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Mei-P26

AlphaFold DB , UniProt , Accession A0A075BJR5, Species DROME (Drosophila melanogaster, Fruit fly), Gene mei-P26, Length 310 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
1S32.2Very low33.4Very low168 Ų168124.6 Ų124.6100%1.17569%0.694SS**  099.2039.10000107.5
2S30.2Very low33.1Very low122 Ų122124.9 Ų124.985%0.85371%0.709SS**  trans-83.5108.3-177.940.40000109.4E4S2-E4 PolarHBondContact O-N 3.3Å
3T27.8Very low33.4Very low128 Ų128127.4 Ų127.479%0.78571%0.714SS**  trans-80.3103.8165300000108.2I5T3-I5 PolarHBondContact O-N 2.97Å
4E28.1Very low33Very low189 Ų189125.9 Ų125.988%0.88371%0.712SS**  trans-62.3112.9160-77.5176.3146.400107.7S2 D6S2-E4 PolarHBondContact O-N 3.3Å; E4-D6 PolarHBondContact O-N 3.34Å
5I30.2Very low32.7Very low109 Ų109126 Ų12656%0.55972%0.72SS**  trans-88.8100.8169.2-61.9174.1000106T3 R301T3-I5 PolarHBondContact O-N 2.97Å; I5-R301 PolarHBondContact O-NH2 3.23Å
6D31.8Very low32.8Very low102 Ų102123.4 Ų123.455%0.54572%0.719SS.*  trans-72118.8174.3-142.2-8.8000107.9E4 L8 S9E4-D6 PolarHBondContact O-N 3.34Å; D6-L8 PolarHBondContact O-N 2.8Å; D6-S9 WeakPolarHBondContact CB-OG 3.33Å; D6-S9 PolarHBondContact O-N 3.47Å; D6-S9 VanDerWaalsContact O-N 3.1Å; D6-S9 PolarHBondContact O-OG 3.32Å
7F39.5Very low32.6Very low110 Ų110124.1 Ų124.148%0.48273%0.725SS.*THydrogen-bonded Turntrans-71-2.7-175-94.5-109.2000113.4R301F7-R301 VanDerWaalsContact CE2-CZ 3.44Å
8L41Very low32.8Very low116 Ų116121.2 Ų121.261%0.60771%0.713SS**THydrogen-bonded Turntrans-103.8-19.7172.3-77.4158.8000113.3D6 D10 F11D6-L8 PolarHBondContact O-N 2.8Å; L8-D10 PolarHBondContact O-N 3.21Å; L8-F11 PolarHBondContact O-N 2.77Å
9S34.2Very low32.7Very low74 Ų74120.3 Ų120.352%0.51771%0.711SS.*THydrogen-bonded Turntrans-76.6-22.1-174.465.40000113.9D6 F11D6-S9 WeakPolarHBondContact CB-OG 3.33Å; D6-S9 PolarHBondContact O-N 3.47Å; D6-S9 VanDerWaalsContact O-N 3.1Å; D6-S9 PolarHBondContact O-OG 3.32Å; S9-F11 VanDerWaalsContact C-N 3.26Å; S9-F11 PolarHBondContact O-N 3.02Å
10D33.6Very low32.8Very low126 Ų126118.6 Ų118.667%0.67471%0.705SS**THydrogen-bonded Turntrans-85.65.6175.3-75.5-14.6000113.4L8L8-D10 PolarHBondContact O-N 3.21Å
11F39.2Very low33.5Very low127 Ų127117.5 Ų117.556%0.55770%0.695SS**  trans-133.762.4177.1-72.6-81.1000112.2L8 S9 M13L8-F11 PolarHBondContact O-N 2.77Å; S9-F11 VanDerWaalsContact C-N 3.26Å; S9-F11 PolarHBondContact O-N 3.02Å; F11-M13 PolarHBondContact O-N 2.78Å
12C29.2Very low33.7Very low128 Ų128117.8 Ų117.887%0.86568%0.678SS**  trans-87.787.4159.1-153.60000108.8
13M37.1Very low33.9Very low157 Ų157117.1 Ų117.177%0.77367%0.674SS**  trans-105.9142.8157.9-77.8-83.2-111.400107.3F11F11-M13 PolarHBondContact O-N 2.78Å
14P28.1Very low34.3Very low106 Ų106115.8 Ų115.869%0.68866%0.661SS**  trans-57.6148.3-177.924.6-33.3000110.3A16P14-A16 PolarHBondContact O-N 2.84Å
15P28.6Very low34.5Very low128 Ų128114.4 Ų114.483%0.83166%0.66SS**  trans-55115.1179.321.6-31.5000109.4T17P15-T17 PolarHBondContact O-N 3.5Å
16A34.4Very low34.8Very low85 Ų85114.1 Ų114.170%0.70267%0.665SS**  trans-66.2127.7162.700000106.5P14 S18P14-A16 PolarHBondContact O-N 2.84Å; A16-S18 PolarHBondContact O-N 2.67Å
17T28.6Very low34.9Very low135 Ų135117.5 Ų117.583%0.82868%0.681SS**  trans-64.999.7176.4360000108.9P15P15-T17 PolarHBondContact O-N 3.5Å
18S36.7Very low34.6Very low72 Ų72118.3 Ų118.350%0.50370%0.695SS.*PPolyproline II helixtrans-60.6127.8169.2-62.50000108.6A16 S20A16-S18 PolarHBondContact O-N 2.67Å; S18-S20 PolarHBondContact O-N 2.8Å
19P30.6Very low34Very low104 Ų104116.1 Ų116.168%0.67570%0.701SS**PPolyproline II helixtrans-62.2128.1168.124.2-29.5000108.3L21P19-L21 PolarHBondContact O-N 3.26Å
20S35Very low33.7Very low85 Ų85116 Ų11659%0.59471%0.711SS**PPolyproline II helixtrans-54.2130.6177.956.70000110.6S18 Q22S18-S20 PolarHBondContact O-N 2.8Å; S20-Q22 PolarHBondContact O-N 3.09Å
21L47.4Very low33.6Very low96 Ų96116.9 Ų116.950%0.50372%0.72SS.*  trans-6616.1173.5-86.7159.2000114.2P19 S23 Y167P19-L21 PolarHBondContact O-N 3.26Å; L21-S23 VanDerWaalsContact C-N 3.27Å; L21-S23 PolarHBondContact O-N 2.88Å; L21-Y167 HydrophobicContact CD2-CD1 3.87Å; L21-Y167 HydrophobicContact CD2-CE1 4.09Å
22Q36.8Very low33.1Very low174 Ų174120 Ų12081%0.81374%0.737SS**THydrogen-bonded Turntrans-76.671.5174.6-68.8-178.1-10.300111.1S20S20-Q22 PolarHBondContact O-N 3.09Å
23S33.9Very low33Very low108 Ų108121.1 Ų121.176%0.75573%0.734SS**THydrogen-bonded Turntrans-164.824.615654.90000115.1L21L21-S23 VanDerWaalsContact C-N 3.27Å; L21-S23 PolarHBondContact O-N 2.88Å
24L37Very low32.6Very low101 Ų101122.7 Ų122.753%0.52974%0.742SS.*SBendtrans-118.8107.1165.2-71167.3000107.7P26L24-P26 WeakPolarHBondContact O-CD 3.39Å
25N30.7Very low32.6Very low160 Ų160120.9 Ų120.986%0.85674%0.743SS**  trans-56.4122.2-177.2-77-27.3000110.7
26P37.3Very low32.9Very low103 Ų103123 Ų12367%0.66975%0.746SS**  trans-71.6139.4161.829-30.4000109.3L24 V28L24-P26 WeakPolarHBondContact O-CD 3.39Å; P26-V28 PolarHBondContact O-N 3.22Å; P26-V28 VanDerWaalsContact O-N 3.09Å
27I34Very low32.5Very low173 Ų173125.9 Ų125.989%0.88775%0.75SS**  trans-69105.5168.1-65.6175.1000106.7G29I27-G29 PolarHBondContact O-N 2.89Å
28V32.7Very low32.7Very low126 Ų126126.2 Ų126.276%0.76475%0.747SS**  trans-75.5109-180179.40000109.5P26P26-V28 PolarHBondContact O-N 3.22Å; P26-V28 VanDerWaalsContact O-N 3.09Å
29G30Very low32.4Very low71 Ų71132.7 Ų132.773%0.73277%0.766SS**  trans-102.4107.3156.400000108.1I27I27-G29 PolarHBondContact O-N 2.89Å
30G27.1Very low32.3Very low71 Ų71136 Ų13673%0.73277%0.772SS**  trans-69144.8-174.600000113.4
31V32.1Very low32.1Very low144 Ų144136.8 Ų136.887%0.87378%0.784SS**  trans-135.8124.9160.2-170.70000107.7
32E27.6Very low31.3Very low192 Ų192138.9 Ų138.990%0.89780%0.8SS**  trans-69.9146.6175.5-70.2179.315100111.6
33D28.2Very low31.1Very low153 Ų153134.9 Ų134.982%0.81880%0.797SS**  trans-64125.6177.6-172.515.7000112.1
34M29Very low31Very low190 Ų190134 Ų13494%0.93680%0.796SS**  trans-147.899.8158.9-85.8-147.5-109.500111.4
35G26.9Very low30.8Very low68 Ų68135.9 Ų135.970%0.70181%0.814SS**  63.8106.3127.100000118.4N37G35-N37 PolarHBondContact O-N 3.26Å
36L34.4Very low30.9Very low172 Ų172130.8 Ų130.890%0.90180%0.8SS**  trans-53.2119.5156.3-87.987000110.1
37N26.5Very low30.7Very low145 Ų145133.3 Ų133.378%0.77581%0.813SS**  trans-166.4127.8143.4-90.7-33.2000111.7G35G35-N37 PolarHBondContact O-N 3.26Å
38N33.5Very low30.7Very low143 Ų143130.7 Ų130.777%0.76581%0.806SS**  trans36.3106155.5-80.3-7.7000119.7
39F29.7Very low30.8Very low207 Ų207129.8 Ų129.891%0.90881%0.805SS**  trans-127.4104.4150.8-71.3-75.9000111.2A41F39-A41 PolarHBondContact O-N 3.25Å
40H29.2Very low31.2Very low175 Ų175131.4 Ų131.481%0.8180%0.8SS**  trans-66.3118.1155-89.6-87.2000108.2V42H40-V42 PolarHBondContact O-N 2.87Å
41A31.1Very low31.8Very low101 Ų101133 Ų13384%0.83580%0.795SS**  trans-70.9114.9167.500000109.3F39F39-A41 PolarHBondContact O-N 3.25Å
42V29.8Very low32.2Very low139 Ų139132.5 Ų132.584%0.84279%0.793SS**  trans-87.1107.1164.4178.70000107H40H40-V42 PolarHBondContact O-N 2.87Å
43A32.7Very low32.8Very low91 Ų91125.3 Ų125.375%0.75277%0.771SS**  trans-80.7134.9171.600000110.4
44A31.8Very low33.9Very low88 Ų88128.3 Ų128.373%0.72777%0.77SS**  trans-72.3148.7167.200000110.5G46A44-G46 PolarHBondContact O-N 2.99Å
45P32.4Very low35.3Very low142 Ų142124.9 Ų124.992%0.92276%0.756SS**  trans-80.588.3-174.532-31.4000110.4
46G32.3Very low37.8Very low53 Ų53130.5 Ų130.555%0.54676%0.761SS.*  trans-112.9125160.700000108A44 T48A44-G46 PolarHBondContact O-N 2.99Å; G46-T48 PolarHBondContact O-N 2.77Å
47T34.6Very low40.4Very low155 Ų155122.8 Ų122.895%0.95172%0.722SS**  trans-58.488.1-173.5-9.50000111.6S49T47-S49 PolarHBondContact O-N 3.31Å
48T34.2Very low43.6Very low119 Ų119119.4 Ų119.473%0.7371%0.707SS**  trans-79.7104.3163.739.70000107.4G46 V50G46-T48 PolarHBondContact O-N 2.77Å; T48-V50 PolarHBondContact O-N 2.96Å
49S33.1Very low46.5Very low107 Ų107116.9 Ų116.975%0.74870%0.698SS**  trans-65.288.2162.151.30000107.7T47 V51T47-S49 PolarHBondContact O-N 3.31Å; S49-V51 PolarHBondContact O-N 3.2Å
50V38.9Very low49.5Very low105 Ų105109.5 Ų109.564%0.63667%0.667SS**  trans-64.2103.6164.6-174.60000105.7T48 T52T48-V50 PolarHBondContact O-N 2.96Å; V50-T52 VanDerWaalsContact C-N 3.27Å; V50-T52 HydrophobicContact CB-CG2 4.19Å; V50-T52 HydrophobicContact CG1-CG2 3.52Å; V50-T52 PolarHBondContact O-N 2.81Å
51V40.2Very low52.4Low104 Ų104109.8 Ų109.863%0.6367%0.669SS**  trans-68.892.8171.3-179.60000106.7S49 G53S49-V51 PolarHBondContact O-N 3.2Å; V51-G53 VanDerWaalsContact C-N 3.28Å
52T39.2Very low55.2Low133 Ų133109.3 Ų109.382%0.81665%0.651SS**  trans-88.914.6178.848.60000113.3V50V50-T52 VanDerWaalsContact C-N 3.27Å; V50-T52 HydrophobicContact CB-CG2 4.19Å; V50-T52 HydrophobicContact CG1-CG2 3.52Å; V50-T52 PolarHBondContact O-N 2.81Å
53G40.6Very low58.1Low42 Ų42114.6 Ų114.643%0.43366%0.656SS.*SBendtrans-107.5129.5172.500000110.6V51 N55V51-G53 VanDerWaalsContact C-N 3.28Å; G53-N55 PolarHBondContact O-N 3.09Å
54R51.6Low60.8Low215 Ų215113.7 Ų113.781%0.81164%0.644SS**  trans-57.993.9156.1-96.3-177.5172.9166.9-1.7106.7K56R54-K56 PolarHBondContact O-N 2.86Å
55N59.4Low63.7Low119 Ų119118.2 Ų118.264%0.63665%0.647SS**PPolyproline II helixtrans-61.5125.8163.4-79.3-22.6000105.8G53 A57G53-N55 PolarHBondContact O-N 3.09Å; N55-A57 PolarHBondContact O-N 3.27Å; N55-A57 VanDerWaalsContact O-N 3.12Å
56K78.4Confident66.7Low185 Ų185114.7 Ų114.780%0.80462%0.617SS**PPolyproline II helixtrans-56.6122.7178.7-173.7178.3179.4-178.10107.7R54 T58R54-K56 PolarHBondContact O-N 2.86Å; K56-T58 PolarHBondContact O-N 3.42Å
57A89.2Confident69.7Low10 Ų10114 Ų1148%0.08361%0.609CS.*PPolyproline II helixtrans-52138.8-179.400000110.7N55 P59 E291 E293N55-A57 PolarHBondContact O-N 3.27Å; N55-A57 VanDerWaalsContact O-N 3.12Å; A57-P59 WeakPolarHBondContact O-CD 3.42Å; A57-E291 CarbonylContact C-O 3.58Å; A57-E291 WeakPolarHBondContact CA-O 3.28Å; A57-E291 HydrophobicContact CB-CB 3.86Å; A57-E293 HydrophobicContact CB-CB 4Å; A57-E293 HydrophobicContact CB-CG 3.76Å
58T94.8Very high72.6Confident74 Ų74109.6 Ų109.645%0.45459%0.585SS.*EExtended strand (participates in β ladder)trans-72.9125.8-178.8-59.60000109.3K56 M60 E291 F292 E293K56-T58 PolarHBondContact O-N 3.42Å; T58-M60 PolarHBondContact O-N 3.34Å; T58-E291 PolarHBondContact N-O 3.04Å; T58-F292 HydrophobicContact CG2-CD1 4.16Å; T58-F292 HydrophobicContact CG2-CE1 4.29Å; T58-F292 CarbonylContact O-C 3.41Å; T58-F292 VanDerWaalsContact O-CA 3.24Å; T58-F292 WeakPolarHBondContact O-CA 3.1Å; T58-E293 PolarHBondContact O-N 3.33Å
59P93.1Very high75.6Confident91 Ų91110.8 Ų110.859%0.59159%0.586SS**EExtended strand (participates in β ladder)trans-63.9128.7179.1-23.834.6000112.3A57 E293A57-P59 WeakPolarHBondContact O-CD 3.42Å; P59-E293 CarbonylContact C-O 3.53Å; P59-E293 VanDerWaalsContact CA-O 3.3Å; P59-E293 WeakPolarHBondContact CA-O 3.2Å
60M92.8Very high78.7Confident51 Ų51106.5 Ų106.525%0.25156%0.559SS.*PPolyproline II helixtrans-91.4142170.7-63.2-171.7-75.700111.1T58 F277 V279 F292 E293 C294T58-M60 PolarHBondContact O-N 3.34Å; M60-F277 HydrophobicContact CE-CD1 3.69Å; M60-F277 HydrophobicContact CE-CE1 4.05Å; M60-V279 HydrophobicContact CE-CB 4.46Å; M60-V279 HydrophobicContact CE-CG2 4Å; M60-V279 HydrophobicContact SD-CG2 4.49Å; M60-F292 HydrophobicContact CE-CB 4.05Å; M60-F292 HydrophobicContact CG-CB 3.65Å; M60-F292 HydrophobicContact CG-CD1 4.39Å; M60-F292 HydrophobicContact CG-CG 4.39Å; M60-F292 HydrophobicContact SD-CB 3.67Å; M60-F292 HydrophobicContact SD-CG 4.49Å; M60-E293 PolarHBondContact N-O 2.77Å; M60-C294 HydrophobicContact CB-CB 4.28Å; M60-C294 HydrophobicContact CE-CB 4.29Å; M60-C294 PolarHBondContact O-SG 2.89Å
61Q89.8Confident81.6Confident181 Ų181106.3 Ų106.385%0.84656%0.558SS**PPolyproline II helixtrans-99.9134.6171.9-65.4-170.6-7.400110.9R63Q61-R63 PolarHBondContact O-N 2.99Å
62I90.6Very high84.3Confident91 Ų91103.8 Ų103.847%0.46755%0.549SS..PPolyproline II helixtrans-73.7118171.3-53.2172.4000107.8C64 K65 V297I62-C64 WeakPolarHBondContact CG2-O 3.42Å; I62-K65 HydrophobicContact CG2-CB 4.32Å; I62-V297 HydrophobicContact CD1-CG2 3.24Å; I62-V297 HydrophobicContact CG1-CG2 3.85Å
63R90Very high87.1Confident251 Ų251105 Ų10595%0.94754%0.543SS*.  trans-84.2-42.1172.6-68.5-163.4178.2-178.73.6112.6Q61Q61-R63 PolarHBondContact O-N 2.99Å
64C90.4Very high89.8Confident72 Ų72104 Ų10449%0.48653%0.532SS..  trans-142.5147.7179-1750000110.2I62 M106I62-C64 WeakPolarHBondContact CG2-O 3.42Å; C64-M106 PolarHBondContact SG-O 3.41Å; C64-M106 VanDerWaalsContact SG-O 3.36Å
65K92.2Very high92Very high182 Ų18296.5 Ų96.579%0.79151%0.506SS*.  trans-143130.8168.2174.8-175.2174.1-177.60107.3I62I62-K65 HydrophobicContact CG2-CB 4.32Å
66F95.1Very high93.8Very high69 Ų6992 Ų9230%0.30348%0.481SS..  trans-136.4167.2178.162.9-88.1000111F76 I90 F103F66-F76 HydrophobicContact CD2-CE2 4.38Å; F66-F76 HydrophobicContact CD2-CZ 4.49Å; F66-F76 HydrophobicContact CE2-CE2 4.42Å; F66-F76 HydrophobicContact CE2-CZ 4.19Å; F66-I90 HydrophobicContact CE1-CD1 3.83Å; F66-I90 HydrophobicContact CZ-CD1 3.86Å; F66-I90 HydrophobicContact CZ-CG2 4.29Å; F66-F103 AromaticContact CD2-CD1 3.94Å; F66-F103 HydrophobicContact CD2-CD1 3.94Å; F66-F103 AromaticContact CD2-CE1 3.94Å; F66-F103 HydrophobicContact CD2-CE1 3.94Å; F66-F103 HydrophobicContact CD2-CG 4.4Å; F66-F103 HydrophobicContact CD2-CZ 4.41Å; F66-F103 HydrophobicContact CE2-CB 4.32Å; F66-F103 AromaticContact CE2-CD1 3.63Å; F66-F103 HydrophobicContact CE2-CD1 3.63Å; F66-F103 AromaticContact CE2-CD2 3.82Å; F66-F103 HydrophobicContact CE2-CD2 3.82Å; F66-F103 AromaticContact CE2-CE1 3.84Å; F66-F103 HydrophobicContact CE2-CE1 3.84Å; F66-F103 HydrophobicContact CE2-CE2 4.02Å; F66-F103 AromaticContact CE2-CG 3.64Å; F66-F103 HydrophobicContact CE2-CG 3.64Å; F66-F103 HydrophobicContact CE2-CZ 4.05Å; F66-F103 HydrophobicContact CZ-CB 4.36Å; F66-F103 HydrophobicContact CZ-CD1 4.44Å; F66-F103 HydrophobicContact CZ-CD2 4.36Å; F66-F103 HydrophobicContact CZ-CG 4.14Å
67G95.9Very high94.7Very high37 Ų3785.5 Ų85.538%0.38146%0.455SS..  trans90.5152.5-176.300000114.8G74G67-G74 WeakPolarHBondContact CA-O 3.48Å
68S96.1Very high95Very high63 Ų6387.4 Ų87.444%0.44147%0.467SS..  trans-143.8163.9171.369.20000109.9G70 Q75 F76S68-G70 PolarHBondContact O-N 3.08Å; S68-Q75 CarbonylContact O-C 3.47Å; S68-Q75 VanDerWaalsContact O-CA 3.23Å; S68-Q75 WeakPolarHBondContact O-CA 3.41Å; S68-Q75 WeakPolarHBondContact O-CB 3.16Å; S68-Q75 WeakPolarHBondContact OG-CG 3.27Å; S68-Q75 PolarHBondContact OG-NE2 2.56Å; S68-F76 PolarHBondContact O-N 2.89Å
69L97.3Very high95Very high144 Ų14486.3 Ų86.375%0.75446%0.462SS*.BIsolated β-bridgetrans-60.8132.8172.4-179.965.9000110.5F76L69-F76 CarbonylContact C-O 3.58Å; L69-F76 VanDerWaalsContact CA-O 3.31Å; L69-F76 WeakPolarHBondContact CA-O 3.35Å
70G98.1Very high95.1Very high18 Ų1884.5 Ų84.519%0.18645%0.445CS..SBendtrans153.3-169.3172.500000114S68 F76 N97S68-G70 PolarHBondContact O-N 3.08Å; G70-F76 PolarHBondContact N-O 2.91Å; G70-F76 CarbonylContact O-C 3.37Å; G70-N97 PolarHBondContact O-ND2 2.84Å
71T98.1Very high95.2Very high100 Ų10082.1 Ų82.161%0.61343%0.434SS*.SBendtrans-117.6-8-176.461.80000113N97 R99T71-N97 WeakPolarHBondContact CG2-OD1 3.21Å; T71-R99 PolarHBondContact O-NH1 2.92Å; T71-R99 PolarHBondContact O-NH2 3.35Å
72A98.4Very high95.6Very high52 Ų5276.7 Ų76.743%0.4341%0.408SS..SBendtrans-71.8168.8177.200000111.3G74 Q75 R99A72-G74 PolarHBondContact O-N 2.98Å; A72-Q75 HydrophobicContact CB-CG 4.09Å; A72-Q75 VanDerWaalsContact CB-OE1 3.24Å; A72-Q75 VanDerWaalsContact N-OE1 3.11Å; A72-Q75 WeakPolarHBondContact O-CB 3.32Å; A72-Q75 PolarHBondContact O-N 3.18Å; A72-R99 PolarHBondContact O-NH2 2.9Å
73K97.3Very high95.9Very high159 Ų15972.9 Ų72.969%0.69139%0.389SS*.THydrogen-bonded Turntrans-56.4131.4176.8-70.7-175.2-179.9-177.50110.9Q75 L109K73-Q75 PolarHBondContact O-N 2.89Å; K73-L109 HydrophobicContact CB-CD2 3.63Å; K73-L109 HydrophobicContact CD-CD2 4.42Å; K73-L109 HydrophobicContact CG-CD2 4.27Å
74G96.8Very high96.2Very high19 Ų1962.4 Ų62.420%0.19635%0.352CS..THydrogen-bonded Turntrans73.56.6-177.900000114.3G67 A72 E101G67-G74 WeakPolarHBondContact CA-O 3.48Å; A72-G74 PolarHBondContact O-N 2.98Å; G74-E101 VanDerWaalsContact CA-OE2 3.26Å; G74-E101 WeakPolarHBondContact CA-OE2 3.36Å; G74-E101 PolarHBondContact N-OE2 2.97Å
75Q98.4Very high96.5Very high59 Ų5959.2 Ų59.228%0.27633%0.331SS..  trans-104.6150.5169.6-57.6-170.6-42.600109.7S68 A72 K73 R99S68-Q75 CarbonylContact O-C 3.47Å; S68-Q75 VanDerWaalsContact O-CA 3.23Å; S68-Q75 WeakPolarHBondContact O-CA 3.41Å; S68-Q75 WeakPolarHBondContact O-CB 3.16Å; S68-Q75 WeakPolarHBondContact OG-CG 3.27Å; S68-Q75 PolarHBondContact OG-NE2 2.56Å; A72-Q75 HydrophobicContact CB-CG 4.09Å; A72-Q75 VanDerWaalsContact CB-OE1 3.24Å; A72-Q75 VanDerWaalsContact N-OE1 3.11Å; A72-Q75 WeakPolarHBondContact O-CB 3.32Å; A72-Q75 PolarHBondContact O-N 3.18Å; K73-Q75 PolarHBondContact O-N 2.89Å; Q75-R99 PolarHBondContact O-NH2 3.2Å
76F97.9Very high96.4Very high23 Ų2354 Ų5410%0.10131%0.314CS..BIsolated β-bridgetrans-121.8153.8-175.5-55.9-67.9000112F66 S68 L69 G70 P79 V92 D94 E101 F103F66-F76 HydrophobicContact CD2-CE2 4.38Å; F66-F76 HydrophobicContact CD2-CZ 4.49Å; F66-F76 HydrophobicContact CE2-CE2 4.42Å; F66-F76 HydrophobicContact CE2-CZ 4.19Å; S68-F76 PolarHBondContact O-N 2.89Å; L69-F76 CarbonylContact C-O 3.58Å; L69-F76 VanDerWaalsContact CA-O 3.31Å; L69-F76 WeakPolarHBondContact CA-O 3.35Å; G70-F76 PolarHBondContact N-O 2.91Å; G70-F76 CarbonylContact O-C 3.37Å; F76-P79 HydrophobicContact CB-CB 4.31Å; F76-P79 HydrophobicContact CB-CG 3.99Å; F76-P79 HydrophobicContact CD1-CB 4.38Å; F76-P79 HydrophobicContact CG-CB 4.37Å; F76-P79 HydrophobicContact CG-CG 4.28Å; F76-V92 HydrophobicContact CD1-CG1 4.25Å; F76-V92 HydrophobicContact CE1-CB 4.14Å; F76-V92 HydrophobicContact CE1-CG1 3.88Å; F76-V92 HydrophobicContact CE1-CG2 4.46Å; F76-V92 HydrophobicContact CZ-CG1 4.48Å; F76-V92 HydrophobicContact CZ-CG2 4.47Å; F76-D94 WeakPolarHBondContact CA-OD1 3.13Å; F76-D94 HydrophobicContact CD1-CB 4.22Å; F76-E101 HydrophobicContact CE1-CB 4.34Å; F76-F103 AromaticContact CE1-CE2 3.76Å; F76-F103 HydrophobicContact CE1-CE2 3.76Å; F76-F103 AromaticContact CE1-CZ 3.74Å; F76-F103 HydrophobicContact CE1-CZ 3.74Å; F76-F103 HydrophobicContact CE2-CZ 4.37Å; F76-F103 HydrophobicContact CZ-CE1 4.3Å; F76-F103 AromaticContact CZ-CE2 3.5Å; F76-F103 HydrophobicContact CZ-CE2 3.5Å; F76-F103 VanDerWaalsContact CZ-CE2 3.5Å; F76-F103 AromaticContact CZ-CZ 3.32Å; F76-F103 HydrophobicContact CZ-CZ 3.32Å
77N97.1Very high96.3Very high49 Ų4956.4 Ų56.426%0.26233%0.331SS..SBendtrans-132.599.7166.7-169.9-8.4000108.7D94 N96 N97N77-D94 PolarHBondContact N-OD1 3.28Å; N77-N96 HydrophobicContact CB-CB 3.84Å; N77-N96 VanDerWaalsContact O-CB 3.31Å; N77-N96 WeakPolarHBondContact O-CB 3.25Å; N77-N96 PolarHBondContact O-N 2.78Å; N77-N96 WeakPolarHBondContact OD1-CB 3.38Å; N77-N96 PolarHBondContact OD1-ND2 3.26Å; N77-N96 VanDerWaalsContact OD1-ND2 3.17Å; N77-N97 WeakPolarHBondContact CB-OD1 3.41Å; N77-N97 PolarHBondContact N-ND2 2.87Å
78S94.8Very high96.2Very high50 Ų5056 Ų5635%0.3532%0.319SS..  trans54.871-175.3-59.90000113.8H80 T95 N96S78-H80 PolarHBondContact O-CD2 3.3Å; S78-H80 PolarHBondContact O-N 2.89Å; S78-T95 WeakPolarHBondContact O-CB 3.37Å; S78-T95 PolarHBondContact O-N 2.86Å; S78-T95 PolarHBondContact O-OG1 3.17Å; S78-T95 VanDerWaalsContact O-OG1 3.08Å; S78-N96 PolarHBondContact OG-ND2 2.94Å
79P95.9Very high96.3Very high52 Ų5254.6 Ų54.634%0.33831%0.305SS..EExtended strand (participates in β ladder)trans-73.796.6176.530.5-32.8000110.8F76 V92 A93 C303F76-P79 HydrophobicContact CB-CB 4.31Å; F76-P79 HydrophobicContact CB-CG 3.99Å; F76-P79 HydrophobicContact CD1-CB 4.38Å; F76-P79 HydrophobicContact CG-CB 4.37Å; F76-P79 HydrophobicContact CG-CG 4.28Å; P79-V92 HydrophobicContact CB-CG1 3.61Å; P79-A93 WeakPolarHBondContact CA-O 3.5Å; P79-C303 PolarHBondContact O-SG 3.15Å; P79-C303 VanDerWaalsContact O-SG 3.4Å
80H94Very high96.3Very high52 Ų5249.3 Ų49.324%0.24128%0.277CS..EExtended strand (participates in β ladder)trans-87.8-11.7-171.3-79.9-84.1000115.6S78 A93 T95 R127S78-H80 PolarHBondContact O-CD2 3.3Å; S78-H80 PolarHBondContact O-N 2.89Å; H80-A93 PolarHBondContact N-O 2.87Å; H80-T95 WeakPolarHBondContact CB-OG1 3.43Å; H80-T95 PolarHBondContact CD2-OG1 3.45Å; H80-T95 PolarHBondContact N-OG1 3.33Å; H80-R127 CarbonylContact C-O 3.57Å
81G95Very high96.3Very high2 Ų248.4 Ų48.42%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-154.2148.4-179.300000111.8A93 R127G81-A93 PolarHBondContact O-N 3.47Å; G81-R127 WeakPolarHBondContact CA-O 3.37Å; G81-R127 PolarHBondContact N-O 2.86Å
82F97.7Very high96.3Very high66 Ų6644.2 Ų44.229%0.28924%0.242SC..EExtended strand (participates in β ladder)trans-149.4162.1173.577.9-77.6000110.6I90 I91 V92 K306F82-I90 HydrophobicContact CD2-CG2 4.38Å; F82-I91 CarbonylContact C-O 3.55Å; F82-I91 WeakPolarHBondContact CA-O 3.4Å; F82-I91 VanDerWaalsContact CB-O 3.27Å; F82-I91 WeakPolarHBondContact CB-O 3.42Å; F82-V92 HydrophobicContact CB-CG2 4.22Å; F82-K306 HydrophobicContact CD2-CG 4.46Å; F82-K306 HydrophobicContact CE2-CB 3.95Å; F82-K306 HydrophobicContact CE2-CG 3.78Å; F82-K306 HydrophobicContact CZ-CB 4.4Å; F82-K306 HydrophobicContact CZ-CG 4.17Å
83C97.5Very high96.3Very high12 Ų1241.7 Ų41.78%0.08122%0.222CC..EExtended strand (participates in β ladder)trans-145.8173.7169.463.90000110.2I91 V129 A130C83-I91 PolarHBondContact N-O 2.9Å; C83-I91 PolarHBondContact O-N 3.09Å; C83-V129 WeakPolarHBondContact CB-O 3.36Å; C83-V129 PolarHBondContact SG-O 3.07Å; C83-A130 VanDerWaalsContact SG-CA 3.55Å
84L97Very high96.4Very high30 Ų3034.1 Ų34.116%0.15719%0.189CC..EExtended strand (participates in β ladder)trans-96.4142.5170.2-63.4179.4000110.7E89 I90 K306 I307 T308L84-E89 CarbonylContact C-O 3.58Å; L84-E89 VanDerWaalsContact CA-O 3.28Å; L84-E89 WeakPolarHBondContact CA-O 3.34Å; L84-I90 HydrophobicContact CD2-CG1 4.11Å; L84-K306 HydrophobicContact CD1-CB 3.79Å; L84-K306 HydrophobicContact CG-CB 3.8Å; L84-K306 HydrophobicContact CG-CG 4.31Å; L84-I307 WeakPolarHBondContact CD1-O 3.31Å; L84-T308 HydrophobicContact CD1-CG2 3.85Å
85G95.8Very high96.5Very high5 Ų533.3 Ų33.35%0.05218%0.18CC..  trans-82.9-175.7172.600000112.9D87 E88 E89 I91G85-D87 VanDerWaalsContact C-N 3.31Å; G85-D87 PolarHBondContact O-N 2.88Å; G85-E88 PolarHBondContact O-N 3.47Å; G85-E89 PolarHBondContact N-O 2.87Å; G85-I91 VanDerWaalsContact N-CD1 3.34Å
86V90.9Very high96.4Very high73 Ų7333.4 Ų33.444%0.44218%0.183SC..THydrogen-bonded Turntrans-64.4-38.4179.4-178.90000111.4E88 V131V86-E88 VanDerWaalsContact C-N 3.34Å; V86-V131 HydrophobicContact CG2-CG1 4.24Å
87D91.9Very high96.5Very high120 Ų12033.7 Ų33.764%0.64219%0.185SC*.THydrogen-bonded Turntrans-99.428.9178.6-60-38.5000111.9G85 E89G85-D87 VanDerWaalsContact C-N 3.31Å; G85-D87 PolarHBondContact O-N 2.88Å; D87-E89 HydrophobicContact CB-CG 4.42Å; D87-E89 PolarHBondContact O-N 3.1Å; D87-E89 VanDerWaalsContact O-N 3.13Å
88E94.8Very high96.5Very high29 Ų2932.4 Ų32.414%0.13618%0.177CC..SBendtrans57.825-176.3-50.1-176.6145.800114.3G85 V86 K105 T308 S309G85-E88 PolarHBondContact O-N 3.47Å; V86-E88 VanDerWaalsContact C-N 3.34Å; E88-K105 HydrophobicContact CB-CB 4.33Å; E88-T308 HydrophobicContact CB-CG2 4.41Å; E88-T308 WeakPolarHBondContact OE1-CB 3.42Å; E88-S309 WeakPolarHBondContact OE1-CA 3.44Å; E88-S309 WeakPolarHBondContact OE1-CB 3.43Å; E88-S309 PolarHBondContact OE1-N 3.17Å; E88-S309 PolarHBondContact OE1-OG 3.27Å
89E97.2Very high96.7Very high32 Ų3231 Ų3115%0.1516%0.164CC..  trans-58.9144.8167.7-62.2157.7116.700109.3L84 G85 D87 I91 V102 F103 K110L84-E89 CarbonylContact C-O 3.58Å; L84-E89 VanDerWaalsContact CA-O 3.28Å; L84-E89 WeakPolarHBondContact CA-O 3.34Å; G85-E89 PolarHBondContact N-O 2.87Å; D87-E89 HydrophobicContact CB-CG 4.42Å; D87-E89 PolarHBondContact O-N 3.1Å; D87-E89 VanDerWaalsContact O-N 3.13Å; E89-I91 HydrophobicContact CB-CD1 3.83Å; E89-I91 WeakPolarHBondContact O-CD1 3.39Å; E89-V102 HydrophobicContact CB-CG1 4.18Å; E89-F103 CarbonylContact C-O 3.56Å; E89-F103 WeakPolarHBondContact CA-O 3.33Å; E89-F103 WeakPolarHBondContact CB-O 3.31Å; E89-K110 HydrophobicContact CG-CD 4.23Å; E89-K110 IonicContact OE1-NZ 3.62Å; E89-K110 PolarHBondContact OE1-NZ 2.81Å
90I97.9Very high96.8Very high33 Ų3328.5 Ų28.517%0.16915%0.148CC..EExtended strand (participates in β ladder)trans-98.2111.8177.2-55168.7000107.3F66 F82 L84 V92 F103F66-I90 HydrophobicContact CE1-CD1 3.83Å; F66-I90 HydrophobicContact CZ-CD1 3.86Å; F66-I90 HydrophobicContact CZ-CG2 4.29Å; F82-I90 HydrophobicContact CD2-CG2 4.38Å; L84-I90 HydrophobicContact CD2-CG1 4.11Å; I90-V92 HydrophobicContact CG2-CG2 3.96Å; I90-F103 HydrophobicContact CB-CB 4.29Å; I90-F103 PolarHBondContact N-O 2.92Å; I90-F103 PolarHBondContact O-N 3.16Å
91I98.5Very high97.1Very high0 Ų026 Ų260%014%0.137CC..EExtended strand (participates in β ladder)trans-102.4120.4-179.6-60.165.3000107.8F82 C83 G85 E89 I100 V102 V129 V131 F138F82-I91 CarbonylContact C-O 3.55Å; F82-I91 WeakPolarHBondContact CA-O 3.4Å; F82-I91 VanDerWaalsContact CB-O 3.27Å; F82-I91 WeakPolarHBondContact CB-O 3.42Å; C83-I91 PolarHBondContact N-O 2.9Å; C83-I91 PolarHBondContact O-N 3.09Å; G85-I91 VanDerWaalsContact N-CD1 3.34Å; E89-I91 HydrophobicContact CB-CD1 3.83Å; E89-I91 WeakPolarHBondContact O-CD1 3.39Å; I91-I100 HydrophobicContact CG2-CG2 3.43Å; I91-I100 VanDerWaalsContact CG2-CG2 3.43Å; I91-V102 HydrophobicContact CG1-CG1 4.31Å; I91-V102 HydrophobicContact CG1-CG2 4.28Å; I91-V102 HydrophobicContact CG2-CG2 4.39Å; I91-V129 HydrophobicContact CG2-CB 4.38Å; I91-V129 HydrophobicContact CG2-CG1 3.93Å; I91-V129 HydrophobicContact CG2-CG2 3.57Å; I91-V131 HydrophobicContact CD1-CG2 3.95Å; I91-V131 HydrophobicContact CG1-CG2 3.94Å; I91-F138 HydrophobicContact CG1-CD1 4.15Å; I91-F138 HydrophobicContact CG1-CE1 3.64Å; I91-F138 HydrophobicContact CG2-CD1 4.19Å; I91-F138 HydrophobicContact CG2-CE1 4.31Å
92V98.6Very high97.2Very high11 Ų1126 Ų267%0.06714%0.136CC..EExtended strand (participates in β ladder)trans-117.7129-174.2-175.50000110.4F76 P79 F82 I90 D94 I100 E101 F103F76-V92 HydrophobicContact CD1-CG1 4.25Å; F76-V92 HydrophobicContact CE1-CB 4.14Å; F76-V92 HydrophobicContact CE1-CG1 3.88Å; F76-V92 HydrophobicContact CE1-CG2 4.46Å; F76-V92 HydrophobicContact CZ-CG1 4.48Å; F76-V92 HydrophobicContact CZ-CG2 4.47Å; P79-V92 HydrophobicContact CB-CG1 3.61Å; F82-V92 HydrophobicContact CB-CG2 4.22Å; I90-V92 HydrophobicContact CG2-CG2 3.96Å; V92-D94 PolarHBondContact O-N 2.83Å; V92-I100 VanDerWaalsContact O-CA 3.32Å; V92-I100 WeakPolarHBondContact O-CA 3.49Å; V92-E101 PolarHBondContact N-O 3.08Å; V92-E101 PolarHBondContact O-N 2.99Å; V92-F103 HydrophobicContact CG2-CD2 4.23Å; V92-F103 HydrophobicContact CG2-CE2 4.14Å
93A98.4Very high97.3Very high0 Ų023 Ų230%012%0.123CC..EExtended strand (participates in β ladder)trans-82.4103.5166.800000109.8P79 H80 G81 T95 I100 P126 V129P79-A93 WeakPolarHBondContact CA-O 3.5Å; H80-A93 PolarHBondContact N-O 2.87Å; G81-A93 PolarHBondContact O-N 3.47Å; A93-T95 PolarHBondContact O-N 2.83Å; A93-I100 HydrophobicContact CB-CD1 3.87Å; A93-P126 HydrophobicContact CB-CB 4.2Å; A93-V129 HydrophobicContact CB-CG1 4.14Å
94D98.3Very high97.2Very high0 Ų025 Ų250%013%0.133CC..EExtended strand (participates in β ladder)trans-90.484.8-179.1-17413.8000109.9F76 N77 V92 N96 N97 H98 R99F76-D94 WeakPolarHBondContact CA-OD1 3.13Å; F76-D94 HydrophobicContact CD1-CB 4.22Å; N77-D94 PolarHBondContact N-OD1 3.28Å; V92-D94 PolarHBondContact O-N 2.83Å; D94-N96 PolarHBondContact O-N 2.81Å; D94-N97 HydrophobicContact CB-CB 4.45Å; D94-N97 CarbonylContact O-C 3.54Å; D94-N97 PolarHBondContact O-N 2.82Å; D94-N97 WeakPolarHBondContact OD2-CB 3.33Å; D94-N97 PolarHBondContact OD2-ND2 3.02Å; D94-H98 PolarHBondContact O-N 2.83Å; D94-H98 VanDerWaalsContact O-N 3.08Å; D94-R99 HydrophobicContact CB-CG 3.89Å; D94-R99 PolarHBondContact N-O 2.94Å; D94-R99 PolarHBondContact O-N 2.84Å; D94-R99 IonicContact OD2-CZ 3.6Å; D94-R99 IonicContact OD2-NE 2.63Å; D94-R99 PolarHBondContact OD2-NE 2.78Å; D94-R99 VanDerWaalsContact OD2-NE 3.09Å; D94-R99 IonicContact OD2-NH2 2.64Å; D94-R99 PolarHBondContact OD2-NH2 2.62Å
95T97.9Very high97Very high2 Ų229.2 Ų29.21%0.01215%0.15CC..G310 helixtrans-61-52.4-157.1-54.40000113.4S78 H80 A93 N97 H98 Y125 P126 R127S78-T95 WeakPolarHBondContact O-CB 3.37Å; S78-T95 PolarHBondContact O-N 2.86Å; S78-T95 PolarHBondContact O-OG1 3.17Å; S78-T95 VanDerWaalsContact O-OG1 3.08Å; H80-T95 WeakPolarHBondContact CB-OG1 3.43Å; H80-T95 PolarHBondContact CD2-OG1 3.45Å; H80-T95 PolarHBondContact N-OG1 3.33Å; A93-T95 PolarHBondContact O-N 2.83Å; T95-N97 VanDerWaalsContact C-N 3.26Å; T95-N97 PolarHBondContact O-N 2.83Å; T95-H98 PolarHBondContact O-N 2.92Å; T95-H98 VanDerWaalsContact O-N 3.15Å; T95-Y125 HydrophobicContact CG2-CD1 4.15Å; T95-Y125 WeakPolarHBondContact O-CA 3.42Å; T95-P126 WeakPolarHBondContact CA-O 3.49Å; T95-P126 VanDerWaalsContact CB-O 3.28Å; T95-P126 WeakPolarHBondContact CB-O 3.43Å; T95-P126 WeakPolarHBondContact CG2-O 3.17Å; T95-P126 PolarHBondContact OG1-O 2.83Å; T95-R127 HydrophobicContact CG2-CG 4.41Å
96N97.9Very high96.8Very high61 Ų6135.2 Ų35.233%0.32618%0.178SC..G310 helixtrans-79.7-10.7-176.6-70.7-19.5000113.1N77 S78 D94 H98N77-N96 HydrophobicContact CB-CB 3.84Å; N77-N96 VanDerWaalsContact O-CB 3.31Å; N77-N96 WeakPolarHBondContact O-CB 3.25Å; N77-N96 PolarHBondContact O-N 2.78Å; N77-N96 WeakPolarHBondContact OD1-CB 3.38Å; N77-N96 PolarHBondContact OD1-ND2 3.26Å; N77-N96 VanDerWaalsContact OD1-ND2 3.17Å; S78-N96 PolarHBondContact OG-ND2 2.94Å; D94-N96 PolarHBondContact O-N 2.81Å; N96-H98 PolarHBondContact O-CD2 2.85Å; N96-H98 VanDerWaalsContact O-CD2 3.22Å
97N98.6Very high97Very high28 Ų2832.3 Ų32.315%0.1516%0.163CC..G310 helixtrans-93.71.1169.4-70-23.4000112.4G70 T71 N77 D94 T95 R99G70-N97 PolarHBondContact O-ND2 2.84Å; T71-N97 WeakPolarHBondContact CG2-OD1 3.21Å; N77-N97 WeakPolarHBondContact CB-OD1 3.41Å; N77-N97 PolarHBondContact N-ND2 2.87Å; D94-N97 HydrophobicContact CB-CB 4.45Å; D94-N97 CarbonylContact O-C 3.54Å; D94-N97 PolarHBondContact O-N 2.82Å; D94-N97 WeakPolarHBondContact OD2-CB 3.33Å; D94-N97 PolarHBondContact OD2-ND2 3.02Å; T95-N97 VanDerWaalsContact C-N 3.26Å; T95-N97 PolarHBondContact O-N 2.83Å; N97-R99 VanDerWaalsContact C-N 3.27Å; N97-R99 HydrophobicContact CB-CG 4.03Å; N97-R99 PolarHBondContact O-N 3.02Å
98H98.4Very high97.3Very high22 Ų2229 Ų2910%0.10215%0.153CC..THydrogen-bonded Turntrans56.238.8174.1-53.6-96.8000113.5D94 T95 N96 A116 L123 W124 Y125D94-H98 PolarHBondContact O-N 2.83Å; D94-H98 VanDerWaalsContact O-N 3.08Å; T95-H98 PolarHBondContact O-N 2.92Å; T95-H98 VanDerWaalsContact O-N 3.15Å; N96-H98 PolarHBondContact O-CD2 2.85Å; N96-H98 VanDerWaalsContact O-CD2 3.22Å; H98-A116 HydrophobicContact CB-CB 3.73Å; H98-L123 WeakPolarHBondContact O-CB 3.38Å; H98-W124 AromaticContact CE1-CD2 3.8Å; H98-W124 AromaticContact CE1-CE3 3.39Å; H98-W124 AromaticContact CE1-CH2 3.88Å; H98-W124 AromaticContact CE1-CZ3 3.43Å; H98-W124 VanDerWaalsContact CE1-CZ3 3.43Å; H98-W124 WeakPolarHBondContact CE1-CZ3 3.45Å; H98-W124 AromaticContact ND1-CD2 3.86Å; H98-W124 AromaticContact ND1-CE3 3.34Å; H98-W124 VanDerWaalsContact ND1-CE3 3.34Å; H98-W124 AromaticContact ND1-CZ3 3.77Å; H98-Y125 AromaticContact CE1-CD1 3.8Å; H98-Y125 AromaticContact CE1-CD2 3.82Å; H98-Y125 AromaticContact CE1-CE1 3.62Å; H98-Y125 AromaticContact CE1-CE2 3.65Å; H98-Y125 AromaticContact CE1-CG 3.91Å; H98-Y125 AromaticContact CE1-CZ 3.54Å; H98-Y125 PolarHBondContact ND1-N 2.93Å; H98-Y125 VanDerWaalsContact ND1-N 3.19Å; H98-Y125 AromaticContact NE2-CE1 3.84Å; H98-Y125 AromaticContact NE2-CZ 3.94Å
99R98.7Very high97.4Very high21 Ų2130.4 Ų30.48%0.07916%0.161CC..EExtended strand (participates in β ladder)trans-144.1166.2-175.569.6-177.1-178.2-1625.6112.5T71 A72 Q75 D94 N97 E101 F113T71-R99 PolarHBondContact O-NH1 2.92Å; T71-R99 PolarHBondContact O-NH2 3.35Å; A72-R99 PolarHBondContact O-NH2 2.9Å; Q75-R99 PolarHBondContact O-NH2 3.2Å; D94-R99 HydrophobicContact CB-CG 3.89Å; D94-R99 PolarHBondContact N-O 2.94Å; D94-R99 PolarHBondContact O-N 2.84Å; D94-R99 IonicContact OD2-CZ 3.6Å; D94-R99 IonicContact OD2-NE 2.63Å; D94-R99 PolarHBondContact OD2-NE 2.78Å; D94-R99 VanDerWaalsContact OD2-NE 3.09Å; D94-R99 IonicContact OD2-NH2 2.64Å; D94-R99 PolarHBondContact OD2-NH2 2.62Å; N97-R99 VanDerWaalsContact C-N 3.27Å; N97-R99 HydrophobicContact CB-CG 4.03Å; N97-R99 PolarHBondContact O-N 3.02Å; R99-E101 HydrophobicContact CG-CG 4.43Å; R99-E101 IonicContact CZ-OE1 3.09Å; R99-E101 IonicContact NE-OE1 3.45Å; R99-E101 PolarHBondContact NE-OE1 3.4Å; R99-E101 IonicContact NH2-OE1 3.63Å; R99-E101 PolarHBondContact NH2-OE1 3.22Å; R99-F113 WeakPolarHBondContact CA-O 3.37Å; R99-F113 WeakPolarHBondContact CB-O 3.42Å
100I98.8Very high97.5Very high0 Ų034 Ų340%018%0.176CC..EExtended strand (participates in β ladder)trans-109.3135.5165.8-55-55.7000108.2I91 V92 A93 V102 Q112 F113 L123 P126 V129 V140I91-I100 HydrophobicContact CG2-CG2 3.43Å; I91-I100 VanDerWaalsContact CG2-CG2 3.43Å; V92-I100 VanDerWaalsContact O-CA 3.32Å; V92-I100 WeakPolarHBondContact O-CA 3.49Å; A93-I100 HydrophobicContact CB-CD1 3.87Å; I100-V102 HydrophobicContact CG2-CG2 4.48Å; I100-Q112 CarbonylContact O-C 3.19Å; I100-Q112 VanDerWaalsContact O-CA 3.22Å; I100-Q112 WeakPolarHBondContact O-CA 3.33Å; I100-Q112 WeakPolarHBondContact O-CB 3.44Å; I100-F113 HydrophobicContact CB-CD1 4.09Å; I100-F113 HydrophobicContact CB-CD2 4.41Å; I100-F113 HydrophobicContact CB-CE1 3.61Å; I100-F113 HydrophobicContact CB-CE2 3.95Å; I100-F113 HydrophobicContact CB-CG 4.48Å; I100-F113 HydrophobicContact CB-CZ 3.53Å; I100-F113 HydrophobicContact CG1-CE1 4.28Å; I100-F113 HydrophobicContact CG1-CE2 3.79Å; I100-F113 HydrophobicContact CG1-CZ 3.67Å; I100-F113 HydrophobicContact CG2-CD1 4.39Å; I100-F113 HydrophobicContact CG2-CE1 3.58Å; I100-F113 HydrophobicContact CG2-CZ 3.7Å; I100-F113 PolarHBondContact N-O 2.82Å; I100-F113 PolarHBondContact O-N 3.42Å; I100-L123 HydrophobicContact CD1-CD1 4.37Å; I100-L123 HydrophobicContact CG1-CD1 3.84Å; I100-P126 HydrophobicContact CD1-CB 4.02Å; I100-P126 HydrophobicContact CD1-CG 4.31Å; I100-V129 HydrophobicContact CD1-CB 4.41Å; I100-V140 HydrophobicContact CD1-CG1 3.92Å; I100-V140 HydrophobicContact CD1-CG2 4.11Å; I100-V140 HydrophobicContact CG1-CG1 4.36Å; I100-V140 HydrophobicContact CG1-CG2 3.91Å
101E98.7Very high97.5Very high0 Ų035.3 Ų35.30%018%0.18CC..EExtended strand (participates in β ladder)trans-114.7138.4171.3-67.4-162.5-132.800110.6G74 F76 V92 R99 F103 L109 Q112G74-E101 VanDerWaalsContact CA-OE2 3.26Å; G74-E101 WeakPolarHBondContact CA-OE2 3.36Å; G74-E101 PolarHBondContact N-OE2 2.97Å; F76-E101 HydrophobicContact CE1-CB 4.34Å; V92-E101 PolarHBondContact N-O 3.08Å; V92-E101 PolarHBondContact O-N 2.99Å; R99-E101 HydrophobicContact CG-CG 4.43Å; R99-E101 IonicContact CZ-OE1 3.09Å; R99-E101 IonicContact NE-OE1 3.45Å; R99-E101 PolarHBondContact NE-OE1 3.4Å; R99-E101 IonicContact NH2-OE1 3.63Å; R99-E101 PolarHBondContact NH2-OE1 3.22Å; E101-F103 HydrophobicContact CB-CD2 4.39Å; E101-F103 HydrophobicContact CB-CE2 3.45Å; E101-F103 VanDerWaalsContact CB-CE2 3.45Å; E101-F103 HydrophobicContact CB-CZ 3.84Å; E101-F103 WeakPolarHBondContact OE2-CZ 3.37Å; E101-L109 HydrophobicContact CB-CD1 4.13Å; E101-L109 HydrophobicContact CG-CD1 4.48Å; E101-L109 VanDerWaalsContact OE2-CD1 3.32Å; E101-L109 WeakPolarHBondContact OE2-CD1 3.29Å; E101-Q112 HydrophobicContact CG-CB 3.9Å
102V98.6Very high97.5Very high0 Ų038.5 Ų38.50%020%0.195CC..EExtended strand (participates in β ladder)trans-118.8122-178.5-1750000109E89 I91 I100 K110 F111 F113 F138E89-V102 HydrophobicContact CB-CG1 4.18Å; I91-V102 HydrophobicContact CG1-CG1 4.31Å; I91-V102 HydrophobicContact CG1-CG2 4.28Å; I91-V102 HydrophobicContact CG2-CG2 4.39Å; I100-V102 HydrophobicContact CG2-CG2 4.48Å; V102-K110 WeakPolarHBondContact O-CB 3.49Å; V102-K110 PolarHBondContact O-N 2.75Å; V102-F111 HydrophobicContact CB-CD1 4.02Å; V102-F111 HydrophobicContact CB-CE1 3.72Å; V102-F111 HydrophobicContact CB-CE2 4.45Å; V102-F111 HydrophobicContact CB-CG 4.49Å; V102-F111 HydrophobicContact CB-CZ 3.97Å; V102-F111 HydrophobicContact CG1-CD1 4.37Å; V102-F111 HydrophobicContact CG1-CE1 3.78Å; V102-F111 HydrophobicContact CG1-CZ 4.22Å; V102-F111 HydrophobicContact CG2-CD1 4.47Å; V102-F111 HydrophobicContact CG2-CD2 4.43Å; V102-F111 HydrophobicContact CG2-CE1 3.92Å; V102-F111 HydrophobicContact CG2-CE2 3.88Å; V102-F111 HydrophobicContact CG2-CZ 3.6Å; V102-F111 PolarHBondContact N-O 3.45Å; V102-F111 PolarHBondContact O-N 2.8Å; V102-F113 HydrophobicContact CG2-CE1 4.33Å; V102-F138 HydrophobicContact CG2-CE1 4.47Å; V102-F138 HydrophobicContact CG2-CZ 4.21Å
103F98.4Very high97.5Very high4 Ų438.9 Ų38.92%0.01820%0.196CC..EExtended strand (participates in β ladder)trans-113.6155.8179.1-56.5-98000110.1F66 F76 E89 I90 V92 E101 G107 A108 L109F66-F103 AromaticContact CD2-CD1 3.94Å; F66-F103 HydrophobicContact CD2-CD1 3.94Å; F66-F103 AromaticContact CD2-CE1 3.94Å; F66-F103 HydrophobicContact CD2-CE1 3.94Å; F66-F103 HydrophobicContact CD2-CG 4.4Å; F66-F103 HydrophobicContact CD2-CZ 4.41Å; F66-F103 HydrophobicContact CE2-CB 4.32Å; F66-F103 AromaticContact CE2-CD1 3.63Å; F66-F103 HydrophobicContact CE2-CD1 3.63Å; F66-F103 AromaticContact CE2-CD2 3.82Å; F66-F103 HydrophobicContact CE2-CD2 3.82Å; F66-F103 AromaticContact CE2-CE1 3.84Å; F66-F103 HydrophobicContact CE2-CE1 3.84Å; F66-F103 HydrophobicContact CE2-CE2 4.02Å; F66-F103 AromaticContact CE2-CG 3.64Å; F66-F103 HydrophobicContact CE2-CG 3.64Å; F66-F103 HydrophobicContact CE2-CZ 4.05Å; F66-F103 HydrophobicContact CZ-CB 4.36Å; F66-F103 HydrophobicContact CZ-CD1 4.44Å; F66-F103 HydrophobicContact CZ-CD2 4.36Å; F66-F103 HydrophobicContact CZ-CG 4.14Å; F76-F103 AromaticContact CE1-CE2 3.76Å; F76-F103 HydrophobicContact CE1-CE2 3.76Å; F76-F103 AromaticContact CE1-CZ 3.74Å; F76-F103 HydrophobicContact CE1-CZ 3.74Å; F76-F103 HydrophobicContact CE2-CZ 4.37Å; F76-F103 HydrophobicContact CZ-CE1 4.3Å; F76-F103 AromaticContact CZ-CE2 3.5Å; F76-F103 HydrophobicContact CZ-CE2 3.5Å; F76-F103 VanDerWaalsContact CZ-CE2 3.5Å; F76-F103 AromaticContact CZ-CZ 3.32Å; F76-F103 HydrophobicContact CZ-CZ 3.32Å; E89-F103 CarbonylContact C-O 3.56Å; E89-F103 WeakPolarHBondContact CA-O 3.33Å; E89-F103 WeakPolarHBondContact CB-O 3.31Å; I90-F103 HydrophobicContact CB-CB 4.29Å; I90-F103 PolarHBondContact N-O 2.92Å; I90-F103 PolarHBondContact O-N 3.16Å; V92-F103 HydrophobicContact CG2-CD2 4.23Å; V92-F103 HydrophobicContact CG2-CE2 4.14Å; E101-F103 HydrophobicContact CB-CD2 4.39Å; E101-F103 HydrophobicContact CB-CE2 3.45Å; E101-F103 VanDerWaalsContact CB-CE2 3.45Å; E101-F103 HydrophobicContact CB-CZ 3.84Å; E101-F103 WeakPolarHBondContact OE2-CZ 3.37Å; F103-G107 WeakPolarHBondContact CD1-O 3.47Å; F103-A108 CarbonylContact C-O 3.29Å; F103-A108 VanDerWaalsContact CA-O 3.22Å; F103-A108 WeakPolarHBondContact CA-O 3.34Å; F103-L109 HydrophobicContact CD1-CB 3.99Å; F103-L109 HydrophobicContact CD1-CD1 4.12Å; F103-L109 HydrophobicContact CE1-CB 3.84Å; F103-L109 HydrophobicContact CE1-CD1 3.69Å; F103-L109 HydrophobicContact CE1-CG 4.37Å; F103-L109 HydrophobicContact CE2-CD1 4.27Å; F103-L109 HydrophobicContact CZ-CD1 3.75Å
104D96.3Very high97.5Very high54 Ų5440.4 Ų40.429%0.28921%0.211SC..  trans-71.3172.5162.67217.4000111M106 G107 A108 K110D104-M106 PolarHBondContact O-N 2.77Å; D104-M106 VanDerWaalsContact O-N 3.08Å; D104-M106 VanDerWaalsContact OD1-CA 3.31Å; D104-M106 WeakPolarHBondContact OD1-CA 3.41Å; D104-M106 WeakPolarHBondContact OD1-CB 3.12Å; D104-M106 PolarHBondContact OD1-N 2.95Å; D104-G107 PolarHBondContact O-N 3.26Å; D104-G107 PolarHBondContact OD1-N 2.57Å; D104-A108 PolarHBondContact N-O 3.19Å; D104-A108 PolarHBondContact OD1-N 2.7Å; D104-A108 WeakPolarHBondContact OD2-CB 3.38Å; D104-K110 HydrophobicContact CB-CD 4.21Å; D104-K110 HydrophobicContact CB-CG 4.34Å
105K93.2Very high97.4Very high118 Ų11845 Ų4551%0.51324%0.239SC..THydrogen-bonded Turntrans-61.7-15.7179.166.4175.2-173.8178.20114.8E88E88-K105 HydrophobicContact CB-CB 4.33Å
106M91.9Very high97.4Very high132 Ų13247.5 Ų47.565%0.6526%0.26SS*.THydrogen-bonded Turntrans-94.6-3.4177.2-61.8-70.486.700112.6C64 D104C64-M106 PolarHBondContact SG-O 3.41Å; C64-M106 VanDerWaalsContact SG-O 3.36Å; D104-M106 PolarHBondContact O-N 2.77Å; D104-M106 VanDerWaalsContact O-N 3.08Å; D104-M106 VanDerWaalsContact OD1-CA 3.31Å; D104-M106 WeakPolarHBondContact OD1-CA 3.41Å; D104-M106 WeakPolarHBondContact OD1-CB 3.12Å; D104-M106 PolarHBondContact OD1-N 2.95Å
107G94.8Very high97.4Very high12 Ų1245.1 Ų45.112%0.12425%0.25CS..SBendtrans88.913.1179.200000114.2F103 D104F103-G107 WeakPolarHBondContact CD1-O 3.47Å; D104-G107 PolarHBondContact O-N 3.26Å; D104-G107 PolarHBondContact OD1-N 2.57Å
108A96.6Very high97.2Very high51 Ų5147.6 Ų47.642%0.42126%0.26SS..  trans-80.7129.5172.400000110.1F103 D104 K110F103-A108 CarbonylContact C-O 3.29Å; F103-A108 VanDerWaalsContact CA-O 3.22Å; F103-A108 WeakPolarHBondContact CA-O 3.34Å; D104-A108 PolarHBondContact N-O 3.19Å; D104-A108 PolarHBondContact OD1-N 2.7Å; D104-A108 WeakPolarHBondContact OD2-CB 3.38Å; A108-K110 PolarHBondContact O-N 3.42Å
109L98.1Very high97Very high58 Ų5853 Ų5330%0.30429%0.285SS..EExtended strand (participates in β ladder)trans-65.6124.2179.6-179.170.4000110.5K73 E101 F103K73-L109 HydrophobicContact CB-CD2 3.63Å; K73-L109 HydrophobicContact CD-CD2 4.42Å; K73-L109 HydrophobicContact CG-CD2 4.27Å; E101-L109 HydrophobicContact CB-CD1 4.13Å; E101-L109 HydrophobicContact CG-CD1 4.48Å; E101-L109 VanDerWaalsContact OE2-CD1 3.32Å; E101-L109 WeakPolarHBondContact OE2-CD1 3.29Å; F103-L109 HydrophobicContact CD1-CB 3.99Å; F103-L109 HydrophobicContact CD1-CD1 4.12Å; F103-L109 HydrophobicContact CE1-CB 3.84Å; F103-L109 HydrophobicContact CE1-CD1 3.69Å; F103-L109 HydrophobicContact CE1-CG 4.37Å; F103-L109 HydrophobicContact CE2-CD1 4.27Å; F103-L109 HydrophobicContact CZ-CD1 3.75Å
110K98.1Very high96.8Very high108 Ų10858.3 Ų58.347%0.4731%0.311SS..EExtended strand (participates in β ladder)trans-88.9-57.6173.4-60.2-178.770.4175.40110.4E89 V102 D104 A108E89-K110 HydrophobicContact CG-CD 4.23Å; E89-K110 IonicContact OE1-NZ 3.62Å; E89-K110 PolarHBondContact OE1-NZ 2.81Å; V102-K110 WeakPolarHBondContact O-CB 3.49Å; V102-K110 PolarHBondContact O-N 2.75Å; D104-K110 HydrophobicContact CB-CD 4.21Å; D104-K110 HydrophobicContact CB-CG 4.34Å; A108-K110 PolarHBondContact O-N 3.42Å
111F98.4Very high96.7Very high59 Ų5959.2 Ų59.226%0.25932%0.32SS..EExtended strand (participates in β ladder)trans-161.5173.2179.367.5-80.6000111.2V102 F113 F138 K155V102-F111 HydrophobicContact CB-CD1 4.02Å; V102-F111 HydrophobicContact CB-CE1 3.72Å; V102-F111 HydrophobicContact CB-CE2 4.45Å; V102-F111 HydrophobicContact CB-CG 4.49Å; V102-F111 HydrophobicContact CB-CZ 3.97Å; V102-F111 HydrophobicContact CG1-CD1 4.37Å; V102-F111 HydrophobicContact CG1-CE1 3.78Å; V102-F111 HydrophobicContact CG1-CZ 4.22Å; V102-F111 HydrophobicContact CG2-CD1 4.47Å; V102-F111 HydrophobicContact CG2-CD2 4.43Å; V102-F111 HydrophobicContact CG2-CE1 3.92Å; V102-F111 HydrophobicContact CG2-CE2 3.88Å; V102-F111 HydrophobicContact CG2-CZ 3.6Å; V102-F111 PolarHBondContact N-O 3.45Å; V102-F111 PolarHBondContact O-N 2.8Å; F111-F113 HydrophobicContact CD2-CD1 4.24Å; F111-F113 AromaticContact CE2-CD1 3.77Å; F111-F113 HydrophobicContact CE2-CD1 3.77Å; F111-F113 HydrophobicContact CE2-CE1 4.2Å; F111-F138 HydrophobicContact CE2-CE2 4.46Å; F111-F138 HydrophobicContact CZ-CE2 4.14Å; F111-F138 AromaticContact CZ-CZ 4Å; F111-F138 HydrophobicContact CZ-CZ 4Å; F111-K155 WeakPolarHBondContact CZ-O 3.4Å
112Q98.5Very high96.6Very high68 Ų6861.9 Ų61.932%0.31833%0.333SS..EExtended strand (participates in β ladder)trans-139.6154.9173.768.8-178.542.500109.6I100 E101I100-Q112 CarbonylContact O-C 3.19Å; I100-Q112 VanDerWaalsContact O-CA 3.22Å; I100-Q112 WeakPolarHBondContact O-CA 3.33Å; I100-Q112 WeakPolarHBondContact O-CB 3.44Å; E101-Q112 HydrophobicContact CG-CB 3.9Å
113F98.8Very high96.6Very high19 Ų1961.9 Ų61.98%0.08333%0.333CS..EExtended strand (participates in β ladder)trans-147.7163.8174.766.4-86.8000111.4R99 I100 V102 F111 F138 V140 F153 G157R99-F113 WeakPolarHBondContact CA-O 3.37Å; R99-F113 WeakPolarHBondContact CB-O 3.42Å; I100-F113 HydrophobicContact CB-CD1 4.09Å; I100-F113 HydrophobicContact CB-CD2 4.41Å; I100-F113 HydrophobicContact CB-CE1 3.61Å; I100-F113 HydrophobicContact CB-CE2 3.95Å; I100-F113 HydrophobicContact CB-CG 4.48Å; I100-F113 HydrophobicContact CB-CZ 3.53Å; I100-F113 HydrophobicContact CG1-CE1 4.28Å; I100-F113 HydrophobicContact CG1-CE2 3.79Å; I100-F113 HydrophobicContact CG1-CZ 3.67Å; I100-F113 HydrophobicContact CG2-CD1 4.39Å; I100-F113 HydrophobicContact CG2-CE1 3.58Å; I100-F113 HydrophobicContact CG2-CZ 3.7Å; I100-F113 PolarHBondContact N-O 2.82Å; I100-F113 PolarHBondContact O-N 3.42Å; V102-F113 HydrophobicContact CG2-CE1 4.33Å; F111-F113 HydrophobicContact CD2-CD1 4.24Å; F111-F113 AromaticContact CE2-CD1 3.77Å; F111-F113 HydrophobicContact CE2-CD1 3.77Å; F111-F113 HydrophobicContact CE2-CE1 4.2Å; F113-F138 AromaticContact CE1-CD2 3.75Å; F113-F138 HydrophobicContact CE1-CD2 3.75Å; F113-F138 AromaticContact CE1-CE2 3.83Å; F113-F138 HydrophobicContact CE1-CE2 3.83Å; F113-F138 HydrophobicContact CE1-CG 4.29Å; F113-F138 HydrophobicContact CE1-CZ 4.46Å; F113-F138 HydrophobicContact CZ-CB 4.18Å; F113-F138 AromaticContact CZ-CD2 3.59Å; F113-F138 HydrophobicContact CZ-CD2 3.59Å; F113-F138 HydrophobicContact CZ-CE2 4.17Å; F113-F138 AromaticContact CZ-CG 3.92Å; F113-F138 HydrophobicContact CZ-CG 3.92Å; F113-V140 HydrophobicContact CE2-CG2 4.49Å; F113-F153 AromaticContact CD2-CD1 3.91Å; F113-F153 HydrophobicContact CD2-CD1 3.91Å; F113-F153 HydrophobicContact CD2-CE1 4.28Å; F113-F153 HydrophobicContact CD2-CG 4.23Å; F113-F153 HydrophobicContact CE2-CB 3.92Å; F113-F153 AromaticContact CE2-CD1 3.78Å; F113-F153 HydrophobicContact CE2-CD1 3.78Å; F113-F153 AromaticContact CE2-CD2 3.99Å; F113-F153 HydrophobicContact CE2-CD2 3.99Å; F113-F153 HydrophobicContact CE2-CE1 4.31Å; F113-F153 HydrophobicContact CE2-CE2 4.47Å; F113-F153 AromaticContact CE2-CG 3.63Å; F113-F153 HydrophobicContact CE2-CG 3.63Å; F113-F153 HydrophobicContact CZ-CB 4.32Å; F113-F153 HydrophobicContact CZ-CG 4.45Å; F113-G157 VanDerWaalsContact CG-CA 3.48Å
114G97.8Very high96.6Very high31 Ų3165 Ų6532%0.3234%0.344SS..  trans113.1140.2-174.700000112.3
115V97.2Very high96.7Very high96 Ų9665.8 Ų65.858%0.58234%0.344SS*.  trans-127.8134.9173.6177.10000106.6G117 Q122 L123V115-G117 PolarHBondContact O-N 3.12Å; V115-Q122 CarbonylContact O-C 3.57Å; V115-Q122 VanDerWaalsContact O-CA 3.3Å; V115-Q122 WeakPolarHBondContact O-CA 3.45Å; V115-Q122 VanDerWaalsContact O-CB 3.31Å; V115-Q122 WeakPolarHBondContact O-CB 3.16Å; V115-L123 PolarHBondContact O-N 2.97Å
116A98.1Very high96.9Very high55 Ų5560.1 Ų60.146%0.45532%0.319SS..BIsolated β-bridgetrans-59.9125.7-179.500000111.3H98 L123 W124H98-A116 HydrophobicContact CB-CB 3.73Å; A116-L123 CarbonylContact C-O 3.49Å; A116-L123 VanDerWaalsContact CA-O 3.3Å; A116-L123 WeakPolarHBondContact CA-O 3.26Å; A116-W124 HydrophobicContact CB-CZ3 4.36Å
117G96.8Very high97Very high12 Ų1258.6 Ų58.612%0.12431%0.306CS..SBendtrans151.9177.9171.400000113.3V115 Q122 L123 R149V115-G117 PolarHBondContact O-N 3.12Å; G117-Q122 VanDerWaalsContact C-CB 3.48Å; G117-Q122 CarbonylContact O-C 3.59Å; G117-Q122 VanDerWaalsContact O-CB 3.26Å; G117-Q122 WeakPolarHBondContact O-CB 3.24Å; G117-L123 PolarHBondContact N-O 2.88Å; G117-L123 CarbonylContact O-C 3.34Å; G117-R149 PolarHBondContact O-NH2 2.91Å
118K94.1Very high97.1Very high80 Ų8059.3 Ų59.335%0.34831%0.306SS..SBendtrans-108.80.1-170.5-66.9-169.2176.9179.50114.7Q122 W124 G144 N145 R149K118-Q122 VanDerWaalsContact N-OE1 3.17Å; K118-W124 VanDerWaalsContact CE-CD1 3.47Å; K118-W124 HydrophobicContact CG-CB 4.1Å; K118-W124 HydrophobicContact CG-CD2 4.4Å; K118-W124 HydrophobicContact CG-CG 3.93Å; K118-G144 PolarHBondContact NZ-O 2.85Å; K118-N145 WeakPolarHBondContact CD-OD1 3.22Å; K118-N145 PolarHBondContact NZ-OD1 2.98Å; K118-R149 VanDerWaalsContact CA-NH1 3.31Å; K118-R149 PolarHBondContact O-NH1 3.2Å
119E95.3Very high97.2Very high134 Ų13457.1 Ų57.163%0.62629%0.287SS*.SBendtrans-72.3169.6172.5-58.1-54.3138.200111.1G121 Q122 R149E119-G121 PolarHBondContact O-N 2.6Å; E119-Q122 HydrophobicContact CB-CG 4.27Å; E119-Q122 VanDerWaalsContact N-OE1 3.07Å; E119-Q122 WeakPolarHBondContact O-CB 3.35Å; E119-Q122 PolarHBondContact O-N 2.95Å; E119-R149 PolarHBondContact O-NH1 3.22Å
120E94.7Very high97.2Very high133 Ų13354.6 Ų54.662%0.62128%0.275SS*.THydrogen-bonded Turntrans-61.3130.8175.6-66.8-165.2158.900111.3Q122 F159E120-Q122 PolarHBondContact O-N 3.27Å; E120-F159 HydrophobicContact CB-CE1 3.75Å; E120-F159 HydrophobicContact CB-CE2 4.46Å; E120-F159 HydrophobicContact CB-CZ 3.65Å; E120-F159 HydrophobicContact CG-CZ 4.26Å
121G96.1Very high97.2Very high19 Ų1949.9 Ų49.920%0.19626%0.255CS..THydrogen-bonded Turntrans80-10.2-176.700000115.3E119E119-G121 PolarHBondContact O-N 2.6Å
122Q97.9Very high97.1Very high57 Ų5747.1 Ų47.127%0.26624%0.243SC..  trans-83.9158.6166.7-64.1179.4-20.400110.6V115 G117 K118 E119 E120 R149 Q151V115-Q122 CarbonylContact O-C 3.57Å; V115-Q122 VanDerWaalsContact O-CA 3.3Å; V115-Q122 WeakPolarHBondContact O-CA 3.45Å; V115-Q122 VanDerWaalsContact O-CB 3.31Å; V115-Q122 WeakPolarHBondContact O-CB 3.16Å; G117-Q122 VanDerWaalsContact C-CB 3.48Å; G117-Q122 CarbonylContact O-C 3.59Å; G117-Q122 VanDerWaalsContact O-CB 3.26Å; G117-Q122 WeakPolarHBondContact O-CB 3.24Å; K118-Q122 VanDerWaalsContact N-OE1 3.17Å; E119-Q122 HydrophobicContact CB-CG 4.27Å; E119-Q122 VanDerWaalsContact N-OE1 3.07Å; E119-Q122 WeakPolarHBondContact O-CB 3.35Å; E119-Q122 PolarHBondContact O-N 2.95Å; E120-Q122 PolarHBondContact O-N 3.27Å; Q122-R149 PolarHBondContact O-NH1 2.98Å; Q122-R149 PolarHBondContact O-NH2 3.23Å; Q122-Q151 PolarHBondContact O-NE2 2.78Å
123L98.4Very high96.8Very high0 Ų049.2 Ų49.20%025%0.252CS..BIsolated β-bridgetrans-119.3142.4178.1-65.8-179.1000110.7H98 I100 V115 A116 G117 V140 D142 F153H98-L123 WeakPolarHBondContact O-CB 3.38Å; I100-L123 HydrophobicContact CD1-CD1 4.37Å; I100-L123 HydrophobicContact CG1-CD1 3.84Å; V115-L123 PolarHBondContact O-N 2.97Å; A116-L123 CarbonylContact C-O 3.49Å; A116-L123 VanDerWaalsContact CA-O 3.3Å; A116-L123 WeakPolarHBondContact CA-O 3.26Å; G117-L123 PolarHBondContact N-O 2.88Å; G117-L123 CarbonylContact O-C 3.34Å; L123-V140 HydrophobicContact CD2-CB 4.42Å; L123-V140 HydrophobicContact CD2-CG1 3.76Å; L123-D142 WeakPolarHBondContact CA-OD2 3.34Å; L123-F153 HydrophobicContact CD2-CE2 3.9Å; L123-F153 HydrophobicContact CD2-CZ 3.76Å; L123-F153 HydrophobicContact CG-CZ 4.26Å
124W97.6Very high96.5Very high68 Ų6853.4 Ų53.426%0.25828%0.276SS..SBendtrans-139.399.7-178.6-166.9-111.9000109.3H98 A116 K118 D142 R143 R149H98-W124 AromaticContact CE1-CD2 3.8Å; H98-W124 AromaticContact CE1-CE3 3.39Å; H98-W124 AromaticContact CE1-CH2 3.88Å; H98-W124 AromaticContact CE1-CZ3 3.43Å; H98-W124 VanDerWaalsContact CE1-CZ3 3.43Å; H98-W124 WeakPolarHBondContact CE1-CZ3 3.45Å; H98-W124 AromaticContact ND1-CD2 3.86Å; H98-W124 AromaticContact ND1-CE3 3.34Å; H98-W124 VanDerWaalsContact ND1-CE3 3.34Å; H98-W124 AromaticContact ND1-CZ3 3.77Å; A116-W124 HydrophobicContact CB-CZ3 4.36Å; K118-W124 VanDerWaalsContact CE-CD1 3.47Å; K118-W124 HydrophobicContact CG-CB 4.1Å; K118-W124 HydrophobicContact CG-CD2 4.4Å; K118-W124 HydrophobicContact CG-CG 3.93Å; W124-D142 PolarHBondContact N-OD2 2.96Å; W124-R143 WeakPolarHBondContact O-CA 3.28Å; W124-R143 VanDerWaalsContact O-CB 3.28Å; W124-R143 WeakPolarHBondContact O-CB 3.24Å; W124-R143 PolarHBondContact O-N 2.97Å; W124-R149 VanDerWaalsContact N-NH2 3.12Å
125Y97.5Very high96.4Very high71 Ų7154.5 Ų54.528%0.27827%0.274SS..SBendtrans51.562.3-173.9-56.1-74.8000113.2T95 H98 R127T95-Y125 HydrophobicContact CG2-CD1 4.15Å; T95-Y125 WeakPolarHBondContact O-CA 3.42Å; H98-Y125 AromaticContact CE1-CD1 3.8Å; H98-Y125 AromaticContact CE1-CD2 3.82Å; H98-Y125 AromaticContact CE1-CE1 3.62Å; H98-Y125 AromaticContact CE1-CE2 3.65Å; H98-Y125 AromaticContact CE1-CG 3.91Å; H98-Y125 AromaticContact CE1-CZ 3.54Å; H98-Y125 PolarHBondContact ND1-N 2.93Å; H98-Y125 VanDerWaalsContact ND1-N 3.19Å; H98-Y125 AromaticContact NE2-CE1 3.84Å; H98-Y125 AromaticContact NE2-CZ 3.94Å; Y125-R127 PolarHBondContact O-N 3.06Å
126P97.8Very high96.3Very high0 Ų050.5 Ų50.50%025%0.252CS..  trans-60.6128.1174.428.6-34.9000110.6A93 T95 I100 V140 D142A93-P126 HydrophobicContact CB-CB 4.2Å; T95-P126 WeakPolarHBondContact CA-O 3.49Å; T95-P126 VanDerWaalsContact CB-O 3.28Å; T95-P126 WeakPolarHBondContact CB-O 3.43Å; T95-P126 WeakPolarHBondContact CG2-O 3.17Å; T95-P126 PolarHBondContact OG1-O 2.83Å; I100-P126 HydrophobicContact CD1-CB 4.02Å; I100-P126 HydrophobicContact CD1-CG 4.31Å; P126-V140 HydrophobicContact CB-CG1 3.91Å; P126-D142 VanDerWaalsContact CA-CB 3.41Å; P126-D142 HydrophobicContact CB-CB 3.94Å
127R95Very high96.3Very high100 Ų10049.7 Ų49.738%0.37724%0.239SC..  trans-110.9-35.5-175.3-75.6-177.1174.9-1050.8113.1H80 G81 T95 Y125 C141H80-R127 CarbonylContact C-O 3.57Å; G81-R127 WeakPolarHBondContact CA-O 3.37Å; G81-R127 PolarHBondContact N-O 2.86Å; T95-R127 HydrophobicContact CG2-CG 4.41Å; Y125-R127 PolarHBondContact O-N 3.06Å; R127-C141 PolarHBondContact N-O 2.94Å
128K96.6Very high96.4Very high27 Ų2749.4 Ų49.412%0.11723%0.234CC..EExtended strand (participates in β ladder)trans-134.2146.3-179.8-65.4-72.7176153.50110C141 V171 A172 L174 S215 D216K128-C141 HydrophobicContact CB-CB 4.21Å; K128-C141 PolarHBondContact N-O 3.47Å; K128-C141 PolarHBondContact O-N 3.23Å; K128-V171 HydrophobicContact CB-CG1 4.49Å; K128-V171 HydrophobicContact CG-CG1 4.33Å; K128-A172 WeakPolarHBondContact CE-O 3.33Å; K128-A172 PolarHBondContact NZ-O 2.9Å; K128-L174 HydrophobicContact CB-CB 3.85Å; K128-L174 HydrophobicContact CB-CD2 3.97Å; K128-L174 HydrophobicContact CG-CB 4.39Å; K128-S215 PolarHBondContact NZ-O 3.29Å; K128-D216 IonicContact NZ-OD1 2.68Å
129V98.2Very high96.6Very high5 Ų545.6 Ų45.63%0.0322%0.217CC..EExtended strand (participates in β ladder)trans-141.2138.1176.558.70000108.4C83 I91 A93 I100 V139 V140C83-V129 WeakPolarHBondContact CB-O 3.36Å; C83-V129 PolarHBondContact SG-O 3.07Å; I91-V129 HydrophobicContact CG2-CB 4.38Å; I91-V129 HydrophobicContact CG2-CG1 3.93Å; I91-V129 HydrophobicContact CG2-CG2 3.57Å; A93-V129 HydrophobicContact CB-CG1 4.14Å; I100-V129 HydrophobicContact CD1-CB 4.41Å; V129-V139 CarbonylContact C-O 3.51Å; V129-V139 VanDerWaalsContact CA-O 3.28Å; V129-V139 WeakPolarHBondContact CA-O 3.45Å; V129-V140 HydrophobicContact CG2-CG2 4.09Å
130A97.9Very high96.8Very high5 Ų539.2 Ų39.24%0.04119%0.187CC..EExtended strand (participates in β ladder)trans-134.4155173.800000109.8C83 F138 V139 L174 V176C83-A130 VanDerWaalsContact SG-CA 3.55Å; A130-F138 WeakPolarHBondContact O-CA 3.36Å; A130-V139 PolarHBondContact N-O 3.17Å; A130-V139 PolarHBondContact O-N 2.75Å; A130-L174 HydrophobicContact CB-CD2 3.82Å; A130-L174 HydrophobicContact CB-CG 3.92Å; A130-V176 HydrophobicContact CB-CG2 3.89Å
131V97.9Very high96.9Very high8 Ų833 Ų335%0.04816%0.158CC..EExtended strand (participates in β ladder)trans-110.2133.7176.6175.90000109.6V86 I91 H133 K137 F138V86-V131 HydrophobicContact CG2-CG1 4.24Å; I91-V131 HydrophobicContact CD1-CG2 3.95Å; I91-V131 HydrophobicContact CG1-CG2 3.94Å; V131-H133 PolarHBondContact O-N 2.71Å; V131-K137 WeakPolarHBondContact CA-O 3.35Å; V131-F138 HydrophobicContact CG2-CD1 3.72Å; V131-F138 HydrophobicContact CG2-CE1 3.89Å
132M96.6Very high96.9Very high1 Ų132.2 Ų32.21%0.00515%0.15CC..  trans-81.1109.2170.8-63.5-171.879.200110.1N134 N135 G136 K137 V139 V176 G180 E197M132-N134 VanDerWaalsContact C-N 3.25Å; M132-N134 PolarHBondContact O-N 3.12Å; M132-N135 WeakPolarHBondContact CB-OD1 3.25Å; M132-N135 PolarHBondContact O-N 2.66Å; M132-G136 WeakPolarHBondContact O-CA 3.44Å; M132-G136 PolarHBondContact O-N 2.83Å; M132-K137 HydrophobicContact CB-CB 4.4Å; M132-K137 HydrophobicContact CG-CB 4.42Å; M132-K137 PolarHBondContact N-O 3.31Å; M132-K137 HydrophobicContact SD-CB 4.13Å; M132-K137 HydrophobicContact SD-CD 4.37Å; M132-V139 HydrophobicContact CG-CG2 3.96Å; M132-V139 HydrophobicContact SD-CG2 4.37Å; M132-V176 HydrophobicContact CG-CG1 4.36Å; M132-V176 HydrophobicContact CG-CG2 4.35Å; M132-G180 WeakPolarHBondContact CE-O 3.35Å; M132-E197 HydrophobicContact CE-CB 3.86Å; M132-E197 HydrophobicContact CE-CG 3.46Å; M132-E197 VanDerWaalsContact CE-CG 3.46Å; M132-E197 HydrophobicContact SD-CG 3.63Å
133H92.5Very high96.6Very high113 Ų11334.8 Ų34.852%0.52316%0.157SC..THydrogen-bonded Turntrans-62.7-28.8-172.8-72.2-82000114.7V131 N135V131-H133 PolarHBondContact O-N 2.71Å; H133-N135 VanDerWaalsContact C-N 3.32Å; H133-N135 PolarHBondContact O-N 3.17Å
134N93.1Very high96.1Very high107 Ų10735.2 Ų35.257%0.57216%0.161SC*.THydrogen-bonded Turntrans-71.4-22-178.262.9-12000114.1M132M132-N134 VanDerWaalsContact C-N 3.25Å; M132-N134 PolarHBondContact O-N 3.12Å
135N94.5Very high95.4Very high53 Ų5337.8 Ų37.828%0.28318%0.18SC..THydrogen-bonded Turntrans-144.7-4.1-173.762.732.4000115M132 H133 K137 E197M132-N135 WeakPolarHBondContact CB-OD1 3.25Å; M132-N135 PolarHBondContact O-N 2.66Å; H133-N135 VanDerWaalsContact C-N 3.32Å; H133-N135 PolarHBondContact O-N 3.17Å; N135-K137 VanDerWaalsContact C-N 3.28Å; N135-K137 WeakPolarHBondContact ND2-CD 3.5Å; N135-K137 WeakPolarHBondContact ND2-CE 3.29Å; N135-K137 PolarHBondContact ND2-NZ 2.95Å; N135-K137 PolarHBondContact O-N 2.93Å; N135-K137 VanDerWaalsContact OD1-CB 3.24Å; N135-K137 WeakPolarHBondContact OD1-CB 3.36Å; N135-K137 WeakPolarHBondContact OD1-CD 3.23Å; N135-K137 WeakPolarHBondContact OD1-CG 3.44Å; N135-K137 PolarHBondContact OD1-N 2.81Å; N135-E197 PolarHBondContact ND2-OE2 2.87Å
136G96.5Very high94.7Very high12 Ų1242.9 Ų42.912%0.12421%0.207CC..  trans71.913.317900000114.8M132 K155M132-G136 WeakPolarHBondContact O-CA 3.44Å; M132-G136 PolarHBondContact O-N 2.83Å; G136-K155 WeakPolarHBondContact O-CA 3.24Å; G136-K155 VanDerWaalsContact O-CB 3.29Å; G136-K155 WeakPolarHBondContact O-CB 3.37Å
137K97.9Very high94.2Very high39 Ų3946.6 Ų46.617%0.1722%0.221CC..  trans-69145.7175.7-68.3170.1-167.1160.40110.6V131 M132 N135 I152 F153 M160 E197V131-K137 WeakPolarHBondContact CA-O 3.35Å; M132-K137 HydrophobicContact CB-CB 4.4Å; M132-K137 HydrophobicContact CG-CB 4.42Å; M132-K137 PolarHBondContact N-O 3.31Å; M132-K137 HydrophobicContact SD-CB 4.13Å; M132-K137 HydrophobicContact SD-CD 4.37Å; N135-K137 VanDerWaalsContact C-N 3.28Å; N135-K137 WeakPolarHBondContact ND2-CD 3.5Å; N135-K137 WeakPolarHBondContact ND2-CE 3.29Å; N135-K137 PolarHBondContact ND2-NZ 2.95Å; N135-K137 PolarHBondContact O-N 2.93Å; N135-K137 VanDerWaalsContact OD1-CB 3.24Å; N135-K137 WeakPolarHBondContact OD1-CB 3.36Å; N135-K137 WeakPolarHBondContact OD1-CD 3.23Å; N135-K137 WeakPolarHBondContact OD1-CG 3.44Å; N135-K137 PolarHBondContact OD1-N 2.81Å; K137-I152 HydrophobicContact CB-CG2 4.12Å; K137-I152 HydrophobicContact CD-CG2 3.96Å; K137-I152 HydrophobicContact CG-CG2 4.35Å; K137-F153 CarbonylContact C-O 3.6Å; K137-F153 VanDerWaalsContact CA-O 3.32Å; K137-F153 WeakPolarHBondContact CA-O 3.47Å; K137-F153 WeakPolarHBondContact CB-O 3.49Å; K137-M160 HydrophobicContact CD-CE 4.46Å; K137-M160 HydrophobicContact CD-SD 3.93Å; K137-M160 HydrophobicContact CG-SD 4.02Å; K137-E197 IonicContact NZ-OE1 3.77Å; K137-E197 PolarHBondContact NZ-OE1 3.29Å; K137-E197 IonicContact NZ-OE2 2.78Å; K137-E197 PolarHBondContact NZ-OE2 3.45Å
138F98.4Very high94Very high5 Ų543 Ų432%0.02221%0.211CC..EExtended strand (participates in β ladder)trans-91.7132172.4-51.4-71.1000109.9I91 V102 F111 F113 A130 V131 V140 I152 F153 S154 K155I91-F138 HydrophobicContact CG1-CD1 4.15Å; I91-F138 HydrophobicContact CG1-CE1 3.64Å; I91-F138 HydrophobicContact CG2-CD1 4.19Å; I91-F138 HydrophobicContact CG2-CE1 4.31Å; V102-F138 HydrophobicContact CG2-CE1 4.47Å; V102-F138 HydrophobicContact CG2-CZ 4.21Å; F111-F138 HydrophobicContact CE2-CE2 4.46Å; F111-F138 HydrophobicContact CZ-CE2 4.14Å; F111-F138 AromaticContact CZ-CZ 4Å; F111-F138 HydrophobicContact CZ-CZ 4Å; F113-F138 AromaticContact CE1-CD2 3.75Å; F113-F138 HydrophobicContact CE1-CD2 3.75Å; F113-F138 AromaticContact CE1-CE2 3.83Å; F113-F138 HydrophobicContact CE1-CE2 3.83Å; F113-F138 HydrophobicContact CE1-CG 4.29Å; F113-F138 HydrophobicContact CE1-CZ 4.46Å; F113-F138 HydrophobicContact CZ-CB 4.18Å; F113-F138 AromaticContact CZ-CD2 3.59Å; F113-F138 HydrophobicContact CZ-CD2 3.59Å; F113-F138 HydrophobicContact CZ-CE2 4.17Å; F113-F138 AromaticContact CZ-CG 3.92Å; F113-F138 HydrophobicContact CZ-CG 3.92Å; A130-F138 WeakPolarHBondContact O-CA 3.36Å; V131-F138 HydrophobicContact CG2-CD1 3.72Å; V131-F138 HydrophobicContact CG2-CE1 3.89Å; F138-V140 HydrophobicContact CB-CG2 4.29Å; F138-I152 CarbonylContact O-C 3.53Å; F138-I152 VanDerWaalsContact O-CA 3.31Å; F138-I152 WeakPolarHBondContact O-CA 3.26Å; F138-F153 HydrophobicContact CB-CB 4.28Å; F138-F153 HydrophobicContact CD2-CB 4.25Å; F138-F153 PolarHBondContact N-O 2.96Å; F138-F153 PolarHBondContact O-N 3.5Å; F138-S154 WeakPolarHBondContact CD2-O 3.29Å; F138-S154 WeakPolarHBondContact CE2-O 3.32Å; F138-K155 WeakPolarHBondContact CE2-O 3.33Å
139V98.3Very high93.9Very high0 Ų042.1 Ų42.10%021%0.207CC..EExtended strand (participates in β ladder)trans-102.9113.6166.4-176.60000106.8V129 A130 M132 M150 I152 L174 I182V129-V139 CarbonylContact C-O 3.51Å; V129-V139 VanDerWaalsContact CA-O 3.28Å; V129-V139 WeakPolarHBondContact CA-O 3.45Å; A130-V139 PolarHBondContact N-O 3.17Å; A130-V139 PolarHBondContact O-N 2.75Å; M132-V139 HydrophobicContact CG-CG2 3.96Å; M132-V139 HydrophobicContact SD-CG2 4.37Å; V139-M150 HydrophobicContact CG1-CE 4.42Å; V139-M150 HydrophobicContact CG1-CG 3.66Å; V139-M150 HydrophobicContact CG1-SD 3.74Å; V139-I152 HydrophobicContact CG2-CG1 4.38Å; V139-L174 HydrophobicContact CG1-CD2 4.3Å; V139-I182 HydrophobicContact CG1-CD1 3.98Å; V139-I182 HydrophobicContact CG1-CG1 4.46Å; V139-I182 HydrophobicContact CG1-CG2 4.05Å; V139-I182 HydrophobicContact CG2-CD1 3.76Å; V139-I182 HydrophobicContact CG2-CG1 3.99Å
140V98.3Very high93.8Very high0 Ų041.9 Ų41.90%021%0.205CC..EExtended strand (participates in β ladder)trans-112.2125.7-178.2-178.30000109I100 F113 L123 P126 V129 F138 M150 Q151 F153I100-V140 HydrophobicContact CD1-CG1 3.92Å; I100-V140 HydrophobicContact CD1-CG2 4.11Å; I100-V140 HydrophobicContact CG1-CG1 4.36Å; I100-V140 HydrophobicContact CG1-CG2 3.91Å; F113-V140 HydrophobicContact CE2-CG2 4.49Å; L123-V140 HydrophobicContact CD2-CB 4.42Å; L123-V140 HydrophobicContact CD2-CG1 3.76Å; P126-V140 HydrophobicContact CB-CG1 3.91Å; V129-V140 HydrophobicContact CG2-CG2 4.09Å; F138-V140 HydrophobicContact CB-CG2 4.29Å; V140-M150 CarbonylContact O-C 3.59Å; V140-M150 WeakPolarHBondContact O-CA 3.46Å; V140-Q151 PolarHBondContact N-O 3.36Å; V140-Q151 PolarHBondContact O-N 2.94Å; V140-F153 HydrophobicContact CB-CD2 4.28Å; V140-F153 HydrophobicContact CB-CE2 4.08Å; V140-F153 HydrophobicContact CG2-CD2 3.84Å; V140-F153 HydrophobicContact CG2-CE2 4.05Å
141C96.9Very high93.8Very high2 Ų241.7 Ų41.71%0.01420%0.203CC..EExtended strand (participates in β ladder)trans-104.1121.5171-66.70000109.7R127 K128 R149 M150 V171R127-C141 PolarHBondContact N-O 2.94Å; K128-C141 HydrophobicContact CB-CB 4.21Å; K128-C141 PolarHBondContact N-O 3.47Å; K128-C141 PolarHBondContact O-N 3.23Å; C141-R149 WeakPolarHBondContact CA-O 3.17Å; C141-M150 WeakPolarHBondContact SG-CE 3.45Å; C141-V171 HydrophobicContact CB-CB 4.21Å; C141-V171 HydrophobicContact CB-CG1 4.34Å; C141-V171 HydrophobicContact CB-CG2 4.11Å
142D96Very high93.8Very high4 Ų441.3 Ų41.32%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-139.7178-178.975.7-42.9000111.5L123 W124 P126 G144 R149 Q151L123-D142 WeakPolarHBondContact CA-OD2 3.34Å; W124-D142 PolarHBondContact N-OD2 2.96Å; P126-D142 VanDerWaalsContact CA-CB 3.41Å; P126-D142 HydrophobicContact CB-CB 3.94Å; D142-G144 PolarHBondContact O-N 3.48Å; D142-R149 PolarHBondContact N-O 3Å; D142-R149 PolarHBondContact O-N 3.09Å; D142-R149 WeakPolarHBondContact OD1-CD 3.3Å; D142-R149 WeakPolarHBondContact OD1-CG 3.28Å; D142-R149 IonicContact OD1-CZ 2.76Å; D142-R149 IonicContact OD1-NE 3.82Å; D142-R149 PolarHBondContact OD1-NE 3.35Å; D142-R149 IonicContact OD2-CZ 3.81Å; D142-R149 IonicContact OD2-NE 3.47Å; D142-R149 PolarHBondContact OD2-NE 3.14Å; D142-R149 IonicContact OD2-NH2 3.62Å; D142-R149 PolarHBondContact OD2-NH2 2.97Å; D142-Q151 PolarHBondContact OD1-NE2 3.4Å
143R92.6Very high93.9Very high111 Ų11141.3 Ų41.342%0.41920%0.201SC..EExtended strand (participates in β ladder)trans-82.2116.5-172.8-171-177.9-179.8-150.6-1110.9W124W124-R143 WeakPolarHBondContact O-CA 3.28Å; W124-R143 VanDerWaalsContact O-CB 3.28Å; W124-R143 WeakPolarHBondContact O-CB 3.24Å; W124-R143 PolarHBondContact O-N 2.97Å
144G87.1Confident94.1Very high8 Ų837 Ų378%0.08218%0.183CC..  trans-79.8-155.4172.300000113.5K118 D142 R147K118-G144 PolarHBondContact NZ-O 2.85Å; D142-G144 PolarHBondContact O-N 3.48Å; G144-R147 WeakPolarHBondContact CA-O 3.42Å; G144-R147 PolarHBondContact N-O 2.89Å
145N84.3Confident94.3Very high123 Ų12339 Ų3966%0.65819%0.187SC*.SBendtrans-74.1-55.5176.4-76.9-28.5000111.7K118K118-N145 WeakPolarHBondContact CD-OD1 3.22Å; K118-N145 PolarHBondContact NZ-OD1 2.98Å
146E82.4Confident94.4Very high178 Ų17839.8 Ų39.883%0.83220%0.196SC*.SBendtrans-110-42.5-176.6-64.9172.4-175.500111.2
147R87.1Confident94.5Very high78 Ų7839.7 Ų39.729%0.29420%0.195SC..SBendtrans-122.4175.6-177.2-62.6-173.3172.5101.36.1111.6G144 D169G144-R147 WeakPolarHBondContact CA-O 3.42Å; G144-R147 PolarHBondContact N-O 2.89Å; R147-D169 WeakPolarHBondContact CD-OD1 3.27Å; R147-D169 WeakPolarHBondContact CG-OD1 3.35Å; R147-D169 IonicContact CZ-OD1 3.74Å; R147-D169 IonicContact NE-OD1 3.29Å; R147-D169 PolarHBondContact NE-OD1 2.84Å
148S91.4Very high94.5Very high24 Ų2444 Ų4417%0.16822%0.215CC..EExtended strand (participates in β ladder)trans-52.3147.5164.4-64.80000110.6I165 D169 I170 V171S148-I165 VanDerWaalsContact O-CD1 3.28Å; S148-I165 WeakPolarHBondContact O-CD1 3.37Å; S148-D169 WeakPolarHBondContact CB-O 3.46Å; S148-D169 PolarHBondContact N-O 3.36Å; S148-D169 PolarHBondContact OG-O 2.83Å; S148-I170 WeakPolarHBondContact OG-CA 3.34Å; S148-V171 PolarHBondContact OG-N 2.82Å
149R93.8Very high94.5Very high9 Ų947 Ų473%0.03423%0.228CC..EExtended strand (participates in β ladder)trans-121.8150167.973.2-178.4173.5166.7-6.5108.6G117 K118 E119 Q122 W124 C141 D142G117-R149 PolarHBondContact O-NH2 2.91Å; K118-R149 VanDerWaalsContact CA-NH1 3.31Å; K118-R149 PolarHBondContact O-NH1 3.2Å; E119-R149 PolarHBondContact O-NH1 3.22Å; Q122-R149 PolarHBondContact O-NH1 2.98Å; Q122-R149 PolarHBondContact O-NH2 3.23Å; W124-R149 VanDerWaalsContact N-NH2 3.12Å; C141-R149 WeakPolarHBondContact CA-O 3.17Å; D142-R149 PolarHBondContact N-O 3Å; D142-R149 PolarHBondContact O-N 3.09Å; D142-R149 WeakPolarHBondContact OD1-CD 3.3Å; D142-R149 WeakPolarHBondContact OD1-CG 3.28Å; D142-R149 IonicContact OD1-CZ 2.76Å; D142-R149 IonicContact OD1-NE 3.82Å; D142-R149 PolarHBondContact OD1-NE 3.35Å; D142-R149 IonicContact OD2-CZ 3.81Å; D142-R149 IonicContact OD2-NE 3.47Å; D142-R149 PolarHBondContact OD2-NE 3.14Å; D142-R149 IonicContact OD2-NH2 3.62Å; D142-R149 PolarHBondContact OD2-NH2 2.97Å
150M96.1Very high94.5Very high0 Ų051.1 Ų51.10%025%0.249CC..EExtended strand (participates in β ladder)trans-120.8133.1178.3-174-178.1-74.200108.9V139 V140 C141 I163 I165 L174 I182 A184 I195V139-M150 HydrophobicContact CG1-CE 4.42Å; V139-M150 HydrophobicContact CG1-CG 3.66Å; V139-M150 HydrophobicContact CG1-SD 3.74Å; V140-M150 CarbonylContact O-C 3.59Å; V140-M150 WeakPolarHBondContact O-CA 3.46Å; C141-M150 WeakPolarHBondContact SG-CE 3.45Å; M150-I163 HydrophobicContact CB-CB 4.28Å; M150-I163 HydrophobicContact CG-CB 4.35Å; M150-I163 PolarHBondContact O-N 3.34Å; M150-I163 HydrophobicContact SD-CB 4.32Å; M150-I163 HydrophobicContact SD-CD1 4.18Å; M150-I163 HydrophobicContact SD-CG2 4.29Å; M150-I165 HydrophobicContact CB-CD1 4.02Å; M150-I165 HydrophobicContact CB-CG1 4.23Å; M150-I165 HydrophobicContact CB-CG2 3.9Å; M150-I165 HydrophobicContact CE-CG2 4.02Å; M150-I165 HydrophobicContact SD-CG2 4.11Å; M150-L174 HydrophobicContact CE-CD1 3.86Å; M150-I182 HydrophobicContact CE-CG2 3.86Å; M150-I182 HydrophobicContact SD-CD1 4.15Å; M150-I182 HydrophobicContact SD-CG2 3.87Å; M150-A184 HydrophobicContact CE-CB 4.21Å; M150-I195 HydrophobicContact CE-CD1 4.41Å
151Q97.4Very high94.3Very high0 Ų054.3 Ų54.30%026%0.261CS..EExtended strand (participates in β ladder)trans-134.1140-176.6-64.2-174.588.800110.2Q122 V140 D142 F153 F159 K162Q122-Q151 PolarHBondContact O-NE2 2.78Å; V140-Q151 PolarHBondContact N-O 3.36Å; V140-Q151 PolarHBondContact O-N 2.94Å; D142-Q151 PolarHBondContact OD1-NE2 3.4Å; Q151-F153 HydrophobicContact CB-CD2 4.32Å; Q151-F153 HydrophobicContact CB-CE2 3.57Å; Q151-F153 HydrophobicContact CB-CZ 4.2Å; Q151-F159 HydrophobicContact CB-CE2 4.37Å; Q151-F159 HydrophobicContact CG-CE2 4.38Å; Q151-K162 HydrophobicContact CG-CB 4.44Å; Q151-K162 HydrophobicContact CG-CG 4.4Å
152I98.2Very high94.2Very high0 Ų059.4 Ų59.40%028%0.283CS..EExtended strand (participates in β ladder)trans-100.2130174-69-174.8000109.5K137 F138 V139 M160 R161 I163 I182 E197K137-I152 HydrophobicContact CB-CG2 4.12Å; K137-I152 HydrophobicContact CD-CG2 3.96Å; K137-I152 HydrophobicContact CG-CG2 4.35Å; F138-I152 CarbonylContact O-C 3.53Å; F138-I152 VanDerWaalsContact O-CA 3.31Å; F138-I152 WeakPolarHBondContact O-CA 3.26Å; V139-I152 HydrophobicContact CG2-CG1 4.38Å; I152-M160 HydrophobicContact CG2-CB 4.18Å; I152-M160 HydrophobicContact CG2-CG 4.47Å; I152-M160 HydrophobicContact CG2-SD 4.08Å; I152-M160 WeakPolarHBondContact O-CB 3.49Å; I152-M160 PolarHBondContact O-N 2.87Å; I152-R161 HydrophobicContact CB-CG 4.4Å; I152-R161 PolarHBondContact N-O 3.27Å; I152-R161 PolarHBondContact O-N 2.79Å; I152-I163 HydrophobicContact CD1-CD1 3.52Å; I152-I163 HydrophobicContact CD1-CG1 4.3Å; I152-I163 HydrophobicContact CG1-CD1 3.85Å; I152-I163 HydrophobicContact CG1-CG1 4.42Å; I152-I182 HydrophobicContact CD1-CD1 4.37Å; I152-E197 HydrophobicContact CD1-CG 3.92Å
153F98.6Very high94Very high2 Ų259.3 Ų59.31%0.00928%0.282CS..EExtended strand (participates in β ladder)trans-118.4147172-61.4-101.4000109.6F113 L123 K137 F138 V140 Q151 G157 H158 F159F113-F153 AromaticContact CD2-CD1 3.91Å; F113-F153 HydrophobicContact CD2-CD1 3.91Å; F113-F153 HydrophobicContact CD2-CE1 4.28Å; F113-F153 HydrophobicContact CD2-CG 4.23Å; F113-F153 HydrophobicContact CE2-CB 3.92Å; F113-F153 AromaticContact CE2-CD1 3.78Å; F113-F153 HydrophobicContact CE2-CD1 3.78Å; F113-F153 AromaticContact CE2-CD2 3.99Å; F113-F153 HydrophobicContact CE2-CD2 3.99Å; F113-F153 HydrophobicContact CE2-CE1 4.31Å; F113-F153 HydrophobicContact CE2-CE2 4.47Å; F113-F153 AromaticContact CE2-CG 3.63Å; F113-F153 HydrophobicContact CE2-CG 3.63Å; F113-F153 HydrophobicContact CZ-CB 4.32Å; F113-F153 HydrophobicContact CZ-CG 4.45Å; L123-F153 HydrophobicContact CD2-CE2 3.9Å; L123-F153 HydrophobicContact CD2-CZ 3.76Å; L123-F153 HydrophobicContact CG-CZ 4.26Å; K137-F153 CarbonylContact C-O 3.6Å; K137-F153 VanDerWaalsContact CA-O 3.32Å; K137-F153 WeakPolarHBondContact CA-O 3.47Å; K137-F153 WeakPolarHBondContact CB-O 3.49Å; F138-F153 HydrophobicContact CB-CB 4.28Å; F138-F153 HydrophobicContact CD2-CB 4.25Å; F138-F153 PolarHBondContact N-O 2.96Å; F138-F153 PolarHBondContact O-N 3.5Å; V140-F153 HydrophobicContact CB-CD2 4.28Å; V140-F153 HydrophobicContact CB-CE2 4.08Å; V140-F153 HydrophobicContact CG2-CD2 3.84Å; V140-F153 HydrophobicContact CG2-CE2 4.05Å; Q151-F153 HydrophobicContact CB-CD2 4.32Å; Q151-F153 HydrophobicContact CB-CE2 3.57Å; Q151-F153 HydrophobicContact CB-CZ 4.2Å; F153-G157 WeakPolarHBondContact CD1-O 3.41Å; F153-H158 CarbonylContact C-O 3.58Å; F153-H158 VanDerWaalsContact CA-O 3.3Å; F153-H158 WeakPolarHBondContact CA-O 3.42Å; F153-F159 HydrophobicContact CD1-CB 4.08Å; F153-F159 HydrophobicContact CE1-CB 3.89Å; F153-F159 HydrophobicContact CE1-CD2 4.13Å; F153-F159 HydrophobicContact CZ-CD2 4.19Å
154S98.2Very high93.5Very high21 Ų2157 Ų5715%0.14729%0.286CS..  trans-64.2165171.663.60000111.4F138 C156 G157 H158F138-S154 WeakPolarHBondContact CD2-O 3.29Å; F138-S154 WeakPolarHBondContact CE2-O 3.32Å; S154-C156 PolarHBondContact O-N 3.33Å; S154-C156 PolarHBondContact OG-SG 2.87Å; S154-G157 PolarHBondContact O-N 2.76Å; S154-H158 PolarHBondContact N-O 3.21Å; S154-H158 WeakPolarHBondContact OG-CB 3.33Å; S154-H158 PolarHBondContact OG-N 2.87Å; S154-H158 VanDerWaalsContact OG-N 3.08Å; S154-H158 PolarHBondContact OG-O 2.89Å
155K96.8Very high93.3Very high151 Ų15157.2 Ų57.266%0.65729%0.286SS*.THydrogen-bonded Turntrans-57.1-16.2176.569.6178.7-177.6177.30115.5F111 G136 F138F111-K155 WeakPolarHBondContact CZ-O 3.4Å; G136-K155 WeakPolarHBondContact O-CA 3.24Å; G136-K155 VanDerWaalsContact O-CB 3.29Å; G136-K155 WeakPolarHBondContact O-CB 3.37Å; F138-K155 WeakPolarHBondContact CE2-O 3.33Å
156C96.6Very high93.1Very high68 Ų6860.2 Ų60.246%0.45929%0.288SS..THydrogen-bonded Turntrans-102.48.5174.650.50000113.6S154 H158S154-C156 PolarHBondContact O-N 3.33Å; S154-C156 PolarHBondContact OG-SG 2.87Å; C156-H158 PolarHBondContact SG-ND1 3.33Å
157G97.7Very high93.1Very high10 Ų1057.2 Ų57.210%0.10327%0.27CS..SBendtrans85.16.917500000115.3F113 F153 S154F113-G157 VanDerWaalsContact CG-CA 3.48Å; F153-G157 WeakPolarHBondContact CD1-O 3.41Å; S154-G157 PolarHBondContact O-N 2.76Å
158H98.1Very high93.3Very high131 Ų13153.6 Ų53.661%0.60626%0.256SS*.  trans-75.8132.9172-57.1130.1000110.9F153 S154 C156 M160F153-H158 CarbonylContact C-O 3.58Å; F153-H158 VanDerWaalsContact CA-O 3.3Å; F153-H158 WeakPolarHBondContact CA-O 3.42Å; S154-H158 PolarHBondContact N-O 3.21Å; S154-H158 WeakPolarHBondContact OG-CB 3.33Å; S154-H158 PolarHBondContact OG-N 2.87Å; S154-H158 VanDerWaalsContact OG-N 3.08Å; S154-H158 PolarHBondContact OG-O 2.89Å; C156-H158 PolarHBondContact SG-ND1 3.33Å; H158-M160 PolarHBondContact O-N 3.13Å
159F98.3Very high93.2Very high66 Ų6654 Ų5429%0.28926%0.256SS..EExtended strand (participates in β ladder)trans-57.6135.1173.6175.2-110.2000110.8E120 Q151 F153 R161E120-F159 HydrophobicContact CB-CE1 3.75Å; E120-F159 HydrophobicContact CB-CE2 4.46Å; E120-F159 HydrophobicContact CB-CZ 3.65Å; E120-F159 HydrophobicContact CG-CZ 4.26Å; Q151-F159 HydrophobicContact CB-CE2 4.37Å; Q151-F159 HydrophobicContact CG-CE2 4.38Å; F153-F159 HydrophobicContact CD1-CB 4.08Å; F153-F159 HydrophobicContact CE1-CB 3.89Å; F153-F159 HydrophobicContact CE1-CD2 4.13Å; F153-F159 HydrophobicContact CZ-CD2 4.19Å; F159-R161 WeakPolarHBondContact CE2-O 3.47Å; F159-R161 VanDerWaalsContact CZ-C 3.4Å
160M97.8Very high93.1Very high88 Ų8857.3 Ų57.343%0.43327%0.274SS..EExtended strand (participates in β ladder)trans-110.8-53.1174.8-60.5-172.367.400111K137 I152 H158K137-M160 HydrophobicContact CD-CE 4.46Å; K137-M160 HydrophobicContact CD-SD 3.93Å; K137-M160 HydrophobicContact CG-SD 4.02Å; I152-M160 HydrophobicContact CG2-CB 4.18Å; I152-M160 HydrophobicContact CG2-CG 4.47Å; I152-M160 HydrophobicContact CG2-SD 4.08Å; I152-M160 WeakPolarHBondContact O-CB 3.49Å; I152-M160 PolarHBondContact O-N 2.87Å; H158-M160 PolarHBondContact O-N 3.13Å
161R95.9Very high93.1Very high66 Ų6657.7 Ų57.725%0.24928%0.277CS..EExtended strand (participates in β ladder)trans-169.5163.5-179.756.9-171.9165.382.65.7112.6I152 F159 E197 E198I152-R161 HydrophobicContact CB-CG 4.4Å; I152-R161 PolarHBondContact N-O 3.27Å; I152-R161 PolarHBondContact O-N 2.79Å; F159-R161 WeakPolarHBondContact CE2-O 3.47Å; F159-R161 VanDerWaalsContact CZ-C 3.4Å; R161-E197 PolarHBondContact NH1-O 2.91Å; R161-E197 VanDerWaalsContact NH2-C 3.25Å; R161-E197 VanDerWaalsContact NH2-CG 3.34Å; R161-E197 PolarHBondContact NH2-O 2.75Å; R161-E197 IonicContact NH2-OE1 2.63Å; R161-E197 PolarHBondContact NH2-OE1 2.64Å; R161-E198 PolarHBondContact NH1-O 3.46Å
162K94.3Very high93Very high110 Ų11058.3 Ų58.348%0.47828%0.282SS..EExtended strand (participates in β ladder)trans-92.6142.3167.6-177.2-180175.6-176.10110.3Q151Q151-K162 HydrophobicContact CG-CB 4.44Å; Q151-K162 HydrophobicContact CG-CG 4.4Å
163I90.9Very high92.9Very high2 Ų258.3 Ų58.31%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-100.8134170.3-68.8177.1000109.3M150 I152 I165 I182 I195 E197M150-I163 HydrophobicContact CB-CB 4.28Å; M150-I163 HydrophobicContact CG-CB 4.35Å; M150-I163 PolarHBondContact O-N 3.34Å; M150-I163 HydrophobicContact SD-CB 4.32Å; M150-I163 HydrophobicContact SD-CD1 4.18Å; M150-I163 HydrophobicContact SD-CG2 4.29Å; I152-I163 HydrophobicContact CD1-CD1 3.52Å; I152-I163 HydrophobicContact CD1-CG1 4.3Å; I152-I163 HydrophobicContact CG1-CD1 3.85Å; I152-I163 HydrophobicContact CG1-CG1 4.42Å; I163-I165 HydrophobicContact CG2-CG2 4.12Å; I163-I165 PolarHBondContact O-N 3.4Å; I163-I165 VanDerWaalsContact O-N 3.15Å; I163-I182 HydrophobicContact CD1-CD1 3.56Å; I163-I195 HydrophobicContact CG2-CG2 4.15Å; I163-E197 WeakPolarHBondContact CD1-O 3.31Å
164A82.8Confident92.8Very high61 Ų6159 Ų5950%0.50429%0.285SS..  trans-78.595.4178.200000111.1R166A164-R166 HydrophobicContact CB-CG 4.42Å; A164-R166 PolarHBondContact O-N 2.86Å
165I82.9Confident92.8Very high14 Ų1458.8 Ų58.87%0.07229%0.285CS..  trans-93.864.7174.653.2163.3000111.9S148 M150 I163 Y167 I168 I195S148-I165 VanDerWaalsContact O-CD1 3.28Å; S148-I165 WeakPolarHBondContact O-CD1 3.37Å; M150-I165 HydrophobicContact CB-CD1 4.02Å; M150-I165 HydrophobicContact CB-CG1 4.23Å; M150-I165 HydrophobicContact CB-CG2 3.9Å; M150-I165 HydrophobicContact CE-CG2 4.02Å; M150-I165 HydrophobicContact SD-CG2 4.11Å; I163-I165 HydrophobicContact CG2-CG2 4.12Å; I163-I165 PolarHBondContact O-N 3.4Å; I163-I165 VanDerWaalsContact O-N 3.15Å; I165-Y167 PolarHBondContact O-N 2.94Å; I165-Y167 VanDerWaalsContact O-N 3.12Å; I165-I168 HydrophobicContact CB-CB 4.22Å; I165-I168 HydrophobicContact CB-CD1 4.05Å; I165-I168 HydrophobicContact CB-CG1 4.23Å; I165-I168 HydrophobicContact CD1-CB 4.25Å; I165-I168 HydrophobicContact CG2-CD1 4.04Å; I165-I168 PolarHBondContact O-N 3.18Å; I165-I195 HydrophobicContact CG2-CD1 3.93Å
166R80.1Confident92.8Very high186 Ų18652.8 Ų52.870%0.70226%0.261SS*.THydrogen-bonded Turntrans-61.4-24.2-169.8-62.9-177.3-175.9-87.3-0.1114.7A164A164-R166 HydrophobicContact CB-CG 4.42Å; A164-R166 PolarHBondContact O-N 2.86Å
167Y83.1Confident92.7Very high114 Ų11450.6 Ų50.645%0.44725%0.245SC..THydrogen-bonded Turntrans-107.93.4-172.1-50.5-72.6000113.7L21 I165 F193 L201L21-Y167 HydrophobicContact CD2-CD1 3.87Å; L21-Y167 HydrophobicContact CD2-CE1 4.09Å; I165-Y167 PolarHBondContact O-N 2.94Å; I165-Y167 VanDerWaalsContact O-N 3.12Å; Y167-F193 HydrophobicContact CG-CE1 4.5Å; Y167-L201 HydrophobicContact CD2-CD2 4.42Å; Y167-L201 HydrophobicContact CE2-CD2 4.37Å
168I89.7Confident92.3Very high3 Ų355.5 Ų55.52%0.01529%0.285CS..  trans-111.6116.4-175.2-53-178.2000108.9I165 V171 A184 D186 F193 I195I165-I168 HydrophobicContact CB-CB 4.22Å; I165-I168 HydrophobicContact CB-CD1 4.05Å; I165-I168 HydrophobicContact CB-CG1 4.23Å; I165-I168 HydrophobicContact CD1-CB 4.25Å; I165-I168 HydrophobicContact CG2-CD1 4.04Å; I165-I168 PolarHBondContact O-N 3.18Å; I168-V171 HydrophobicContact CG2-CG2 3.67Å; I168-A184 HydrophobicContact CD1-CB 3.78Å; I168-D186 HydrophobicContact CG2-CB 4.14Å; I168-F193 HydrophobicContact CD1-CB 4.1Å; I168-F193 HydrophobicContact CD1-CD2 3.76Å; I168-F193 HydrophobicContact CD1-CE2 4.39Å; I168-F193 HydrophobicContact CD1-CG 3.99Å; I168-F193 HydrophobicContact CG1-CD2 3.61Å; I168-F193 HydrophobicContact CG1-CE2 3.73Å; I168-F193 HydrophobicContact CG1-CG 4.08Å; I168-F193 HydrophobicContact CG1-CZ 4.3Å; I168-I195 HydrophobicContact CD1-CD1 4.13Å
169D91Very high92Very high31 Ų3156.9 Ų56.917%0.16629%0.289CS..SBendtrans-82.7-56.5177.4-71-50.6000110.3R147 S148 D186 V188R147-D169 WeakPolarHBondContact CD-OD1 3.27Å; R147-D169 WeakPolarHBondContact CG-OD1 3.35Å; R147-D169 IonicContact CZ-OD1 3.74Å; R147-D169 IonicContact NE-OD1 3.29Å; R147-D169 PolarHBondContact NE-OD1 2.84Å; S148-D169 WeakPolarHBondContact CB-O 3.46Å; S148-D169 PolarHBondContact N-O 3.36Å; S148-D169 PolarHBondContact OG-O 2.83Å; D169-D186 PolarHBondContact N-OD1 2.83Å; D169-V188 HydrophobicContact CB-CB 3.86Å; D169-V188 HydrophobicContact CB-CG1 4.46Å; D169-V188 HydrophobicContact CB-CG2 3.57Å
170I91.9Very high91.8Very high79 Ų7954 Ų5441%0.40528%0.278SS..  trans-134.2115-177-59.3178000109.9S148 A172 D186 S187 V188S148-I170 WeakPolarHBondContact OG-CA 3.34Å; I170-A172 PolarHBondContact O-N 2.91Å; I170-A172 VanDerWaalsContact O-N 3.14Å; I170-D186 PolarHBondContact N-OD1 2.85Å; I170-D186 CarbonylContact O-C 3.57Å; I170-D186 WeakPolarHBondContact O-CA 3.35Å; I170-D186 VanDerWaalsContact O-OD1 3.13Å; I170-S187 WeakPolarHBondContact CB-OG 3.46Å; I170-S187 WeakPolarHBondContact CG2-OG 3.43Å; I170-S187 PolarHBondContact O-N 2.77Å; I170-V188 HydrophobicContact CB-CG2 4.18Å; I170-V188 HydrophobicContact CD1-CG2 3.82Å; I170-V188 HydrophobicContact CG1-CG2 3.87Å
171V94.9Very high91.7Very high9 Ų952.5 Ų52.56%0.05527%0.27CS..EExtended strand (participates in β ladder)trans-74105.2175.2-177.90000110K128 C141 S148 I168 G173 L174 A184 V185K128-V171 HydrophobicContact CB-CG1 4.49Å; K128-V171 HydrophobicContact CG-CG1 4.33Å; C141-V171 HydrophobicContact CB-CB 4.21Å; C141-V171 HydrophobicContact CB-CG1 4.34Å; C141-V171 HydrophobicContact CB-CG2 4.11Å; S148-V171 PolarHBondContact OG-N 2.82Å; I168-V171 HydrophobicContact CG2-CG2 3.67Å; V171-G173 VanDerWaalsContact CG1-O 3.29Å; V171-G173 WeakPolarHBondContact CG1-O 3.23Å; V171-L174 HydrophobicContact CG1-CB 4.16Å; V171-L174 HydrophobicContact CG1-CD1 4.41Å; V171-A184 HydrophobicContact CG1-CB 4.32Å; V171-V185 WeakPolarHBondContact CA-O 3.37Å
172A94.9Very high91.8Very high13 Ų1349.4 Ų49.411%0.10726%0.258CS..EExtended strand (participates in β ladder)trans-81.8-44.7172.700000112.5K128 I170 V185 P214 S215K128-A172 WeakPolarHBondContact CE-O 3.33Å; K128-A172 PolarHBondContact NZ-O 2.9Å; I170-A172 PolarHBondContact O-N 2.91Å; I170-A172 VanDerWaalsContact O-N 3.14Å; A172-V185 PolarHBondContact N-O 3.3Å; A172-P214 HydrophobicContact CB-CB 4.3Å; A172-P214 HydrophobicContact CB-CG 4.25Å; A172-P214 WeakPolarHBondContact CB-O 3.47Å; A172-S215 CarbonylContact O-C 3.57Å
173G96Very high91.9Very high0 Ų044.1 Ų44.10%024%0.236CC..EExtended strand (participates in β ladder)trans-122.6143.1178.700000110.8V171 A184 V185V171-G173 VanDerWaalsContact CG1-O 3.29Å; V171-G173 WeakPolarHBondContact CG1-O 3.23Å; G173-A184 WeakPolarHBondContact O-CA 3.35Å; G173-V185 PolarHBondContact O-N 3.15Å
174L97.4Very high92.2Very high15 Ų1544 Ų448%0.07924%0.235CC..EExtended strand (participates in β ladder)trans-140.3124.8175.4-171.571.4000109.9K128 A130 V139 M150 V171 I182 V183 A184K128-L174 HydrophobicContact CB-CB 3.85Å; K128-L174 HydrophobicContact CB-CD2 3.97Å; K128-L174 HydrophobicContact CG-CB 4.39Å; A130-L174 HydrophobicContact CB-CD2 3.82Å; A130-L174 HydrophobicContact CB-CG 3.92Å; V139-L174 HydrophobicContact CG1-CD2 4.3Å; M150-L174 HydrophobicContact CE-CD1 3.86Å; V171-L174 HydrophobicContact CG1-CB 4.16Å; V171-L174 HydrophobicContact CG1-CD1 4.41Å; L174-I182 HydrophobicContact CD1-CG2 3.85Å; L174-V183 WeakPolarHBondContact CA-O 3.47Å; L174-A184 HydrophobicContact CD1-CB 4.18Å
175A97.2Very high92.9Very high17 Ų1741.2 Ų41.214%0.1421%0.211CC..EExtended strand (participates in β ladder)trans-140.8168.3175.900000110.7V183 I217 I219A175-V183 PolarHBondContact N-O 2.81Å; A175-V183 PolarHBondContact O-N 3.03Å; A175-I217 HydrophobicContact CB-CG2 3.93Å; A175-I219 HydrophobicContact CB-CD1 3.85Å; A175-I219 HydrophobicContact CB-CG1 4.29Å
176V96.5Very high93.6Very high26 Ų2640.6 Ų40.616%0.15821%0.208CC..EExtended strand (participates in β ladder)trans-126.2128.8172.1179.80000108.3A130 M132 H181A130-V176 HydrophobicContact CB-CG2 3.89Å; M132-V176 HydrophobicContact CG-CG1 4.36Å; M132-V176 HydrophobicContact CG-CG2 4.35Å; V176-H181 CarbonylContact C-O 3.51Å; V176-H181 WeakPolarHBondContact CA-O 3.29Å
177T94.9Very high94.2Very high22 Ų2233.5 Ų33.514%0.13519%0.187CC..  trans-71.1162.8176.465.10000111.5K179 G180 H181 V183 I219T177-K179 PolarHBondContact O-N 2.92Å; T177-K179 VanDerWaalsContact O-N 3.1Å; T177-K179 PolarHBondContact OG1-N 3.32Å; T177-G180 PolarHBondContact O-N 2.76Å; T177-H181 HydrophobicContact CG2-CB 4.3Å; T177-H181 PolarHBondContact N-O 2.9Å; T177-H181 WeakPolarHBondContact OG1-CB 3.19Å; T177-H181 PolarHBondContact OG1-N 2.63Å; T177-H181 PolarHBondContact OG1-O 3.32Å; T177-V183 HydrophobicContact CG2-CG2 3.7Å; T177-I219 HydrophobicContact CG2-CD1 3.91Å; T177-I219 HydrophobicContact CG2-CG2 4.25Å
178A90.6Very high94.6Very high113 Ų11331.8 Ų31.893%0.93419%0.189SC*.THydrogen-bonded Turntrans-58-2517300000113.7G180A178-G180 VanDerWaalsContact C-N 3.26Å; A178-G180 PolarHBondContact O-N 3.33Å
179K91.7Very high94.8Very high159 Ų15934.3 Ų34.369%0.69121%0.206SC*.THydrogen-bonded Turntrans-80.3-4175.7-63.7178.1-176.8169.50113.2T177T177-K179 PolarHBondContact O-N 2.92Å; T177-K179 VanDerWaalsContact O-N 3.1Å; T177-K179 PolarHBondContact OG1-N 3.32Å
180G93.8Very high95Very high6 Ų633.7 Ų33.76%0.06220%0.204CC..SBendtrans82.99.7-17700000114.5M132 T177 A178M132-G180 WeakPolarHBondContact CE-O 3.35Å; T177-G180 PolarHBondContact O-N 2.76Å; A178-G180 VanDerWaalsContact C-N 3.26Å; A178-G180 PolarHBondContact O-N 3.33Å
181H95.6Very high95.3Very high57 Ų5730.1 Ų30.126%0.26419%0.186SC..  trans-74.7137.5169.8-59153.4000111V176 T177 V194 I195V176-H181 CarbonylContact C-O 3.51Å; V176-H181 WeakPolarHBondContact CA-O 3.29Å; T177-H181 HydrophobicContact CG2-CB 4.3Å; T177-H181 PolarHBondContact N-O 2.9Å; T177-H181 WeakPolarHBondContact OG1-CB 3.19Å; T177-H181 PolarHBondContact OG1-N 2.63Å; T177-H181 PolarHBondContact OG1-O 3.32Å; H181-V194 HydrophobicContact CB-CG1 3.62Å; H181-I195 CarbonylContact C-O 3.56Å; H181-I195 WeakPolarHBondContact CA-O 3.5Å
182I97Very high95.5Very high0 Ų029.7 Ų29.70%018%0.183CC..EExtended strand (participates in β ladder)trans-82131.6174.5-56.2168.8000107.8V139 M150 I152 I163 L174 V194 I195V139-I182 HydrophobicContact CG1-CD1 3.98Å; V139-I182 HydrophobicContact CG1-CG1 4.46Å; V139-I182 HydrophobicContact CG1-CG2 4.05Å; V139-I182 HydrophobicContact CG2-CD1 3.76Å; V139-I182 HydrophobicContact CG2-CG1 3.99Å; M150-I182 HydrophobicContact CE-CG2 3.86Å; M150-I182 HydrophobicContact SD-CD1 4.15Å; M150-I182 HydrophobicContact SD-CG2 3.87Å; I152-I182 HydrophobicContact CD1-CD1 4.37Å; I163-I182 HydrophobicContact CD1-CD1 3.56Å; L174-I182 HydrophobicContact CD1-CG2 3.85Å; I182-V194 CarbonylContact O-C 3.59Å; I182-V194 WeakPolarHBondContact O-CA 3.45Å; I182-I195 HydrophobicContact CB-CB 4.37Å; I182-I195 PolarHBondContact N-O 3.31Å; I182-I195 PolarHBondContact O-N 3.24Å
183V97.7Very high95.6Very high0 Ų029.5 Ų29.50%018%0.18CC..EExtended strand (participates in β ladder)trans-120.3125.4176.6-176.90000109.5L174 A175 T177 V192 F193 V194 I217 I219 F224L174-V183 WeakPolarHBondContact CA-O 3.47Å; A175-V183 PolarHBondContact N-O 2.81Å; A175-V183 PolarHBondContact O-N 3.03Å; T177-V183 HydrophobicContact CG2-CG2 3.7Å; V183-V192 HydrophobicContact CG1-CG1 3.62Å; V183-F193 VanDerWaalsContact CA-O 3.25Å; V183-F193 WeakPolarHBondContact CA-O 3.47Å; V183-V194 HydrophobicContact CG2-CB 4.49Å; V183-V194 HydrophobicContact CG2-CG1 4.25Å; V183-V194 HydrophobicContact CG2-CG2 4.09Å; V183-I217 HydrophobicContact CG1-CD1 3.71Å; V183-I219 HydrophobicContact CB-CD1 3.49Å; V183-I219 VanDerWaalsContact CB-CD1 3.49Å; V183-I219 HydrophobicContact CG1-CD1 3.83Å; V183-I219 HydrophobicContact CG2-CD1 3.37Å; V183-F224 HydrophobicContact CB-CE1 4.47Å; V183-F224 HydrophobicContact CG1-CD1 4.02Å; V183-F224 HydrophobicContact CG1-CE1 3.71Å; V183-F224 HydrophobicContact CG2-CE1 3.96Å
184A97.4Very high95.6Very high0 Ų029.7 Ų29.70%018%0.181CC..EExtended strand (participates in β ladder)trans-125.6138.7-179.800000110M150 I168 V171 G173 L174 F193M150-A184 HydrophobicContact CE-CB 4.21Å; I168-A184 HydrophobicContact CD1-CB 3.78Å; V171-A184 HydrophobicContact CG1-CB 4.32Å; G173-A184 WeakPolarHBondContact O-CA 3.35Å; L174-A184 HydrophobicContact CD1-CB 4.18Å; A184-F193 PolarHBondContact N-O 3.31Å; A184-F193 PolarHBondContact O-N 2.99Å
185V97.4Very high95.5Very high1 Ų129.4 Ų29.41%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-105.2120172.9-172.50000108.2V171 A172 G173 T191 V192 P214 I217 V226V171-V185 WeakPolarHBondContact CA-O 3.37Å; A172-V185 PolarHBondContact N-O 3.3Å; G173-V185 PolarHBondContact O-N 3.15Å; V185-T191 WeakPolarHBondContact CA-O 3.34Å; V185-V192 HydrophobicContact CG2-CG2 4.24Å; V185-P214 HydrophobicContact CG1-CB 3.7Å; V185-P214 HydrophobicContact CG1-CG 4.06Å; V185-I217 HydrophobicContact CG2-CB 3.84Å; V185-I217 HydrophobicContact CG2-CD1 3.62Å; V185-I217 HydrophobicContact CG2-CG1 4.25Å; V185-I217 HydrophobicContact CG2-CG2 4.06Å; V185-V226 HydrophobicContact CG1-CG1 4.1Å; V185-V226 HydrophobicContact CG2-CG1 4.29Å; V185-V226 HydrophobicContact CG2-CG2 4.49Å
186D96Very high95.4Very high1 Ų129.2 Ų29.21%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-76.6139169.6-177.137.8000110.2I168 D169 I170 V188 S189 P190 T191 F193I168-D186 HydrophobicContact CG2-CB 4.14Å; D169-D186 PolarHBondContact N-OD1 2.83Å; I170-D186 PolarHBondContact N-OD1 2.85Å; I170-D186 CarbonylContact O-C 3.57Å; I170-D186 WeakPolarHBondContact O-CA 3.35Å; I170-D186 VanDerWaalsContact O-OD1 3.13Å; D186-V188 PolarHBondContact OD1-N 3.14Å; D186-S189 PolarHBondContact OD2-N 2.71Å; D186-P190 WeakPolarHBondContact O-CA 3.37Å; D186-T191 PolarHBondContact N-O 3.4Å; D186-F193 HydrophobicContact CB-CE2 3.95Å
187S92.9Very high95.2Very high38 Ų3829.4 Ų29.427%0.26618%0.176SC..THydrogen-bonded Turntrans-97.7-17.5178.980.60000114.1I170I170-S187 WeakPolarHBondContact CB-OG 3.46Å; I170-S187 WeakPolarHBondContact CG2-OG 3.43Å; I170-S187 PolarHBondContact O-N 2.77Å
188V92.3Very high94.9Very high78 Ų7834.4 Ų34.447%0.47320%0.198SC..THydrogen-bonded Turntrans-81.6-48.8-178.5179.20000110.1D169 I170 D186D169-V188 HydrophobicContact CB-CB 3.86Å; D169-V188 HydrophobicContact CB-CG1 4.46Å; D169-V188 HydrophobicContact CB-CG2 3.57Å; I170-V188 HydrophobicContact CB-CG2 4.18Å; I170-V188 HydrophobicContact CD1-CG2 3.82Å; I170-V188 HydrophobicContact CG1-CG2 3.87Å; D186-V188 PolarHBondContact OD1-N 3.14Å
189S93.3Very high94.9Very high55 Ų5529.7 Ų29.739%0.38516%0.161SC..THydrogen-bonded Turntrans-117.892.1169.9-53.40000107.4D186 T191D186-S189 PolarHBondContact OD2-N 2.71Å; S189-T191 VanDerWaalsContact O-CB 3.27Å; S189-T191 WeakPolarHBondContact O-CB 3.45Å; S189-T191 PolarHBondContact O-N 3.21Å; S189-T191 PolarHBondContact O-OG1 3.03Å
190P96.4Very high94.9Very high19 Ų1928.6 Ų28.612%0.12316%0.158CC..THydrogen-bonded Turntrans-51.4102.8-170.4-26.633.3000112.6D186 C207 S208 M211 P214D186-P190 WeakPolarHBondContact O-CA 3.37Å; P190-C207 CarbonylContact O-C 3.46Å; P190-C207 PolarHBondContact O-N 2.98Å; P190-C207 PolarHBondContact O-SG 3.22Å; P190-C207 VanDerWaalsContact O-SG 3.36Å; P190-S208 PolarHBondContact O-N 3.37Å; P190-M211 HydrophobicContact CB-CB 3.65Å; P190-M211 HydrophobicContact CB-CG 4.06Å; P190-M211 HydrophobicContact CG-CB 4.03Å; P190-P214 HydrophobicContact CB-CG 4.43Å
191T97.6Very high94.9Very high4 Ų431.4 Ų31.43%0.02517%0.172CC..EExtended strand (participates in β ladder)trans-147135.7-171-56.20000107.7V185 D186 S189 F193 W204 F205V185-T191 WeakPolarHBondContact CA-O 3.34Å; D186-T191 PolarHBondContact N-O 3.4Å; S189-T191 VanDerWaalsContact O-CB 3.27Å; S189-T191 WeakPolarHBondContact O-CB 3.45Å; S189-T191 PolarHBondContact O-N 3.21Å; S189-T191 PolarHBondContact O-OG1 3.03Å; T191-F193 HydrophobicContact CG2-CD1 4.47Å; T191-F193 HydrophobicContact CG2-CD2 4.09Å; T191-F193 HydrophobicContact CG2-CE1 3.95Å; T191-F193 HydrophobicContact CG2-CE2 3.53Å; T191-F193 HydrophobicContact CG2-CZ 3.46Å; T191-F193 VanDerWaalsContact CG2-CZ 3.46Å; T191-W204 HydrophobicContact CG2-CB 4.42Å; T191-W204 HydrophobicContact CG2-CE3 3.77Å; T191-F205 WeakPolarHBondContact CA-O 3.07Å; T191-F205 WeakPolarHBondContact CG2-O 3.43Å
192V98.1Very high94.8Very high0 Ų032 Ų320%018%0.179CC..EExtended strand (participates in β ladder)trans-97125.9173.1-178.30000108.5V183 V185 W204 F205 I217 F224 V226V183-V192 HydrophobicContact CG1-CG1 3.62Å; V185-V192 HydrophobicContact CG2-CG2 4.24Å; V192-W204 CarbonylContact O-C 3.57Å; V192-W204 WeakPolarHBondContact O-CA 3.12Å; V192-W204 WeakPolarHBondContact O-CB 3.27Å; V192-F205 HydrophobicContact CB-CD1 4.15Å; V192-F205 HydrophobicContact CB-CD2 4.13Å; V192-F205 HydrophobicContact CB-CE1 3.68Å; V192-F205 HydrophobicContact CB-CE2 3.67Å; V192-F205 HydrophobicContact CB-CG 4.36Å; V192-F205 HydrophobicContact CB-CZ 3.43Å; V192-F205 VanDerWaalsContact CB-CZ 3.43Å; V192-F205 HydrophobicContact CG1-CE1 3.77Å; V192-F205 HydrophobicContact CG1-CE2 4.46Å; V192-F205 HydrophobicContact CG1-CZ 3.74Å; V192-F205 HydrophobicContact CG2-CD2 4.23Å; V192-F205 HydrophobicContact CG2-CE1 4.27Å; V192-F205 HydrophobicContact CG2-CE2 3.46Å; V192-F205 VanDerWaalsContact CG2-CE2 3.46Å; V192-F205 HydrophobicContact CG2-CZ 3.49Å; V192-F205 VanDerWaalsContact CG2-CZ 3.49Å; V192-F205 PolarHBondContact N-O 3.19Å; V192-F205 PolarHBondContact O-N 3.2Å; V192-I217 HydrophobicContact CG1-CD1 4.31Å; V192-F224 HydrophobicContact CG1-CD1 3.84Å; V192-F224 HydrophobicContact CG1-CE1 4.1Å; V192-V226 HydrophobicContact CG2-CG2 4Å
193F97.3Very high94.7Very high9 Ų936.5 Ų36.54%0.03920%0.196CC..EExtended strand (participates in β ladder)trans-111.3133.7175.8-62.6-88.3000109.9Y167 I168 V183 A184 D186 T191 I195 L201 W204Y167-F193 HydrophobicContact CG-CE1 4.5Å; I168-F193 HydrophobicContact CD1-CB 4.1Å; I168-F193 HydrophobicContact CD1-CD2 3.76Å; I168-F193 HydrophobicContact CD1-CE2 4.39Å; I168-F193 HydrophobicContact CD1-CG 3.99Å; I168-F193 HydrophobicContact CG1-CD2 3.61Å; I168-F193 HydrophobicContact CG1-CE2 3.73Å; I168-F193 HydrophobicContact CG1-CG 4.08Å; I168-F193 HydrophobicContact CG1-CZ 4.3Å; V183-F193 VanDerWaalsContact CA-O 3.25Å; V183-F193 WeakPolarHBondContact CA-O 3.47Å; A184-F193 PolarHBondContact N-O 3.31Å; A184-F193 PolarHBondContact O-N 2.99Å; D186-F193 HydrophobicContact CB-CE2 3.95Å; T191-F193 HydrophobicContact CG2-CD1 4.47Å; T191-F193 HydrophobicContact CG2-CD2 4.09Å; T191-F193 HydrophobicContact CG2-CE1 3.95Å; T191-F193 HydrophobicContact CG2-CE2 3.53Å; T191-F193 HydrophobicContact CG2-CZ 3.46Å; T191-F193 VanDerWaalsContact CG2-CZ 3.46Å; F193-I195 HydrophobicContact CB-CD1 4.36Å; F193-I195 HydrophobicContact CB-CG1 4.32Å; F193-L201 HydrophobicContact CB-CD1 4.33Å; F193-L201 HydrophobicContact CD1-CD1 3.87Å; F193-W204 HydrophobicContact CD1-CB 3.74Å; F193-W204 HydrophobicContact CE1-CB 4.09Å; F193-W204 HydrophobicContact CE1-CG 4.5Å; F193-W204 HydrophobicContact CG-CB 4.45Å
194V96.6Very high94.7Very high4 Ų441.5 Ų41.52%0.02422%0.215CC..EExtended strand (participates in β ladder)trans-112.4120.2171-174.80000108H181 I182 V183 V202 R203 F224H181-V194 HydrophobicContact CB-CG1 3.62Å; I182-V194 CarbonylContact O-C 3.59Å; I182-V194 WeakPolarHBondContact O-CA 3.45Å; V183-V194 HydrophobicContact CG2-CB 4.49Å; V183-V194 HydrophobicContact CG2-CG1 4.25Å; V183-V194 HydrophobicContact CG2-CG2 4.09Å; V194-V202 HydrophobicContact CG1-CB 4.27Å; V194-V202 WeakPolarHBondContact O-CB 3.4Å; V194-V202 PolarHBondContact O-N 3.12Å; V194-R203 HydrophobicContact CB-CG 3.49Å; V194-R203 VanDerWaalsContact CB-CG 3.49Å; V194-R203 HydrophobicContact CG1-CG 4.2Å; V194-R203 HydrophobicContact CG2-CG 3.57Å; V194-R203 PolarHBondContact N-O 3.33Å; V194-R203 PolarHBondContact O-N 2.92Å; V194-F224 HydrophobicContact CG2-CE1 3.87Å; V194-F224 HydrophobicContact CG2-CZ 3.97Å
195I95.8Very high94.7Very high9 Ų942 Ų425%0.04622%0.217CC..EExtended strand (participates in β ladder)trans-123.1135.6-169.7-53.8164.6000107.8M150 I163 I165 I168 H181 I182 F193 E200 L201M150-I195 HydrophobicContact CE-CD1 4.41Å; I163-I195 HydrophobicContact CG2-CG2 4.15Å; I165-I195 HydrophobicContact CG2-CD1 3.93Å; I168-I195 HydrophobicContact CD1-CD1 4.13Å; H181-I195 CarbonylContact C-O 3.56Å; H181-I195 WeakPolarHBondContact CA-O 3.5Å; I182-I195 HydrophobicContact CB-CB 4.37Å; I182-I195 PolarHBondContact N-O 3.31Å; I182-I195 PolarHBondContact O-N 3.24Å; F193-I195 HydrophobicContact CB-CD1 4.36Å; F193-I195 HydrophobicContact CB-CG1 4.32Å; I195-E200 CarbonylContact C-O 3.5Å; I195-E200 WeakPolarHBondContact CA-O 3.32Å; I195-E200 WeakPolarHBondContact CG2-O 3.19Å; I195-L201 HydrophobicContact CG1-CD1 4.45Å
196S94.2Very high94.7Very high12 Ų1245.6 Ų45.68%0.08424%0.236CC..  trans-67.1168.6174.686.90000110.3E198 G199 E200S196-E198 WeakPolarHBondContact CB-OE2 3.35Å; S196-E198 PolarHBondContact O-N 3.08Å; S196-E198 PolarHBondContact OG-N 2.86Å; S196-E198 VanDerWaalsContact OG-N 3.17Å; S196-E198 PolarHBondContact OG-OE2 2.93Å; S196-G199 PolarHBondContact O-N 3.39Å; S196-G199 VanDerWaalsContact O-N 3.17Å; S196-G199 PolarHBondContact OG-N 2.91Å; S196-E200 PolarHBondContact N-O 3.34Å; S196-E200 PolarHBondContact OG-N 3.06Å
197E91.5Very high94.7Very high30 Ų3045.5 Ų45.514%0.1424%0.236CC..THydrogen-bonded Turntrans-58.2-42173.8-162.6-161.3122.200110M132 N135 K137 I152 R161 I163 G199M132-E197 HydrophobicContact CE-CB 3.86Å; M132-E197 HydrophobicContact CE-CG 3.46Å; M132-E197 VanDerWaalsContact CE-CG 3.46Å; M132-E197 HydrophobicContact SD-CG 3.63Å; N135-E197 PolarHBondContact ND2-OE2 2.87Å; K137-E197 IonicContact NZ-OE1 3.77Å; K137-E197 PolarHBondContact NZ-OE1 3.29Å; K137-E197 IonicContact NZ-OE2 2.78Å; K137-E197 PolarHBondContact NZ-OE2 3.45Å; I152-E197 HydrophobicContact CD1-CG 3.92Å; R161-E197 PolarHBondContact NH1-O 2.91Å; R161-E197 VanDerWaalsContact NH2-C 3.25Å; R161-E197 VanDerWaalsContact NH2-CG 3.34Å; R161-E197 PolarHBondContact NH2-O 2.75Å; R161-E197 IonicContact NH2-OE1 2.63Å; R161-E197 PolarHBondContact NH2-OE1 2.64Å; I163-E197 WeakPolarHBondContact CD1-O 3.31Å; E197-G199 PolarHBondContact O-N 3.37Å; E197-G199 VanDerWaalsContact O-N 3.12Å
198E90.3Very high94.9Very high127 Ų12746 Ų4659%0.59324%0.239SC*.THydrogen-bonded Turntrans-62.9-18-177.3-61.666.4-141.500112.9R161 S196R161-E198 PolarHBondContact NH1-O 3.46Å; S196-E198 WeakPolarHBondContact CB-OE2 3.35Å; S196-E198 PolarHBondContact O-N 3.08Å; S196-E198 PolarHBondContact OG-N 2.86Å; S196-E198 VanDerWaalsContact OG-N 3.17Å; S196-E198 PolarHBondContact OG-OE2 2.93Å
199G89.1Confident95.1Very high15 Ų1549.2 Ų49.216%0.15525%0.254CS..SBendtrans100.49.2-179.300000114S196 E197S196-G199 PolarHBondContact O-N 3.39Å; S196-G199 VanDerWaalsContact O-N 3.17Å; S196-G199 PolarHBondContact OG-N 2.91Å; E197-G199 PolarHBondContact O-N 3.37Å; E197-G199 VanDerWaalsContact O-N 3.12Å
200E91.8Very high95.3Very high135 Ų13550.7 Ų50.763%0.63125%0.252SS*.  trans-77.7136.9175.9-60.9-55.2142.300110.4I195 S196 V202I195-E200 CarbonylContact C-O 3.5Å; I195-E200 WeakPolarHBondContact CA-O 3.32Å; I195-E200 WeakPolarHBondContact CG2-O 3.19Å; S196-E200 PolarHBondContact N-O 3.34Å; S196-E200 PolarHBondContact OG-N 3.06Å; E200-V202 PolarHBondContact O-N 2.86Å; E200-V202 VanDerWaalsContact O-N 3.17Å
201L94.1Very high95.3Very high66 Ų6650.6 Ų50.635%0.34625%0.249SC..EExtended strand (participates in β ladder)trans-72.9109.2174.4-178.661.9000109Y167 F193 I195 R203 W204Y167-L201 HydrophobicContact CD2-CD2 4.42Å; Y167-L201 HydrophobicContact CE2-CD2 4.37Å; F193-L201 HydrophobicContact CB-CD1 4.33Å; F193-L201 HydrophobicContact CD1-CD1 3.87Å; I195-L201 HydrophobicContact CG1-CD1 4.45Å; L201-R203 WeakPolarHBondContact CD1-O 3.44Å; L201-W204 HydrophobicContact CD1-CB 4.39Å
202V94.6Very high95.3Very high68 Ų6859 Ų5941%0.41228%0.281SS..EExtended strand (participates in β ladder)trans-78.7-45.5179.8179.10000110.1V194 E200V194-V202 HydrophobicContact CG1-CB 4.27Å; V194-V202 WeakPolarHBondContact O-CB 3.4Å; V194-V202 PolarHBondContact O-N 3.12Å; E200-V202 PolarHBondContact O-N 2.86Å; E200-V202 VanDerWaalsContact O-N 3.17Å
203R94.5Very high95.2Very high95 Ų9561.9 Ų61.936%0.35829%0.294SS..EExtended strand (participates in β ladder)trans-164.9165.1178.155172.521144.1-18.7110.4V194 L201 D239V194-R203 HydrophobicContact CB-CG 3.49Å; V194-R203 VanDerWaalsContact CB-CG 3.49Å; V194-R203 HydrophobicContact CG1-CG 4.2Å; V194-R203 HydrophobicContact CG2-CG 3.57Å; V194-R203 PolarHBondContact N-O 3.33Å; V194-R203 PolarHBondContact O-N 2.92Å; L201-R203 WeakPolarHBondContact CD1-O 3.44Å; R203-D239 WeakPolarHBondContact CD-O 3.22Å; R203-D239 IonicContact CZ-OD2 2.72Å; R203-D239 PolarHBondContact NE-O 3.45Å; R203-D239 IonicContact NH1-OD2 3.1Å; R203-D239 PolarHBondContact NH1-OD2 2.93Å; R203-D239 IonicContact NH2-OD2 3.58Å; R203-D239 PolarHBondContact NH2-OD2 3.27Å
204W96.8Very high95.2Very high105 Ų10561.8 Ų61.840%0.39829%0.294SS..EExtended strand (participates in β ladder)trans-151.3159.2170.364-81.2000109.5T191 V192 F193 L201 D206T191-W204 HydrophobicContact CG2-CB 4.42Å; T191-W204 HydrophobicContact CG2-CE3 3.77Å; V192-W204 CarbonylContact O-C 3.57Å; V192-W204 WeakPolarHBondContact O-CA 3.12Å; V192-W204 WeakPolarHBondContact O-CB 3.27Å; F193-W204 HydrophobicContact CD1-CB 3.74Å; F193-W204 HydrophobicContact CE1-CB 4.09Å; F193-W204 HydrophobicContact CE1-CG 4.5Å; F193-W204 HydrophobicContact CG-CB 4.45Å; L201-W204 HydrophobicContact CD1-CB 4.39Å; W204-D206 HydrophobicContact CZ3-CB 4.38Å
205F97.8Very high95.2Very high11 Ų1162.4 Ų62.45%0.04830%0.299CS..EExtended strand (participates in β ladder)trans-145.7140.7168.558.9-96000110.4T191 V192 C207 F224 F237T191-F205 WeakPolarHBondContact CA-O 3.07Å; T191-F205 WeakPolarHBondContact CG2-O 3.43Å; V192-F205 HydrophobicContact CB-CD1 4.15Å; V192-F205 HydrophobicContact CB-CD2 4.13Å; V192-F205 HydrophobicContact CB-CE1 3.68Å; V192-F205 HydrophobicContact CB-CE2 3.67Å; V192-F205 HydrophobicContact CB-CG 4.36Å; V192-F205 HydrophobicContact CB-CZ 3.43Å; V192-F205 VanDerWaalsContact CB-CZ 3.43Å; V192-F205 HydrophobicContact CG1-CE1 3.77Å; V192-F205 HydrophobicContact CG1-CE2 4.46Å; V192-F205 HydrophobicContact CG1-CZ 3.74Å; V192-F205 HydrophobicContact CG2-CD2 4.23Å; V192-F205 HydrophobicContact CG2-CE1 4.27Å; V192-F205 HydrophobicContact CG2-CE2 3.46Å; V192-F205 VanDerWaalsContact CG2-CE2 3.46Å; V192-F205 HydrophobicContact CG2-CZ 3.49Å; V192-F205 VanDerWaalsContact CG2-CZ 3.49Å; V192-F205 PolarHBondContact N-O 3.19Å; V192-F205 PolarHBondContact O-N 3.2Å; F205-C207 HydrophobicContact CD2-CB 4.43Å; F205-C207 HydrophobicContact CE2-CB 4.4Å; F205-F224 HydrophobicContact CE1-CD1 4.31Å; F205-F224 HydrophobicContact CE1-CG 4.35Å; F205-F224 HydrophobicContact CZ-CB 4.18Å; F205-F224 HydrophobicContact CZ-CD1 4.32Å; F205-F224 HydrophobicContact CZ-CG 4.21Å; F205-F237 HydrophobicContact CE2-CB 3.86Å; F205-F237 HydrophobicContact CE2-CD1 4.05Å; F205-F237 HydrophobicContact CE2-CD2 4.1Å; F205-F237 AromaticContact CE2-CG 3.74Å; F205-F237 HydrophobicContact CE2-CG 3.74Å; F205-F237 HydrophobicContact CZ-CB 3.86Å; F205-F237 HydrophobicContact CZ-CG 4.2Å
206D97Very high95.3Very high76 Ų7662.4 Ų62.441%0.40630%0.299SS..EExtended strand (participates in β ladder)trans-72136.7172-173102.2000109.4W204 S208W204-D206 HydrophobicContact CZ3-CB 4.38Å; D206-S208 PolarHBondContact OD1-OG 3.08Å; D206-S208 VanDerWaalsContact OD2-CB 3.29Å; D206-S208 WeakPolarHBondContact OD2-CB 3.3Å; D206-S208 PolarHBondContact OD2-N 2.83Å; D206-S208 PolarHBondContact OD2-OG 2.98Å
207C97.1Very high95.5Very high0 Ų061.9 Ų61.90%030%0.295CS..  trans-129.218.4174.162.60000112.5P190 F205 D209 Y210 M211 F237P190-C207 CarbonylContact O-C 3.46Å; P190-C207 PolarHBondContact O-N 2.98Å; P190-C207 PolarHBondContact O-SG 3.22Å; P190-C207 VanDerWaalsContact O-SG 3.36Å; F205-C207 HydrophobicContact CD2-CB 4.43Å; F205-C207 HydrophobicContact CE2-CB 4.4Å; C207-D209 PolarHBondContact O-N 2.81Å; C207-Y210 CarbonylContact O-C 3.54Å; C207-Y210 WeakPolarHBondContact O-CA 3.31Å; C207-Y210 PolarHBondContact O-N 3.47Å; C207-M211 HydrophobicContact CB-CG 4.26Å; C207-M211 WeakPolarHBondContact O-CB 3.28Å; C207-M211 WeakPolarHBondContact O-CG 3.16Å; C207-M211 PolarHBondContact O-N 2.98Å; C207-M211 VanDerWaalsContact O-N 3.16Å; C207-F237 HydrophobicContact CB-CE1 4Å; C207-F237 HydrophobicContact CB-CE2 4.17Å; C207-F237 HydrophobicContact CB-CZ 3.64Å
208S96.8Very high95.7Very high48 Ų4860.6 Ų60.634%0.33629%0.29SS..G310 helixtrans-62.5-38.4-174.665.70000113P190 D206 Y210 M211P190-S208 PolarHBondContact O-N 3.37Å; D206-S208 PolarHBondContact OD1-OG 3.08Å; D206-S208 VanDerWaalsContact OD2-CB 3.29Å; D206-S208 WeakPolarHBondContact OD2-CB 3.3Å; D206-S208 PolarHBondContact OD2-N 2.83Å; D206-S208 PolarHBondContact OD2-OG 2.98Å; S208-Y210 PolarHBondContact O-N 2.91Å; S208-Y210 VanDerWaalsContact O-N 3.08Å; S208-M211 PolarHBondContact O-N 2.82Å
209D97.2Very high96Very high145 Ų14556.3 Ų56.378%0.77527%0.271SS*.G310 helixtrans-62.2-18.8174.6-73.2-26.4000113.2C207C207-D209 PolarHBondContact O-N 2.81Å
210Y97.5Very high96.2Very high87 Ų8757.5 Ų57.534%0.34127%0.27SS..G310 helixtrans-110.3-1.8-177.2-56.8-80000113.7C207 S208 F237 F243 R246C207-Y210 CarbonylContact O-C 3.54Å; C207-Y210 WeakPolarHBondContact O-CA 3.31Å; C207-Y210 PolarHBondContact O-N 3.47Å; S208-Y210 PolarHBondContact O-N 2.91Å; S208-Y210 VanDerWaalsContact O-N 3.08Å; Y210-F237 AromaticContact CD2-CE1 3.68Å; Y210-F237 HydrophobicContact CD2-CE1 3.68Å; Y210-F237 HydrophobicContact CD2-CZ 4.09Å; Y210-F237 HydrophobicContact CE2-CE1 4.25Å; Y210-F237 HydrophobicContact CG-CE1 4.03Å; Y210-F237 HydrophobicContact CG-CZ 4.07Å; Y210-F243 HydrophobicContact CD1-CB 4.3Å; Y210-F243 HydrophobicContact CD1-CD1 4.17Å; Y210-F243 AromaticContact CD1-CD2 3.53Å; Y210-F243 HydrophobicContact CD1-CD2 3.53Å; Y210-F243 HydrophobicContact CD1-CE1 4.43Å; Y210-F243 AromaticContact CD1-CE2 3.82Å; Y210-F243 HydrophobicContact CD1-CE2 3.82Å; Y210-F243 AromaticContact CD1-CG 3.72Å; Y210-F243 HydrophobicContact CD1-CG 3.72Å; Y210-F243 HydrophobicContact CD1-CZ 4.26Å; Y210-F243 HydrophobicContact CD2-CB 4.43Å; Y210-F243 HydrophobicContact CE1-CB 3.75Å; Y210-F243 AromaticContact CE1-CD1 3.6Å; Y210-F243 HydrophobicContact CE1-CD1 3.6Å; Y210-F243 AromaticContact CE1-CD2 3.74Å; Y210-F243 HydrophobicContact CE1-CD2 3.74Å; Y210-F243 HydrophobicContact CE1-CE1 4.11Å; Y210-F243 HydrophobicContact CE1-CE2 4.24Å; Y210-F243 AromaticContact CE1-CG 3.38Å; Y210-F243 HydrophobicContact CE1-CG 3.38Å; Y210-F243 HydrophobicContact CE1-CZ 4.4Å; Y210-F243 HydrophobicContact CE2-CB 3.89Å; Y210-F243 HydrophobicContact CE2-CG 4.36Å; Y210-F243 AromaticContact CG-CD2 3.96Å; Y210-F243 HydrophobicContact CG-CD2 3.96Å; Y210-F243 HydrophobicContact CG-CE2 4.47Å; Y210-F243 HydrophobicContact CG-CG 4.34Å; Y210-F243 AromaticContact CZ-CG 3.74Å; Y210-R246 VanDerWaalsContact CA-NH2 3.27Å; Y210-R246 VanDerWaalsContact O-CZ 3.31Å; Y210-R246 PolarHBondContact O-NH1 3.34Å; Y210-R246 PolarHBondContact O-NH2 3.04Å
211M96.8Very high96.1Very high16 Ų1656.7 Ų56.78%0.07927%0.27CS..  trans-126.3131.3-171.1-70.9-65.3161.500112.2P190 C207 S208 P214 V226 D228 A235 F237P190-M211 HydrophobicContact CB-CB 3.65Å; P190-M211 HydrophobicContact CB-CG 4.06Å; P190-M211 HydrophobicContact CG-CB 4.03Å; C207-M211 HydrophobicContact CB-CG 4.26Å; C207-M211 WeakPolarHBondContact O-CB 3.28Å; C207-M211 WeakPolarHBondContact O-CG 3.16Å; C207-M211 PolarHBondContact O-N 2.98Å; C207-M211 VanDerWaalsContact O-N 3.16Å; S208-M211 PolarHBondContact O-N 2.82Å; M211-P214 HydrophobicContact SD-CB 4.41Å; M211-V226 HydrophobicContact CE-CB 3.44Å; M211-V226 VanDerWaalsContact CE-CB 3.44Å; M211-V226 HydrophobicContact CE-CG1 3.4Å; M211-V226 VanDerWaalsContact CE-CG1 3.4Å; M211-V226 HydrophobicContact CE-CG2 4.42Å; M211-V226 HydrophobicContact SD-CG1 4Å; M211-D228 HydrophobicContact SD-CB 3.77Å; M211-A235 HydrophobicContact CE-CB 3.58Å; M211-F237 HydrophobicContact CE-CE2 3.78Å; M211-F237 HydrophobicContact CE-CZ 4.16Å
212R96.9Very high96Very high180 Ų18057.5 Ų57.568%0.67928%0.275SS*.SBendtrans-93.4-46.5166-60.9-176.4-169.4169.4-1.2112D228 K230R212-D228 PolarHBondContact N-OD1 3.45Å; R212-D228 PolarHBondContact N-OD2 2.73Å; R212-K230 HydrophobicContact CB-CB 3.67Å; R212-K230 WeakPolarHBondContact CD-O 3.04Å; R212-K230 PolarHBondContact NH1-O 3.43Å
213E96.5Very high96Very high62 Ų6255 Ų5529%0.2926%0.26SS..SBendtrans-155.798.1177.9-172.6171.5148.300110.1D228 F229 K230E213-D228 PolarHBondContact N-OD1 2.99Å; E213-D228 CarbonylContact O-C 3.51Å; E213-F229 HydrophobicContact CB-CB 4.35Å; E213-F229 HydrophobicContact CG-CB 4.43Å; E213-F229 WeakPolarHBondContact O-CB 3.32Å; E213-F229 PolarHBondContact O-N 2.72Å; E213-K230 HydrophobicContact CB-CB 3.94Å; E213-K230 HydrophobicContact CB-CD 4.14Å; E213-K230 HydrophobicContact CB-CG 3.95Å; E213-K230 WeakPolarHBondContact OE2-CD 3.45Å; E213-K230 WeakPolarHBondContact OE2-CE 3.4Å; E213-K230 WeakPolarHBondContact OE2-CG 3.49Å; E213-K230 IonicContact OE2-NZ 2.99Å; E213-K230 PolarHBondContact OE2-NZ 2.88Å
214P97.1Very high96.2Very high6 Ų650.9 Ų50.94%0.03924%0.244CC..EExtended strand (participates in β ladder)trans-67.6141.7-179.628.5-34.3000111.3A172 V185 P190 M211 V226 C227A172-P214 HydrophobicContact CB-CB 4.3Å; A172-P214 HydrophobicContact CB-CG 4.25Å; A172-P214 WeakPolarHBondContact CB-O 3.47Å; V185-P214 HydrophobicContact CG1-CB 3.7Å; V185-P214 HydrophobicContact CG1-CG 4.06Å; P190-P214 HydrophobicContact CB-CG 4.43Å; M211-P214 HydrophobicContact SD-CB 4.41Å; P214-V226 HydrophobicContact CB-CG1 4.23Å; P214-C227 CarbonylContact C-O 3.56Å; P214-C227 VanDerWaalsContact CA-O 3.23Å; P214-C227 WeakPolarHBondContact CA-O 3.23Å
215S96.2Very high96.3Very high17 Ų1745.9 Ų45.912%0.11923%0.225CC..EExtended strand (participates in β ladder)trans-127.8-28.5-176.154.80000115.7K128 A172 C227 P256K128-S215 PolarHBondContact NZ-O 3.29Å; A172-S215 CarbonylContact O-C 3.57Å; S215-C227 PolarHBondContact N-O 3.34Å; S215-C227 VanDerWaalsContact OG-CB 3.24Å; S215-C227 WeakPolarHBondContact OG-CB 3.42Å; S215-P256 PolarHBondContact OG-O 2.8Å
216D97.3Very high96.3Very high9 Ų945.3 Ų45.35%0.04822%0.223CC..EExtended strand (participates in β ladder)trans-162.4170.5178.9-153.516.1000111.4K128 C227 I259K128-D216 IonicContact NZ-OD1 2.68Å; D216-C227 HydrophobicContact CB-CB 4.3Å; D216-C227 PolarHBondContact O-N 2.87Å; D216-I259 HydrophobicContact CB-CG2 4.14Å; D216-I259 PolarHBondContact OD2-N 2.63Å
217I98.1Very high96.4Very high1 Ų141.7 Ų41.71%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-143.8142.1178.5-170.5172000111.9A175 V183 V185 V192 I219 F224 Y225 V226A175-I217 HydrophobicContact CB-CG2 3.93Å; V183-I217 HydrophobicContact CG1-CD1 3.71Å; V185-I217 HydrophobicContact CG2-CB 3.84Å; V185-I217 HydrophobicContact CG2-CD1 3.62Å; V185-I217 HydrophobicContact CG2-CG1 4.25Å; V185-I217 HydrophobicContact CG2-CG2 4.06Å; V192-I217 HydrophobicContact CG1-CD1 4.31Å; I217-I219 HydrophobicContact CD1-CG1 4.37Å; I217-I219 HydrophobicContact CG1-CG1 4.34Å; I217-F224 HydrophobicContact CD1-CD1 4.1Å; I217-Y225 WeakPolarHBondContact CA-O 2.91Å; I217-V226 HydrophobicContact CD1-CG2 3.91Å; I217-V226 HydrophobicContact CG1-CG2 4.09Å
218A97.6Very high96.4Very high4 Ų441.8 Ų41.83%0.03320%0.204CC..EExtended strand (participates in β ladder)trans-126.7154.5163.700000110.2Y225 I259 I261A218-Y225 PolarHBondContact N-O 3.48Å; A218-Y225 PolarHBondContact O-N 3.37Å; A218-I259 HydrophobicContact CB-CB 4.41Å; A218-I259 HydrophobicContact CB-CD1 4.18Å; A218-I259 HydrophobicContact CB-CG1 3.93Å; A218-I259 HydrophobicContact CB-CG2 3.85Å; A218-I261 HydrophobicContact CB-CD1 3.73Å; A218-I261 HydrophobicContact CB-CG1 3.81Å
219I96.3Very high96.4Very high36 Ų3641 Ų4119%0.18519%0.194CC..EExtended strand (participates in β ladder)trans-135.1135.5-175.4-54.6168.3000108.2A175 T177 V183 I217 F224A175-I219 HydrophobicContact CB-CD1 3.85Å; A175-I219 HydrophobicContact CB-CG1 4.29Å; T177-I219 HydrophobicContact CG2-CD1 3.91Å; T177-I219 HydrophobicContact CG2-CG2 4.25Å; V183-I219 HydrophobicContact CB-CD1 3.49Å; V183-I219 VanDerWaalsContact CB-CD1 3.49Å; V183-I219 HydrophobicContact CG1-CD1 3.83Å; V183-I219 HydrophobicContact CG2-CD1 3.37Å; I217-I219 HydrophobicContact CD1-CG1 4.37Å; I217-I219 HydrophobicContact CG1-CG1 4.34Å; I219-F224 HydrophobicContact CD1-CD1 4.28Å; I219-F224 HydrophobicContact CD1-CE1 4.1Å; I219-F224 HydrophobicContact CG1-CD1 4.2Å; I219-F224 HydrophobicContact CG1-CE1 4.44Å
220R92.9Very high96.4Very high40 Ų4038.2 Ų38.215%0.15118%0.175CC..EExtended strand (participates in β ladder)trans-142.9131.2170.7176.9172.251.7130.7-15.8109.4N222 D223 Y225 I261 G265R220-N222 PolarHBondContact O-N 2.87Å; R220-N222 VanDerWaalsContact O-N 3.08Å; R220-D223 PolarHBondContact N-O 2.81Å; R220-D223 VanDerWaalsContact N-O 3.09Å; R220-D223 PolarHBondContact O-N 3.28Å; R220-Y225 HydrophobicContact CB-CE2 4.48Å; R220-Y225 PolarHBondContact NH2-OH 3.34Å; R220-I261 HydrophobicContact CB-CD1 3.85Å; R220-I261 HydrophobicContact CB-CG2 4.29Å; R220-G265 PolarHBondContact NH2-O 2.85Å
221D89.2Confident96.3Very high118 Ų11834.8 Ų34.863%0.63117%0.167SC*.THydrogen-bonded Turntrans53.4-111.4-174.1-51.9-39.4000110.9R284D221-R284 IonicContact OD2-NH1 3.8Å; D221-R284 IonicContact OD2-NH2 2.68Å
222N91.3Very high96.4Very high83 Ų8335.5 Ų35.544%0.44417%0.17SC..THydrogen-bonded Turntrans-110.35.5176.5-66.6-17.1000112.9R220 F224 Q238 D239R220-N222 PolarHBondContact O-N 2.87Å; R220-N222 VanDerWaalsContact O-N 3.08Å; N222-F224 WeakPolarHBondContact O-CD2 3.35Å; N222-Q238 CarbonylContact O-C 3.54Å; N222-D239 HydrophobicContact CB-CB 4.33Å; N222-D239 PolarHBondContact O-N 2.86Å
223D96.3Very high96.4Very high16 Ų1627.2 Ų27.29%0.08614%0.14CC..EExtended strand (participates in β ladder)trans-98.8131.3-177-61-21.3000110.4R220 Y225 V236 F237 R284R220-D223 PolarHBondContact N-O 2.81Å; R220-D223 VanDerWaalsContact N-O 3.09Å; R220-D223 PolarHBondContact O-N 3.28Å; D223-Y225 HydrophobicContact CB-CD2 4.28Å; D223-Y225 HydrophobicContact CB-CE2 3.45Å; D223-Y225 VanDerWaalsContact CB-CE2 3.45Å; D223-V236 HydrophobicContact CB-CG1 4.29Å; D223-F237 CarbonylContact C-O 3.48Å; D223-F237 WeakPolarHBondContact CA-O 3.34Å; D223-R284 IonicContact OD2-CZ 3.82Å; D223-R284 IonicContact OD2-NE 3.85Å; D223-R284 IonicContact OD2-NH2 3.6Å; D223-R284 PolarHBondContact OD2-NH2 2.96Å
224F98.1Very high96.5Very high8 Ų824.3 Ų24.34%0.03513%0.126CC..EExtended strand (participates in β ladder)trans-108.8116.4-178.5-70.4-113.5000108.9V183 V192 V194 F205 I217 I219 N222 V236 F237 D239V183-F224 HydrophobicContact CB-CE1 4.47Å; V183-F224 HydrophobicContact CG1-CD1 4.02Å; V183-F224 HydrophobicContact CG1-CE1 3.71Å; V183-F224 HydrophobicContact CG2-CE1 3.96Å; V192-F224 HydrophobicContact CG1-CD1 3.84Å; V192-F224 HydrophobicContact CG1-CE1 4.1Å; V194-F224 HydrophobicContact CG2-CE1 3.87Å; V194-F224 HydrophobicContact CG2-CZ 3.97Å; F205-F224 HydrophobicContact CE1-CD1 4.31Å; F205-F224 HydrophobicContact CE1-CG 4.35Å; F205-F224 HydrophobicContact CZ-CB 4.18Å; F205-F224 HydrophobicContact CZ-CD1 4.32Å; F205-F224 HydrophobicContact CZ-CG 4.21Å; I217-F224 HydrophobicContact CD1-CD1 4.1Å; I219-F224 HydrophobicContact CD1-CD1 4.28Å; I219-F224 HydrophobicContact CD1-CE1 4.1Å; I219-F224 HydrophobicContact CG1-CD1 4.2Å; I219-F224 HydrophobicContact CG1-CE1 4.44Å; N222-F224 WeakPolarHBondContact O-CD2 3.35Å; F224-V236 WeakPolarHBondContact O-CA 3.39Å; F224-F237 HydrophobicContact CB-CB 4.38Å; F224-F237 PolarHBondContact N-O 2.88Å; F224-F237 PolarHBondContact O-N 2.81Å; F224-D239 HydrophobicContact CD2-CB 4.4Å; F224-D239 HydrophobicContact CE2-CB 3.62Å; F224-D239 HydrophobicContact CZ-CB 4.39Å
225Y98.5Very high96.6Very high0 Ų024 Ų240%012%0.124CC..EExtended strand (participates in β ladder)trans-106.9101.1-176.5-62.2-106.5000108.5I217 A218 R220 D223 V234 V236 I247 I261 V267I217-Y225 WeakPolarHBondContact CA-O 2.91Å; A218-Y225 PolarHBondContact N-O 3.48Å; A218-Y225 PolarHBondContact O-N 3.37Å; R220-Y225 HydrophobicContact CB-CE2 4.48Å; R220-Y225 PolarHBondContact NH2-OH 3.34Å; D223-Y225 HydrophobicContact CB-CD2 4.28Å; D223-Y225 HydrophobicContact CB-CE2 3.45Å; D223-Y225 VanDerWaalsContact CB-CE2 3.45Å; Y225-V234 HydrophobicContact CD1-CG1 4.35Å; Y225-V236 HydrophobicContact CD1-CB 4.45Å; Y225-V236 HydrophobicContact CD1-CG1 4.02Å; Y225-V236 HydrophobicContact CD1-CG2 3.64Å; Y225-V236 HydrophobicContact CE1-CG1 3.81Å; Y225-V236 HydrophobicContact CE1-CG2 3.82Å; Y225-V236 HydrophobicContact CE2-CG1 4.33Å; Y225-V236 HydrophobicContact CG-CG1 4.36Å; Y225-V236 HydrophobicContact CG-CG2 4.44Å; Y225-I247 HydrophobicContact CD1-CD1 4.12Å; Y225-I247 HydrophobicContact CE1-CD1 4Å; Y225-I261 HydrophobicContact CD1-CD1 4.44Å; Y225-I261 HydrophobicContact CD2-CD1 3.33Å; Y225-I261 HydrophobicContact CE2-CD1 3.56Å; Y225-I261 HydrophobicContact CG-CD1 3.83Å; Y225-V267 HydrophobicContact CD1-CG1 4.19Å; Y225-V267 HydrophobicContact CD1-CG2 4.04Å; Y225-V267 HydrophobicContact CE1-CG2 3.64Å
226V98.4Very high96.7Very high0 Ų023.2 Ų23.20%012%0.119CC..EExtended strand (participates in β ladder)trans-103.9119.8-175-175.20000109.3V185 V192 M211 P214 I217 V234 A235 F237V185-V226 HydrophobicContact CG1-CG1 4.1Å; V185-V226 HydrophobicContact CG2-CG1 4.29Å; V185-V226 HydrophobicContact CG2-CG2 4.49Å; V192-V226 HydrophobicContact CG2-CG2 4Å; M211-V226 HydrophobicContact CE-CB 3.44Å; M211-V226 VanDerWaalsContact CE-CB 3.44Å; M211-V226 HydrophobicContact CE-CG1 3.4Å; M211-V226 VanDerWaalsContact CE-CG1 3.4Å; M211-V226 HydrophobicContact CE-CG2 4.42Å; M211-V226 HydrophobicContact SD-CG1 4Å; P214-V226 HydrophobicContact CB-CG1 4.23Å; I217-V226 HydrophobicContact CD1-CG2 3.91Å; I217-V226 HydrophobicContact CG1-CG2 4.09Å; V226-V234 CarbonylContact O-C 3.57Å; V226-V234 WeakPolarHBondContact O-CA 3.45Å; V226-A235 PolarHBondContact N-O 2.89Å; V226-A235 PolarHBondContact O-N 3.36Å; V226-F237 HydrophobicContact CB-CE2 4.48Å; V226-F237 HydrophobicContact CG2-CD2 4.31Å; V226-F237 HydrophobicContact CG2-CE2 4.36Å
227C97.9Very high96.8Very high0 Ų022.8 Ų22.80%012%0.116CC..EExtended strand (participates in β ladder)trans-70.4131.5174.6-750000110.9P214 S215 D216 P256 I259P214-C227 CarbonylContact C-O 3.56Å; P214-C227 VanDerWaalsContact CA-O 3.23Å; P214-C227 WeakPolarHBondContact CA-O 3.23Å; S215-C227 PolarHBondContact N-O 3.34Å; S215-C227 VanDerWaalsContact OG-CB 3.24Å; S215-C227 WeakPolarHBondContact OG-CB 3.42Å; D216-C227 HydrophobicContact CB-CB 4.3Å; D216-C227 PolarHBondContact O-N 2.87Å; C227-P256 HydrophobicContact CB-CG 4.48Å; C227-I259 WeakPolarHBondContact SG-CB 3.28Å; C227-I259 VanDerWaalsContact SG-CG2 3.53Å
228D97.6Very high96.7Very high2 Ų226.2 Ų26.21%0.01113%0.132CC..EExtended strand (participates in β ladder)trans-109.6104.1169.7-173.8-6.6000109.6M211 R212 E213 K230 G231 H232 C233 P256M211-D228 HydrophobicContact SD-CB 3.77Å; R212-D228 PolarHBondContact N-OD1 3.45Å; R212-D228 PolarHBondContact N-OD2 2.73Å; E213-D228 PolarHBondContact N-OD1 2.99Å; E213-D228 CarbonylContact O-C 3.51Å; D228-K230 PolarHBondContact OD1-N 2.9Å; D228-G231 VanDerWaalsContact CG-CA 3.45Å; D228-G231 PolarHBondContact O-N 3.37Å; D228-G231 PolarHBondContact OD1-N 3.45Å; D228-G231 WeakPolarHBondContact OD2-CA 3.37Å; D228-G231 PolarHBondContact OD2-N 2.68Å; D228-H232 PolarHBondContact O-N 3.04Å; D228-C233 PolarHBondContact N-O 2.87Å; D228-C233 PolarHBondContact O-N 3.47Å; D228-P256 WeakPolarHBondContact O-CG 3.42Å
229F96.5Very high96.4Very high30 Ų3027.9 Ų27.913%0.13214%0.141CC..THydrogen-bonded Turntrans-58.4-53.5-179.2-179.6-104.1000111.7E213 G231 H232 F255 N257E213-F229 HydrophobicContact CB-CB 4.35Å; E213-F229 HydrophobicContact CG-CB 4.43Å; E213-F229 WeakPolarHBondContact O-CB 3.32Å; E213-F229 PolarHBondContact O-N 2.72Å; F229-G231 VanDerWaalsContact C-N 3.34Å; F229-H232 PolarHBondContact O-N 2.91Å; F229-F255 HydrophobicContact CD1-CD1 4.09Å; F229-F255 HydrophobicContact CD2-CB 3.82Å; F229-F255 HydrophobicContact CD2-CD1 4.45Å; F229-F255 AromaticContact CE1-CD1 3.69Å; F229-F255 HydrophobicContact CE1-CD1 3.69Å; F229-F255 HydrophobicContact CE1-CE1 4.35Å; F229-F255 HydrophobicContact CE2-CB 3.46Å; F229-F255 VanDerWaalsContact CE2-CB 3.46Å; F229-F255 HydrophobicContact CE2-CD1 4.13Å; F229-F255 HydrophobicContact CE2-CG 4.23Å; F229-F255 HydrophobicContact CG-CD1 4.44Å; F229-F255 HydrophobicContact CZ-CB 3.86Å; F229-F255 AromaticContact CZ-CD1 3.71Å; F229-F255 HydrophobicContact CZ-CD1 3.71Å; F229-F255 HydrophobicContact CZ-CG 4.14Å; F229-F255 WeakPolarHBondContact O-CA 3.32Å; F229-N257 WeakPolarHBondContact CD2-OD1 3.31Å; F229-N257 WeakPolarHBondContact CE2-ND2 3.21Å; F229-N257 VanDerWaalsContact CE2-OD1 3.32Å; F229-N257 WeakPolarHBondContact CE2-OD1 3.39Å
230K96.7Very high96.3Very high87 Ų8730.5 Ų30.538%0.37816%0.155SC..THydrogen-bonded Turntrans-80.3-16.2179.7-80.4-174.2175.1140.10113.3R212 E213 D228R212-K230 HydrophobicContact CB-CB 3.67Å; R212-K230 WeakPolarHBondContact CD-O 3.04Å; R212-K230 PolarHBondContact NH1-O 3.43Å; E213-K230 HydrophobicContact CB-CB 3.94Å; E213-K230 HydrophobicContact CB-CD 4.14Å; E213-K230 HydrophobicContact CB-CG 3.95Å; E213-K230 WeakPolarHBondContact OE2-CD 3.45Å; E213-K230 WeakPolarHBondContact OE2-CE 3.4Å; E213-K230 WeakPolarHBondContact OE2-CG 3.49Å; E213-K230 IonicContact OE2-NZ 2.99Å; E213-K230 PolarHBondContact OE2-NZ 2.88Å; D228-K230 PolarHBondContact OD1-N 2.9Å
231G97.3Very high96.5Very high16 Ų1629.4 Ų29.417%0.16516%0.156CC..THydrogen-bonded Turntrans-82.8-10.2171.400000114.1D228 F229 C233D228-G231 VanDerWaalsContact CG-CA 3.45Å; D228-G231 PolarHBondContact O-N 3.37Å; D228-G231 PolarHBondContact OD1-N 3.45Å; D228-G231 WeakPolarHBondContact OD2-CA 3.37Å; D228-G231 PolarHBondContact OD2-N 2.68Å; F229-G231 VanDerWaalsContact C-N 3.34Å; G231-C233 PolarHBondContact O-N 3.3Å; G231-C233 PolarHBondContact O-SG 2.98Å; G231-C233 VanDerWaalsContact O-SG 3.4Å
232H97.7Very high96.9Very high30 Ų3026.9 Ų26.914%0.13915%0.145CC..THydrogen-bonded Turntrans54.131.8-176.9-45.8-70.5000113.9D228 F229 N249 E250 T253 F255D228-H232 PolarHBondContact O-N 3.04Å; F229-H232 PolarHBondContact O-N 2.91Å; H232-N249 CarbonylContact O-C 3.58Å; H232-N249 VanDerWaalsContact O-CA 3.26Å; H232-N249 WeakPolarHBondContact O-CA 3.28Å; H232-N249 PolarHBondContact O-N 3.28Å; H232-E250 HydrophobicContact CB-CB 4.14Å; H232-T253 CarbonylContact C-O 3.55Å; H232-T253 VanDerWaalsContact C-O 3.29Å; H232-T253 WeakPolarHBondContact CA-O 3.4Å; H232-T253 WeakPolarHBondContact CB-O 3.22Å; H232-T253 VanDerWaalsContact O-O 3.06Å; H232-T253 PolarHBondContact O-OG1 3.46Å; H232-F255 AromaticContact CE1-CD1 3.65Å; H232-F255 AromaticContact CE1-CD2 3.75Å; H232-F255 AromaticContact CE1-CE1 3.45Å; H232-F255 VanDerWaalsContact CE1-CE1 3.45Å; H232-F255 WeakPolarHBondContact CE1-CE1 3.41Å; H232-F255 AromaticContact CE1-CE2 3.55Å; H232-F255 AromaticContact CE1-CG 3.82Å; H232-F255 AromaticContact CE1-CZ 3.43Å; H232-F255 VanDerWaalsContact CE1-CZ 3.43Å; H232-F255 WeakPolarHBondContact CE1-CZ 3.33Å; H232-F255 AromaticContact ND1-CD1 3.89Å; H232-F255 AromaticContact ND1-CD2 3.83Å; H232-F255 AromaticContact ND1-CG 3.75Å; H232-F255 PolarHBondContact ND1-N 2.76Å
233C98Very high97.2Very high7 Ų725.8 Ų25.85%0.04714%0.137CC..EExtended strand (participates in β ladder)trans-153.2180-17464.80000111.5D228 G231 R246 I247D228-C233 PolarHBondContact N-O 2.87Å; D228-C233 PolarHBondContact O-N 3.47Å; G231-C233 PolarHBondContact O-N 3.3Å; G231-C233 PolarHBondContact O-SG 2.98Å; G231-C233 VanDerWaalsContact O-SG 3.4Å; C233-R246 PolarHBondContact SG-NH1 3.4Å; C233-R246 VanDerWaalsContact SG-NH1 3.35Å; C233-I247 CarbonylContact C-O 3.53Å; C233-I247 WeakPolarHBondContact CA-O 3.36Å; C233-I247 VanDerWaalsContact CB-O 3.31Å; C233-I247 WeakPolarHBondContact CB-O 3.43Å
234V98.5Very high97.3Very high0 Ų027.9 Ų27.90%015%0.147CC..EExtended strand (participates in β ladder)trans-118.3129.2169172.90000107.5Y225 V226 R246 I247 I259 I269Y225-V234 HydrophobicContact CD1-CG1 4.35Å; V226-V234 CarbonylContact O-C 3.57Å; V226-V234 WeakPolarHBondContact O-CA 3.45Å; V234-R246 CarbonylContact O-C 3.56Å; V234-R246 VanDerWaalsContact O-CA 3.25Å; V234-R246 WeakPolarHBondContact O-CA 3.22Å; V234-I247 HydrophobicContact CB-CB 4.38Å; V234-I247 PolarHBondContact N-O 3.45Å; V234-I247 PolarHBondContact O-N 3.4Å; V234-I259 HydrophobicContact CB-CD1 4.49Å; V234-I259 HydrophobicContact CG1-CD1 3.79Å; V234-I259 HydrophobicContact CG2-CD1 3.88Å; V234-I269 HydrophobicContact CB-CD1 4.13Å; V234-I269 HydrophobicContact CG2-CD1 3.48Å; V234-I269 VanDerWaalsContact CG2-CD1 3.48Å; V234-I269 HydrophobicContact CG2-CG1 3.85Å; V234-I269 HydrophobicContact CG2-CG2 4.25Å
235A98.3Very high97.2Very high0 Ų030.6 Ų30.60%016%0.158CC..EExtended strand (participates in β ladder)trans-96.2136.6169.700000109.6M211 V226 F237 F243M211-A235 HydrophobicContact CE-CB 3.58Å; V226-A235 PolarHBondContact N-O 2.89Å; V226-A235 PolarHBondContact O-N 3.36Å; A235-F237 HydrophobicContact CB-CD2 4.48Å; A235-F237 HydrophobicContact CB-CE2 3.52Å; A235-F237 HydrophobicContact CB-CZ 3.77Å; A235-F243 HydrophobicContact CB-CE2 4.14Å
236V98.4Very high97.2Very high0 Ų035.3 Ų35.30%018%0.176CC..EExtended strand (participates in β ladder)trans-109.6129.4-177.1-166.90000109.4D223 F224 Y225 L244 Y245 I247D223-V236 HydrophobicContact CB-CG1 4.29Å; F224-V236 WeakPolarHBondContact O-CA 3.39Å; Y225-V236 HydrophobicContact CD1-CB 4.45Å; Y225-V236 HydrophobicContact CD1-CG1 4.02Å; Y225-V236 HydrophobicContact CD1-CG2 3.64Å; Y225-V236 HydrophobicContact CE1-CG1 3.81Å; Y225-V236 HydrophobicContact CE1-CG2 3.82Å; Y225-V236 HydrophobicContact CE2-CG1 4.33Å; Y225-V236 HydrophobicContact CG-CG1 4.36Å; Y225-V236 HydrophobicContact CG-CG2 4.44Å; V236-L244 HydrophobicContact CG1-CD1 4.17Å; V236-L244 PolarHBondContact O-N 3.34Å; V236-Y245 HydrophobicContact CB-CE1 4.48Å; V236-Y245 HydrophobicContact CB-CE2 4.35Å; V236-Y245 HydrophobicContact CG1-CE1 4.5Å; V236-Y245 HydrophobicContact CG2-CD2 4.12Å; V236-Y245 HydrophobicContact CG2-CE2 3.82Å; V236-Y245 PolarHBondContact N-O 3.26Å; V236-I247 HydrophobicContact CG2-CD1 3.9Å; V236-I247 HydrophobicContact CG2-CG1 4.03Å
237F98.4Very high97.2Very high0 Ų035.4 Ų35.40%018%0.176CC..EExtended strand (participates in β ladder)trans-127152.4-179.7-55.3-93.9000110.8F205 C207 Y210 M211 D223 F224 V226 A235 T242 F243F205-F237 HydrophobicContact CE2-CB 3.86Å; F205-F237 HydrophobicContact CE2-CD1 4.05Å; F205-F237 HydrophobicContact CE2-CD2 4.1Å; F205-F237 AromaticContact CE2-CG 3.74Å; F205-F237 HydrophobicContact CE2-CG 3.74Å; F205-F237 HydrophobicContact CZ-CB 3.86Å; F205-F237 HydrophobicContact CZ-CG 4.2Å; C207-F237 HydrophobicContact CB-CE1 4Å; C207-F237 HydrophobicContact CB-CE2 4.17Å; C207-F237 HydrophobicContact CB-CZ 3.64Å; Y210-F237 AromaticContact CD2-CE1 3.68Å; Y210-F237 HydrophobicContact CD2-CE1 3.68Å; Y210-F237 HydrophobicContact CD2-CZ 4.09Å; Y210-F237 HydrophobicContact CE2-CE1 4.25Å; Y210-F237 HydrophobicContact CG-CE1 4.03Å; Y210-F237 HydrophobicContact CG-CZ 4.07Å; M211-F237 HydrophobicContact CE-CE2 3.78Å; M211-F237 HydrophobicContact CE-CZ 4.16Å; D223-F237 CarbonylContact C-O 3.48Å; D223-F237 WeakPolarHBondContact CA-O 3.34Å; F224-F237 HydrophobicContact CB-CB 4.38Å; F224-F237 PolarHBondContact N-O 2.88Å; F224-F237 PolarHBondContact O-N 2.81Å; V226-F237 HydrophobicContact CB-CE2 4.48Å; V226-F237 HydrophobicContact CG2-CD2 4.31Å; V226-F237 HydrophobicContact CG2-CE2 4.36Å; A235-F237 HydrophobicContact CB-CD2 4.48Å; A235-F237 HydrophobicContact CB-CE2 3.52Å; A235-F237 HydrophobicContact CB-CZ 3.77Å; F237-T242 CarbonylContact C-O 3.52Å; F237-T242 VanDerWaalsContact CA-O 3.27Å; F237-T242 WeakPolarHBondContact CA-O 2.96Å; F237-F243 HydrophobicContact CD1-CB 4.01Å; F237-F243 HydrophobicContact CD1-CD2 4.33Å; F237-F243 HydrophobicContact CE1-CB 3.94Å; F237-F243 AromaticContact CE1-CD2 3.84Å; F237-F243 HydrophobicContact CE1-CD2 3.84Å; F237-F243 HydrophobicContact CE1-CG 4.38Å; F237-F243 HydrophobicContact CZ-CD2 4.14Å
238Q96.7Very high97.1Very high73 Ų7336.3 Ų36.334%0.34119%0.185SC..EExtended strand (participates in β ladder)trans-76.3169162.2-73.5-179.6-23.400111.2N222 D240 G241 T242 L244N222-Q238 CarbonylContact O-C 3.54Å; Q238-D240 WeakPolarHBondContact CB-OD1 3.12Å; Q238-D240 PolarHBondContact O-N 2.97Å; Q238-G241 PolarHBondContact O-N 2.82Å; Q238-T242 PolarHBondContact N-O 2.86Å; Q238-L244 HydrophobicContact CG-CD1 3.85Å; Q238-L244 HydrophobicContact CG-CD2 3.87Å; Q238-L244 HydrophobicContact CG-CG 4.05Å
239D92.3Very high97.1Very high39 Ų3939.5 Ų39.521%0.20920%0.203CC..THydrogen-bonded Turntrans-65.1-17.5179.873.4-36.5000113.9R203 N222 F224R203-D239 WeakPolarHBondContact CD-O 3.22Å; R203-D239 IonicContact CZ-OD2 2.72Å; R203-D239 PolarHBondContact NE-O 3.45Å; R203-D239 IonicContact NH1-OD2 3.1Å; R203-D239 PolarHBondContact NH1-OD2 2.93Å; R203-D239 IonicContact NH2-OD2 3.58Å; R203-D239 PolarHBondContact NH2-OD2 3.27Å; N222-D239 HydrophobicContact CB-CB 4.33Å; N222-D239 PolarHBondContact O-N 2.86Å; F224-D239 HydrophobicContact CD2-CB 4.4Å; F224-D239 HydrophobicContact CE2-CB 3.62Å; F224-D239 HydrophobicContact CZ-CB 4.39Å
240D93.8Very high97Very high91 Ų9144.3 Ų44.349%0.48723%0.226SC..THydrogen-bonded Turntrans-88.2-2.7172.169.8-1.6000114.1Q238 T242Q238-D240 WeakPolarHBondContact CB-OD1 3.12Å; Q238-D240 PolarHBondContact O-N 2.97Å; D240-T242 VanDerWaalsContact CG-OG1 3.32Å; D240-T242 WeakPolarHBondContact OD1-CB 3.14Å; D240-T242 PolarHBondContact OD1-N 3.32Å; D240-T242 PolarHBondContact OD1-OG1 3.43Å; D240-T242 PolarHBondContact OD2-OG1 2.85Å
241G96.4Very high96.8Very high17 Ų1747.2 Ų47.218%0.17524%0.238CC..  trans91.40.9-177.900000114.9Q238 F243Q238-G241 PolarHBondContact O-N 2.82Å; G241-F243 PolarHBondContact O-N 2.93Å; G241-F243 VanDerWaalsContact O-N 3.15Å
242T97.9Very high96.7Very high65 Ų6547.4 Ų47.440%0.39924%0.236SC..  trans-61.5117.8174.7-60.10000110.1F237 Q238 D240F237-T242 CarbonylContact C-O 3.52Å; F237-T242 VanDerWaalsContact CA-O 3.27Å; F237-T242 WeakPolarHBondContact CA-O 2.96Å; Q238-T242 PolarHBondContact N-O 2.86Å; D240-T242 VanDerWaalsContact CG-OG1 3.32Å; D240-T242 WeakPolarHBondContact OD1-CB 3.14Å; D240-T242 PolarHBondContact OD1-N 3.32Å; D240-T242 PolarHBondContact OD1-OG1 3.43Å; D240-T242 PolarHBondContact OD2-OG1 2.85Å
243F98.3Very high96.6Very high61 Ų6146 Ų4627%0.26823%0.23SC..EExtended strand (participates in β ladder)trans-67.6131.4172.9171.9-98.2000110.6Y210 A235 F237 G241 Y245 R246Y210-F243 HydrophobicContact CD1-CB 4.3Å; Y210-F243 HydrophobicContact CD1-CD1 4.17Å; Y210-F243 AromaticContact CD1-CD2 3.53Å; Y210-F243 HydrophobicContact CD1-CD2 3.53Å; Y210-F243 HydrophobicContact CD1-CE1 4.43Å; Y210-F243 AromaticContact CD1-CE2 3.82Å; Y210-F243 HydrophobicContact CD1-CE2 3.82Å; Y210-F243 AromaticContact CD1-CG 3.72Å; Y210-F243 HydrophobicContact CD1-CG 3.72Å; Y210-F243 HydrophobicContact CD1-CZ 4.26Å; Y210-F243 HydrophobicContact CD2-CB 4.43Å; Y210-F243 HydrophobicContact CE1-CB 3.75Å; Y210-F243 AromaticContact CE1-CD1 3.6Å; Y210-F243 HydrophobicContact CE1-CD1 3.6Å; Y210-F243 AromaticContact CE1-CD2 3.74Å; Y210-F243 HydrophobicContact CE1-CD2 3.74Å; Y210-F243 HydrophobicContact CE1-CE1 4.11Å; Y210-F243 HydrophobicContact CE1-CE2 4.24Å; Y210-F243 AromaticContact CE1-CG 3.38Å; Y210-F243 HydrophobicContact CE1-CG 3.38Å; Y210-F243 HydrophobicContact CE1-CZ 4.4Å; Y210-F243 HydrophobicContact CE2-CB 3.89Å; Y210-F243 HydrophobicContact CE2-CG 4.36Å; Y210-F243 AromaticContact CG-CD2 3.96Å; Y210-F243 HydrophobicContact CG-CD2 3.96Å; Y210-F243 HydrophobicContact CG-CE2 4.47Å; Y210-F243 HydrophobicContact CG-CG 4.34Å; Y210-F243 AromaticContact CZ-CG 3.74Å; A235-F243 HydrophobicContact CB-CE2 4.14Å; F237-F243 HydrophobicContact CD1-CB 4.01Å; F237-F243 HydrophobicContact CD1-CD2 4.33Å; F237-F243 HydrophobicContact CE1-CB 3.94Å; F237-F243 AromaticContact CE1-CD2 3.84Å; F237-F243 HydrophobicContact CE1-CD2 3.84Å; F237-F243 HydrophobicContact CE1-CG 4.38Å; F237-F243 HydrophobicContact CZ-CD2 4.14Å; G241-F243 PolarHBondContact O-N 2.93Å; G241-F243 VanDerWaalsContact O-N 3.15Å; F243-Y245 WeakPolarHBondContact CE2-O 3.34Å; F243-R246 HydrophobicContact CE2-CG 4.08Å; F243-R246 HydrophobicContact CZ-CG 3.98Å
244L97.3Very high96.5Very high59 Ų5946.7 Ų46.731%0.30923%0.234SC..EExtended strand (participates in β ladder)trans-102.2-64.3-179.9-59.5178.1000111.6V236 Q238V236-L244 HydrophobicContact CG1-CD1 4.17Å; V236-L244 PolarHBondContact O-N 3.34Å; Q238-L244 HydrophobicContact CG-CD1 3.85Å; Q238-L244 HydrophobicContact CG-CD2 3.87Å; Q238-L244 HydrophobicContact CG-CG 4.05Å
245Y97.4Very high96.3Very high66 Ų6650 Ų5026%0.25925%0.248SC..EExtended strand (participates in β ladder)trans-165.3177-176.552.9-85.5000111.2V236 F243 I247 R284V236-Y245 HydrophobicContact CB-CE1 4.48Å; V236-Y245 HydrophobicContact CB-CE2 4.35Å; V236-Y245 HydrophobicContact CG1-CE1 4.5Å; V236-Y245 HydrophobicContact CG2-CD2 4.12Å; V236-Y245 HydrophobicContact CG2-CE2 3.82Å; V236-Y245 PolarHBondContact N-O 3.26Å; F243-Y245 WeakPolarHBondContact CE2-O 3.34Å; Y245-I247 HydrophobicContact CD2-CG1 3.96Å; Y245-I247 HydrophobicContact CE2-CD1 3.9Å; Y245-I247 HydrophobicContact CE2-CG1 3.73Å; Y245-R284 PolarHBondContact OH-O 3.22Å
246R97.8Very high96.2Very high99 Ų9950 Ų5037%0.37425%0.248SC..EExtended strand (participates in β ladder)trans-111.5147.5172-70.1178.8-172.1-82.6-1111.2Y210 C233 V234 F243Y210-R246 VanDerWaalsContact CA-NH2 3.27Å; Y210-R246 VanDerWaalsContact O-CZ 3.31Å; Y210-R246 PolarHBondContact O-NH1 3.34Å; Y210-R246 PolarHBondContact O-NH2 3.04Å; C233-R246 PolarHBondContact SG-NH1 3.4Å; C233-R246 VanDerWaalsContact SG-NH1 3.35Å; V234-R246 CarbonylContact O-C 3.56Å; V234-R246 VanDerWaalsContact O-CA 3.25Å; V234-R246 WeakPolarHBondContact O-CA 3.22Å; F243-R246 HydrophobicContact CE2-CG 4.08Å; F243-R246 HydrophobicContact CZ-CG 3.98Å
247I97.9Very high95.9Very high1 Ų151.2 Ų51.21%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-117.2135.6172.2-53.3178.7000108.2Y225 C233 V234 V236 Y245 V267 I269 Y282Y225-I247 HydrophobicContact CD1-CD1 4.12Å; Y225-I247 HydrophobicContact CE1-CD1 4Å; C233-I247 CarbonylContact C-O 3.53Å; C233-I247 WeakPolarHBondContact CA-O 3.36Å; C233-I247 VanDerWaalsContact CB-O 3.31Å; C233-I247 WeakPolarHBondContact CB-O 3.43Å; V234-I247 HydrophobicContact CB-CB 4.38Å; V234-I247 PolarHBondContact N-O 3.45Å; V234-I247 PolarHBondContact O-N 3.4Å; V236-I247 HydrophobicContact CG2-CD1 3.9Å; V236-I247 HydrophobicContact CG2-CG1 4.03Å; Y245-I247 HydrophobicContact CD2-CG1 3.96Å; Y245-I247 HydrophobicContact CE2-CD1 3.9Å; Y245-I247 HydrophobicContact CE2-CG1 3.73Å; I247-V267 HydrophobicContact CD1-CB 4.27Å; I247-V267 HydrophobicContact CD1-CG1 4.2Å; I247-V267 HydrophobicContact CD1-CG2 4.02Å; I247-I269 HydrophobicContact CB-CD1 4.27Å; I247-I269 HydrophobicContact CG2-CD1 3.77Å; I247-Y282 HydrophobicContact CG2-CD1 3.42Å; I247-Y282 VanDerWaalsContact CG2-CD1 3.42Å; I247-Y282 HydrophobicContact CG2-CD2 3.57Å; I247-Y282 HydrophobicContact CG2-CE1 3.93Å; I247-Y282 HydrophobicContact CG2-CE2 4.06Å; I247-Y282 HydrophobicContact CG2-CG 3.23Å
248G96.8Very high95.8Very high19 Ų1951.2 Ų51.220%0.19626%0.255CS..  trans81.1175.9179.900000114.8T253 Y282G248-T253 VanDerWaalsContact CA-OG1 3.29Å; G248-T253 WeakPolarHBondContact CA-OG1 3.48Å; G248-Y282 WeakPolarHBondContact CA-OH 3.45Å
249N96.2Very high95.8Very high70 Ų7047.8 Ų47.837%0.37424%0.239SC..  trans-167.4173.6-177.65870.4000111.1H232 K251 V252 T253H232-N249 CarbonylContact O-C 3.58Å; H232-N249 VanDerWaalsContact O-CA 3.26Å; H232-N249 WeakPolarHBondContact O-CA 3.28Å; H232-N249 PolarHBondContact O-N 3.28Å; N249-K251 PolarHBondContact O-N 2.88Å; N249-K251 WeakPolarHBondContact OD1-CA 3.37Å; N249-K251 VanDerWaalsContact OD1-CB 3.28Å; N249-K251 WeakPolarHBondContact OD1-CB 3.42Å; N249-K251 PolarHBondContact OD1-N 3.35Å; N249-V252 PolarHBondContact O-N 2.95Å; N249-V252 VanDerWaalsContact O-N 3.09Å; N249-V252 PolarHBondContact OD1-N 3.5Å; N249-T253 PolarHBondContact N-OG1 3.08Å; N249-T253 PolarHBondContact O-N 2.65Å; N249-T253 PolarHBondContact O-OG1 3.1Å
250E95.5Very high96Very high131 Ų13147.3 Ų47.361%0.61224%0.237SC*.THydrogen-bonded Turntrans-57.8-9.8179.167.1178.5-169.200116.4H232 C254H232-E250 HydrophobicContact CB-CB 4.14Å; E250-C254 PolarHBondContact O-SG 3.05Å
251K93.1Very high96.2Very high147 Ų14744 Ų4464%0.63922%0.219SC*.THydrogen-bonded Turntrans-98-20178.5-58.1179.5-179.4172.60113.2N249N249-K251 PolarHBondContact O-N 2.88Å; N249-K251 WeakPolarHBondContact OD1-CA 3.37Å; N249-K251 VanDerWaalsContact OD1-CB 3.28Å; N249-K251 WeakPolarHBondContact OD1-CB 3.42Å; N249-K251 PolarHBondContact OD1-N 3.35Å
252V95.1Very high96.1Very high21 Ų2144.2 Ų44.213%0.12722%0.217CC..THydrogen-bonded Turntrans-121.8-54.8-172-176.20000111.2N249 C254 H278 A280 Y282 L288 E291N249-V252 PolarHBondContact O-N 2.95Å; N249-V252 VanDerWaalsContact O-N 3.09Å; N249-V252 PolarHBondContact OD1-N 3.5Å; V252-C254 PolarHBondContact O-N 3.33Å; V252-H278 PolarHBondContact O-CE1 3.45Å; V252-H278 PolarHBondContact O-ND1 2.73Å; V252-A280 HydrophobicContact CG1-CB 3.74Å; V252-Y282 WeakPolarHBondContact CG1-OH 3.3Å; V252-L288 HydrophobicContact CG1-CD1 4.22Å; V252-L288 HydrophobicContact CG1-CD2 4.29Å; V252-L288 HydrophobicContact CG2-CD2 4.36Å; V252-E291 HydrophobicContact CG1-CG 4.3Å
253T95.2Very high95.7Very high0 Ų049 Ų490%024%0.241CC..SBendtrans-105.161-175460000109.9H232 G248 N249 F255 P256 I269 A280 Y282H232-T253 CarbonylContact C-O 3.55Å; H232-T253 VanDerWaalsContact C-O 3.29Å; H232-T253 WeakPolarHBondContact CA-O 3.4Å; H232-T253 WeakPolarHBondContact CB-O 3.22Å; H232-T253 VanDerWaalsContact O-O 3.06Å; H232-T253 PolarHBondContact O-OG1 3.46Å; G248-T253 VanDerWaalsContact CA-OG1 3.29Å; G248-T253 WeakPolarHBondContact CA-OG1 3.48Å; N249-T253 PolarHBondContact N-OG1 3.08Å; N249-T253 PolarHBondContact O-N 2.65Å; N249-T253 PolarHBondContact O-OG1 3.1Å; T253-F255 PolarHBondContact O-N 3.35Å; T253-F255 VanDerWaalsContact O-N 3.14Å; T253-P256 WeakPolarHBondContact O-CD 3.45Å; T253-I269 HydrophobicContact CG2-CB 3.85Å; T253-I269 HydrophobicContact CG2-CD1 4.04Å; T253-I269 HydrophobicContact CG2-CG2 3.65Å; T253-A280 HydrophobicContact CG2-CB 3.94Å; T253-Y282 HydrophobicContact CG2-CE2 3.85Å
254C94.6Very high95.4Very high21 Ų2150.3 Ų50.314%0.14226%0.262CS..  trans-71.2110.7-173.8-57.10000110.3E250 V252 D271 H273E250-C254 PolarHBondContact O-SG 3.05Å; V252-C254 PolarHBondContact O-N 3.33Å; C254-D271 VanDerWaalsContact O-CB 3.23Å; C254-D271 WeakPolarHBondContact O-CB 3.21Å; C254-H273 HydrophobicContact CB-CB 3.63Å; C254-H273 WeakPolarHBondContact O-CB 3.49Å
255F95.3Very high95.2Very high69 Ų6947.6 Ų47.630%0.30325%0.249SC..SBendtrans62.559.5175.5-58.6-82.1000112.9F229 H232 T253 H273F229-F255 HydrophobicContact CD1-CD1 4.09Å; F229-F255 HydrophobicContact CD2-CB 3.82Å; F229-F255 HydrophobicContact CD2-CD1 4.45Å; F229-F255 AromaticContact CE1-CD1 3.69Å; F229-F255 HydrophobicContact CE1-CD1 3.69Å; F229-F255 HydrophobicContact CE1-CE1 4.35Å; F229-F255 HydrophobicContact CE2-CB 3.46Å; F229-F255 VanDerWaalsContact CE2-CB 3.46Å; F229-F255 HydrophobicContact CE2-CD1 4.13Å; F229-F255 HydrophobicContact CE2-CG 4.23Å; F229-F255 HydrophobicContact CG-CD1 4.44Å; F229-F255 HydrophobicContact CZ-CB 3.86Å; F229-F255 AromaticContact CZ-CD1 3.71Å; F229-F255 HydrophobicContact CZ-CD1 3.71Å; F229-F255 HydrophobicContact CZ-CG 4.14Å; F229-F255 WeakPolarHBondContact O-CA 3.32Å; H232-F255 AromaticContact CE1-CD1 3.65Å; H232-F255 AromaticContact CE1-CD2 3.75Å; H232-F255 AromaticContact CE1-CE1 3.45Å; H232-F255 VanDerWaalsContact CE1-CE1 3.45Å; H232-F255 WeakPolarHBondContact CE1-CE1 3.41Å; H232-F255 AromaticContact CE1-CE2 3.55Å; H232-F255 AromaticContact CE1-CG 3.82Å; H232-F255 AromaticContact CE1-CZ 3.43Å; H232-F255 VanDerWaalsContact CE1-CZ 3.43Å; H232-F255 WeakPolarHBondContact CE1-CZ 3.33Å; H232-F255 AromaticContact ND1-CD1 3.89Å; H232-F255 AromaticContact ND1-CD2 3.83Å; H232-F255 AromaticContact ND1-CG 3.75Å; H232-F255 PolarHBondContact ND1-N 2.76Å; T253-F255 PolarHBondContact O-N 3.35Å; T253-F255 VanDerWaalsContact O-N 3.14Å; F255-H273 HydrophobicContact CD2-CB 4.41Å; F255-H273 AromaticContact CD2-ND1 3.49Å; F255-H273 WeakPolarHBondContact CD2-ND1 3.35Å; F255-H273 AromaticContact CE2-CE1 3.85Å; F255-H273 AromaticContact CE2-ND1 3.67Å
256P96.1Very high95.1Very high0 Ų047.1 Ų47.10%025%0.251CS..EExtended strand (participates in β ladder)trans-67.8135.7-173.931-35.4000110.8S215 C227 D228 T253 I269 G270S215-P256 PolarHBondContact OG-O 2.8Å; C227-P256 HydrophobicContact CB-CG 4.48Å; D228-P256 WeakPolarHBondContact O-CG 3.42Å; T253-P256 WeakPolarHBondContact O-CD 3.45Å; P256-I269 HydrophobicContact CB-CG2 3.56Å; P256-G270 WeakPolarHBondContact CA-O 3.42Å
257N92.8Very high95.1Very high27 Ų2742.4 Ų42.414%0.14423%0.233CC..EExtended strand (participates in β ladder)trans-126.90.6-178.9-76.9-44.1000113.1F229 G270 C302 G304F229-N257 WeakPolarHBondContact CD2-OD1 3.31Å; F229-N257 WeakPolarHBondContact CE2-ND2 3.21Å; F229-N257 VanDerWaalsContact CE2-OD1 3.32Å; F229-N257 WeakPolarHBondContact CE2-OD1 3.39Å; N257-G270 PolarHBondContact N-O 3.41Å; N257-C302 WeakPolarHBondContact CB-O 3.49Å; N257-G304 WeakPolarHBondContact O-CA 3.39Å; N257-G304 PolarHBondContact O-N 2.88Å
258G94.8Very high95.1Very high0 Ų043.7 Ų43.70%024%0.24CC..EExtended strand (participates in β ladder)trans-150.8143.7178.400000111.1G270G258-G270 PolarHBondContact N-O 2.89Å; G258-G270 PolarHBondContact O-N 2.99Å
259I97.4Very high95.2Very high0 Ų042.8 Ų42.80%023%0.231CC..EExtended strand (participates in β ladder)trans-142.9144.2174.1-175.1172.1000110.1D216 A218 C227 V234 V267 L268 K306D216-I259 HydrophobicContact CB-CG2 4.14Å; D216-I259 PolarHBondContact OD2-N 2.63Å; A218-I259 HydrophobicContact CB-CB 4.41Å; A218-I259 HydrophobicContact CB-CD1 4.18Å; A218-I259 HydrophobicContact CB-CG1 3.93Å; A218-I259 HydrophobicContact CB-CG2 3.85Å; C227-I259 WeakPolarHBondContact SG-CB 3.28Å; C227-I259 VanDerWaalsContact SG-CG2 3.53Å; V234-I259 HydrophobicContact CB-CD1 4.49Å; V234-I259 HydrophobicContact CG1-CD1 3.79Å; V234-I259 HydrophobicContact CG2-CD1 3.88Å; I259-V267 HydrophobicContact CD1-CG1 3.94Å; I259-V267 HydrophobicContact CG1-CG1 4.25Å; I259-L268 WeakPolarHBondContact CA-O 3.39Å; I259-K306 PolarHBondContact O-NZ 2.97Å
260D97.3Very high95.1Very high30 Ų3039.5 Ų39.516%0.1621%0.213CC..EExtended strand (participates in β ladder)trans-149.3163.2163.7-149.419.2000111L268 K306 I307D260-L268 PolarHBondContact N-O 3.07Å; D260-L268 PolarHBondContact O-N 2.92Å; D260-K306 HydrophobicContact CB-CD 4.43Å; D260-K306 IonicContact OD1-NZ 3.5Å; D260-K306 VanDerWaalsContact OD2-CA 3.26Å; D260-K306 WeakPolarHBondContact OD2-CA 3.38Å; D260-I307 HydrophobicContact CB-CD1 3.87Å; D260-I307 HydrophobicContact CB-CG1 3.97Å; D260-I307 PolarHBondContact OD2-N 3.22Å
261I96.3Very high95.1Very high21 Ų2133.4 Ų33.411%0.10818%0.184CC..EExtended strand (participates in β ladder)trans-124.3126.2-176.1-55.2168.9000109.3A218 R220 Y225 D266A218-I261 HydrophobicContact CB-CD1 3.73Å; A218-I261 HydrophobicContact CB-CG1 3.81Å; R220-I261 HydrophobicContact CB-CD1 3.85Å; R220-I261 HydrophobicContact CB-CG2 4.29Å; Y225-I261 HydrophobicContact CD1-CD1 4.44Å; Y225-I261 HydrophobicContact CD2-CD1 3.33Å; Y225-I261 HydrophobicContact CE2-CD1 3.56Å; Y225-I261 HydrophobicContact CG-CD1 3.83Å; I261-D266 CarbonylContact C-O 3.53Å; I261-D266 WeakPolarHBondContact CA-O 3.38Å
262S94.4Very high95Very high21 Ų2126.8 Ų26.815%0.14716%0.157CC..  trans-69.1161.617984.50000111.5A264 G265 D266S262-A264 PolarHBondContact O-N 2.84Å; S262-A264 PolarHBondContact OG-N 2.86Å; S262-G265 WeakPolarHBondContact O-CA 3.47Å; S262-G265 PolarHBondContact O-N 2.8Å; S262-G265 PolarHBondContact OG-N 2.74Å; S262-D266 PolarHBondContact N-O 2.89Å; S262-D266 WeakPolarHBondContact OG-CB 2.86Å; S262-D266 PolarHBondContact OG-N 3.43Å; S262-D266 PolarHBondContact OG-OD2 2.85Å
263N90.2Very high94.7Very high167 Ų16730.5 Ų30.589%0.89317%0.172SC*.THydrogen-bonded Turntrans-61.1-27172.6-70.6-27.6000113.1
264A91.9Very high94.3Very high87 Ų8733.4 Ų33.472%0.71920%0.203SC*.THydrogen-bonded Turntrans-78.5-11.9173.900000112.5S262S262-A264 PolarHBondContact O-N 2.84Å; S262-A264 PolarHBondContact OG-N 2.86Å
265G93.2Very high93.9Very high2 Ų236.1 Ų36.12%0.02122%0.216CC..  trans9514178.200000115.2R220 S262R220-G265 PolarHBondContact NH2-O 2.85Å; S262-G265 WeakPolarHBondContact O-CA 3.47Å; S262-G265 PolarHBondContact O-N 2.8Å; S262-G265 PolarHBondContact OG-N 2.74Å
266D95.6Very high93.5Very high56 Ų5636.6 Ų36.630%0.29922%0.215SC..  trans-72.5135.1173-49.7-62.3000109.7I261 S262 L268 Y282I261-D266 CarbonylContact C-O 3.53Å; I261-D266 WeakPolarHBondContact CA-O 3.38Å; S262-D266 PolarHBondContact N-O 2.89Å; S262-D266 WeakPolarHBondContact OG-CB 2.86Å; S262-D266 PolarHBondContact OG-N 3.43Å; S262-D266 PolarHBondContact OG-OD2 2.85Å; D266-L268 HydrophobicContact CB-CD1 3.99Å; D266-L268 WeakPolarHBondContact O-CD1 3.26Å; D266-Y282 CarbonylContact C-O 3.57Å; D266-Y282 WeakPolarHBondContact CA-O 3.12Å
267V97.8Very high93.3Very high0 Ų038.9 Ų38.90%023%0.225CC..EExtended strand (participates in β ladder)trans-97.3112179.2-174.70000108.3Y225 I247 I259 I269 Y282Y225-V267 HydrophobicContact CD1-CG1 4.19Å; Y225-V267 HydrophobicContact CD1-CG2 4.04Å; Y225-V267 HydrophobicContact CE1-CG2 3.64Å; I247-V267 HydrophobicContact CD1-CB 4.27Å; I247-V267 HydrophobicContact CD1-CG1 4.2Å; I247-V267 HydrophobicContact CD1-CG2 4.02Å; I259-V267 HydrophobicContact CD1-CG1 3.94Å; I259-V267 HydrophobicContact CG1-CG1 4.25Å; V267-I269 HydrophobicContact CG1-CD1 4.4Å; V267-I269 HydrophobicContact CG1-CG1 4.1Å; V267-Y282 PolarHBondContact N-O 2.95Å; V267-Y282 PolarHBondContact O-N 3.46Å
268L97.8Very high93.4Very high29 Ų2937.6 Ų37.615%0.15222%0.219CC..EExtended strand (participates in β ladder)trans-100123.7178-68.675000109.2I259 D260 D266 V279 A280 L305 I307I259-L268 WeakPolarHBondContact CA-O 3.39Å; D260-L268 PolarHBondContact N-O 3.07Å; D260-L268 PolarHBondContact O-N 2.92Å; D266-L268 HydrophobicContact CB-CD1 3.99Å; D266-L268 WeakPolarHBondContact O-CD1 3.26Å; L268-V279 HydrophobicContact CB-CG1 4.02Å; L268-V279 HydrophobicContact CD2-CG1 4.11Å; L268-V279 HydrophobicContact CG-CG1 4.38Å; L268-A280 WeakPolarHBondContact CA-O 3.32Å; L268-L305 HydrophobicContact CB-CD2 3.82Å; L268-I307 HydrophobicContact CB-CD1 4.05Å; L268-I307 HydrophobicContact CD1-CD1 3.4Å; L268-I307 VanDerWaalsContact CD1-CD1 3.4Å; L268-I307 HydrophobicContact CD2-CD1 3.52Å; L268-I307 HydrophobicContact CD2-CG1 4Å; L268-I307 HydrophobicContact CG-CD1 3.81Å
269I97.9Very high93.4Very high0 Ų037.9 Ų37.90%022%0.22CC..EExtended strand (participates in β ladder)trans-117.1117.6-177.6-55.2172.1000108V234 I247 T253 P256 V267 V279 A280 Y282V234-I269 HydrophobicContact CB-CD1 4.13Å; V234-I269 HydrophobicContact CG2-CD1 3.48Å; V234-I269 VanDerWaalsContact CG2-CD1 3.48Å; V234-I269 HydrophobicContact CG2-CG1 3.85Å; V234-I269 HydrophobicContact CG2-CG2 4.25Å; I247-I269 HydrophobicContact CB-CD1 4.27Å; I247-I269 HydrophobicContact CG2-CD1 3.77Å; T253-I269 HydrophobicContact CG2-CB 3.85Å; T253-I269 HydrophobicContact CG2-CD1 4.04Å; T253-I269 HydrophobicContact CG2-CG2 3.65Å; P256-I269 HydrophobicContact CB-CG2 3.56Å; V267-I269 HydrophobicContact CG1-CD1 4.4Å; V267-I269 HydrophobicContact CG1-CG1 4.1Å; I269-V279 WeakPolarHBondContact O-CA 3.44Å; I269-A280 PolarHBondContact N-O 3.46Å; I269-A280 PolarHBondContact O-N 2.82Å; I269-Y282 HydrophobicContact CD1-CD2 3.9Å; I269-Y282 HydrophobicContact CD1-CE2 3.94Å; I269-Y282 HydrophobicContact CG1-CD2 4.48Å
270G95.6Very high93.4Very high0 Ų037.9 Ų37.90%022%0.22CC..EExtended strand (participates in β ladder)trans-98.8134.6-179.400000112.5P256 N257 G258 H278P256-G270 WeakPolarHBondContact CA-O 3.42Å; N257-G270 PolarHBondContact N-O 3.41Å; G258-G270 PolarHBondContact N-O 2.89Å; G258-G270 PolarHBondContact O-N 2.99Å; G270-H278 WeakPolarHBondContact CA-O 3.42Å
271D94.1Very high93.4Very high3 Ų337 Ų372%0.01622%0.217CC..EExtended strand (participates in β ladder)trans-137168.6169.477.778.4000111.9C254 H273 H278C254-D271 VanDerWaalsContact O-CB 3.23Å; C254-D271 WeakPolarHBondContact O-CB 3.21Å; D271-H273 PolarHBondContact OD1-N 2.68Å; D271-H278 PolarHBondContact N-O 3.39Å; D271-H278 PolarHBondContact O-N 3.27Å; D271-H278 IonicContact OD2-CE1 3.41Å; D271-H278 IonicContact OD2-CG 2.6Å; D271-H278 IonicContact OD2-ND1 2.67Å; D271-H278 PolarHBondContact OD2-ND1 2.75Å
272S91.3Very high93.5Very high8 Ų836.4 Ų36.46%0.05621%0.213CC..  trans-128.222.4177.257.80000113.2N275 R276 R301 C302S272-N275 PolarHBondContact O-N 2.99Å; S272-R276 CarbonylContact C-O 3.59Å; S272-R276 WeakPolarHBondContact CA-O 3.26Å; S272-R301 VanDerWaalsContact OG-CA 3.23Å; S272-R301 WeakPolarHBondContact OG-CA 3.49Å; S272-C302 PolarHBondContact OG-N 3.42Å
273H89.8Confident93.6Very high99 Ų9936.1 Ų36.146%0.45821%0.211SC..G310 helixtrans-68.3144.5-178.2-174.174.1000110.6C254 F255 D271 N275C254-H273 HydrophobicContact CB-CB 3.63Å; C254-H273 WeakPolarHBondContact O-CB 3.49Å; F255-H273 HydrophobicContact CD2-CB 4.41Å; F255-H273 AromaticContact CD2-ND1 3.49Å; F255-H273 WeakPolarHBondContact CD2-ND1 3.35Å; F255-H273 AromaticContact CE2-CE1 3.85Å; F255-H273 AromaticContact CE2-ND1 3.67Å; D271-H273 PolarHBondContact OD1-N 2.68Å; H273-N275 VanDerWaalsContact C-N 3.3Å; H273-N275 PolarHBondContact O-N 2.8Å
274G86.9Confident93.6Very high62 Ų6232.4 Ų32.464%0.63919%0.185SC*.G310 helixtrans72.320.3-177.300000114.5R276G274-R276 VanDerWaalsContact C-N 3.3Å; G274-R276 PolarHBondContact O-N 2.79Å
275N85.6Confident93.6Very high78 Ų7835 Ų3542%0.41718%0.182SC..G310 helixtrans61.135.6175-163.830.6000113.7S272 H273 K298 V299S272-N275 PolarHBondContact O-N 2.99Å; H273-N275 VanDerWaalsContact C-N 3.3Å; H273-N275 PolarHBondContact O-N 2.8Å; N275-K298 WeakPolarHBondContact ND2-CG 3.23Å; N275-K298 WeakPolarHBondContact OD1-CA 3.37Å; N275-K298 VanDerWaalsContact OD1-CB 3.31Å; N275-K298 WeakPolarHBondContact OD1-CB 3.31Å; N275-V299 PolarHBondContact OD1-N 2.83Å
276R87.1Confident93.7Very high78 Ų7836 Ų3629%0.29419%0.192SC..SBendtrans-131.8152.3172.265.7178.3-162.9171.77108.1S272 G274 H278 E293S272-R276 CarbonylContact C-O 3.59Å; S272-R276 WeakPolarHBondContact CA-O 3.26Å; G274-R276 VanDerWaalsContact C-N 3.3Å; G274-R276 PolarHBondContact O-N 2.79Å; R276-H278 PolarHBondContact NH2-CD2 3.09Å; R276-H278 VanDerWaalsContact NH2-CD2 3.33Å; R276-E293 IonicContact CZ-OE2 2.95Å; R276-E293 IonicContact NE-OE2 2.98Å; R276-E293 IonicContact NH1-OE2 3.13Å; R276-E293 PolarHBondContact NH1-OE2 3.46Å
277F91.6Very high93.7Very high48 Ų4835.6 Ų35.621%0.21120%0.196CC..EExtended strand (participates in β ladder)trans-85.8122.6166-175.5-123.5000109.1M60 V279 E293 C294 V297 V299 C302 L305M60-F277 HydrophobicContact CE-CD1 3.69Å; M60-F277 HydrophobicContact CE-CE1 4.05Å; F277-V279 HydrophobicContact CD1-CG2 4.46Å; F277-V279 HydrophobicContact CE1-CG2 3.79Å; F277-V279 HydrophobicContact CZ-CG2 3.85Å; F277-E293 CarbonylContact O-C 3.59Å; F277-E293 WeakPolarHBondContact O-CA 3.35Å; F277-C294 HydrophobicContact CB-CB 4.28Å; F277-C294 PolarHBondContact O-N 3.34Å; F277-V297 HydrophobicContact CB-CB 4.46Å; F277-V299 HydrophobicContact CB-CG2 4.07Å; F277-C302 HydrophobicContact CD2-CB 4.21Å; F277-C302 HydrophobicContact CE2-CB 4.03Å; F277-L305 HydrophobicContact CZ-CD1 3.99Å
278H94.1Very high93.6Very high0 Ų038.8 Ų38.80%021%0.213CC..EExtended strand (participates in β ladder)trans-124.1139.6-176.2174.8-112.2000110.1V252 G270 D271 R276 E291 F292V252-H278 PolarHBondContact O-CE1 3.45Å; V252-H278 PolarHBondContact O-ND1 2.73Å; G270-H278 WeakPolarHBondContact CA-O 3.42Å; D271-H278 PolarHBondContact N-O 3.39Å; D271-H278 PolarHBondContact O-N 3.27Å; D271-H278 IonicContact OD2-CE1 3.41Å; D271-H278 IonicContact OD2-CG 2.6Å; D271-H278 IonicContact OD2-ND1 2.67Å; D271-H278 PolarHBondContact OD2-ND1 2.75Å; R276-H278 PolarHBondContact NH2-CD2 3.09Å; R276-H278 VanDerWaalsContact NH2-CD2 3.33Å; H278-E291 IonicContact CE1-OE2 2.84Å; H278-E291 IonicContact NE2-OE2 2.86Å; H278-E291 PolarHBondContact NE2-OE2 3.44Å; H278-F292 WeakPolarHBondContact CA-O 3.49Å; H278-F292 PolarHBondContact CD2-O 3.37Å
279V95.8Very high93.6Very high6 Ų643 Ų434%0.03623%0.232CC..EExtended strand (participates in β ladder)trans-132.8119.3175.8-179.60000108.7M60 L268 I269 F277 F292 L305M60-V279 HydrophobicContact CE-CB 4.46Å; M60-V279 HydrophobicContact CE-CG2 4Å; M60-V279 HydrophobicContact SD-CG2 4.49Å; L268-V279 HydrophobicContact CB-CG1 4.02Å; L268-V279 HydrophobicContact CD2-CG1 4.11Å; L268-V279 HydrophobicContact CG-CG1 4.38Å; I269-V279 WeakPolarHBondContact O-CA 3.44Å; F277-V279 HydrophobicContact CD1-CG2 4.46Å; F277-V279 HydrophobicContact CE1-CG2 3.79Å; F277-V279 HydrophobicContact CZ-CG2 3.85Å; V279-F292 HydrophobicContact CB-CB 4.4Å; V279-F292 PolarHBondContact N-O 3.46Å; V279-F292 PolarHBondContact O-N 3.43Å; V279-L305 HydrophobicContact CG1-CD2 3.98Å; V279-L305 HydrophobicContact CG2-CD1 4.18Å; V279-L305 HydrophobicContact CG2-CD2 4.31Å
280A97.3Very high93.5Very high0 Ų044.8 Ų44.80%024%0.244CC..EExtended strand (participates in β ladder)trans-100.5131.317200000109.8V252 T253 L268 I269 Y282 L288V252-A280 HydrophobicContact CG1-CB 3.74Å; T253-A280 HydrophobicContact CG2-CB 3.94Å; L268-A280 WeakPolarHBondContact CA-O 3.32Å; I269-A280 PolarHBondContact N-O 3.46Å; I269-A280 PolarHBondContact O-N 2.82Å; A280-Y282 HydrophobicContact CB-CD2 4.28Å; A280-Y282 HydrophobicContact CB-CE2 3.54Å; A280-L288 HydrophobicContact CB-CD1 4.17Å
281C97.7Very high93.5Very high13 Ų1346.1 Ų46.19%0.08825%0.251CS..EExtended strand (participates in β ladder)trans-106.9123.4179.7-174.20000109.6Q289 S290 F292C281-Q289 PolarHBondContact O-N 3.28Å; C281-S290 WeakPolarHBondContact CB-OG 3.39Å; C281-S290 PolarHBondContact N-O 3.18Å; C281-S290 PolarHBondContact O-N 3.1Å; C281-F292 HydrophobicContact CB-CE2 4.32Å
282Y98.2Very high93.6Very high7 Ų749.1 Ų49.13%0.02726%0.264CS..EExtended strand (participates in β ladder)trans-117.4148.9178.9-66.9-99.1000110.3I247 G248 V252 T253 D266 V267 I269 A280 G286 A287 L288I247-Y282 HydrophobicContact CG2-CD1 3.42Å; I247-Y282 VanDerWaalsContact CG2-CD1 3.42Å; I247-Y282 HydrophobicContact CG2-CD2 3.57Å; I247-Y282 HydrophobicContact CG2-CE1 3.93Å; I247-Y282 HydrophobicContact CG2-CE2 4.06Å; I247-Y282 HydrophobicContact CG2-CG 3.23Å; G248-Y282 WeakPolarHBondContact CA-OH 3.45Å; V252-Y282 WeakPolarHBondContact CG1-OH 3.3Å; T253-Y282 HydrophobicContact CG2-CE2 3.85Å; D266-Y282 CarbonylContact C-O 3.57Å; D266-Y282 WeakPolarHBondContact CA-O 3.12Å; V267-Y282 PolarHBondContact N-O 2.95Å; V267-Y282 PolarHBondContact O-N 3.46Å; I269-Y282 HydrophobicContact CD1-CD2 3.9Å; I269-Y282 HydrophobicContact CD1-CE2 3.94Å; I269-Y282 HydrophobicContact CG1-CD2 4.48Å; A280-Y282 HydrophobicContact CB-CD2 4.28Å; A280-Y282 HydrophobicContact CB-CE2 3.54Å; Y282-G286 WeakPolarHBondContact CD1-O 3.42Å; Y282-A287 CarbonylContact C-O 3.56Å; Y282-A287 WeakPolarHBondContact CA-O 3.36Å; Y282-L288 HydrophobicContact CD1-CB 3.95Å; Y282-L288 HydrophobicContact CD1-CD1 4.3Å; Y282-L288 HydrophobicContact CD2-CD1 4.36Å; Y282-L288 HydrophobicContact CE1-CB 3.65Å; Y282-L288 HydrophobicContact CE1-CD1 3.88Å; Y282-L288 HydrophobicContact CE1-CG 4.34Å; Y282-L288 HydrophobicContact CE2-CD1 3.94Å
283S96.1Very high93.7Very high16 Ų1650.2 Ų50.211%0.11227%0.268CS..  trans-66.6167.6166.280.80000110.2E285 G286 A287S283-E285 WeakPolarHBondContact CB-OE2 3.3Å; S283-E285 PolarHBondContact O-N 3.19Å; S283-E285 PolarHBondContact OG-N 3.08Å; S283-E285 PolarHBondContact OG-OE2 3.35Å; S283-G286 PolarHBondContact O-N 3.15Å; S283-A287 PolarHBondContact N-O 3.17Å; S283-A287 PolarHBondContact OG-N 3.4Å
284R90.6Very high93.7Very high88 Ų8845.8 Ų45.833%0.33225%0.248SC..THydrogen-bonded Turntrans-53.5-39.3174.7-176.9178.6-169.8159.36.6111.4D221 D223 Y245 G286D221-R284 IonicContact OD2-NH1 3.8Å; D221-R284 IonicContact OD2-NH2 2.68Å; D223-R284 IonicContact OD2-CZ 3.82Å; D223-R284 IonicContact OD2-NE 3.85Å; D223-R284 IonicContact OD2-NH2 3.6Å; D223-R284 PolarHBondContact OD2-NH2 2.96Å; Y245-R284 PolarHBondContact OH-O 3.22Å; R284-G286 PolarHBondContact O-N 3.47Å
285E91.8Very high93.1Very high143 Ų14345.6 Ų45.667%0.66824%0.236SC*.THydrogen-bonded Turntrans-75.21-178.5-53.669.5-146.600113.3S283S283-E285 WeakPolarHBondContact CB-OE2 3.3Å; S283-E285 PolarHBondContact O-N 3.19Å; S283-E285 PolarHBondContact OG-N 3.08Å; S283-E285 PolarHBondContact OG-OE2 3.35Å
286G94.1Very high92.8Very high21 Ų2149.5 Ų49.522%0.21625%0.251CS..SBendtrans85.514177.200000114.7Y282 S283 R284Y282-G286 WeakPolarHBondContact CD1-O 3.42Å; S283-G286 PolarHBondContact O-N 3.15Å; R284-G286 PolarHBondContact O-N 3.47Å
287A95.9Very high92.3Very high48 Ų4847.8 Ų47.840%0.39725%0.249SC..  trans-83.5124.417500000111Y282 S283 Q289Y282-A287 CarbonylContact C-O 3.56Å; Y282-A287 WeakPolarHBondContact CA-O 3.36Å; S283-A287 PolarHBondContact N-O 3.17Å; S283-A287 PolarHBondContact OG-N 3.4Å; A287-Q289 PolarHBondContact O-N 3.27Å; A287-Q289 PolarHBondContact O-NE2 3.16Å; A287-Q289 VanDerWaalsContact O-NE2 3.09Å
288L96.9Very high91.6Very high68 Ų6853.3 Ų53.336%0.35627%0.273SS..EExtended strand (participates in β ladder)trans-62.2121.4176.3-179.865.5000110.2V252 A280 Y282 E291V252-L288 HydrophobicContact CG1-CD1 4.22Å; V252-L288 HydrophobicContact CG1-CD2 4.29Å; V252-L288 HydrophobicContact CG2-CD2 4.36Å; A280-L288 HydrophobicContact CB-CD1 4.17Å; Y282-L288 HydrophobicContact CD1-CB 3.95Å; Y282-L288 HydrophobicContact CD1-CD1 4.3Å; Y282-L288 HydrophobicContact CD2-CD1 4.36Å; Y282-L288 HydrophobicContact CE1-CB 3.65Å; Y282-L288 HydrophobicContact CE1-CD1 3.88Å; Y282-L288 HydrophobicContact CE1-CG 4.34Å; Y282-L288 HydrophobicContact CE2-CD1 3.94Å; L288-E291 HydrophobicContact CD1-CG 4.13Å; L288-E291 HydrophobicContact CD2-CG 4.37Å
289Q96.4Very high90.7Very high116 Ų11655.2 Ų55.254%0.54228%0.284SS..EExtended strand (participates in β ladder)trans-98.8-46.9179.8-59.7-57.1-54.300111.3C281 A287C281-Q289 PolarHBondContact O-N 3.28Å; A287-Q289 PolarHBondContact O-N 3.27Å; A287-Q289 PolarHBondContact O-NE2 3.16Å; A287-Q289 VanDerWaalsContact O-NE2 3.09Å
290S96.4Very high89.2Confident38 Ų3860.1 Ų60.127%0.26632%0.319SS..EExtended strand (participates in β ladder)trans-157.7158.6-176.562.40000112.3C281 F292C281-S290 WeakPolarHBondContact CB-OG 3.39Å; C281-S290 PolarHBondContact N-O 3.18Å; C281-S290 PolarHBondContact O-N 3.1Å; S290-F292 WeakPolarHBondContact OG-CE2 3.15Å; S290-F292 WeakPolarHBondContact OG-CZ 3.31Å
291E96.4Very high87.8Confident29 Ų2965.3 Ų65.314%0.13634%0.339CS..EExtended strand (participates in β ladder)trans-123.9142.5173-68.4176.1-96.900108.9A57 T58 V252 H278 L288A57-E291 CarbonylContact C-O 3.58Å; A57-E291 WeakPolarHBondContact CA-O 3.28Å; A57-E291 HydrophobicContact CB-CB 3.86Å; T58-E291 PolarHBondContact N-O 3.04Å; V252-E291 HydrophobicContact CG1-CG 4.3Å; H278-E291 IonicContact CE1-OE2 2.84Å; H278-E291 IonicContact NE2-OE2 2.86Å; H278-E291 PolarHBondContact NE2-OE2 3.44Å; L288-E291 HydrophobicContact CD1-CG 4.13Å; L288-E291 HydrophobicContact CD2-CG 4.37Å
292F94.9Very high86.7Confident66 Ų6665.5 Ų65.529%0.28934%0.34SS..EExtended strand (participates in β ladder)trans-129.5142178.6-59-85.3000110T58 M60 H278 V279 C281 S290T58-F292 HydrophobicContact CG2-CD1 4.16Å; T58-F292 HydrophobicContact CG2-CE1 4.29Å; T58-F292 CarbonylContact O-C 3.41Å; T58-F292 VanDerWaalsContact O-CA 3.24Å; T58-F292 WeakPolarHBondContact O-CA 3.1Å; M60-F292 HydrophobicContact CE-CB 4.05Å; M60-F292 HydrophobicContact CG-CB 3.65Å; M60-F292 HydrophobicContact CG-CD1 4.39Å; M60-F292 HydrophobicContact CG-CG 4.39Å; M60-F292 HydrophobicContact SD-CB 3.67Å; M60-F292 HydrophobicContact SD-CG 4.49Å; H278-F292 WeakPolarHBondContact CA-O 3.49Å; H278-F292 PolarHBondContact CD2-O 3.37Å; V279-F292 HydrophobicContact CB-CB 4.4Å; V279-F292 PolarHBondContact N-O 3.46Å; V279-F292 PolarHBondContact O-N 3.43Å; C281-F292 HydrophobicContact CB-CE2 4.32Å; S290-F292 WeakPolarHBondContact OG-CE2 3.15Å; S290-F292 WeakPolarHBondContact OG-CZ 3.31Å
293E93.4Very high85.9Confident31 Ų3167.5 Ų67.515%0.14535%0.354CS..EExtended strand (participates in β ladder)trans-137.8142.1176.966.6174.8-177.900112.4A57 T58 P59 M60 R276 F277 P295A57-E293 HydrophobicContact CB-CB 4Å; A57-E293 HydrophobicContact CB-CG 3.76Å; T58-E293 PolarHBondContact O-N 3.33Å; P59-E293 CarbonylContact C-O 3.53Å; P59-E293 VanDerWaalsContact CA-O 3.3Å; P59-E293 WeakPolarHBondContact CA-O 3.2Å; M60-E293 PolarHBondContact N-O 2.77Å; R276-E293 IonicContact CZ-OE2 2.95Å; R276-E293 IonicContact NE-OE2 2.98Å; R276-E293 IonicContact NH1-OE2 3.13Å; R276-E293 PolarHBondContact NH1-OE2 3.46Å; F277-E293 CarbonylContact O-C 3.59Å; F277-E293 WeakPolarHBondContact O-CA 3.35Å; E293-P295 WeakPolarHBondContact O-CD 3.49Å
294C89.8Confident85.6Confident6 Ų667.2 Ų67.24%0.04135%0.354CS..EExtended strand (participates in β ladder)trans-10796.1166-162.60000109.4M60 F277 H296 V297M60-C294 HydrophobicContact CB-CB 4.28Å; M60-C294 HydrophobicContact CE-CB 4.29Å; M60-C294 PolarHBondContact O-SG 2.89Å; F277-C294 HydrophobicContact CB-CB 4.28Å; F277-C294 PolarHBondContact O-N 3.34Å; C294-H296 PolarHBondContact O-N 2.78Å; C294-V297 HydrophobicContact CB-CB 4.42Å; C294-V297 HydrophobicContact CB-CG2 4.22Å; C294-V297 PolarHBondContact O-N 3.41Å; C294-V297 VanDerWaalsContact SG-CG2 3.59Å
295P75.6Confident85.8Confident58 Ų5863.8 Ų63.838%0.37734%0.342SS..THydrogen-bonded Turntrans-71.7-14.9-172.728.9-35.5000113.3E293E293-P295 WeakPolarHBondContact O-CD 3.49Å
296H77.9Confident86Confident160 Ų16059.7 Ų59.774%0.74132%0.322SS*.THydrogen-bonded Turntrans-89.8-16.7-177.6-54.2-55.3000113C294 K298C294-H296 PolarHBondContact O-N 2.78Å; H296-K298 PolarHBondContact O-N 3.45Å
297V77.1Confident86Confident42 Ų4261.4 Ų61.426%0.25533%0.326SS..  trans-91.193.9178.4-178.10000108.5I62 F277 C294 V299I62-V297 HydrophobicContact CD1-CG2 3.24Å; I62-V297 HydrophobicContact CG1-CG2 3.85Å; F277-V297 HydrophobicContact CB-CB 4.46Å; C294-V297 HydrophobicContact CB-CB 4.42Å; C294-V297 HydrophobicContact CB-CG2 4.22Å; C294-V297 PolarHBondContact O-N 3.41Å; C294-V297 VanDerWaalsContact SG-CG2 3.59Å; V297-V299 VanDerWaalsContact C-N 3.32Å; V297-V299 HydrophobicContact CG1-CB 4.27Å; V297-V299 HydrophobicContact CG1-CG1 3.46Å; V297-V299 VanDerWaalsContact CG1-CG1 3.46Å; V297-V299 HydrophobicContact CG1-CG2 4.02Å; V297-V299 PolarHBondContact O-N 3.04Å
298K77.2Confident85.7Confident164 Ų16462.5 Ų62.571%0.71333%0.328SS*.  trans-76.385.4170.6-70.4-174.3178.2-177.60109.5N275 H296N275-K298 WeakPolarHBondContact ND2-CG 3.23Å; N275-K298 WeakPolarHBondContact OD1-CA 3.37Å; N275-K298 VanDerWaalsContact OD1-CB 3.31Å; N275-K298 WeakPolarHBondContact OD1-CB 3.31Å; H296-K298 PolarHBondContact O-N 3.45Å
299V74.5Confident84.9Confident39 Ų3962.7 Ų62.724%0.23634%0.335CS..  trans-104128.6174.9-81.50000109.6N275 F277 V297N275-V299 PolarHBondContact OD1-N 2.83Å; F277-V299 HydrophobicContact CB-CG2 4.07Å; V297-V299 VanDerWaalsContact C-N 3.32Å; V297-V299 HydrophobicContact CG1-CB 4.27Å; V297-V299 HydrophobicContact CG1-CG1 3.46Å; V297-V299 VanDerWaalsContact CG1-CG1 3.46Å; V297-V299 HydrophobicContact CG1-CG2 4.02Å; V297-V299 PolarHBondContact O-N 3.04Å
300S64.3Low83Confident110 Ų11069.8 Ų69.877%0.76937%0.368SS*.SBendtrans-75.8-37.3172.152.80000111.3
301R69.1Low82.3Confident109 Ų10971.4 Ų71.441%0.41137%0.373SS..  trans-148.5120.6176.2-62.5-168.7-171.2-170.77.5111.1I5 F7 S272I5-R301 PolarHBondContact O-NH2 3.23Å; F7-R301 VanDerWaalsContact CE2-CZ 3.44Å; S272-R301 VanDerWaalsContact OG-CA 3.23Å; S272-R301 WeakPolarHBondContact OG-CA 3.49Å
302C74.9Confident81.6Confident16 Ų1673.6 Ų73.611%0.10839%0.386CS..  trans-74.5150.6162.357.90000109.9N257 S272 F277N257-C302 WeakPolarHBondContact CB-O 3.49Å; S272-C302 PolarHBondContact OG-N 3.42Å; F277-C302 HydrophobicContact CD2-CB 4.21Å; F277-C302 HydrophobicContact CE2-CB 4.03Å
303C80.4Confident80.8Confident49 Ų4974.1 Ų74.133%0.33139%0.391SS..  trans-108.43.7-176.7-62.40000113.2P79P79-C303 PolarHBondContact O-SG 3.15Å; P79-C303 VanDerWaalsContact O-SG 3.4Å
304G90.7Very high80.1Confident10 Ų1076.6 Ų76.610%0.10341%0.405CS..  trans159173.9-178.900000112.1N257N257-G304 WeakPolarHBondContact O-CA 3.39Å; N257-G304 PolarHBondContact O-N 2.88Å
305L95.1Very high79.5Confident17 Ų1781 Ų819%0.08943%0.428CS..  trans-140.4135.1173.4175.267.7000107.7L268 F277 V279L268-L305 HydrophobicContact CB-CD2 3.82Å; F277-L305 HydrophobicContact CZ-CD1 3.99Å; V279-L305 HydrophobicContact CG1-CD2 3.98Å; V279-L305 HydrophobicContact CG2-CD1 4.18Å; V279-L305 HydrophobicContact CG2-CD2 4.31Å
306K95.6Very high79.8Confident57 Ų5782.5 Ų82.525%0.24843%0.432CS..  trans-141.8148.8171.1-64-65.3160.6-134.40110.9F82 L84 I259 D260F82-K306 HydrophobicContact CD2-CG 4.46Å; F82-K306 HydrophobicContact CE2-CB 3.95Å; F82-K306 HydrophobicContact CE2-CG 3.78Å; F82-K306 HydrophobicContact CZ-CB 4.4Å; F82-K306 HydrophobicContact CZ-CG 4.17Å; L84-K306 HydrophobicContact CD1-CB 3.79Å; L84-K306 HydrophobicContact CG-CB 3.8Å; L84-K306 HydrophobicContact CG-CG 4.31Å; I259-K306 PolarHBondContact O-NZ 2.97Å; D260-K306 HydrophobicContact CB-CD 4.43Å; D260-K306 IonicContact OD1-NZ 3.5Å; D260-K306 VanDerWaalsContact OD2-CA 3.26Å; D260-K306 WeakPolarHBondContact OD2-CA 3.38Å
307I93.8Very high79.9Confident57 Ų5777 Ų7729%0.29241%0.41SS..  trans-114.7130.7-177.2-53.9161000107.8L84 D260 L268L84-I307 WeakPolarHBondContact CD1-O 3.31Å; D260-I307 HydrophobicContact CB-CD1 3.87Å; D260-I307 HydrophobicContact CB-CG1 3.97Å; D260-I307 PolarHBondContact OD2-N 3.22Å; L268-I307 HydrophobicContact CB-CD1 4.05Å; L268-I307 HydrophobicContact CD1-CD1 3.4Å; L268-I307 VanDerWaalsContact CD1-CD1 3.4Å; L268-I307 HydrophobicContact CD2-CD1 3.52Å; L268-I307 HydrophobicContact CD2-CG1 4Å; L268-I307 HydrophobicContact CG-CD1 3.81Å
308T90.4Very high80.1Confident71 Ų7179.7 Ų79.744%0.43642%0.421SS..  trans-86.2156.1172.157.40000109.7L84 E88L84-T308 HydrophobicContact CD1-CG2 3.85Å; E88-T308 HydrophobicContact CB-CG2 4.41Å; E88-T308 WeakPolarHBondContact OE1-CB 3.42Å
309S79.4Confident80.3Confident72 Ų7272.7 Ų72.750%0.50340%0.397SS..  trans-63.6138.4158.657.10000109.1E88E88-S309 WeakPolarHBondContact OE1-CA 3.44Å; E88-S309 WeakPolarHBondContact OE1-CB 3.43Å; E88-S309 PolarHBondContact OE1-N 3.17Å; E88-S309 PolarHBondContact OE1-OG 3.27Å
310E55.8Low80.9Confident265 Ų26575.7 Ų75.7100%1.23841%0.412SS*.  trans-67.60178.1-66.2-169.8153.300112.4

Retrieved 310 of 310 residues in 169.9 ms (Link to these results)