPolarHBondContact CB-O 3.23Å; F67-S108 PolarHBondContact N-O 3.4Å; S108-R135 VanDerWaalsContact CB-NH2 3.32Å; S108-R135 PolarHBondContact OG-NE 3.31Å; S108-R135 PolarHBondContact OG-NH2 3.28Å; S108-R135 VanDerWaalsContact OG-NH2 3.14Å; S108-Y146 PolarHBondContact OG-OH 2.84Å
109Y91.3Very high72.3Confident64 Ų6482 Ų8225%0.25144%0.44SS..  trans-109.7147.7-175.9-54.2-68.5000111.4P64 R65 D66 P107 R111P64-Y109 HydrophobicContact CB-CD1 3.77Å; P64-Y109 HydrophobicContact CB-CE1 3.99Å; P64-Y109 HydrophobicContact CB-CG 4.44Å; P64-Y109 HydrophobicContact CG-CD1 4.2Å; P64-Y109 HydrophobicContact CG-CE1 3.94Å; P64-Y109 VanDerWaalsContact O-CE1 3.31Å; P64-Y109 WeakPolarHBondContact O-CE1 3.12Å; R65-Y109 WeakPolarHBondContact O-CD1 3.26Å; D66-Y109 HydrophobicContact CB-CE1 4.13Å; P107-Y109 HydrophobicContact CB-CE1 4.48Å; P107-Y109 HydrophobicContact CB-CE2 3.99Å; P107-Y109 HydrophobicContact CG-CE2 4.06Å; Y109-R111 PolarHBondContact O-N 2.84Å; Y109-R111 VanDerWaalsContact O-N 3.11Å
110N85.9Confident70.4Confident53 Ų5383.5 Ų83.528%0.28346%0.456SS..SBendtrans-71.7-1.3178.671.812.7000115F67 R131 L132 R135F67-N110 HydrophobicContact CD2-CB 4.39Å; F67-N110 HydrophobicContact CE2-CB 3.81Å; F67-N110 HydrophobicContact CZ-CB 4.14Å; N110-R131 CarbonylContact O-C 3.26Å; N110-R131 WeakPolarHBondContact O-CA 3.35Å; N110-R131 WeakPolarHBondContact O-CB 3.34Å; N110-R131 WeakPolarHBondContact O-CD 3.43Å; N110-L132 PolarHBondContact O-N 2.9Å; N110-R135 HydrophobicContact CB-CB 3.94Å; N110-R135 WeakPolarHBondContact CB-O 3.4Å
111R81.3Confident68.4Low97 Ų9782 Ų8237%0.36645%0.451SS..SBendtrans-132.7144.7167.7-66.7-177.9-175.3-93.49.8108.9Y109 L113 S128 R131Y109-R111 PolarHBondContact O-N 2.84Å; Y109-R111 VanDerWaalsContact O-N 3.11Å; R111-L113 VanDerWaalsContact C-N 3.31Å; R111-L113 HydrophobicContact CB-CD1 4.05Å; R111-L113 PolarHBondContact O-N 2.83Å; R111-S128 PolarHBondContact NH1-O 3.41Å; R111-S128 PolarHBondContact NH2-O 3.19Å; R111-R131 VanDerWaalsContact CZ-NH1 3.28Å
112S59.8Low66.1Low96 Ų9686.2 Ų86.267%0.67147%0.469SS*.  trans-70.782.3170.2-45.90000110.9K114S112-K114 PolarHBondContact O-N 2.88Å
113L52.8Low63.7Low75 Ų7588.1 Ų88.139%0.39349%0.485SS..  trans-68.197.1166.6-84.681.7000108.4P64 R111 Y115P64-L113 HydrophobicContact CG-CD2 4.34Å; R111-L113 VanDerWaalsContact C-N 3.31Å; R111-L113 HydrophobicContact CB-CD1 4.05Å; R111-L113 PolarHBondContact O-N 2.83Å; L113-Y115 HydrophobicContact CB-CD2 3.74Å; L113-Y115 HydrophobicContact CB-CE2 3.63Å; L113-Y115 HydrophobicContact CD2-CD2 4.39Å; L113-Y115 HydrophobicContact CD2-CE1 4.37Å; L113-Y115 HydrophobicContact CD2-CE2 3.51Å; L113-Y115 WeakPolarHBondContact CD2-OH 3.36Å; L113-Y115 HydrophobicContact CG-CE2 4.21Å; L113-Y115 PolarHBondContact O-N 2.76Å
114K43.8Very low61Low149 Ų14994.4 Ų94.465%0.64851%0.513SS*.  trans-66.879.6166.2-71.8-174176.5-178.30109.2S112 A116S112-K114 PolarHBondContact O-N 2.88Å; K114-A116 PolarHBondContact O-N 2.88Å
115Y37.9Very low58.8Low164 Ų16496.6 Ų96.664%0.64353%0.531SS*.  trans-70.269.6169.2-77.9-74.5000110.6L113L113-Y115 HydrophobicContact CB-CD2 3.74Å; L113-Y115 HydrophobicContact CB-CE2 3.63Å; L113-Y115 HydrophobicContact CD2-CD2 4.39Å; L113-Y115 HydrophobicContact CD2-CE1 4.37Å; L113-Y115 HydrophobicContact CD2-CE2 3.51Å; L113-Y115 WeakPolarHBondContact CD2-OH 3.36Å; L113-Y115 HydrophobicContact CG-CE2 4.21Å; L113-Y115 PolarHBondContact O-N 2.76Å
116A35.4Very low56.9Low67 Ų6798.5 Ų98.555%0.55455%0.545SS*.  trans-82.7147.6157.200000108.8K114 G118 G119K114-A116 PolarHBondContact O-N 2.88Å; A116-G118 PolarHBondContact O-N 3.36Å; A116-G119 PolarHBondContact O-N 2.79Å
117T36.3Very low55.4Low165 Ų165103.5 Ų103.5100%1.01257%0.568SS**THydrogen-bonded Turntrans-7329.9-176.4-29.30000114.2
118G40.8Very low54.5Low62 Ų62104.8 Ų104.864%0.63958%0.578SS**THydrogen-bonded Turntrans-150.135.6172.400000110.2A116 V120A116-G118 PolarHBondContact O-N 3.36Å; G118-V120 PolarHBondContact O-N 3.5Å
119G42.2Very low53.9Low67 Ų67113.1 Ų113.169%0.69161%0.613SS**  trans-69.652.3-166.500000116.4A116A116-G119 PolarHBondContact O-N 2.79Å
120V40.2Very low53.6Low119 Ų119112 Ų11272%0.72162%0.617SS**  trans-108.3113.2-179.9-1800000108.7G118G118-V120 PolarHBondContact O-N 3.5Å
121Y38.5Very low53.7Low155 Ų155114.3 Ų114.361%0.60862%0.622SS**SBendtrans59.973.9166.6-75.4-114.5000118.2K124Y121-K124 HydrophobicContact CD1-CD 4.04Å; Y121-K124 HydrophobicContact CE1-CD 3.54Å; Y121-K124 PolarHBondContact OH-NZ 3.31Å
122L39.3Very low54.2Low103 Ų103112.4 Ų112.454%0.53962%0.618SS.*SBendtrans-128.9-29.9146.5-98.1124.4000112.9K124 I125 L262L122-K124 PolarHBondContact O-N 3.25Å; L122-I125 PolarHBondContact O-N 3.47Å; L122-L262 HydrophobicContact CD1-CD2 4.21Å; L122-L262 HydrophobicContact CD2-CD2 3.89Å
123S41.8Very low56Low103 Ų103113.6 Ų113.672%0.7261%0.611SS**THydrogen-bonded Turntrans-69.2-10.6179.454.40000115.6
124K38.8Very low58.1Low151 Ų151110.2 Ų110.266%0.65759%0.594SS**THydrogen-bonded Turntrans-83.8-19.6175.3-80.5-170177.4-174.60114.2Y121 L122Y121-K124 HydrophobicContact CD1-CD 4.04Å; Y121-K124 HydrophobicContact CE1-CD 3.54Å; Y121-K124 PolarHBondContact OH-NZ 3.31Å; L122-K124 PolarHBondContact O-N 3.25Å
125I48.6Very low60.6Low154 Ų154103.6 Ų103.679%0.7957%0.565SS**THydrogen-bonded Turntrans-92.5-28.6178.6-62.1174.3000110.5L122 Q127L122-I125 PolarHBondContact O-N 3.47Å; I125-Q127 PolarHBondContact O-N 3.16Å
126I56.9Low63.3Low105 Ų10599.2 Ų99.254%0.53855%0.553SS.*SBendtrans-90.6100-174.4-56.5171.3000110.8
127Q63.9Low66.2Low149 Ų14998.6 Ų98.670%0.69654%0.54SS*.  trans31.189.5164.3-64.4-172.8000116.5I125 K129 A130I125-Q127 PolarHBondContact O-N 3.16Å; Q127-K129 PolarHBondContact O-N 2.83Å; Q127-A130 HydrophobicContact CB-CB 3.91Å; Q127-A130 WeakPolarHBondContact O-CB 3.32Å; Q127-A130 PolarHBondContact O-N 2.87Å
128S74.2Confident68.8Low92 Ų92101.8 Ų101.864%0.64353%0.533SS*.THydrogen-bonded Turntrans-54.4-27.5-179.265.10000115.1R111 R131R111-S128 PolarHBondContact NH1-O 3.41Å; R111-S128 PolarHBondContact NH2-O 3.19Å; S128-R131 PolarHBondContact O-NH1 3.36Å
129K82.3Confident71.5Confident186 Ų186104.6 Ų104.681%0.80953%0.53SS*.THydrogen-bonded Turntrans-79.9-21.3177-66-176.9179.6178.80114.6Q127 R131Q127-K129 PolarHBondContact O-N 2.83Å; K129-R131 PolarHBondContact O-NH1 2.84Å; K129-R131 VanDerWaalsContact O-NH1 3.11Å
130A83.9Confident74.1Confident40 Ų40105.2 Ų105.233%0.33152%0.515SS..  trans-62.6146.4-174.300000113.3Q127Q127-A130 HydrophobicContact CB-CB 3.91Å; Q127-A130 WeakPolarHBondContact O-CB 3.32Å; Q127-A130 PolarHBondContact O-N 2.87Å
131R89.8Confident76.8Confident102 Ų102100.3 Ų100.339%0.38549%0.488SS..  trans-139.2156.7177.7-64-62.6-180-80.9-2.6109.9N110 R111 S128 K129 F133 N136N110-R131 CarbonylContact O-C 3.26Å; N110-R131 WeakPolarHBondContact O-CA 3.35Å; N110-R131 WeakPolarHBondContact O-CB 3.34Å; N110-R131 WeakPolarHBondContact O-CD 3.43Å; R111-R131 VanDerWaalsContact CZ-NH1 3.28Å; S128-R131 PolarHBondContact O-NH1 3.36Å; K129-R131 PolarHBondContact O-NH1 2.84Å; K129-R131 VanDerWaalsContact O-NH1 3.11Å; R131-F133 PolarHBondContact O-N 2.86Å; R131-N136 HydrophobicContact CB-CB 4.13Å
132L91.6Very high79.6Confident57 Ų5792.9 Ų92.930%0.29846%0.459SS..  trans-60.6133.3168176.763.4000109N110 T134 R135 N136N110-L132 PolarHBondContact O-N 2.9Å; L132-T134 PolarHBondContact O-N 3.26Å; L132-R135 HydrophobicContact CB-CB 4.38Å; L132-R135 HydrophobicContact CD2-CG 4.07Å; L132-R135 CarbonylContact O-C 3.24Å; L132-R135 VanDerWaalsContact O-C 3.26Å; L132-R135 WeakPolarHBondContact O-CA 3.29Å; L132-R135 PolarHBondContact O-N 3.41Å; L132-N136 PolarHBondContact O-N 3.13Å; L132-N136 VanDerWaalsContact O-N 3.13Å
133F96.5Very high82.4Confident120 Ų12088.1 Ų88.153%0.52643%0.434SS..G310 helixtrans-59.4-45.2-170.9-180-137000112.7R131 R135 N136 T181R131-F133 PolarHBondContact O-N 2.86Å; F133-R135 PolarHBondContact O-N 3.49Å; F133-R135 VanDerWaalsContact O-N 3.1Å; F133-N136 PolarHBondContact O-N 3.15Å; F133-N136 PolarHBondContact O-ND2 3.4Å; F133-N136 PolarHBondContact O-OD1 3.43Å; F133-T181 HydrophobicContact CD1-CG2 3.53Å; F133-T181 HydrophobicContact CE1-CG2 3.62Å; F133-T181 WeakPolarHBondContact CE1-OG1 3.47Å
134T97.6Very high85.1Confident4 Ų483.9 Ų83.93%0.02540%0.403CS..G310 helixtrans-68.4-4.7175.454.20000114.7L132 F144 Y146 T181 M182 T185L132-T134 PolarHBondContact O-N 3.26Å; T134-F144 HydrophobicContact CG2-CD1 4.46Å; T134-F144 HydrophobicContact CG2-CD2 4.43Å; T134-F144 HydrophobicContact CG2-CG 4.31Å; T134-F144 WeakPolarHBondContact O-CB 3.45Å; T134-Y146 HydrophobicContact CG2-CE1 4.45Å; T134-Y146 PolarHBondContact OG1-OH 3.37Å; T134-T181 HydrophobicContact CG2-CG2 3.66Å; T134-M182 HydrophobicContact CG2-SD 3.88Å; T134-T185 HydrophobicContact CG2-CG2 4.43Å; T134-T185 WeakPolarHBondContact CG2-OG1 3.44Å
135R96.6Very high88Confident11 Ų1177.4 Ų77.44%0.04238%0.375CS..G310 helixtrans-134.229.5-177.8-58.9-64.1-169-178.37.2112.2F67 S108 N110 L132 F133 F144 Y146F67-R135 VanDerWaalsContact O-CZ 3.24Å; F67-R135 PolarHBondContact O-NH1 2.86Å; F67-R135 PolarHBondContact O-NH2 3.26Å; F67-R135 VanDerWaalsContact O-NH2 3.1Å; S108-R135 VanDerWaalsContact CB-NH2 3.32Å; S108-R135 PolarHBondContact OG-NE 3.31Å; S108-R135 PolarHBondContact OG-NH2 3.28Å; S108-R135 VanDerWaalsContact OG-NH2 3.14Å; N110-R135 HydrophobicContact CB-CB 3.94Å; N110-R135 WeakPolarHBondContact CB-O 3.4Å; L132-R135 HydrophobicContact CB-CB 4.38Å; L132-R135 HydrophobicContact CD2-CG 4.07Å; L132-R135 CarbonylContact O-C 3.24Å; L132-R135 VanDerWaalsContact O-C 3.26Å; L132-R135 WeakPolarHBondContact O-CA 3.29Å; L132-R135 PolarHBondContact O-N 3.41Å; F133-R135 PolarHBondContact O-N 3.49Å; F133-R135 VanDerWaalsContact O-N 3.1Å; R135-F144 PolarHBondContact NH1-O 3.25Å; R135-F144 VanDerWaalsContact NH1-O 3.16Å; R135-Y146 HydrophobicContact CG-CE1 4.34Å; R135-Y146 PolarHBondContact NH2-O 3.36Å
136N94.8Very high90.4Very high72 Ų7270.5 Ų70.539%0.38534%0.339SS..  trans-87.9-33.1179.265.3-4.6000113.1R131 L132 F133R131-N136 HydrophobicContact CB-CB 4.13Å; L132-N136 PolarHBondContact O-N 3.13Å; L132-N136 VanDerWaalsContact O-N 3.13Å; F133-N136 PolarHBondContact O-N 3.15Å; F133-N136 PolarHBondContact O-ND2 3.4Å; F133-N136 PolarHBondContact O-OD1 3.43Å
137I95.4Very high92.4Very high54 Ų5465.5 Ų65.528%0.27731%0.313SS..  trans-66.1137.4172.7-68.7162000109.2E139 A142 L166I137-E139 HydrophobicContact CG2-CB 4.49Å; I137-A142 HydrophobicContact CG2-CB 4.03Å; I137-L166 HydrophobicContact CD1-CB 4.37Å; I137-L166 HydrophobicContact CD1-CD1 4.23Å; I137-L166 HydrophobicContact CG2-CD1 4.3Å
138R91.9Very high94Very high232 Ų23258.7 Ų58.788%0.87528%0.282SS*.  trans-97.4-25.9-176.3-62.3-174.1-175.4-173.74.5113.9
139E96.6Very high95.2Very high121 Ų12154.3 Ų54.357%0.56525%0.252SS*.SBendtrans-80.1130.5-178.9-174-177.9144.600109.7I137 A142 H165I137-E139 HydrophobicContact CG2-CB 4.49Å; E139-A142 HydrophobicContact CB-CB 3.73Å; E139-A142 HydrophobicContact CG-CB 3.81Å; E139-A142 PolarHBondContact O-N 2.95Å; E139-H165 IonicContact OE1-CE1 2.66Å; E139-H165 PolarHBondContact OE1-CE1 2.56Å
140Q96.3Very high95.9Very high80 Ų8045.5 Ų45.537%0.37421%0.213SC..THydrogen-bonded Turntrans-76.5129.1-174.9-68172.393.600109.2N71 A142 E145N71-Q140 VanDerWaalsContact CB-OE1 3.24Å; Q140-A142 PolarHBondContact O-N 3.35Å; Q140-E145 WeakPolarHBondContact CA-OE1 3.16Å
141G97.5Very high96.5Very high15 Ų1543.7 Ų43.716%0.15520%0.198CC..THydrogen-bonded Turntrans77.9-2.2-175.900000115.6S73 E145 G164S73-G141 VanDerWaalsContact CB-CA 3.46Å; S73-G141 WeakPolarHBondContact OG-CA 3.49Å; S73-G141 PolarHBondContact OG-N 3.13Å; S73-G141 VanDerWaalsContact OG-N 3.1Å; G141-E145 PolarHBondContact N-OE1 3.12Å; G141-G164 WeakPolarHBondContact O-CA 3.27Å
142A98.1Very high96.5Very high0 Ų046.2 Ų46.20%021%0.212CC..THydrogen-bonded Turntrans-83.4-29.9175.500000112.4I137 E139 Q140 G164 H165 L166I137-A142 HydrophobicContact CG2-CB 4.03Å; E139-A142 HydrophobicContact CB-CB 3.73Å; E139-A142 HydrophobicContact CG-CB 3.81Å; E139-A142 PolarHBondContact O-N 2.95Å; Q140-A142 PolarHBondContact O-N 3.35Å; A142-G164 CarbonylContact O-C 3.58Å; A142-G164 VanDerWaalsContact O-C 3.24Å; A142-H165 PolarHBondContact O-N 3.36Å; A142-L166 HydrophobicContact CB-CD1 3.8Å; A142-L166 HydrophobicContact CB-CG 4.09Å; A142-L166 VanDerWaalsContact O-CB 3.23Å; A142-L166 WeakPolarHBondContact O-CB 3.45Å; A142-L166 PolarHBondContact O-N 3.32Å
143G98.2Very high96.4Very high3 Ų351 Ų513%0.03123%0.233CC..SBendtrans-117.7-136.3-17700000114E145 G164G143-E145 PolarHBondContact O-N 2.7Å; G143-G164 WeakPolarHBondContact O-CA 3.33Å; G143-G164 PolarHBondContact O-N 3.46Å
144F98.6Very high96.3Very high14 Ų1450.1 Ų50.16%0.06123%0.23CC..EExtended strand (participates in β ladder)trans-84.595.4179.8-48.9-96000111.3T134 R135 Y146 F161 L167 A178 T181 M182T134-F144 HydrophobicContact CG2-CD1 4.46Å; T134-F144 HydrophobicContact CG2-CD2 4.43Å; T134-F144 HydrophobicContact CG2-CG 4.31Å; T134-F144 WeakPolarHBondContact O-CB 3.45Å; R135-F144 PolarHBondContact NH1-O 3.25Å; R135-F144 VanDerWaalsContact NH1-O 3.16Å; F144-Y146 HydrophobicContact CB-CD1 4.14Å; F144-F161 HydrophobicContact CB-CE2 4.25Å; F144-F161 AromaticContact CD1-CE2 3.9Å; F144-F161 HydrophobicContact CD1-CE2 3.9Å; F144-F161 HydrophobicContact CD1-CZ 4.13Å; F144-L167 HydrophobicContact CD1-CD1 3.55Å; F144-L167 HydrophobicContact CD1-CD2 4.3Å; F144-L167 HydrophobicContact CD2-CD1 4.42Å; F144-L167 HydrophobicContact CD2-CD2 4.1Å; F144-L167 HydrophobicContact CE1-CD1 3.79Å; F144-L167 HydrophobicContact CE1-CD2 3.93Å; F144-L167 HydrophobicContact CE2-CD2 3.7Å; F144-L167 HydrophobicContact CG-CD1 3.91Å; F144-L167 HydrophobicContact CG-CD2 4.4Å; F144-L167 HydrophobicContact CZ-CD1 4.32Å; F144-L167 HydrophobicContact CZ-CD2 3.61Å; F144-A178 HydrophobicContact CE1-CB 3.96Å; F144-A178 HydrophobicContact CZ-CB 4.29Å; F144-T181 HydrophobicContact CE1-CG2 4.12Å; F144-T181 HydrophobicContact CZ-CG2 4Å; F144-M182 HydrophobicContact CB-SD 4.13Å; F144-M182 HydrophobicContact CD1-CG 3.74Å; F144-M182 HydrophobicContact CD1-SD 3.58Å; F144-M182 VanDerWaalsContact CD1-SD 3.58Å; F144-M182 HydrophobicContact CE1-CG 4.15Å; F144-M182 HydrophobicContact CE1-SD 4.34Å; F144-M182 HydrophobicContact CG-SD 4.18Å
145E98.7Very high96.2Very high14 Ų1453.9 Ų53.97%0.06525%0.247CC..EExtended strand (participates in β ladder)trans-85.3112.8166.2-68.6-61.8153.900108.5N71 W74 M78 Q140 G141 G143 Q162N71-E145 PolarHBondContact ND2-OE2 2.98Å; W74-E145 PolarHBondContact NE1-OE2 3.46Å; M78-E145 VanDerWaalsContact CE-C 3.47Å; M78-E145 HydrophobicContact CE-CB 4.12Å; M78-E145 WeakPolarHBondContact CE-O 3.35Å; M78-E145 HydrophobicContact SD-CB 4.04Å; Q140-E145 WeakPolarHBondContact CA-OE1 3.16Å; G141-E145 PolarHBondContact N-OE1 3.12Å; G143-E145 PolarHBondContact O-N 2.7Å; E145-Q162 HydrophobicContact CB-CB 4.29Å; E145-Q162 PolarHBondContact N-O 2.73Å; E145-Q162 PolarHBondContact O-N 2.86Å
146Y98.8Very high96.2Very high9 Ų956.8 Ų56.84%0.03526%0.26CS..EExtended strand (participates in β ladder)trans-151.1159.3-17976.7-82.4000114.3S108 T134 R135 F144 V148 V160 M182 T185S108-Y146 PolarHBondContact OG-OH 2.84Å; T134-Y146 HydrophobicContact CG2-CE1 4.45Å; T134-Y146 PolarHBondContact OG1-OH 3.37Å; R135-Y146 HydrophobicContact CG-CE1 4.34Å; R135-Y146 PolarHBondContact NH2-O 3.36Å; F144-Y146 HydrophobicContact CB-CD1 4.14Å; Y146-V148 HydrophobicContact CD2-CG2 3.85Å; Y146-V148 HydrophobicContact CE2-CG2 3.84Å; Y146-V160 WeakPolarHBondContact CA-O 3.36Å; Y146-V160 WeakPolarHBondContact CB-O 3.41Å; Y146-M182 HydrophobicContact CD1-CE 3.89Å; Y146-M182 HydrophobicContact CD1-SD 4.23Å; Y146-M182 HydrophobicContact CD2-CE 3.69Å; Y146-M182 HydrophobicContact CE1-CE 4.42Å; Y146-M182 HydrophobicContact CE2-CE 4.22Å; Y146-M182 HydrophobicContact CG-CE 3.49Å; Y146-M182 VanDerWaalsContact CG-CE 3.49Å; Y146-M182 HydrophobicContact CG-SD 4.41Å; Y146-T185 HydrophobicContact CE2-CG2 4.06Å
147V98.8Very high96.4Very high0 Ų053.3 Ų53.30%024%0.242CC..EExtended strand (participates in β ladder)trans-135.9147.1169.955.50000109.1W74 Y82 R105 F149 C159 V160W74-V147 HydrophobicContact CH2-CB 4.22Å; W74-V147 HydrophobicContact CH2-CG1 4.31Å; Y82-V147 HydrophobicContact CD2-CB 4.32Å; Y82-V147 HydrophobicContact CD2-CG1 4.1Å; Y82-V147 HydrophobicContact CD2-CG2 4.04Å; Y82-V147 HydrophobicContact CE2-CG2 4.25Å; R105-V147 HydrophobicContact CG-CG2 3.66Å; V147-F149 HydrophobicContact CB-CE2 4.25Å; V147-F149 HydrophobicContact CG1-CD2 4.49Å; V147-F149 HydrophobicContact CG1-CE2 3.65Å; V147-F149 HydrophobicContact CG1-CZ 4.27Å; V147-F149 HydrophobicContact CG2-CD2 4.2Å; V147-F149 HydrophobicContact CG2-CE1 4.37Å; V147-F149 HydrophobicContact CG2-CE2 3.57Å; V147-F149 HydrophobicContact CG2-CZ 3.66Å; V147-C159 WeakPolarHBondContact O-CA 3.39Å; V147-C159 PolarHBondContact O-SG 2.91Å; V147-V160 HydrophobicContact CG1-CB 3.78Å; V147-V160 HydrophobicContact CG1-CG2 4.09Å; V147-V160 PolarHBondContact N-O 2.94Å; V147-V160 PolarHBondContact O-N 2.78Å
148V98.6Very high96.5Very high7 Ų750.9 Ų50.94%0.04223%0.23CC..EExtended strand (participates in β ladder)trans-121.1136.3177.7-173.40000109.7R105 L106 Y146 C157 V158 C159 T189R105-V148 WeakPolarHBondContact CA-O 3.39Å; L106-V148 HydrophobicContact CB-CB 4.41Å; L106-V148 HydrophobicContact CD1-CG1 4.11Å; L106-V148 PolarHBondContact N-O 3.09Å; Y146-V148 HydrophobicContact CD2-CG2 3.85Å; Y146-V148 HydrophobicContact CE2-CG2 3.84Å; V148-C157 WeakPolarHBondContact CG1-SG 3.45Å; V148-V158 CarbonylContact C-O 3.51Å; V148-V158 WeakPolarHBondContact CA-O 3.36Å; V148-C159 HydrophobicContact CG2-CB 4.12Å; V148-T189 HydrophobicContact CG1-CG2 4.22Å
149F98.3Very high96.8Very high0 Ų039.9 Ų39.90%019%0.188CC..EExtended strand (participates in β ladder)trans-123.4141.2173.6-57.9-91.1000109.1Y82 Y85 N86 W103 R104 R105 V147 C157 V158 V160Y82-F149 HydrophobicContact CD2-CZ 4.06Å; Y82-F149 HydrophobicContact CE2-CZ 4.49Å; Y85-F149 HydrophobicContact CD2-CD2 4.19Å; Y85-F149 HydrophobicContact CD2-CE2 4.26Å; Y85-F149 HydrophobicContact CG-CD2 4.01Å; Y85-F149 HydrophobicContact CG-CE2 4.24Å; Y85-F149 HydrophobicContact CG-CG 4.27Å; N86-F149 HydrophobicContact CB-CE1 4.11Å; N86-F149 HydrophobicContact CB-CZ 4.39Å; W103-F149 HydrophobicContact CE3-CB 3.8Å; W103-F149 HydrophobicContact CZ3-CB 4.44Å; R104-F149 WeakPolarHBondContact O-CA 3.39Å; R105-F149 HydrophobicContact CB-CD1 3.71Å; R105-F149 HydrophobicContact CB-CE1 3.64Å; R105-F149 HydrophobicContact CG-CD1 4.05Å; R105-F149 HydrophobicContact CG-CE1 3.73Å; R105-F149 HydrophobicContact CG-CZ 4.25Å; V147-F149 HydrophobicContact CB-CE2 4.25Å; V147-F149 HydrophobicContact CG1-CD2 4.49Å; V147-F149 HydrophobicContact CG1-CE2 3.65Å; V147-F149 HydrophobicContact CG1-CZ 4.27Å; V147-F149 HydrophobicContact CG2-CD2 4.2Å; V147-F149 HydrophobicContact CG2-CE1 4.37Å; V147-F149 HydrophobicContact CG2-CE2 3.57Å; V147-F149 HydrophobicContact CG2-CZ 3.66Å; F149-C157 WeakPolarHBondContact O-CA 3.23Å; F149-V158 PolarHBondContact N-O 2.98Å; F149-V158 PolarHBondContact O-N 3.42Å; F149-V160 HydrophobicContact CE2-CG2 4.42Å
150V97.5Very high96.9Very high1 Ų134.1 Ų34.11%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-123.9137176.7-70.40000111.5W103 R104 L106 C157 Y193W103-V150 CarbonylContact C-O 3.53Å; W103-V150 WeakPolarHBondContact CA-O 3.41Å; R104-V150 PolarHBondContact N-O 2.93Å; R104-V150 PolarHBondContact O-N 2.95Å; L106-V150 HydrophobicContact CD1-CG1 3.75Å; L106-V150 HydrophobicContact CD1-CG2 4.19Å; L106-V150 HydrophobicContact CD2-CG2 3.89Å; L106-V150 HydrophobicContact CG-CG1 4.37Å; L106-V150 HydrophobicContact CG-CG2 4.06Å; V150-C157 HydrophobicContact CG1-CB 4.06Å; V150-Y193 HydrophobicContact CB-CD1 4.35Å; V150-Y193 HydrophobicContact CB-CE1 4.31Å; V150-Y193 HydrophobicContact CG1-CG 4.37Å; V150-Y193 HydrophobicContact CG2-CD1 4.48Å; V150-Y193 HydrophobicContact CG2-CD2 3.99Å; V150-Y193 HydrophobicContact CG2-CE1 4.24Å; V150-Y193 HydrophobicContact CG2-CE2 3.72Å; V150-Y193 HydrophobicContact CG2-CG 4.37Å
151N95.8Very high97.1Very high1 Ų130.4 Ų30.41%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-109.1115.1171.6179-28.7000108.5V102 W103 Q153 E154 Q155 K156V102-N151 WeakPolarHBondContact O-CA 3.4Å; W103-N151 HydrophobicContact CD2-CB 3.92Å; W103-N151 HydrophobicContact CE3-CB 3.69Å; W103-N151 HydrophobicContact CH2-CB 3.83Å; W103-N151 HydrophobicContact CZ2-CB 4.06Å; W103-N151 HydrophobicContact CZ3-CB 3.65Å; N151-Q153 PolarHBondContact OD1-N 2.63Å; N151-E154 VanDerWaalsContact ND2-CD 3.34Å; N151-E154 PolarHBondContact ND2-OE1 2.95Å; N151-E154 PolarHBondContact OD1-N 3.11Å; N151-Q155 WeakPolarHBondContact O-CA 3.33Å; N151-Q155 PolarHBondContact O-N 3.4Å; N151-K156 PolarHBondContact N-O 3.19Å; N151-K156 PolarHBondContact O-N 2.83Å
152K90Very high97.1Very high155 Ų15530.5 Ų30.567%0.67414%0.14SC*.THydrogen-bonded Turntrans-72.6-32.4-176.2-165.4-173.4173.5-167.80112.6Y193K152-Y193 HydrophobicContact CB-CE1 4.29Å; K152-Y193 WeakPolarHBondContact CB-OH 3.34Å; K152-Y193 HydrophobicContact CG-CE1 4.21Å
153Q91Very high97.1Very high158 Ų15830.5 Ų30.574%0.73814%0.14SC*.THydrogen-bonded Turntrans-76.1-47.9-173.9-56.2-175.315.200110.4N151 Q155N151-Q153 PolarHBondContact OD1-N 2.63Å; Q153-Q155 VanDerWaalsContact C-N 3.29Å; Q153-Q155 PolarHBondContact O-N 2.88Å
154E94Very high97.1Very high101 Ų10130.5 Ų30.547%0.47214%0.14SC..THydrogen-bonded Turntrans-81.3-7178.5-65.5178.1-125.400113.8N151 K156N151-E154 VanDerWaalsContact ND2-CD 3.34Å; N151-E154 PolarHBondContact ND2-OE1 2.95Å; N151-E154 PolarHBondContact OD1-N 3.11Å; E154-K156 VanDerWaalsContact C-N 3.3Å; E154-K156 HydrophobicContact CB-CB 4.47Å; E154-K156 HydrophobicContact CB-CD 3.98Å; E154-K156 HydrophobicContact CB-CG 4.03Å; E154-K156 PolarHBondContact O-N 2.83Å; E154-K156 WeakPolarHBondContact OE2-CD 3.47Å; E154-K156 VanDerWaalsContact OE2-CE 3.29Å; E154-K156 WeakPolarHBondContact OE2-CE 3.4Å; E154-K156 IonicContact OE2-NZ 2.68Å; E154-K156 PolarHBondContact OE2-NZ 3.08Å
155Q95.3Very high97.1Very high84 Ų8434.4 Ų34.439%0.39316%0.158SC..THydrogen-bonded Turntrans51.547.9-172.8-55.1-166.7-54.600112.5N151 Q153 H190 L194 L223N151-Q155 WeakPolarHBondContact O-CA 3.33Å; N151-Q155 PolarHBondContact O-N 3.4Å; Q153-Q155 VanDerWaalsContact C-N 3.29Å; Q153-Q155 PolarHBondContact O-N 2.88Å; Q155-H190 WeakPolarHBondContact CA-CE1 3.49Å; Q155-H190 PolarHBondContact O-CE1 3.36Å; Q155-H190 PolarHBondContact O-NE2 3.07Å; Q155-L194 HydrophobicContact CB-CD2 4.15Å; Q155-L194 HydrophobicContact CG-CD2 4.19Å; Q155-L223 HydrophobicContact CB-CB 4.23Å; Q155-L223 PolarHBondContact O-N 2.97Å; Q155-L223 VanDerWaalsContact OE1-CD2 3.29Å
156K96.6Very high97.1Very high71 Ų7138.7 Ų38.731%0.30918%0.181SC..EExtended strand (participates in β ladder)trans-116.2151177.8-68.5176.6-172.3166.80112.2W103 N151 E154 H190 C221W103-K156 HydrophobicContact CH2-CB 4.13Å; N151-K156 PolarHBondContact N-O 3.19Å; N151-K156 PolarHBondContact O-N 2.83Å; E154-K156 VanDerWaalsContact C-N 3.3Å; E154-K156 HydrophobicContact CB-CB 4.47Å; E154-K156 HydrophobicContact CB-CD 3.98Å; E154-K156 HydrophobicContact CB-CG 4.03Å; E154-K156 PolarHBondContact O-N 2.83Å; E154-K156 WeakPolarHBondContact OE2-CD 3.47Å; E154-K156 VanDerWaalsContact OE2-CE 3.29Å; E154-K156 WeakPolarHBondContact OE2-CE 3.4Å; E154-K156 IonicContact OE2-NZ 2.68Å; E154-K156 PolarHBondContact OE2-NZ 3.08Å; K156-H190 WeakPolarHBondContact CA-CE1 3.37Å; K156-H190 PolarHBondContact N-CE1 3.45Å; K156-H190 PolarHBondContact O-CE1 3.32Å; K156-C221 CarbonylContact C-O 3.54Å; K156-C221 WeakPolarHBondContact CA-O 3.4Å
157C97.7Very high97.1Very high0 Ų038.8 Ų38.80%018%0.182CC..EExtended strand (participates in β ladder)trans-128.4129.6170.9178.80000107.9V148 F149 V150 H190 C221V148-C157 WeakPolarHBondContact CG1-SG 3.45Å; F149-C157 WeakPolarHBondContact O-CA 3.23Å; V150-C157 HydrophobicContact CG1-CB 4.06Å; C157-H190 HydrophobicContact CB-CB 3.61Å; C157-H190 VanDerWaalsContact CB-CG 3.49Å; C157-H190 WeakPolarHBondContact CB-ND1 3.46Å; C157-C221 HydrophobicContact CB-CB 4.22Å; C157-C221 PolarHBondContact N-O 3.16Å; C157-C221 PolarHBondContact O-N 3.36Å
158V98.4Very high97.1Very high3 Ų343.6 Ų43.62%0.01821%0.205CC..EExtended strand (participates in β ladder)trans-121137.8177171.70000108.8Y85 W103 V148 F149 L218 L219 T220Y85-V158 HydrophobicContact CD2-CG1 4.39Å; Y85-V158 HydrophobicContact CE1-CG1 4.32Å; Y85-V158 HydrophobicContact CE2-CG1 3.74Å; W103-V158 HydrophobicContact CH2-CB 4.2Å; W103-V158 HydrophobicContact CH2-CG2 3.52Å; W103-V158 HydrophobicContact CZ2-CG2 4.39Å; W103-V158 HydrophobicContact CZ3-CB 4.07Å; W103-V158 HydrophobicContact CZ3-CG2 3.87Å; V148-V158 CarbonylContact C-O 3.51Å; V148-V158 WeakPolarHBondContact CA-O 3.36Å; F149-V158 PolarHBondContact N-O 2.98Å; F149-V158 PolarHBondContact O-N 3.42Å; V158-L218 HydrophobicContact CG1-CD1 3.5Å; V158-L218 HydrophobicContact CG1-CG 4.21Å; V158-L219 CarbonylContact C-O 3.57Å; V158-L219 WeakPolarHBondContact CA-O 3.37Å; V158-T220 HydrophobicContact CG2-CG2 4.34Å
159C98.8Very high97.1Very high0 Ų045 Ų450%022%0.22CC..EExtended strand (participates in β ladder)trans-128129.2172.9175.90000110.5V147 V148 V186 L219V147-C159 WeakPolarHBondContact O-CA 3.39Å; V147-C159 PolarHBondContact O-SG 2.91Å; V148-C159 HydrophobicContact CG2-CB 4.12Å; C159-V186 HydrophobicContact CB-CB 4.39Å; C159-V186 HydrophobicContact CB-CG1 4.12Å; C159-V186 HydrophobicContact CB-CG2 3.31Å; C159-L219 HydrophobicContact CB-CB 4.18Å; C159-L219 PolarHBondContact N-O 3.27Å; C159-L219 PolarHBondContact O-N 2.86Å
160V98.8Very high97Very high0 Ų048.5 Ų48.50%024%0.244CC..EExtended strand (participates in β ladder)trans-91.9123.7168-170.40000106.5M78 L81 Y85 Y146 V147 F149 T216 L218M78-V160 HydrophobicContact CB-CG1 4.49Å; M78-V160 HydrophobicContact CG-CG1 3.91Å; L81-V160 HydrophobicContact CB-CB 4.43Å; L81-V160 HydrophobicContact CB-CG1 3.81Å; L81-V160 HydrophobicContact CB-CG2 3.69Å; L81-V160 HydrophobicContact CD1-CG1 3.88Å; L81-V160 HydrophobicContact CD1-CG2 4.48Å; Y85-V160 HydrophobicContact CD2-CG2 4.3Å; Y146-V160 WeakPolarHBondContact CA-O 3.36Å; Y146-V160 WeakPolarHBondContact CB-O 3.41Å; V147-V160 HydrophobicContact CG1-CB 3.78Å; V147-V160 HydrophobicContact CG1-CG2 4.09Å; V147-V160 PolarHBondContact N-O 2.94Å; V147-V160 PolarHBondContact O-N 2.78Å; F149-V160 HydrophobicContact CE2-CG2 4.42Å; V160-T216 HydrophobicContact CG1-CG2 3.67Å; V160-L218 HydrophobicContact CG2-CD1 4.18Å
161F98.9Very high97.1Very high3 Ų354 Ų541%0.01328%0.279CS..EExtended strand (participates in β ladder)trans-130.4127.5-175.8165.9-130000110.2F144 A163 L167 M182 T216 V217 L219F144-F161 HydrophobicContact CB-CE2 4.25Å; F144-F161 AromaticContact CD1-CE2 3.9Å; F144-F161 HydrophobicContact CD1-CE2 3.9Å; F144-F161 HydrophobicContact CD1-CZ 4.13Å; F161-A163 HydrophobicContact CE1-CB 4.08Å; F161-A163 HydrophobicContact CE2-CB 4.22Å; F161-A163 HydrophobicContact CZ-CB 3.63Å; F161-L167 HydrophobicContact CE2-CD1 4.06Å; F161-L167 HydrophobicContact CZ-CD1 3.89Å; F161-M182 HydrophobicContact CB-CE 4.33Å; F161-M182 HydrophobicContact CD1-CB 4.29Å; F161-M182 HydrophobicContact CD1-CG 3.89Å; F161-M182 HydrophobicContact CD2-CE 4.17Å; F161-M182 HydrophobicContact CD2-CG 3.93Å; F161-M182 HydrophobicContact CD2-SD 4.2Å; F161-M182 HydrophobicContact CE1-CB 4.37Å; F161-M182 HydrophobicContact CE1-CG 3.76Å; F161-M182 HydrophobicContact CE2-CG 3.82Å; F161-M182 HydrophobicContact CE2-SD 4.29Å; F161-M182 HydrophobicContact CG-CE 4.24Å; F161-M182 HydrophobicContact CG-CG 3.98Å; F161-M182 HydrophobicContact CZ-CG 3.73Å; F161-T216 CarbonylContact O-C 3.58Å; F161-T216 WeakPolarHBondContact O-CA 3.45Å; F161-V217 HydrophobicContact CB-CG2 4.27Å; F161-V217 HydrophobicContact CD1-CG2 3.6Å; F161-V217 HydrophobicContact CE1-CG2 4.39Å; F161-V217 HydrophobicContact CG-CG2 4.32Å; F161-V217 PolarHBondContact N-O 3.16Å; F161-V217 PolarHBondContact O-N 2.93Å; F161-L219 HydrophobicContact CB-CD1 3.68Å; F161-L219 HydrophobicContact CD1-CD1 4.08Å; F161-L219 HydrophobicContact CG-CD1 4.33Å
162Q98.9Very high97.2Very high16 Ų1655.7 Ų55.78%0.07530%0.297CS..EExtended strand (participates in β ladder)trans-111.9125.8168.9-176-175.6-68.400109S73 M78 E145 G164 S215S73-Q162 PolarHBondContact O-NE2 2.79Å; M78-Q162 HydrophobicContact CG-CB 4.49Å; M78-Q162 HydrophobicContact SD-CB 3.53Å; M78-Q162 VanDerWaalsContact SD-CB 3.53Å; E145-Q162 HydrophobicContact CB-CB 4.29Å; E145-Q162 PolarHBondContact N-O 2.73Å; E145-Q162 PolarHBondContact O-N 2.86Å; Q162-G164 PolarHBondContact O-N 3.48Å; Q162-S215 WeakPolarHBondContact CA-O 3.34Å
163A98.4Very high97.6Very high1 Ų151.1 Ų51.11%0.00828%0.278CS..EExtended strand (participates in β ladder)trans-89.1106.7-174.600000111.6F161 L167 V174 G214 S215F161-A163 HydrophobicContact CE1-CB 4.08Å; F161-A163 HydrophobicContact CE2-CB 4.22Å; F161-A163 HydrophobicContact CZ-CB 3.63Å; A163-L167 HydrophobicContact CB-CD1 4.31Å; A163-V174 HydrophobicContact CB-CB 4.31Å; A163-V174 HydrophobicContact CB-CG1 3.95Å; A163-V174 HydrophobicContact CB-CG2 3.32Å; A163-G214 WeakPolarHBondContact O-CA 3.5Å; A163-G214 PolarHBondContact O-N 2.93Å; A163-S215 PolarHBondContact N-O 2.89Å
164G98.4Very high98Very high3 Ų344 Ų443%0.03125%0.245CC..  trans-66.9164.3177.500000114.5G141 A142 G143 Q162 L166 L167 L213G141-G164 WeakPolarHBondContact O-CA 3.27Å; A142-G164 CarbonylContact O-C 3.58Å; A142-G164 VanDerWaalsContact O-C 3.24Å; G143-G164 WeakPolarHBondContact O-CA 3.33Å; G143-G164 PolarHBondContact O-N 3.46Å; Q162-G164 PolarHBondContact O-N 3.48Å; G164-L166 VanDerWaalsContact C-N 3.28Å; G164-L166 PolarHBondContact O-N 3.12Å; G164-L167 WeakPolarHBondContact O-CB 3.44Å; G164-L167 PolarHBondContact O-N 2.81Å; G164-L213 WeakPolarHBondContact O-CD1 3.38Å
165H98Very high98.2Very high95 Ų9544 Ų4444%0.4425%0.245SC..G310 helixtrans-64.4-25.3-168.867.8-100.5000114.7E139 A142 L167 L213E139-H165 IonicContact OE1-CE1 2.66Å; E139-H165 PolarHBondContact OE1-CE1 2.56Å; A142-H165 PolarHBondContact O-N 3.36Å; H165-L167 PolarHBondContact O-N 3.11Å; H165-L213 HydrophobicContact CB-CD2 4.48Å
166L98.6Very high98.4Very high104 Ų10441.1 Ų41.155%0.54524%0.238SC..G310 helixtrans-77.54.5174.9-54.7175.6000113.3I137 A142 G164I137-L166 HydrophobicContact CD1-CB 4.37Å; I137-L166 HydrophobicContact CD1-CD1 4.23Å; I137-L166 HydrophobicContact CG2-CD1 4.3Å; A142-L166 HydrophobicContact CB-CD1 3.8Å; A142-L166 HydrophobicContact CB-CG 4.09Å; A142-L166 VanDerWaalsContact O-CB 3.23Å; A142-L166 WeakPolarHBondContact O-CB 3.45Å; A142-L166 PolarHBondContact O-N 3.32Å; G164-L166 VanDerWaalsContact C-N 3.28Å; G164-L166 PolarHBondContact O-N 3.12Å
167L98.7Very high98.5Very high12 Ų1239.2 Ų39.26%0.06324%0.239CC..G310 helixtrans-102.313.9175.3-52.2-175.2000112.9F144 F161 A163 G164 H165 V174 H175 A178F144-L167 HydrophobicContact CD1-CD1 3.55Å; F144-L167 HydrophobicContact CD1-CD2 4.3Å; F144-L167 HydrophobicContact CD2-CD1 4.42Å; F144-L167 HydrophobicContact CD2-CD2 4.1Å; F144-L167 HydrophobicContact CE1-CD1 3.79Å; F144-L167 HydrophobicContact CE1-CD2 3.93Å; F144-L167 HydrophobicContact CE2-CD2 3.7Å; F144-L167 HydrophobicContact CG-CD1 3.91Å; F144-L167 HydrophobicContact CG-CD2 4.4Å; F144-L167 HydrophobicContact CZ-CD1 4.32Å; F144-L167 HydrophobicContact CZ-CD2 3.61Å; F161-L167 HydrophobicContact CE2-CD1 4.06Å; F161-L167 HydrophobicContact CZ-CD1 3.89Å; A163-L167 HydrophobicContact CB-CD1 4.31Å; G164-L167 WeakPolarHBondContact O-CB 3.44Å; G164-L167 PolarHBondContact O-N 2.81Å; H165-L167 PolarHBondContact O-N 3.11Å; L167-V174 HydrophobicContact CB-CG1 4.34Å; L167-V174 WeakPolarHBondContact O-CA 3.24Å; L167-H175 PolarHBondContact O-N 3.08Å; L167-A178 HydrophobicContact CB-CB 4.11Å; L167-A178 HydrophobicContact CD1-CB 4.49Å; L167-A178 HydrophobicContact CD2-CB 4.3Å
168E98.6Very high98.5Very high100 Ų10039.6 Ų39.647%0.46724%0.242SC..BIsolated β-bridgetrans-62145.9175.4-168.5168.9-13200112.3P171 G172 H173 L213E168-P171 WeakPolarHBondContact OE1-CA 3.41Å; E168-G172 PolarHBondContact OE1-N 2.82Å; E168-H173 WeakPolarHBondContact CA-O 3.48Å; E168-L213 HydrophobicContact CB-CD1 4.18Å; E168-L213 HydrophobicContact CB-CD2 3.81Å; E168-L213 HydrophobicContact CG-CD2 4.06Å
169G98.3Very high98.6Very high36 Ų3639.9 Ų39.937%0.37124%0.243SC..SBendtrans-128.6-89.7170.600000110.5H173G169-H173 PolarHBondContact N-O 3.03Å
170P97.2Very high98.6Very high75 Ų7540.9 Ų40.949%0.48725%0.251SS..SBendtrans-64146.3160.3-1127.1000109.7G172 H173P170-G172 PolarHBondContact O-N 3.4Å; P170-H173 HydrophobicContact CB-CB 4.3Å; P170-H173 HydrophobicContact CG-CB 4.42Å; P170-H173 PolarHBondContact O-N 2.94Å; P170-H173 VanDerWaalsContact O-O 3.11Å
171P98.2Very high98.6Very high115 Ų11542.2 Ų42.275%0.74726%0.259SS*.THydrogen-bonded Turntrans-50.9130.8179.5-29.636.1000113.3E168 H173E168-P171 WeakPolarHBondContact OE1-CA 3.41Å; P171-H173 PolarHBondContact O-N 3.48Å; P171-H173 PolarHBondContact O-ND1 2.86Å
172G98.3Very high98.6Very high37 Ų3742.1 Ų42.138%0.38126%0.259SS..THydrogen-bonded Turntrans734.9-177.500000115.5E168 P170 L213E168-G172 PolarHBondContact OE1-N 2.82Å; P170-G172 PolarHBondContact O-N 3.4Å; G172-L213 PolarHBondContact O-N 2.67Å
173H98.8Very high98.6Very high60 Ų6041.3 Ų41.328%0.27826%0.255SS..BIsolated β-bridgetrans-134.4148.8-170.7-62.991000113.5E168 G169 P170 P171 I211E168-H173 WeakPolarHBondContact CA-O 3.48Å; G169-H173 PolarHBondContact N-O 3.03Å; P170-H173 HydrophobicContact CB-CB 4.3Å; P170-H173 HydrophobicContact CG-CB 4.42Å; P170-H173 PolarHBondContact O-N 2.94Å; P170-H173 VanDerWaalsContact O-O 3.11Å; P171-H173 PolarHBondContact O-N 3.48Å; P171-H173 PolarHBondContact O-ND1 2.86Å; H173-I211 VanDerWaalsContact CA-O 3.32Å; H173-I211 WeakPolarHBondContact CA-O 3.46Å
174V98.8Very high98.6Very high8 Ų844 Ų445%0.04827%0.27CS..BIsolated β-bridgetrans-70.3132-178.8-171.20000110.7A163 L167 G176 A178 I179 I211 L213A163-V174 HydrophobicContact CB-CB 4.31Å; A163-V174 HydrophobicContact CB-CG1 3.95Å; A163-V174 HydrophobicContact CB-CG2 3.32Å; L167-V174 HydrophobicContact CB-CG1 4.34Å; L167-V174 WeakPolarHBondContact O-CA 3.24Å; V174-G176 PolarHBondContact O-N 3.2Å; V174-A178 HydrophobicContact CG1-CB 4.13Å; V174-I179 HydrophobicContact CB-CD1 4.38Å; V174-I179 HydrophobicContact CB-CG1 4.25Å; V174-I179 HydrophobicContact CG1-CD1 4.49Å; V174-I179 HydrophobicContact CG1-CG1 3.84Å; V174-I211 HydrophobicContact CB-CB 4.28Å; V174-I211 HydrophobicContact CB-CG2 4.45Å; V174-I211 HydrophobicContact CG2-CB 4.03Å; V174-I211 HydrophobicContact CG2-CG2 3.72Å; V174-I211 PolarHBondContact N-O 2.93Å; V174-L213 HydrophobicContact CG2-CD1 4.4Å
175H98.8Very high98.6Very high100 Ų10045 Ų4546%0.46328%0.275SS..  trans-60.7133.8177.9-175.4-113.9000111.8L167 G177 A178 I179L167-H175 PolarHBondContact O-N 3.08Å; H175-G177 PolarHBondContact ND1-N 3.32Å; H175-G177 PolarHBondContact O-N 2.82Å; H175-G177 VanDerWaalsContact O-N 3.15Å; H175-A178 HydrophobicContact CB-CB 4.32Å; H175-A178 WeakPolarHBondContact O-CA 3.3Å; H175-A178 WeakPolarHBondContact O-CB 3.48Å; H175-A178 PolarHBondContact O-N 2.97Å; H175-I179 PolarHBondContact O-N 3.38Å; H175-I179 VanDerWaalsContact O-N 3.13Å
176G98.8Very high98.6Very high24 Ų2440.5 Ų40.525%0.24725%0.254CS..Hα-helixtrans-53.7-38.7-179.800000113.2V174 A178 I179 A180 Y207V174-G176 PolarHBondContact O-N 3.2Å; G176-A178 VanDerWaalsContact C-N 3.33Å; G176-A178 PolarHBondContact O-N 3.26Å; G176-I179 WeakPolarHBondContact O-CB 3.4Å; G176-I179 PolarHBondContact O-N 2.97Å; G176-A180 WeakPolarHBondContact O-CB 3.47Å; G176-A180 PolarHBondContact O-N 2.83Å; G176-Y207 PolarHBondContact O-OH 2.9Å
177G98.8Very high98.6Very high32 Ų3235.6 Ų35.633%0.3323%0.228SC..Hα-helixtrans-65.4-29.3174.500000114.7H175 T181H175-G177 PolarHBondContact ND1-N 3.32Å; H175-G177 PolarHBondContact O-N 2.82Å; H175-G177 VanDerWaalsContact O-N 3.15Å; G177-T181 WeakPolarHBondContact O-CB 3.38Å; G177-T181 PolarHBondContact O-N 2.77Å; G177-T181 PolarHBondContact O-OG1 2.85Å
178A98.8Very high98.5Very high8 Ų835.6 Ų35.67%0.06623%0.232CC..Hα-helixtrans-74.4-38.3174.200000111.2F144 L167 V174 H175 G176 T181 M182F144-A178 HydrophobicContact CE1-CB 3.96Å; F144-A178 HydrophobicContact CZ-CB 4.29Å; L167-A178 HydrophobicContact CB-CB 4.11Å; L167-A178 HydrophobicContact CD1-CB 4.49Å; L167-A178 HydrophobicContact CD2-CB 4.3Å; V174-A178 HydrophobicContact CG1-CB 4.13Å; H175-A178 HydrophobicContact CB-CB 4.32Å; H175-A178 WeakPolarHBondContact O-CA 3.3Å; H175-A178 WeakPolarHBondContact O-CB 3.48Å; H175-A178 PolarHBondContact O-N 2.97Å; G176-A178 VanDerWaalsContact C-N 3.33Å; G176-A178 PolarHBondContact O-N 3.26Å; A178-T181 WeakPolarHBondContact O-CB 3.36Å; A178-T181 PolarHBondContact O-N 3.06Å; A178-M182 PolarHBondContact O-N 2.92Å; A178-M182 VanDerWaalsContact O-N 3.13Å
179I98.9Very high98.4Very high9 Ų933 Ų335%0.04622%0.222CC..Hα-helixtrans-60.6-49.3170.6-56172000109.8V174 H175 G176 T181 M182 I183 Y207 I211 T247V174-I179 HydrophobicContact CB-CD1 4.38Å; V174-I179 HydrophobicContact CB-CG1 4.25Å; V174-I179 HydrophobicContact CG1-CD1 4.49Å; V174-I179 HydrophobicContact CG1-CG1 3.84Å; H175-I179 PolarHBondContact O-N 3.38Å; H175-I179 VanDerWaalsContact O-N 3.13Å; G176-I179 WeakPolarHBondContact O-CB 3.4Å; G176-I179 PolarHBondContact O-N 2.97Å; I179-T181 VanDerWaalsContact C-N 3.31Å; I179-T181 PolarHBondContact O-N 3.06Å; I179-M182 PolarHBondContact O-N 3.26Å; I179-M182 VanDerWaalsContact O-N 3.12Å; I179-I183 HydrophobicContact CG2-CD1 3.96Å; I179-I183 WeakPolarHBondContact O-CG1 3.05Å; I179-I183 PolarHBondContact O-N 2.64Å; I179-Y207 HydrophobicContact CB-CE1 4.17Å; I179-Y207 HydrophobicContact CD1-CD1 4.42Å; I179-Y207 HydrophobicContact CD1-CE1 4.35Å; I179-Y207 HydrophobicContact CG2-CE1 4.2Å; I179-I211 HydrophobicContact CD1-CD1 3.76Å; I179-I211 HydrophobicContact CD1-CG1 4.27Å; I179-I211 HydrophobicContact CG1-CD1 4.04Å; I179-I211 HydrophobicContact CG2-CD1 4.38Å; I179-T247 HydrophobicContact CG2-CG2 4.34Å
180A98.9Very high98.4Very high21 Ų2131.2 Ų31.217%0.17421%0.205CC..Hα-helixtrans-58.4-40.1176.400000113G176 M182 I183 D184 I205G176-A180 WeakPolarHBondContact O-CB 3.47Å; G176-A180 PolarHBondContact O-N 2.83Å; A180-M182 VanDerWaalsContact C-N 3.32Å; A180-M182 PolarHBondContact O-N 2.96Å; A180-I183 PolarHBondContact O-N 2.88Å; A180-D184 PolarHBondContact O-N 3.02Å; A180-I205 HydrophobicContact CB-CD1 3.45Å; A180-I205 VanDerWaalsContact CB-CD1 3.45Å
181T98.9Very high98.4Very high27 Ų2727.7 Ų27.717%0.16618%0.182CC..Hα-helixtrans-60-41.2175.5-61.80000111.8F133 T134 F144 G177 A178 I179 T185F133-T181 HydrophobicContact CD1-CG2 3.53Å; F133-T181 HydrophobicContact CE1-CG2 3.62Å; F133-T181 WeakPolarHBondContact CE1-OG1 3.47Å; T134-T181 HydrophobicContact CG2-CG2 3.66Å; F144-T181 HydrophobicContact CE1-CG2 4.12Å; F144-T181 HydrophobicContact CZ-CG2 4Å; G177-T181 WeakPolarHBondContact O-CB 3.38Å; G177-T181 PolarHBondContact O-N 2.77Å; G177-T181 PolarHBondContact O-OG1 2.85Å; A178-T181 WeakPolarHBondContact O-CB 3.36Å; A178-T181 PolarHBondContact O-N 3.06Å; I179-T181 VanDerWaalsContact C-N 3.31Å; I179-T181 PolarHBondContact O-N 3.06Å; T181-T185 VanDerWaalsContact O-CB 3.3Å; T181-T185 WeakPolarHBondContact O-CB 3.22Å; T181-T185 PolarHBondContact O-N 3.22Å; T181-T185 PolarHBondContact O-OG1 3.34Å
182M98.8Very high98.3Very high1 Ų125.3 Ų25.31%0.00517%0.165CC..Hα-helixtrans-71.8-37.9176.2-72.1-52.7-56.300112.3T134 F144 Y146 F161 A178 I179 A180 T185 V186 L219T134-M182 HydrophobicContact CG2-SD 3.88Å; F144-M182 HydrophobicContact CB-SD 4.13Å; F144-M182 HydrophobicContact CD1-CG 3.74Å; F144-M182 HydrophobicContact CD1-SD 3.58Å; F144-M182 VanDerWaalsContact CD1-SD 3.58Å; F144-M182 HydrophobicContact CE1-CG 4.15Å; F144-M182 HydrophobicContact CE1-SD 4.34Å; F144-M182 HydrophobicContact CG-SD 4.18Å; Y146-M182 HydrophobicContact CD1-CE 3.89Å; Y146-M182 HydrophobicContact CD1-SD 4.23Å; Y146-M182 HydrophobicContact CD2-CE 3.69Å; Y146-M182 HydrophobicContact CE1-CE 4.42Å; Y146-M182 HydrophobicContact CE2-CE 4.22Å; Y146-M182 HydrophobicContact CG-CE 3.49Å; Y146-M182 VanDerWaalsContact CG-CE 3.49Å; Y146-M182 HydrophobicContact CG-SD 4.41Å; F161-M182 HydrophobicContact CB-CE 4.33Å; F161-M182 HydrophobicContact CD1-CB 4.29Å; F161-M182 HydrophobicContact CD1-CG 3.89Å; F161-M182 HydrophobicContact CD2-CE 4.17Å; F161-M182 HydrophobicContact CD2-CG 3.93Å; F161-M182 HydrophobicContact CD2-SD 4.2Å; F161-M182 HydrophobicContact CE1-CB 4.37Å; F161-M182 HydrophobicContact CE1-CG 3.76Å; F161-M182 HydrophobicContact CE2-CG 3.82Å; F161-M182 HydrophobicContact CE2-SD 4.29Å; F161-M182 HydrophobicContact CG-CE 4.24Å; F161-M182 HydrophobicContact CG-CG 3.98Å; F161-M182 HydrophobicContact CZ-CG 3.73Å; A178-M182 PolarHBondContact O-N 2.92Å; A178-M182 VanDerWaalsContact O-N 3.13Å; I179-M182 PolarHBondContact O-N 3.26Å; I179-M182 VanDerWaalsContact O-N 3.12Å; A180-M182 VanDerWaalsContact C-N 3.32Å; A180-M182 PolarHBondContact O-N 2.96Å; M182-T185 PolarHBondContact O-N 2.82Å; M182-V186 WeakPolarHBondContact O-CB 3.44Å; M182-V186 VanDerWaalsContact O-CG2 3.22Å; M182-V186 WeakPolarHBondContact O-CG2 3.17Å; M182-V186 PolarHBondContact O-N 3.14Å; M182-L219 HydrophobicContact CB-CD2 4.03Å
183I98.9Very high98.1Very high0 Ų027 Ų270%016%0.161CC..Hα-helixtrans-62.2-48.6174.2-65.1169000110.6I179 A180 T185 V186 T187 L203 I205 L219 C235 V237 T247 A249I179-I183 HydrophobicContact CG2-CD1 3.96Å; I179-I183 WeakPolarHBondContact O-CG1 3.05Å; I179-I183 PolarHBondContact O-N 2.64Å; A180-I183 PolarHBondContact O-N 2.88Å; I183-T185 VanDerWaalsContact C-N 3.35Å; I183-T185 PolarHBondContact O-N 3.48Å; I183-V186 PolarHBondContact O-N 2.83Å; I183-T187 HydrophobicContact CG2-CG2 4.08Å; I183-T187 WeakPolarHBondContact O-CB 3.4Å; I183-T187 WeakPolarHBondContact O-CG2 3.25Å; I183-T187 PolarHBondContact O-N 3.36Å; I183-T187 PolarHBondContact O-OG1 3.14Å; I183-L203 HydrophobicContact CG2-CD1 3.97Å; I183-I205 HydrophobicContact CD1-CD1 4.3Å; I183-I205 HydrophobicContact CD1-CG2 4.02Å; I183-L219 HydrophobicContact CG1-CD2 3.98Å; I183-C235 HydrophobicContact CG2-CB 4.38Å; I183-V237 HydrophobicContact CD1-CG2 3.85Å; I183-V237 HydrophobicContact CG1-CG2 3.91Å; I183-T247 HydrophobicContact CD1-CG2 3.65Å; I183-A249 HydrophobicContact CD1-CB 4.24Å; I183-A249 HydrophobicContact CG2-CB 3.64Å
184D98.8Very high97.8Very high58 Ų5825.6 Ų25.631%0.3116%0.155SC..Hα-helixtrans-59.3-44.7175.1-177.474000111.4A180 V186 T187 G188 T200 L203A180-D184 PolarHBondContact O-N 3.02Å; D184-V186 VanDerWaalsContact C-N 3.34Å; D184-V186 PolarHBondContact O-N 3.03Å; D184-T187 PolarHBondContact O-OG1 3.15Å; D184-G188 WeakPolarHBondContact O-CA 3.33Å; D184-G188 PolarHBondContact O-N 3.07Å; D184-T200 WeakPolarHBondContact OD1-CG2 3.37Å; D184-T200 PolarHBondContact OD1-OG1 3.46Å; D184-L203 HydrophobicContact CB-CD2 3.82Å
185T98.4Very high97.6Very high24 Ų2427 Ų2715%0.14717%0.165CC..Hα-helixtrans-57.8-44.5177-63.30000111.9T134 Y146 T181 M182 I183 T189T134-T185 HydrophobicContact CG2-CG2 4.43Å; T134-T185 WeakPolarHBondContact CG2-OG1 3.44Å; Y146-T185 HydrophobicContact CE2-CG2 4.06Å; T181-T185 VanDerWaalsContact O-CB 3.3Å; T181-T185 WeakPolarHBondContact O-CB 3.22Å; T181-T185 PolarHBondContact O-N 3.22Å; T181-T185 PolarHBondContact O-OG1 3.34Å; M182-T185 PolarHBondContact O-N 2.82Å; I183-T185 VanDerWaalsContact C-N 3.35Å; I183-T185 PolarHBondContact O-N 3.48Å; T185-T189 WeakPolarHBondContact O-CB 3.21Å; T185-T189 PolarHBondContact O-N 2.82Å; T185-T189 PolarHBondContact O-OG1 2.67Å
186V98.3Very high97.2Very high0 Ų023.6 Ų23.60%016%0.157CC..Hα-helixtrans-78-46.2-176.2174.50000111.8C159 M182 I183 D184 T189 H190 L219 C221C159-V186 HydrophobicContact CB-CB 4.39Å; C159-V186 HydrophobicContact CB-CG1 4.12Å; C159-V186 HydrophobicContact CB-CG2 3.31Å; M182-V186 WeakPolarHBondContact O-CB 3.44Å; M182-V186 VanDerWaalsContact O-CG2 3.22Å; M182-V186 WeakPolarHBondContact O-CG2 3.17Å; M182-V186 PolarHBondContact O-N 3.14Å; I183-V186 PolarHBondContact O-N 2.83Å; D184-V186 VanDerWaalsContact C-N 3.34Å; D184-V186 PolarHBondContact O-N 3.03Å; V186-T189 PolarHBondContact O-N 2.95Å; V186-H190 WeakPolarHBondContact O-CB 3.49Å; V186-H190 PolarHBondContact O-N 3.03Å; V186-L219 HydrophobicContact CG1-CB 4.46Å; V186-L219 HydrophobicContact CG2-CB 4.46Å; V186-L219 HydrophobicContact CG2-CD2 4.18Å; V186-C221 HydrophobicContact CG1-CB 3.93Å
187T98.6Very high96.9Very high0 Ų025.1 Ų25.10%016%0.163CC..Hα-helixtrans-65.7-41.6177.7550000111.8I183 D184 H190 A191 V233 C235 F253I183-T187 HydrophobicContact CG2-CG2 4.08Å; I183-T187 WeakPolarHBondContact O-CB 3.4Å; I183-T187 WeakPolarHBondContact O-CG2 3.25Å; I183-T187 PolarHBondContact O-N 3.36Å; I183-T187 PolarHBondContact O-OG1 3.14Å; D184-T187 PolarHBondContact O-OG1 3.15Å; T187-H190 PolarHBondContact O-N 3.21Å; T187-A191 WeakPolarHBondContact O-CB 3.45Å; T187-A191 PolarHBondContact O-N 3.13Å; T187-V233 HydrophobicContact CG2-CG2 3.97Å; T187-C235 HydrophobicContact CG2-CB 3.65Å; T187-F253 WeakPolarHBondContact OG1-CZ 3Å
188G97.6Very high96.7Very high13 Ų1324.4 Ų24.413%0.13415%0.152CC..Hα-helixtrans-68-36.5174.200000113.2D184 T192 F253D184-G188 WeakPolarHBondContact O-CA 3.33Å; D184-G188 PolarHBondContact O-N 3.07Å; G188-T192 VanDerWaalsContact O-CB 3.23Å; G188-T192 WeakPolarHBondContact O-CB 3.32Å; G188-T192 PolarHBondContact O-N 3.49Å; G188-T192 PolarHBondContact O-OG1 3.48Å; G188-F253 VanDerWaalsContact N-CZ 3.34Å
189T96.5Very high96.6Very high44 Ų4429.4 Ų29.427%0.2718%0.175SC..Hα-helixtrans-63.1-43170.7-64.50000111L106 V148 T185 V186 T192 Y193L106-T189 HydrophobicContact CD1-CG2 3.45Å; L106-T189 VanDerWaalsContact CD1-CG2 3.45Å; V148-T189 HydrophobicContact CG1-CG2 4.22Å; T185-T189 WeakPolarHBondContact O-CB 3.21Å; T185-T189 PolarHBondContact O-N 2.82Å; T185-T189 PolarHBondContact O-OG1 2.67Å; V186-T189 PolarHBondContact O-N 2.95Å; T189-T192 PolarHBondContact O-N 3.12Å; T189-Y193 WeakPolarHBondContact O-CB 3.39Å; T189-Y193 PolarHBondContact O-N 3.44Å
190H97.6Very high96.5Very high0 Ų031.7 Ų31.70%019%0.19CC..Hα-helixtrans-64.5-51177.9-166.535.1000112.2Q155 K156 C157 V186 T187 T192 Y193 L194 C221 S222 L223Q155-H190 WeakPolarHBondContact CA-CE1 3.49Å; Q155-H190 PolarHBondContact O-CE1 3.36Å; Q155-H190 PolarHBondContact O-NE2 3.07Å; K156-H190 WeakPolarHBondContact CA-CE1 3.37Å; K156-H190 PolarHBondContact N-CE1 3.45Å; K156-H190 PolarHBondContact O-CE1 3.32Å; C157-H190 HydrophobicContact CB-CB 3.61Å; C157-H190 VanDerWaalsContact CB-CG 3.49Å; C157-H190 WeakPolarHBondContact CB-ND1 3.46Å; V186-H190 WeakPolarHBondContact O-CB 3.49Å; V186-H190 PolarHBondContact O-N 3.03Å; T187-H190 PolarHBondContact O-N 3.21Å; H190-T192 VanDerWaalsContact C-N 3.25Å; H190-T192 PolarHBondContact O-N 3.31Å; H190-Y193 WeakPolarHBondContact O-CB 3.27Å; H190-Y193 PolarHBondContact O-N 3.21Å; H190-Y193 VanDerWaalsContact O-N 3.14Å; H190-L194 WeakPolarHBondContact O-CB 3.45Å; H190-L194 WeakPolarHBondContact O-CG 3.32Å; H190-L194 PolarHBondContact O-N 2.99Å; H190-C221 VanDerWaalsContact CD2-SG 3.56Å; H190-S222 WeakPolarHBondContact NE2-CA 3.19Å; H190-L223 PolarHBondContact NE2-N 2.8Å
191A97.3Very high96.5Very high0 Ų033.5 Ų33.50%021%0.205CC..Hα-helixtrans-60-36.4176.100000111.9T187 L194 S195 V198 T231 F253T187-A191 WeakPolarHBondContact O-CB 3.45Å; T187-A191 PolarHBondContact O-N 3.13Å; A191-L194 PolarHBondContact O-N 2.99Å; A191-S195 WeakPolarHBondContact O-CB 3.41Å; A191-S195 PolarHBondContact O-N 2.8Å; A191-V198 HydrophobicContact CB-CG2 3.95Å; A191-T231 HydrophobicContact CB-CG2 4.15Å; A191-F253 HydrophobicContact CB-CB 3.64Å; A191-F253 HydrophobicContact CB-CD1 4.05Å; A191-F253 HydrophobicContact CB-CD2 3.74Å; A191-F253 HydrophobicContact CB-CE2 4.48Å; A191-F253 HydrophobicContact CB-CG 3.51Å
192T95.5Very high96.5Very high66 Ų6636.3 Ų36.341%0.40522%0.219SC..Hα-helixtrans-65.2-45.9173.7-59.60000112G188 T189 H190 L194 G196 V198G188-T192 VanDerWaalsContact O-CB 3.23Å; G188-T192 WeakPolarHBondContact O-CB 3.32Å; G188-T192 PolarHBondContact O-N 3.49Å; G188-T192 PolarHBondContact O-OG1 3.48Å; T189-T192 PolarHBondContact O-N 3.12Å; H190-T192 VanDerWaalsContact C-N 3.25Å; H190-T192 PolarHBondContact O-N 3.31Å; T192-L194 VanDerWaalsContact C-N 3.28Å; T192-L194 PolarHBondContact O-N 2.77Å; T192-G196 VanDerWaalsContact CA-O 3.31Å; T192-G196 WeakPolarHBondContact CA-O 3.39Å; T192-G196 WeakPolarHBondContact O-CA 3.33Å; T192-G196 PolarHBondContact O-N 3.4Å; T192-V198 WeakPolarHBondContact OG1-CG2 3.46Å
193Y93.9Very high96.5Very high73 Ų7338.6 Ų38.629%0.28623%0.231SC..Hα-helixtrans-61.7-36.8177.5-177.4-97.9000112.1V150 K152 T189 H190V150-Y193 HydrophobicContact CB-CD1 4.35Å; V150-Y193 HydrophobicContact CB-CE1 4.31Å; V150-Y193 HydrophobicContact CG1-CG 4.37Å; V150-Y193 HydrophobicContact CG2-CD1 4.48Å; V150-Y193 HydrophobicContact CG2-CD2 3.99Å; V150-Y193 HydrophobicContact CG2-CE1 4.24Å; V150-Y193 HydrophobicContact CG2-CE2 3.72Å; V150-Y193 HydrophobicContact CG2-CG 4.37Å; K152-Y193 HydrophobicContact CB-CE1 4.29Å; K152-Y193 WeakPolarHBondContact CB-OH 3.34Å; K152-Y193 HydrophobicContact CG-CE1 4.21Å; T189-Y193 WeakPolarHBondContact O-CB 3.39Å; T189-Y193 PolarHBondContact O-N 3.44Å; H190-Y193 WeakPolarHBondContact O-CB 3.27Å; H190-Y193 PolarHBondContact O-N 3.21Å; H190-Y193 VanDerWaalsContact O-N 3.14Å
194L93.6Very high96.5Very high30 Ų3042.7 Ų42.716%0.15725%0.253CS..Hα-helixtrans-82.4-32.6-178.5-70.2176.2000114.5Q155 H190 A191 T192 L223 K226Q155-L194 HydrophobicContact CB-CD2 4.15Å; Q155-L194 HydrophobicContact CG-CD2 4.19Å; H190-L194 WeakPolarHBondContact O-CB 3.45Å; H190-L194 WeakPolarHBondContact O-CG 3.32Å; H190-L194 PolarHBondContact O-N 2.99Å; A191-L194 PolarHBondContact O-N 2.99Å; T192-L194 VanDerWaalsContact C-N 3.28Å; T192-L194 PolarHBondContact O-N 2.77Å; L194-L223 HydrophobicContact CD1-CB 3.83Å; L194-L223 HydrophobicContact CD1-CD1 3.95Å; L194-L223 HydrophobicContact CD1-CD2 4.25Å; L194-L223 HydrophobicContact CD1-CG 4.22Å; L194-K226 VanDerWaalsContact C-NZ 3.34Å; L194-K226 PolarHBondContact O-NZ 3.26Å
195S93.3Very high96.5Very high36 Ų3641.4 Ų41.425%0.25225%0.245SC..Hα-helixtrans-130.15.5-165.3-63.80000114.8A191 K226 T231A191-S195 WeakPolarHBondContact O-CB 3.41Å; A191-S195 PolarHBondContact O-N 2.8Å; S195-K226 WeakPolarHBondContact OG-CE 3.26Å; S195-K226 PolarHBondContact OG-NZ 3.3Å; S195-T231 PolarHBondContact OG-OG1 2.87Å
196G91.8Very high96.5Very high30 Ų3043.7 Ų43.731%0.30926%0.257SS..SBendtrans74.5-163.1-170.900000111.6T192 V198T192-G196 VanDerWaalsContact CA-O 3.31Å; T192-G196 WeakPolarHBondContact CA-O 3.39Å; T192-G196 WeakPolarHBondContact O-CA 3.33Å; T192-G196 PolarHBondContact O-N 3.4Å; G196-V198 PolarHBondContact O-N 3.35Å
197P91.7Very high96.6Very high56 Ų5649.1 Ų49.136%0.36428%0.278SS..SBendtrans-54.8125.4-178-26.935.9000113.1S255 I256 M258P197-S255 WeakPolarHBondContact O-CA 3.49Å; P197-I256 HydrophobicContact CB-CD1 4.42Å; P197-I256 HydrophobicContact CB-CG1 3.87Å; P197-I256 WeakPolarHBondContact O-CG1 3.4Å; P197-I256 PolarHBondContact O-N 3.08Å; P197-M258 HydrophobicContact CG-CE 3.85Å
198V94.1Very high96.6Very high17 Ų1756.1 Ų56.110%0.10330%0.304CS..EExtended strand (participates in β ladder)trans-130166.3177.8-68.30000111.5A191 T192 G196 F253 L254A191-V198 HydrophobicContact CB-CG2 3.95Å; T192-V198 WeakPolarHBondContact OG1-CG2 3.46Å; G196-V198 PolarHBondContact O-N 3.35Å; V198-F253 HydrophobicContact CB-CB 4.07Å; V198-F253 HydrophobicContact CB-CD1 4.43Å; V198-F253 HydrophobicContact CG1-CB 4.3Å; V198-F253 HydrophobicContact CG2-CB 4.23Å; V198-F253 HydrophobicContact CG2-CD1 3.94Å; V198-F253 HydrophobicContact CG2-CG 4.42Å; V198-L254 CarbonylContact C-O 3.52Å; V198-L254 WeakPolarHBondContact CA-O 3.36Å
199M96.4Very high96.6Very high112 Ų11256.8 Ų56.855%0.55231%0.307SS*.EExtended strand (participates in β ladder)trans-127146.8163.1-67.3-67.6-176.800110.1A201 F253 L254 I256M199-A201 PolarHBondContact O-N 3.49Å; M199-F253 WeakPolarHBondContact O-CA 3.22Å; M199-L254 PolarHBondContact N-O 2.93Å; M199-L254 PolarHBondContact O-N 2.99Å; M199-I256 HydrophobicContact CE-CD1 3.91Å; M199-I256 HydrophobicContact CG-CD1 4.09Å; M199-I256 HydrophobicContact CG-CG2 4.4Å
200T98.3Very high96.7Very high58 Ų5858.7 Ų58.736%0.35632%0.32SS..EExtended strand (participates in β ladder)trans-64.1128.6170.5-38.60000109.5D184 L203 F253D184-T200 WeakPolarHBondContact OD1-CG2 3.37Å; D184-T200 PolarHBondContact OD1-OG1 3.46Å; T200-L203 HydrophobicContact CG2-CB 4.13Å; T200-F253 HydrophobicContact CG2-CE1 3.94Å; T200-F253 HydrophobicContact CG2-CZ 3.95Å; T200-F253 WeakPolarHBondContact OG1-CE1 3.5Å
201A98.4Very high96.7Very high58 Ų5858.8 Ų58.848%0.47932%0.32SS..EExtended strand (participates in β ladder)trans-118.9-26.4178.300000112.8M199 L252 L254M199-A201 PolarHBondContact O-N 3.49Å; A201-L252 HydrophobicContact CB-CG 4.43Å; A201-L252 PolarHBondContact N-O 3.33Å; A201-L254 HydrophobicContact CB-CD1 3.69Å; A201-L254 HydrophobicContact CB-CG 3.73Å
202N98.8Very high96.8Very high86 Ų8661.8 Ų61.846%0.4634%0.341SS..EExtended strand (participates in β ladder)trans-146.7145.7160.8178.1-102.2000109.3G251 L252N202-G251 WeakPolarHBondContact O-CA 3.14Å; N202-L252 HydrophobicContact CB-CB 4.15Å; N202-L252 PolarHBondContact N-O 2.75Å; N202-L252 PolarHBondContact O-N 2.91Å
203L98.9Very high96.9Very high49 Ų4960.9 Ų60.926%0.25733%0.334SS..EExtended strand (participates in β ladder)trans-138.8118.4168.2-176.863.6000107.5I183 D184 T200 I205I183-L203 HydrophobicContact CG2-CD1 3.97Å; D184-L203 HydrophobicContact CB-CD2 3.82Å; T200-L203 HydrophobicContact CG2-CB 4.13Å; L203-I205 HydrophobicContact CD2-CD1 3.97Å; L203-I205 HydrophobicContact CG-CD1 4.04Å; L203-I205 HydrophobicContact CG-CG1 4.02Å
204N98.9Very high97.1Very high87 Ų8759.5 Ų59.547%0.46534%0.342SS..EExtended strand (participates in β ladder)trans-115.4134.1179.2-172.35.9000108.9A249 T250N204-A249 CarbonylContact O-C 3.58Å; N204-A249 WeakPolarHBondContact O-CA 3.5Å; N204-A249 VanDerWaalsContact O-CB 3.24Å; N204-A249 WeakPolarHBondContact O-CB 3.4Å; N204-T250 PolarHBondContact N-O 3.48Å; N204-T250 PolarHBondContact O-N 3.36Å
205I98.9Very high97.3Very high31 Ų3159.8 Ų59.816%0.15935%0.347CS..EExtended strand (participates in β ladder)trans-139120.4-167.1-52.6-179.9000110.1A180 I183 L203 Y207 T247 A249A180-I205 HydrophobicContact CB-CD1 3.45Å; A180-I205 VanDerWaalsContact CB-CD1 3.45Å; I183-I205 HydrophobicContact CD1-CD1 4.3Å; I183-I205 HydrophobicContact CD1-CG2 4.02Å; L203-I205 HydrophobicContact CD2-CD1 3.97Å; L203-I205 HydrophobicContact CG-CD1 4.04Å; L203-I205 HydrophobicContact CG-CG1 4.02Å; I205-Y207 HydrophobicContact CB-CE2 4.33Å; I205-Y207 HydrophobicContact CG2-CD1 4.37Å; I205-Y207 HydrophobicContact CG2-CD2 4.31Å; I205-Y207 HydrophobicContact CG2-CE1 3.93Å; I205-Y207 HydrophobicContact CG2-CE2 3.86Å; I205-T247 HydrophobicContact CG2-CG2 3.3Å; I205-A249 HydrophobicContact CB-CB 4.48Å; I205-A249 HydrophobicContact CG1-CB 4.05Å
206N98.9Very high97.5Very high71 Ų7158.7 Ų58.738%0.3834%0.338SS..EExtended strand (participates in β ladder)trans-103.6107.4171.5-61.6-55.5000109.6R208 T247 E248N206-R208 PolarHBondContact O-N 3Å; N206-T247 WeakPolarHBondContact O-CA 3.34Å; N206-E248 HydrophobicContact CB-CG 3.8Å; N206-E248 PolarHBondContact N-O 2.84Å; N206-E248 PolarHBondContact O-N 2.96Å
207Y98.8Very high97.9Very high114 Ų11457.3 Ų57.345%0.44732%0.324SS..EExtended strand (participates in β ladder)trans-74.4120.4171.4-56.1-84.9000109.1G176 I179 I205 T247G176-Y207 PolarHBondContact O-OH 2.9Å; I179-Y207 HydrophobicContact CB-CE1 4.17Å; I179-Y207 HydrophobicContact CD1-CD1 4.42Å; I179-Y207 HydrophobicContact CD1-CE1 4.35Å; I179-Y207 HydrophobicContact CG2-CE1 4.2Å; I205-Y207 HydrophobicContact CB-CE2 4.33Å; I205-Y207 HydrophobicContact CG2-CD1 4.37Å; I205-Y207 HydrophobicContact CG2-CD2 4.31Å; I205-Y207 HydrophobicContact CG2-CE1 3.93Å; I205-Y207 HydrophobicContact CG2-CE2 3.86Å; Y207-T247 HydrophobicContact CD1-CG2 4Å; Y207-T247 HydrophobicContact CE1-CG2 4.28Å
208R98.6Very high98.2Very high148 Ų14855.1 Ų55.156%0.55831%0.309SS*.  trans-106.5-37.2-173.5-63.1-54.9-168.6176.22.7113.1N206 L245 H246 E248N206-R208 PolarHBondContact O-N 3Å; R208-L245 HydrophobicContact CB-CG 4.41Å; R208-L245 HydrophobicContact CG-CD2 4.06Å; R208-L245 HydrophobicContact CG-CG 4.36Å; R208-H246 PolarHBondContact N-O 2.74Å; R208-E248 HydrophobicContact CG-CG 4.48Å; R208-E248 IonicContact CZ-OE1 2.67Å; R208-E248 IonicContact NE-OE1 3.67Å; R208-E248 PolarHBondContact NE-OE1 3.11Å; R208-E248 IonicContact NH2-OE1 2.77Å; R208-E248 PolarHBondContact NH2-OE1 3.33Å
209S98.4Very high98.4Very high27 Ų2754.3 Ų54.319%0.18930%0.304CS..SBendtrans-155146.1170.6690000111.5K244 L245 H246S209-K244 WeakPolarHBondContact OG-CE 3.34Å; S209-L245 PolarHBondContact OG-O 2.97Å; S209-H246 PolarHBondContact N-O 3.25Å; S209-H246 WeakPolarHBondContact O-CA 3.48Å; S209-H246 WeakPolarHBondContact O-CB 3.48Å; S209-H246 PolarHBondContact O-ND1 2.95Å; S209-H246 VanDerWaalsContact O-ND1 3.09Å; S209-H246 VanDerWaalsContact O-O 3.09Å; S209-H246 PolarHBondContact OG-ND1 3.48Å
210P98.2Very high98.5Very high83 Ų8351.1 Ų51.154%0.53929%0.291SS..PPolyproline II helixtrans-69.6148.5-171.630.4-37.1000112H246P210-H246 PolarHBondContact O-CE1 3.1Å; P210-H246 PolarHBondContact O-ND1 3.13Å
211I98.7Very high98.6Very high2 Ų248.4 Ų48.41%0.0127%0.274CS..PPolyproline II helixtrans-98.5128.6176.2-59.3172.4000107.9H173 V174 I179 S215 V217 V237 H246H173-I211 VanDerWaalsContact CA-O 3.32Å; H173-I211 WeakPolarHBondContact CA-O 3.46Å; V174-I211 HydrophobicContact CB-CB 4.28Å; V174-I211 HydrophobicContact CB-CG2 4.45Å; V174-I211 HydrophobicContact CG2-CB 4.03Å; V174-I211 HydrophobicContact CG2-CG2 3.72Å; V174-I211 PolarHBondContact N-O 2.93Å; I179-I211 HydrophobicContact CD1-CD1 3.76Å; I179-I211 HydrophobicContact CD1-CG1 4.27Å; I179-I211 HydrophobicContact CG1-CD1 4.04Å; I179-I211 HydrophobicContact CG2-CD1 4.38Å; I211-S215 WeakPolarHBondContact CG2-OG 3.41Å; I211-V217 HydrophobicContact CD1-CG1 4.12Å; I211-V217 HydrophobicContact CD1-CG2 4.36Å; I211-V217 HydrophobicContact CG1-CG1 4.26Å; I211-V217 HydrophobicContact CG2-CG1 3.74Å; I211-V237 HydrophobicContact CD1-CG1 3.88Å; I211-H246 HydrophobicContact CD1-CB 3.99Å; I211-H246 HydrophobicContact CG1-CB 3.63Å; I211-H246 WeakPolarHBondContact CG1-ND1 3.48Å
212S98.4Very high98.5Very high63 Ų6347.4 Ų47.444%0.44126%0.264SS..BIsolated β-bridgetrans-72.1140.2177.3-57.60000111.2S215S212-S215 WeakPolarHBondContact O-CB 3.08Å; S212-S215 PolarHBondContact O-N 2.96Å; S212-S215 PolarHBondContact O-OG 3.44Å
213L97.9Very high98.5Very high47 Ų4745 Ų4525%0.24625%0.251CS..THydrogen-bonded Turntrans-61.1142.8176.7-162.765.1000110.5G164 H165 E168 G172 V174 S215G164-L213 WeakPolarHBondContact O-CD1 3.38Å; H165-L213 HydrophobicContact CB-CD2 4.48Å; E168-L213 HydrophobicContact CB-CD1 4.18Å; E168-L213 HydrophobicContact CB-CD2 3.81Å; E168-L213 HydrophobicContact CG-CD2 4.06Å; G172-L213 PolarHBondContact O-N 2.67Å; V174-L213 HydrophobicContact CG2-CD1 4.4Å; L213-S215 PolarHBondContact O-N 3.11Å
214G97.6Very high98.5Very high44 Ų4446.6 Ų46.645%0.45426%0.259SS..THydrogen-bonded Turntrans75.9-12.6-17500000115.7A163A163-G214 WeakPolarHBondContact O-CA 3.5Å; A163-G214 PolarHBondContact O-N 2.93Å
215S97.9Very high98.4Very high37 Ų3747.2 Ų47.226%0.25926%0.258SS..  trans-72.7158179.171.60000112.9Q162 A163 I211 S212 L213Q162-S215 WeakPolarHBondContact CA-O 3.34Å; A163-S215 PolarHBondContact N-O 2.89Å; I211-S215 WeakPolarHBondContact CG2-OG 3.41Å; S212-S215 WeakPolarHBondContact O-CB 3.08Å; S212-S215 PolarHBondContact O-N 2.96Å; S212-S215 PolarHBondContact O-OG 3.44Å; L213-S215 PolarHBondContact O-N 3.11Å
216T98.8Very high98.3Very high12 Ų1250.1 Ų50.17%0.07427%0.269CS..EExtended strand (participates in β ladder)trans-96.7136.7170.5-57.50000109.8D77 M78 L81 V160 F161 T240D77-T216 HydrophobicContact CB-CG2 4.35Å; M78-T216 HydrophobicContact CB-CG2 4.08Å; L81-T216 HydrophobicContact CD1-CG2 4.2Å; V160-T216 HydrophobicContact CG1-CG2 3.67Å; F161-T216 CarbonylContact O-C 3.58Å; F161-T216 WeakPolarHBondContact O-CA 3.45Å; T216-T240 HydrophobicContact CG2-CG2 3.86Å; T216-T240 WeakPolarHBondContact O-CG2 3.38Å
217V98.9Very high98.3Very high2 Ų250.3 Ų50.31%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-129.9156173.9-70.10000111F161 I211 L219 V237 T238F161-V217 HydrophobicContact CB-CG2 4.27Å; F161-V217 HydrophobicContact CD1-CG2 3.6Å; F161-V217 HydrophobicContact CE1-CG2 4.39Å; F161-V217 HydrophobicContact CG-CG2 4.32Å; F161-V217 PolarHBondContact N-O 3.16Å; F161-V217 PolarHBondContact O-N 2.93Å; I211-V217 HydrophobicContact CD1-CG1 4.12Å; I211-V217 HydrophobicContact CD1-CG2 4.36Å; I211-V217 HydrophobicContact CG1-CG1 4.26Å; I211-V217 HydrophobicContact CG2-CG1 3.74Å; V217-L219 HydrophobicContact CG2-CD1 4.15Å; V217-V237 HydrophobicContact CB-CG1 4.06Å; V217-V237 HydrophobicContact CG2-CG1 4Å; V217-T238 CarbonylContact C-O 3.58Å; V217-T238 WeakPolarHBondContact CA-O 3.5Å; V217-T238 VanDerWaalsContact CB-O 3.26Å; V217-T238 WeakPolarHBondContact CB-O 3.45Å
218L98.8Very high98.2Very high9 Ų948.9 Ų48.95%0.04729%0.288CS..EExtended strand (participates in β ladder)trans-105.7123.4177.3-167.470.1000109.2L81 Y85 V158 V160 V237 T238L81-L218 HydrophobicContact CD1-CD1 4.41Å; Y85-L218 HydrophobicContact CE2-CD1 4.04Å; V158-L218 HydrophobicContact CG1-CD1 3.5Å; V158-L218 HydrophobicContact CG1-CG 4.21Å; V160-L218 HydrophobicContact CG2-CD1 4.18Å; L218-V237 WeakPolarHBondContact O-CA 3.33Å; L218-T238 PolarHBondContact N-O 3.19Å; L218-T238 PolarHBondContact O-N 3.11Å
219L98.8Very high98.1Very high1 Ų148.9 Ų48.91%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-101.9112.9170.8-7084.9000108.3V158 C159 F161 M182 I183 V186 V217 Q236 V237V158-L219 CarbonylContact C-O 3.57Å; V158-L219 WeakPolarHBondContact CA-O 3.37Å; C159-L219 HydrophobicContact CB-CB 4.18Å; C159-L219 PolarHBondContact N-O 3.27Å; C159-L219 PolarHBondContact O-N 2.86Å; F161-L219 HydrophobicContact CB-CD1 3.68Å; F161-L219 HydrophobicContact CD1-CD1 4.08Å; F161-L219 HydrophobicContact CG-CD1 4.33Å; M182-L219 HydrophobicContact CB-CD2 4.03Å; I183-L219 HydrophobicContact CG1-CD2 3.98Å; V186-L219 HydrophobicContact CG1-CB 4.46Å; V186-L219 HydrophobicContact CG2-CB 4.46Å; V186-L219 HydrophobicContact CG2-CD2 4.18Å; V217-L219 HydrophobicContact CG2-CD1 4.15Å; L219-Q236 CarbonylContact C-O 3.53Å; L219-Q236 WeakPolarHBondContact CA-O 3.39Å; L219-V237 HydrophobicContact CD1-CG1 4.25Å; L219-V237 HydrophobicContact CD2-CG2 4.15Å; L219-V237 HydrophobicContact CG-CB 4.46Å; L219-V237 HydrophobicContact CG-CG1 4.11Å; L219-V237 HydrophobicContact CG-CG2 3.98Å
220T98.7Very high98.1Very high45 Ų4551.5 Ų51.528%0.27630%0.296SS..EExtended strand (participates in β ladder)trans-105.1128.2174.6-60.20000109.2V158 C235 Q236V158-T220 HydrophobicContact CG2-CG2 4.34Å; T220-C235 CarbonylContact O-C 3.56Å; T220-C235 VanDerWaalsContact O-CA 3.23Å; T220-C235 WeakPolarHBondContact O-CA 3.41Å; T220-C235 PolarHBondContact O-SG 3.46Å; T220-C235 VanDerWaalsContact O-SG 3.36Å; T220-Q236 PolarHBondContact N-O 2.7Å; T220-Q236 PolarHBondContact O-N 3.39Å
221C98.4Very high98.1Very high0 Ų047.7 Ų47.70%027%0.271CS..EExtended strand (participates in β ladder)trans-130.3137-176.4178.60000111K156 C157 V186 H190 S234 C235K156-C221 CarbonylContact C-O 3.54Å; K156-C221 WeakPolarHBondContact CA-O 3.4Å; C157-C221 HydrophobicContact CB-CB 4.22Å; C157-C221 PolarHBondContact N-O 3.16Å; C157-C221 PolarHBondContact O-N 3.36Å; V186-C221 HydrophobicContact CG1-CB 3.93Å; H190-C221 VanDerWaalsContact CD2-SG 3.56Å; C221-S234 VanDerWaalsContact CA-O 3.26Å; C221-S234 WeakPolarHBondContact CA-O 3.5Å; C221-S234 PolarHBondContact SG-O 3.4Å; C221-S234 VanDerWaalsContact SG-O 3.34Å; C221-C235 HydrophobicContact CB-CB 4.18Å
222S97.9Very high98.1Very high37 Ų3749.6 Ų49.626%0.25928%0.28SS..EExtended strand (participates in β ladder)trans-131157-173.7-62.60000111.1H190 V233 S234H190-S222 WeakPolarHBondContact NE2-CA 3.19Å; S222-V233 VanDerWaalsContact O-CA 3.25Å; S222-V233 WeakPolarHBondContact O-CA 3.22Å; S222-V233 VanDerWaalsContact O-CB 3.25Å; S222-V233 WeakPolarHBondContact O-CB 3.33Å; S222-S234 PolarHBondContact N-O 2.88Å; S222-S234 PolarHBondContact O-N 3.26Å
223L98.3Very high98.1Very high37 Ų3746.6 Ų46.619%0.19426%0.259CS..EExtended strand (participates in β ladder)trans-80.5125.716718067000110.1Q155 H190 L194 K226 T231 F232 V233Q155-L223 HydrophobicContact CB-CB 4.23Å; Q155-L223 PolarHBondContact O-N 2.97Å; Q155-L223 VanDerWaalsContact OE1-CD2 3.29Å; H190-L223 PolarHBondContact NE2-N 2.8Å; L194-L223 HydrophobicContact CD1-CB 3.83Å; L194-L223 HydrophobicContact CD1-CD1 3.95Å; L194-L223 HydrophobicContact CD1-CD2 4.25Å; L194-L223 HydrophobicContact CD1-CG 4.22Å; L223-K226 HydrophobicContact CD1-CG 3.91Å; L223-K226 HydrophobicContact CD2-CG 4.23Å; L223-T231 HydrophobicContact CD1-CG2 3.68Å; L223-F232 WeakPolarHBondContact CD1-O 3.38Å; L223-V233 HydrophobicContact CD1-CG1 4.39Å
224D98.1Very high98.1Very high81 Ų8146.3 Ų46.343%0.43326%0.26SS..EExtended strand (participates in β ladder)trans-88.4-51173.3-51.5-31.9000110.4F232 V233 S234D224-F232 HydrophobicContact CB-CB 4.27Å; D224-F232 PolarHBondContact N-O 2.74Å; D224-V233 WeakPolarHBondContact OD2-CA 3.41Å; D224-S234 WeakPolarHBondContact OD1-CB 3.45Å; D224-S234 PolarHBondContact OD1-N 3.19Å; D224-S234 PolarHBondContact OD1-OG 2.82Å; D224-S234 PolarHBondContact OD2-N 3.23Å
225K97.4Very high98.2Very high101 Ų10144.4 Ų44.444%0.43924%0.24SC..EExtended strand (participates in β ladder)trans-167.2168.1177.458.7173.8177.4170.80112.8E227 F232K225-E227 VanDerWaalsContact CE-OE1 3.31Å; K225-E227 WeakPolarHBondContact CE-OE1 3.48Å; K225-E227 IonicContact NZ-OE1 2.67Å; K225-E227 PolarHBondContact NZ-OE1 3.1Å; K225-F232 HydrophobicContact CD-CD2 4.24Å; K225-F232 HydrophobicContact CD-CE2 4.47Å; K225-F232 HydrophobicContact CG-CB 3.92Å; K225-F232 HydrophobicContact CG-CD2 3.66Å; K225-F232 HydrophobicContact CG-CE2 4.35Å; K225-F232 HydrophobicContact CG-CG 3.97Å; K225-F232 PolarHBondContact N-O 2.99Å; K225-F232 PolarHBondContact O-N 2.86Å
226K97.8Very high98.2Very high91 Ų9147.6 Ų47.640%0.39625%0.251SS..EExtended strand (participates in β ladder)trans-126.5141.4168-59.1-167.5-174.8-167.90111.5L194 S195 L223 K230 T231L194-K226 VanDerWaalsContact C-NZ 3.34Å; L194-K226 PolarHBondContact O-NZ 3.26Å; S195-K226 WeakPolarHBondContact OG-CE 3.26Å; S195-K226 PolarHBondContact OG-NZ 3.3Å; L223-K226 HydrophobicContact CD1-CG 3.91Å; L223-K226 HydrophobicContact CD2-CG 4.23Å; K226-K230 CarbonylContact C-O 3.58Å; K226-K230 VanDerWaalsContact CA-O 3.31Å; K226-K230 WeakPolarHBondContact CA-O 3.46Å; K226-T231 HydrophobicContact CG-CG2 4.33Å
227E97.8Very high98.2Very high76 Ų7647.1 Ų47.136%0.35525%0.248SC..EExtended strand (participates in β ladder)trans-136.192.4177.5-64.1173.8-178.900109.5K225 R229 K230 F232K225-E227 VanDerWaalsContact CE-OE1 3.31Å; K225-E227 WeakPolarHBondContact CE-OE1 3.48Å; K225-E227 IonicContact NZ-OE1 2.67Å; K225-E227 PolarHBondContact NZ-OE1 3.1Å; E227-R229 PolarHBondContact O-N 2.62Å; E227-K230 HydrophobicContact CB-CB 4.17Å; E227-K230 HydrophobicContact CB-CD 4.27Å; E227-K230 PolarHBondContact N-O 2.85Å; E227-K230 WeakPolarHBondContact O-CB 3.33Å; E227-K230 PolarHBondContact O-N 2.74Å; E227-K230 IonicContact OE2-NZ 2.86Å; E227-K230 PolarHBondContact OE2-NZ 3.22Å; E227-F232 HydrophobicContact CB-CE2 4.23Å; E227-F232 HydrophobicContact CG-CE2 3.95Å
228G95.9Very high98.2Very high84 Ų8447.5 Ų47.587%0.86625%0.25SS*.THydrogen-bonded Turntrans59.9-109.5-176.300000111.9
229R96.5Very high98.2Very high147 Ų14748.6 Ų48.656%0.55526%0.256SS*.THydrogen-bonded Turntrans-83.7-10.7175.2-63.8-158.2-64.2127.3-6.2114.5E227 L254 S255E227-R229 PolarHBondContact O-N 2.62Å; R229-L254 WeakPolarHBondContact O-CA 3.49Å; R229-S255 WeakPolarHBondContact CA-OG 3.29Å; R229-S255 WeakPolarHBondContact CB-OG 3.13Å; R229-S255 PolarHBondContact NH1-O 3.11Å; R229-S255 PolarHBondContact O-N 2.86Å; R229-S255 PolarHBondContact O-OG 2.87Å
230K98.3Very high98.1Very high83 Ų8349.8 Ų49.836%0.36126%0.264SS..EExtended strand (participates in β ladder)trans-83.7133.1179.7-54.8-176-156.8159.10111.1K226 E227 F232 L252 F253 L254K226-K230 CarbonylContact C-O 3.58Å; K226-K230 VanDerWaalsContact CA-O 3.31Å; K226-K230 WeakPolarHBondContact CA-O 3.46Å; E227-K230 HydrophobicContact CB-CB 4.17Å; E227-K230 HydrophobicContact CB-CD 4.27Å; E227-K230 PolarHBondContact N-O 2.85Å; E227-K230 WeakPolarHBondContact O-CB 3.33Å; E227-K230 PolarHBondContact O-N 2.74Å; E227-K230 IonicContact OE2-NZ 2.86Å; E227-K230 PolarHBondContact OE2-NZ 3.22Å; K230-F232 HydrophobicContact CB-CD2 4.17Å; K230-F232 HydrophobicContact CB-CE2 3.6Å; K230-F232 HydrophobicContact CB-CZ 4.24Å; K230-F232 HydrophobicContact CD-CE2 3.7Å; K230-F232 HydrophobicContact CD-CZ 3.59Å; K230-F232 HydrophobicContact CG-CE2 4.33Å; K230-L252 HydrophobicContact CB-CD1 3.72Å; K230-L252 HydrophobicContact CD-CD1 4.21Å; K230-L252 HydrophobicContact CG-CD1 4.08Å; K230-F253 CarbonylContact C-O 3.6Å; K230-F253 WeakPolarHBondContact CA-O 3.23Å; K230-L254 HydrophobicContact CB-CD2 4.47Å; K230-L254 HydrophobicContact CG-CD2 3.88Å
231T98.6Very high97.9Very high2 Ų252.7 Ų52.71%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-119.6120.5166.5-52.60000107.7A191 S195 L223 K226 V233 F253A191-T231 HydrophobicContact CB-CG2 4.15Å; S195-T231 PolarHBondContact OG-OG1 2.87Å; L223-T231 HydrophobicContact CD1-CG2 3.68Å; K226-T231 HydrophobicContact CG-CG2 4.33Å; T231-V233 HydrophobicContact CG2-CG1 4.22Å; T231-F253 PolarHBondContact N-O 2.82Å; T231-F253 PolarHBondContact O-N 3.32Å
232F98.8Very high97.8Very high43 Ų4355.8 Ų55.819%0.18930%0.299CS..EExtended strand (participates in β ladder)trans-104.8128.4178.9-62.3-102.2000108.9L223 D224 K225 E227 K230 G251 L252L223-F232 WeakPolarHBondContact CD1-O 3.38Å; D224-F232 HydrophobicContact CB-CB 4.27Å; D224-F232 PolarHBondContact N-O 2.74Å; K225-F232 HydrophobicContact CD-CD2 4.24Å; K225-F232 HydrophobicContact CD-CE2 4.47Å; K225-F232 HydrophobicContact CG-CB 3.92Å; K225-F232 HydrophobicContact CG-CD2 3.66Å; K225-F232 HydrophobicContact CG-CE2 4.35Å; K225-F232 HydrophobicContact CG-CG 3.97Å; K225-F232 PolarHBondContact N-O 2.99Å; K225-F232 PolarHBondContact O-N 2.86Å; E227-F232 HydrophobicContact CB-CE2 4.23Å; E227-F232 HydrophobicContact CG-CE2 3.95Å; K230-F232 HydrophobicContact CB-CD2 4.17Å; K230-F232 HydrophobicContact CB-CE2 3.6Å; K230-F232 HydrophobicContact CB-CZ 4.24Å; K230-F232 HydrophobicContact CD-CE2 3.7Å; K230-F232 HydrophobicContact CD-CZ 3.59Å; K230-F232 HydrophobicContact CG-CE2 4.33Å; F232-G251 WeakPolarHBondContact CA-O 3.33Å; F232-L252 HydrophobicContact CD1-CD1 4.02Å; F232-L252 HydrophobicContact CD2-CD1 4.3Å; F232-L252 HydrophobicContact CE1-CD1 3.87Å; F232-L252 HydrophobicContact CE1-CD2 4.37Å; F232-L252 HydrophobicContact CE2-CD1 4.17Å; F232-L252 HydrophobicContact CG-CD1 4.26Å; F232-L252 HydrophobicContact CZ-CD1 3.96Å
233V98.8Very high97.7Very high0 Ų058.5 Ų58.50%032%0.318CS..EExtended strand (participates in β ladder)trans-134.3139.7-177.8-64.10000111.2T187 S222 L223 D224 T231 T250 G251 F253T187-V233 HydrophobicContact CG2-CG2 3.97Å; S222-V233 VanDerWaalsContact O-CA 3.25Å; S222-V233 WeakPolarHBondContact O-CA 3.22Å; S222-V233 VanDerWaalsContact O-CB 3.25Å; S222-V233 WeakPolarHBondContact O-CB 3.33Å; L223-V233 HydrophobicContact CD1-CG1 4.39Å; D224-V233 WeakPolarHBondContact OD2-CA 3.41Å; T231-V233 HydrophobicContact CG2-CG1 4.22Å; V233-T250 WeakPolarHBondContact O-CA 3.15Å; V233-G251 PolarHBondContact N-O 3.26Å; V233-G251 PolarHBondContact O-N 2.84Å; V233-F253 HydrophobicContact CG2-CD2 3.92Å; V233-F253 HydrophobicContact CG2-CE2 3.75Å
234S98.8Very high97.7Very high40 Ų4061.3 Ų61.328%0.2833%0.328SS..EExtended strand (participates in β ladder)trans-99.2151.8170.251.50000110.2C221 S222 D224 A249C221-S234 VanDerWaalsContact CA-O 3.26Å; C221-S234 WeakPolarHBondContact CA-O 3.5Å; C221-S234 PolarHBondContact SG-O 3.4Å; C221-S234 VanDerWaalsContact SG-O 3.34Å; S222-S234 PolarHBondContact N-O 2.88Å; S222-S234 PolarHBondContact O-N 3.26Å; D224-S234 WeakPolarHBondContact OD1-CB 3.45Å; D224-S234 PolarHBondContact OD1-N 3.19Å; D224-S234 PolarHBondContact OD1-OG 2.82Å; D224-S234 PolarHBondContact OD2-N 3.23Å; S234-A249 WeakPolarHBondContact CA-O 3.45Å
235C98.8Very high97.7Very high4 Ų460.2 Ų60.23%0.02732%0.322CS..EExtended strand (participates in β ladder)trans-143.7139.4174.6-174.20000111.5I183 T187 T220 C221 E248 A249I183-C235 HydrophobicContact CG2-CB 4.38Å; T187-C235 HydrophobicContact CG2-CB 3.65Å; T220-C235 CarbonylContact O-C 3.56Å; T220-C235 VanDerWaalsContact O-CA 3.23Å; T220-C235 WeakPolarHBondContact O-CA 3.41Å; T220-C235 PolarHBondContact O-SG 3.46Å; T220-C235 VanDerWaalsContact O-SG 3.36Å; C221-C235 HydrophobicContact CB-CB 4.18Å; C235-E248 CarbonylContact O-C 3.58Å; C235-E248 WeakPolarHBondContact O-CA 3.44Å; C235-A249 PolarHBondContact N-O 2.99Å; C235-A249 PolarHBondContact O-N 2.89Å
236Q98.8Very high97.8Very high105 Ų10556 Ų5649%0.49130%0.304SS..EExtended strand (participates in β ladder)trans-121.6140.6171.6-64.4-177.516.300109.7L219 T220 L245 E248L219-Q236 CarbonylContact C-O 3.53Å; L219-Q236 WeakPolarHBondContact CA-O 3.39Å; T220-Q236 PolarHBondContact N-O 2.7Å; T220-Q236 PolarHBondContact O-N 3.39Å; Q236-L245 HydrophobicContact CB-CD1 4Å; Q236-L245 HydrophobicContact CG-CD1 4.27Å; Q236-E248 HydrophobicContact CG-CB 4.45Å
237V98.9Very high97.8Very high1 Ų151.7 Ų51.71%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-110.9114.4174.2-167.50000107.7I183 I211 V217 L218 L219 H246 T247I183-V237 HydrophobicContact CD1-CG2 3.85Å; I183-V237 HydrophobicContact CG1-CG2 3.91Å; I211-V237 HydrophobicContact CD1-CG1 3.88Å; V217-V237 HydrophobicContact CB-CG1 4.06Å; V217-V237 HydrophobicContact CG2-CG1 4Å; L218-V237 WeakPolarHBondContact O-CA 3.33Å; L219-V237 HydrophobicContact CD1-CG1 4.25Å; L219-V237 HydrophobicContact CD2-CG2 4.15Å; L219-V237 HydrophobicContact CG-CB 4.46Å; L219-V237 HydrophobicContact CG-CG1 4.11Å; L219-V237 HydrophobicContact CG-CG2 3.98Å; V237-H246 WeakPolarHBondContact O-CB 3.44Å; V237-H246 PolarHBondContact O-N 3.22Å; V237-T247 HydrophobicContact CG2-CG2 4.39Å; V237-T247 PolarHBondContact N-O 2.75Å; V237-T247 PolarHBondContact O-N 3.2Å
238T98.9Very high97.9Very high10 Ų1050.6 Ų50.66%0.06128%0.281CS..EExtended strand (participates in β ladder)trans-123.1165.8-17857.40000111.5V217 L218 S242 K244 L245V217-T238 CarbonylContact C-O 3.58Å; V217-T238 WeakPolarHBondContact CA-O 3.5Å; V217-T238 VanDerWaalsContact CB-O 3.26Å; V217-T238 WeakPolarHBondContact CB-O 3.45Å; L218-T238 PolarHBondContact N-O 3.19Å; L218-T238 PolarHBondContact O-N 3.11Å; T238-S242 PolarHBondContact OG1-OG 2.81Å; T238-K244 VanDerWaalsContact CA-O 3.27Å; T238-K244 WeakPolarHBondContact CA-O 3.29Å; T238-L245 HydrophobicContact CG2-CD1 4.18Å
239N98.2Very high98Very high33 Ų3347 Ų4718%0.17624%0.242CC..EExtended strand (participates in β ladder)trans-68.6171.5163.464-21.8000111.1D241 S242 S243 K244N239-D241 VanDerWaalsContact C-N 3.26Å; N239-D241 VanDerWaalsContact CG-OD1 3.25Å; N239-D241 PolarHBondContact ND2-OD1 2.88Å; N239-D241 PolarHBondContact O-N 3Å; N239-D241 VanDerWaalsContact O-N 3.16Å; N239-D241 PolarHBondContact OD1-OD1 3.29Å; N239-S242 PolarHBondContact O-N 2.91Å; N239-S242 WeakPolarHBondContact OD1-CA 3.35Å; N239-S242 PolarHBondContact OD1-N 3.46Å; N239-S243 PolarHBondContact ND2-OG 3.2Å; N239-S243 PolarHBondContact OD1-N 3.36Å; N239-S243 VanDerWaalsContact OD1-N 3.08Å; N239-K244 HydrophobicContact CB-CB 4.46Å; N239-K244 PolarHBondContact N-O 2.85Å; N239-K244 VanDerWaalsContact N-O 3.16Å; N239-K244 PolarHBondContact OD1-N 3.5Å; N239-K244 PolarHBondContact OD1-O 3.13Å
240T97.6Very high98.1Very high26 Ų2643.3 Ų43.316%0.1624%0.236CC..THydrogen-bonded Turntrans-67.7-16.9-167.655.30000115.9D77 L81 T216D77-T240 HydrophobicContact CB-CG2 4.02Å; D77-T240 PolarHBondContact OD2-OG1 3.1Å; L81-T240 HydrophobicContact CD1-CG2 3.66Å; T216-T240 HydrophobicContact CG2-CG2 3.86Å; T216-T240 WeakPolarHBondContact O-CG2 3.38Å
241D94.5Very high98.2Very high106 Ų10639.5 Ų39.557%0.56722%0.221SC*.THydrogen-bonded Turntrans-102.80.9172.362.521.1000113.2N239 S243N239-D241 VanDerWaalsContact C-N 3.26Å; N239-D241 VanDerWaalsContact CG-OD1 3.25Å; N239-D241 PolarHBondContact ND2-OD1 2.88Å; N239-D241 PolarHBondContact O-N 3Å; N239-D241 VanDerWaalsContact O-N 3.16Å; N239-D241 PolarHBondContact OD1-OD1 3.29Å; D241-S243 PolarHBondContact O-N 2.86Å; D241-S243 VanDerWaalsContact OD1-CB 3.24Å; D241-S243 WeakPolarHBondContact OD1-CB 3.31Å; D241-S243 PolarHBondContact OD1-N 3.28Å; D241-S243 PolarHBondContact OD1-OG 2.96Å; D241-S243 PolarHBondContact OD2-OG 2.64Å
242S94.4Very high98.2Very high64 Ų6441.2 Ų41.245%0.44823%0.23SC..SBendtrans6014.9-175.1-58.60000117.1T238 N239 K244T238-S242 PolarHBondContact OG1-OG 2.81Å; N239-S242 PolarHBondContact O-N 2.91Å; N239-S242 WeakPolarHBondContact OD1-CA 3.35Å; N239-S242 PolarHBondContact OD1-N 3.46Å; S242-K244 VanDerWaalsContact C-N 3.29Å; S242-K244 PolarHBondContact O-N 2.78Å
243S96.7Very high98.1Very high95 Ų9539.2 Ų39.266%0.66422%0.221SC*.  trans-71.2-18.1175.361.40000114.5N239 D241N239-S243 PolarHBondContact ND2-OG 3.2Å; N239-S243 PolarHBondContact OD1-N 3.36Å; N239-S243 VanDerWaalsContact OD1-N 3.08Å; D241-S243 PolarHBondContact O-N 2.86Å; D241-S243 VanDerWaalsContact OD1-CB 3.24Å; D241-S243 WeakPolarHBondContact OD1-CB 3.31Å; D241-S243 PolarHBondContact OD1-N 3.28Å; D241-S243 PolarHBondContact OD1-OG 2.96Å; D241-S243 PolarHBondContact OD2-OG 2.64Å
244K98.3Very high98.1Very high95 Ų9542 Ų4241%0.41324%0.236SC..SBendtrans-132.1120.3-176-177177.4173.8-179.20112.1S209 T238 N239 S242S209-K244 WeakPolarHBondContact OG-CE 3.34Å; T238-K244 VanDerWaalsContact CA-O 3.27Å; T238-K244 WeakPolarHBondContact CA-O 3.29Å; N239-K244 HydrophobicContact CB-CB 4.46Å; N239-K244 PolarHBondContact N-O 2.85Å; N239-K244 VanDerWaalsContact N-O 3.16Å; N239-K244 PolarHBondContact OD1-N 3.5Å; N239-K244 PolarHBondContact OD1-O 3.13Å; S242-K244 VanDerWaalsContact C-N 3.29Å; S242-K244 PolarHBondContact O-N 2.78Å
245L98.8Very high97.9Very high58 Ų5841.4 Ų41.430%0.30423%0.231SC..EExtended strand (participates in β ladder)trans-80123.2170.3-175.465.3000110.7R208 S209 Q236 T238 T247R208-L245 HydrophobicContact CB-CG 4.41Å; R208-L245 HydrophobicContact CG-CD2 4.06Å; R208-L245 HydrophobicContact CG-CG 4.36Å; S209-L245 PolarHBondContact OG-O 2.97Å; Q236-L245 HydrophobicContact CB-CD1 4Å; Q236-L245 HydrophobicContact CG-CD1 4.27Å; T238-L245 HydrophobicContact CG2-CD1 4.18Å; L245-T247 WeakPolarHBondContact CD1-O 3.24Å
246H98.8Very high97.5Very high13 Ų1343.1 Ų43.16%0.0624%0.24CC..EExtended strand (participates in β ladder)trans-98-41.3175.9-75.6-83.3000112.4R208 S209 P210 I211 V237R208-H246 PolarHBondContact N-O 2.74Å; S209-H246 PolarHBondContact N-O 3.25Å; S209-H246 WeakPolarHBondContact O-CA 3.48Å; S209-H246 WeakPolarHBondContact O-CB 3.48Å; S209-H246 PolarHBondContact O-ND1 2.95Å; S209-H246 VanDerWaalsContact O-ND1 3.09Å; S209-H246 VanDerWaalsContact O-O 3.09Å; S209-H246 PolarHBondContact OG-ND1 3.48Å; P210-H246 PolarHBondContact O-CE1 3.1Å; P210-H246 PolarHBondContact O-ND1 3.13Å; I211-H246 HydrophobicContact CD1-CB 3.99Å; I211-H246 HydrophobicContact CG1-CB 3.63Å; I211-H246 WeakPolarHBondContact CG1-ND1 3.48Å; V237-H246 WeakPolarHBondContact O-CB 3.44Å; V237-H246 PolarHBondContact O-N 3.22Å
247T98.8Very high96.5Very high1 Ų143 Ų431%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-155.8145.6-177.6-61.50000109.2I179 I183 I205 N206 Y207 V237 L245I179-T247 HydrophobicContact CG2-CG2 4.34Å; I183-T247 HydrophobicContact CD1-CG2 3.65Å; I205-T247 HydrophobicContact CG2-CG2 3.3Å; N206-T247 WeakPolarHBondContact O-CA 3.34Å; Y207-T247 HydrophobicContact CD1-CG2 4Å; Y207-T247 HydrophobicContact CE1-CG2 4.28Å; V237-T247 HydrophobicContact CG2-CG2 4.39Å; V237-T247 PolarHBondContact N-O 2.75Å; V237-T247 PolarHBondContact O-N 3.2Å; L245-T247 WeakPolarHBondContact CD1-O 3.24Å
248E98.7Very high94.6Very high53 Ų5348.5 Ų48.525%0.24827%0.273CS..EExtended strand (participates in β ladder)trans-128.3151.7170.364.5-173.6170.100109.6N206 R208 C235 Q236N206-E248 HydrophobicContact CB-CG 3.8Å; N206-E248 PolarHBondContact N-O 2.84Å; N206-E248 PolarHBondContact O-N 2.96Å; R208-E248 HydrophobicContact CG-CG 4.48Å; R208-E248 IonicContact CZ-OE1 2.67Å; R208-E248 IonicContact NE-OE1 3.67Å; R208-E248 PolarHBondContact NE-OE1 3.11Å; R208-E248 IonicContact NH2-OE1 2.77Å; R208-E248 PolarHBondContact NH2-OE1 3.33Å; C235-E248 CarbonylContact O-C 3.58Å; C235-E248 WeakPolarHBondContact O-CA 3.44Å; Q236-E248 HydrophobicContact CG-CB 4.45Å
249A98.9Very high92.5Very high7 Ų750.7 Ų50.76%0.05830%0.298CS..EExtended strand (participates in β ladder)trans-151155.3-174.900000113I183 N204 I205 S234 C235I183-A249 HydrophobicContact CD1-CB 4.24Å; I183-A249 HydrophobicContact CG2-CB 3.64Å; N204-A249 CarbonylContact O-C 3.58Å; N204-A249 WeakPolarHBondContact O-CA 3.5Å; N204-A249 VanDerWaalsContact O-CB 3.24Å; N204-A249 WeakPolarHBondContact O-CB 3.4Å; I205-A249 HydrophobicContact CB-CB 4.48Å; I205-A249 HydrophobicContact CG1-CB 4.05Å; S234-A249 WeakPolarHBondContact CA-O 3.45Å; C235-A249 PolarHBondContact N-O 2.99Å; C235-A249 PolarHBondContact O-N 2.89Å
250T98.9Very high90.4Very high70 Ų7057.3 Ų57.343%0.42933%0.328SS..EExtended strand (participates in β ladder)trans-124.6135167.256.30000109.9N204 V233N204-T250 PolarHBondContact N-O 3.48Å; N204-T250 PolarHBondContact O-N 3.36Å; V233-T250 WeakPolarHBondContact O-CA 3.15Å
251G98.6Very high88.1Confident4 Ų458.8 Ų58.84%0.04133%0.334CS..EExtended strand (participates in β ladder)trans-122.3136-179.800000111.8N202 F232 V233N202-G251 WeakPolarHBondContact O-CA 3.14Å; F232-G251 WeakPolarHBondContact CA-O 3.33Å; V233-G251 PolarHBondContact N-O 3.26Å; V233-G251 PolarHBondContact O-N 2.84Å
252L98.8Very high85.9Confident38 Ų3859.6 Ų59.620%0.19934%0.338CS..EExtended strand (participates in β ladder)trans-112.8120.7170.4169.958.8000109.2A201 N202 K230 F232A201-L252 HydrophobicContact CB-CG 4.43Å; A201-L252 PolarHBondContact N-O 3.33Å; N202-L252 HydrophobicContact CB-CB 4.15Å; N202-L252 PolarHBondContact N-O 2.75Å; N202-L252 PolarHBondContact O-N 2.91Å; K230-L252 HydrophobicContact CB-CD1 3.72Å; K230-L252 HydrophobicContact CD-CD1 4.21Å; K230-L252 HydrophobicContact CG-CD1 4.08Å; F232-L252 HydrophobicContact CD1-CD1 4.02Å; F232-L252 HydrophobicContact CD2-CD1 4.3Å; F232-L252 HydrophobicContact CE1-CD1 3.87Å; F232-L252 HydrophobicContact CE1-CD2 4.37Å; F232-L252 HydrophobicContact CE2-CD1 4.17Å; F232-L252 HydrophobicContact CG-CD1 4.26Å; F232-L252 HydrophobicContact CZ-CD1 3.96Å
253F98.5Very high83.3Confident1 Ų159.8 Ų59.80%0.00435%0.35CS..EExtended strand (participates in β ladder)trans-115.3139.1-179.8-69.5-91.8000110.9T187 G188 A191 V198 M199 T200 K230 T231 V233T187-F253 WeakPolarHBondContact OG1-CZ 3Å; G188-F253 VanDerWaalsContact N-CZ 3.34Å; A191-F253 HydrophobicContact CB-CB 3.64Å; A191-F253 HydrophobicContact CB-CD1 4.05Å; A191-F253 HydrophobicContact CB-CD2 3.74Å; A191-F253 HydrophobicContact CB-CE2 4.48Å; A191-F253 HydrophobicContact CB-CG 3.51Å; V198-F253 HydrophobicContact CB-CB 4.07Å; V198-F253 HydrophobicContact CB-CD1 4.43Å; V198-F253 HydrophobicContact CG1-CB 4.3Å; V198-F253 HydrophobicContact CG2-CB 4.23Å; V198-F253 HydrophobicContact CG2-CD1 3.94Å; V198-F253 HydrophobicContact CG2-CG 4.42Å; M199-F253 WeakPolarHBondContact O-CA 3.22Å; T200-F253 HydrophobicContact CG2-CE1 3.94Å; T200-F253 HydrophobicContact CG2-CZ 3.95Å; T200-F253 WeakPolarHBondContact OG1-CE1 3.5Å; K230-F253 CarbonylContact C-O 3.6Å; K230-F253 WeakPolarHBondContact CA-O 3.23Å; T231-F253 PolarHBondContact N-O 2.82Å; T231-F253 PolarHBondContact O-N 3.32Å; V233-F253 HydrophobicContact CG2-CD2 3.92Å; V233-F253 HydrophobicContact CG2-CE2 3.75Å
254L98Very high80.5Confident59 Ų5962.4 Ų62.431%0.30939%0.392SS..EExtended strand (participates in β ladder)trans-110.8126.7177.8-64.2177.8000110.6V198 M199 A201 R229 K230V198-L254 CarbonylContact C-O 3.52Å; V198-L254 WeakPolarHBondContact CA-O 3.36Å; M199-L254 PolarHBondContact N-O 2.93Å; M199-L254 PolarHBondContact O-N 2.99Å; A201-L254 HydrophobicContact CB-CD1 3.69Å; A201-L254 HydrophobicContact CB-CG 3.73Å; R229-L254 WeakPolarHBondContact O-CA 3.49Å; K230-L254 HydrophobicContact CB-CD2 4.47Å; K230-L254 HydrophobicContact CG-CD2 3.88Å
255S94.3Very high79.6Confident27 Ų2760.8 Ų60.819%0.18939%0.391CS..EExtended strand (participates in β ladder)trans-72.2142.2175.963.20000112.5P197 R229P197-S255 WeakPolarHBondContact O-CA 3.49Å; R229-S255 WeakPolarHBondContact CA-OG 3.29Å; R229-S255 WeakPolarHBondContact CB-OG 3.13Å; R229-S255 PolarHBondContact NH1-O 3.11Å; R229-S255 PolarHBondContact O-N 2.86Å; R229-S255 PolarHBondContact O-OG 2.87Å
256I89.8Confident78.6Confident40 Ų4060.9 Ų60.921%0.20540%0.396CS..  trans-123129.7-175.657.7170.4000111.9P197 M199 L261P197-I256 HydrophobicContact CB-CD1 4.42Å; P197-I256 HydrophobicContact CB-CG1 3.87Å; P197-I256 WeakPolarHBondContact O-CG1 3.4Å; P197-I256 PolarHBondContact O-N 3.08Å; M199-I256 HydrophobicContact CE-CD1 3.91Å; M199-I256 HydrophobicContact CG-CD1 4.09Å; M199-I256 HydrophobicContact CG-CG2 4.4Å; I256-L261 HydrophobicContact CD1-CD1 3.68Å; I256-L261 HydrophobicContact CD1-CG 4.01Å; I256-L261 HydrophobicContact CG1-CD1 4.44Å
257T79.1Confident77.4Confident103 Ų10363.6 Ų63.663%0.63241%0.414SS*.  trans-80.6140174.6-42.20000109.9G259 H260T257-G259 PolarHBondContact O-N 2.83Å; T257-H260 PolarHBondContact O-N 2.97Å
258M59.2Low76.2Confident115 Ų11567.2 Ų67.257%0.56744%0.438SS*.G310 helixtrans-53.8-25.9-173.2-68.9-64-17500115.4P197 H260 L261P197-M258 HydrophobicContact CG-CE 3.85Å; M258-H260 VanDerWaalsContact C-N 3.32Å; M258-H260 PolarHBondContact O-N 2.82Å; M258-L261 WeakPolarHBondContact O-CA 3.4Å; M258-L261 WeakPolarHBondContact O-CB 3.31Å; M258-L261 PolarHBondContact O-N 3.42Å; M258-L261 HydrophobicContact SD-CD1 4.03Å
259G53.2Low74.8Confident57 Ų5768.1 Ų68.159%0.58845%0.45SS*.G310 helixtrans-59.8-36.6174.900000114.1T257 L261T257-G259 PolarHBondContact O-N 2.83Å; G259-L261 PolarHBondContact O-N 2.98Å
260H54.5Low73.2Confident171 Ų17172.2 Ų72.279%0.79248%0.476SS*.G310 helixtrans-73-9.8174-78.696000113.2T257 M258T257-H260 PolarHBondContact O-N 2.97Å; M258-H260 VanDerWaalsContact C-N 3.32Å; M258-H260 PolarHBondContact O-N 2.82Å
261L50.2Low71.3Confident57 Ų5772.4 Ų72.430%0.29848%0.48SS..G310 helixtrans-99.90.9-174.4-123.3173.5000113I256 M258 G259I256-L261 HydrophobicContact CD1-CD1 3.68Å; I256-L261 HydrophobicContact CD1-CG 4.01Å; I256-L261 HydrophobicContact CG1-CD1 4.44Å; M258-L261 WeakPolarHBondContact O-CA 3.4Å; M258-L261 WeakPolarHBondContact O-CB 3.31Å; M258-L261 PolarHBondContact O-N 3.42Å; M258-L261 HydrophobicContact SD-CD1 4.03Å; G259-L261 PolarHBondContact O-N 2.98Å
262L48.1Very low69.2Low123 Ų12377.6 Ų77.664%0.64451%0.513SS*.SBendtrans-138.92.4-174.9-65.3174.3000113.4L122L122-L262 HydrophobicContact CD1-CD2 4.21Å; L122-L262 HydrophobicContact CD2-CD2 3.89Å
263G39.5Very low66.8Low68 Ų6880.9 Ų80.970%0.70154%0.54SS*.  trans-131.149.6-171.200000113.3
264G37.1Very low63.9Low150 Ų15088.2 Ų88.2100%1.54659%0.588SS**  trans-142.80172.700000110.1

Retrieved 264 of 264 residues in 714.7 ms (Link to these results)