A0A087XC14_POEFO Loading...

Translocase of outer mitochondrial membrane 40 homolog (yeast)

AlphaFold DB , UniProt , Accession A0A087XC14, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 341 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
1M26.5Very low25Very low245 Ų245115.8 Ų115.8100%1.20779%0.789SS**  098.80-73.6-172-179.900107
2G20.8Very low25.3Very low76 Ų76116.8 Ų116.878%0.78479%0.793SS**  trans-87.5113.9-17200000111V4G2-V4 PolarHBondContact O-N 3.49Å
3S24.4Very low25.5Very low93 Ų93118.5 Ų118.565%0.6580%0.797SS**  trans-71.9117168.748.40000109.5L5S3-L5 PolarHBondContact O-N 3.48Å
4V24.1Very low26Very low129 Ų129118.9 Ų118.978%0.78280%0.797SS**  trans-81.1105.5176.8-168.80000107.8G2G2-V4 PolarHBondContact O-N 3.49Å
5L26.3Very low26.1Very low98 Ų98117.1 Ų117.151%0.51380%0.795SS.*PPolyproline II helixtrans-71.8120.3172.6-87.6151000109.4S3 E72 M76S3-L5 PolarHBondContact O-N 3.48Å; L5-E72 HydrophobicContact CD2-CG 4.21Å; L5-M76 HydrophobicContact CD1-CE 4.29Å; L5-M76 HydrophobicContact CD1-CG 4.49Å; L5-M76 HydrophobicContact CD1-SD 3.61Å
6A26.3Very low26.1Very low98 Ų98118.9 Ų118.981%0.8180%0.801SS**PPolyproline II helixtrans-76139.5171.900000110.5
7A23.9Very low26.1Very low101 Ų101117.7 Ų117.784%0.83580%0.802SS**PPolyproline II helixtrans-67.5141.2-174.800000113.4
8A26.1Very low26Very low102 Ų102115.9 Ų115.984%0.84381%0.806SS**PPolyproline II helixtrans-80.4143.6173.300000112.2
9S24.4Very low25.9Very low88 Ų88114.3 Ų114.362%0.61581%0.81SS**PPolyproline II helixtrans-86.4150.4171.1-33.20000111.3
10P26.2Very low25.9Very low131 Ų131119.1 Ų119.185%0.85182%0.819SS**PPolyproline II helixtrans-81.1139.9-174.831.6-32.5000113.1
11S25.7Very low25.8Very low113 Ų113116.7 Ų116.779%0.7981%0.813SS**PPolyproline II helixtrans-79.5143.8172.351.20000112.6
12P28.5Very low25.9Very low128 Ų128111.9 Ų111.983%0.83180%0.798SS**PPolyproline II helixtrans-88.7149.7172.333.9-30000112.9
13T27.6Very low26.5Very low139 Ų139113.7 Ų113.785%0.85380%0.796SS**PPolyproline II helixtrans-84.5164.7176.335.40000113.6
14P33.5Very low26.6Very low123 Ų123113.1 Ų113.180%0.79980%0.804SS**  trans-109.1170.4-165.439.3-30.4000117.3
15A26.8Very low26.9Very low93 Ų93114.6 Ų114.677%0.76981%0.807SS**  trans84.3141.616500000117.2
16V26Very low27.1Very low145 Ų145117 Ų11788%0.87983%0.825SS**  -156.8151.760.2174.20000113
17A26.8Very low27.2Very low99 Ų99117 Ų11782%0.81882%0.819SS**  trans-78.8161.417900000116
18G23.3Very low27.8Very low86 Ų86119.2 Ų119.289%0.88782%0.822SS**  trans141.4125.614600000116.4
19G24.4Very low28.1Very low85 Ų85119.9 Ų119.988%0.87682%0.817SS**  trans142.397.8154.800000116.7
20Q25.8Very low28.4Very low210 Ų210122 Ų12298%0.98183%0.829SS**  trans-63.2155.2169-67167.7-64.600113.1
21G23.9Very low28.4Very low69 Ų69119 Ų11971%0.71182%0.822SS**  trans166.581.515700000120.2
22V28.6Very low28.7Very low144 Ų144124.1 Ų124.187%0.87383%0.831SS**  trans72.2138.8139.1-164.40000121.1
23P33.9Very low29Very low114 Ų114124.4 Ų124.474%0.7483%0.83SS**  trans-104.9151.3-164.637.5-24.5000114.9
24G27.3Very low29.3Very low80 Ų80126.6 Ų126.683%0.82583%0.833SS**  trans-104.5116175.800000113
25L28.6Very low29.2Very low161 Ų161126.1 Ų126.184%0.84383%0.83SS**  trans-59.2142.6172.3-81.690.7000113.1
26V31.6Very low29.7Very low149 Ų149127.5 Ų127.590%0.90383%0.831SS**  trans-133.1129.6140.7-154.80000109.3
27S27.9Very low29.9Very low97 Ų97127.3 Ų127.368%0.67883%0.83SS**  trans-95.8140-165.950.40000113.8
28V36.1Very low30.1Very low147 Ų147127.6 Ų127.689%0.89183%0.826SS**  trans-147.1142158.2-175.80000108.5
29P32.6Very low30.4Very low116 Ų116129.3 Ų129.375%0.75382%0.824SS**  trans-93.3168.7-146.436.4-34.4000115.9
30P30.6Very low30.7Very low133 Ų133130.8 Ų130.886%0.86482%0.816SS**  trans-96.8139.3-171.734.9-28.8000113.7
31G27.7Very low31.1Very low68 Ų68128.1 Ų128.170%0.70181%0.808SS**  trans143.989.3155.500000115.9
32F31.4Very low31.8Very low221 Ų221130.2 Ų130.297%0.96981%0.809SS**  trans-169.6122.8135.1-104.5-75.5000107.9
33T34.9Very low32Very low134 Ų134126.9 Ų126.982%0.82280%0.804SS**  trans-93.2138.1-176.344.30000111.2
34M32.7Very low32.2Very low184 Ų184126.5 Ų126.591%0.90680%0.804SS**  trans-153.8147.2148.5-80.5-158.8-8800111.1
35P32.6Very low32.6Very low113 Ų113128.6 Ų128.673%0.73480%0.796SS**  trans-88.9175.3-174.236.5-28.2000112.6
36P37.8Very low32.9Very low122 Ų122125.3 Ų125.379%0.79279%0.786SS**  trans-84.7150.2-15135.3-33000112.8
37V29.8Very low33Very low142 Ų142124.6 Ų124.686%0.86178%0.778SS**  trans-115.7106.5166.4-163.50000108.1S39V37-S39 PolarHBondContact O-N 3.16Å
38S31.5Very low33.4Very low104 Ų104126.8 Ų126.873%0.72778%0.777SS**PPolyproline II helixtrans-64.7123.9167.3-59.10000109.8
39S28.3Very low33.4Very low123 Ų123127 Ų12786%0.8677%0.768SS**PPolyproline II helixtrans-103.4119.2153.154.90000108.1V37V37-S39 PolarHBondContact O-N 3.16Å
40V30.1Very low33.5Very low116 Ų116129 Ų12970%0.70377%0.765SS**PPolyproline II helixtrans-93.9132.3-171.81640000109.4
41L34.9Very low33.7Very low153 Ų153125.9 Ų125.980%0.80175%0.751SS**  trans77.6156.4159.6-68.1156.7000120.9
42P38.8Very low34.3Very low114 Ų114128 Ų12874%0.7475%0.746SS**  cis-120.2153.6-30.132.3-15.1000110.4
43G33.5Very low34.5Very low74 Ų74120.8 Ų120.876%0.76373%0.727SS**  cis926235.500000111.8
44S37.1Very low34.8Very low106 Ų106122.1 Ų122.174%0.74173%0.729SS**  trans166.385.3149.455.60000111.1
45D36.1Very low35.6Very low123 Ų123116.2 Ų116.266%0.65871%0.706SS**SBendtrans-168.9-20.5158.9-98.6-22000112.2D47D45-D47 PolarHBondContact O-N 3.34Å
46S34.1Very low37Very low92 Ų92115.3 Ų115.364%0.64370%0.702SS**THydrogen-bonded Turntrans-80.4-12.8-177.454.30000115.7
47D34.8Very low38.6Very low135 Ų135112 Ų11272%0.72268%0.677SS**THydrogen-bonded Turntrans-93.9-15.6174.7-80.7-32.4000113.1D45D45-D47 PolarHBondContact O-N 3.34Å
48Q36.3Very low40.8Very low142 Ų142112.9 Ų112.966%0.66467%0.672SS**Hα-helixtrans-81.4-34.8174.2-143.51282300110.9K50 A51 D52Q48-K50 VanDerWaalsContact C-N 3.31Å; Q48-K50 PolarHBondContact O-N 3.39Å; Q48-A51 PolarHBondContact O-N 3.48Å; Q48-D52 PolarHBondContact O-N 3.39Å; Q48-D52 VanDerWaalsContact O-N 3.16Å
49Q36.1Very low43.1Very low152 Ų152110.5 Ų110.571%0.7165%0.651SS**Hα-helixtrans-75.3-11.5175.7-103.2166.2-18.800115.3
50K33.6Very low45.5Very low159 Ų159104.9 Ų104.969%0.69161%0.612SS**Hα-helixtrans-93.1-24.6169.4-92.9-179.8176.3176.60113.2Q48Q48-K50 VanDerWaalsContact C-N 3.31Å; Q48-K50 PolarHBondContact O-N 3.39Å
51A34.8Very low48Very low67 Ų67100.1 Ų100.155%0.55459%0.586SS**Hα-helixtrans-77-33173.200000112.3Q48 A53Q48-A51 PolarHBondContact O-N 3.48Å; A51-A53 VanDerWaalsContact C-N 3.31Å; A51-A53 PolarHBondContact O-N 3.09Å
52D40.5Very low50.2Low113 Ų11393.3 Ų93.360%0.60455%0.551SS**THydrogen-bonded Turntrans-76.2-14.1175.7-86.4-35000114.2Q48Q48-D52 PolarHBondContact O-N 3.39Å; Q48-D52 VanDerWaalsContact O-N 3.16Å
53A37Very low52.2Low69 Ų6989.2 Ų89.257%0.5752%0.521SS*.THydrogen-bonded Turntrans-81.5-22.4179.100000113.3A51A51-A53 VanDerWaalsContact C-N 3.31Å; A51-A53 PolarHBondContact O-N 3.09Å
54D41.6Very low54.3Low161 Ų16191.8 Ų91.886%0.86151%0.513SS*.SBendtrans-91.1-5.4176.3-92.3-21.9000113
55S48.6Very low56.4Low60 Ų6089.3 Ų89.342%0.4249%0.49SS..  trans-119.634.4178.7640000112.8L57S55-L57 VanDerWaalsContact C-N 3.35Å; S55-L57 PolarHBondContact O-N 3.19Å
56S60.9Low58.6Low94 Ų9483.6 Ų83.666%0.65746%0.46SS*.  trans-65.698.9171.367.90000108.6Q58S56-Q58 PolarHBondContact O-N 2.85Å
57L73.4Confident61Low52 Ų5280.3 Ų80.327%0.27243%0.434SS..PPolyproline II helixtrans-53.3123.4176.1-69.9165.5000108.5S55 D178 T206 P207S55-L57 VanDerWaalsContact C-N 3.35Å; S55-L57 PolarHBondContact O-N 3.19Å; L57-D178 HydrophobicContact CB-CB 4.25Å; L57-T206 VanDerWaalsContact CD2-C 3.49Å; L57-P207 HydrophobicContact CD2-CG 4.23Å
58Q75.4Confident63.5Low162 Ų16278.9 Ų78.976%0.75742%0.418SS*.PPolyproline II helixtrans-74.4148.3179.1-68.8-176.3-5.500110.2S56S56-Q58 PolarHBondContact O-N 2.85Å
59N80Confident65.9Low53 Ų5377.1 Ų77.128%0.28341%0.409SS..PPolyproline II helixtrans-57.8129.8176.9-178.7-47.9000109.8G61 G176 P177 T180N59-G61 PolarHBondContact O-N 2.73Å; N59-G61 VanDerWaalsContact O-N 3.11Å; N59-G61 PolarHBondContact OD1-N 3.15Å; N59-G176 PolarHBondContact ND2-O 3.29Å; N59-P177 WeakPolarHBondContact CA-O 3.48Å; N59-P177 PolarHBondContact N-O 2.79Å; N59-T180 PolarHBondContact ND2-OG1 2.92Å; N59-T180 PolarHBondContact OD1-OG1 3.46Å
60P78.6Confident68.3Low6 Ų670 Ų704%0.03938%0.376CS..  trans-68.5-5.7-175.326.8-35.5000115.6L202 V210 R233P60-L202 HydrophobicContact CG-CB 4.18Å; P60-V210 HydrophobicContact CB-CB 4.17Å; P60-V210 HydrophobicContact CB-CG1 3.41Å; P60-V210 VanDerWaalsContact CB-CG1 3.41Å; P60-V210 HydrophobicContact CB-CG2 3.64Å; P60-V210 HydrophobicContact CG-CG1 4.29Å; P60-R233 PolarHBondContact O-NH2 2.76Å
61G82.6Confident70.9Confident15 Ų1568.1 Ų68.116%0.15537%0.367CS..  trans79.9-162.8-170.400000111.7N59 T180N59-G61 PolarHBondContact O-N 2.73Å; N59-G61 VanDerWaalsContact O-N 3.11Å; N59-G61 PolarHBondContact OD1-N 3.15Å; G61-T180 VanDerWaalsContact O-CB 3.3Å; G61-T180 WeakPolarHBondContact O-CB 3.23Å; G61-T180 WeakPolarHBondContact O-CG2 3.14Å; G61-T180 PolarHBondContact O-OG1 2.81Å; G61-T180 VanDerWaalsContact O-OG1 3.12Å
62T81.6Confident73.4Confident11 Ų1168.8 Ų68.87%0.06736%0.359CS..  trans-99.2161.5-179.891.20000112.3E64 E65 E173 R175T62-E64 VanDerWaalsContact C-N 3.32Å; T62-E64 PolarHBondContact O-N 2.93Å; T62-E65 HydrophobicContact CG2-CG 4.47Å; T62-E65 PolarHBondContact N-OE2 3.05Å; T62-E65 WeakPolarHBondContact O-CB 3.35Å; T62-E65 PolarHBondContact O-N 3.17Å; T62-E65 VanDerWaalsContact O-N 3.12Å; T62-E65 WeakPolarHBondContact OG1-CG 3.25Å; T62-E173 VanDerWaalsContact CG2-CD 3.44Å; T62-E173 WeakPolarHBondContact CG2-OE1 3.35Å; T62-E173 VanDerWaalsContact CG2-OE2 3.32Å; T62-E173 WeakPolarHBondContact CG2-OE2 3.27Å; T62-R175 VanDerWaalsContact CG2-NH2 3.3Å
63Y79.9Confident75.8Confident27 Ų2763.4 Ų63.411%0.10633%0.33CS..Hα-helixtrans-59.4-42.1-178.9-172.1-94.6000112.6E65 C66 H200 L202 E214 L231Y63-E65 PolarHBondContact O-N 3.14Å; Y63-C66 WeakPolarHBondContact O-CB 3.26Å; Y63-C66 PolarHBondContact O-N 3.3Å; Y63-H200 AromaticContact CD1-CE1 3.47Å; Y63-H200 VanDerWaalsContact CD1-CE1 3.47Å; Y63-H200 WeakPolarHBondContact CD1-CE1 3.38Å; Y63-H200 AromaticContact CD1-ND1 3.38Å; Y63-H200 WeakPolarHBondContact CD1-ND1 3.37Å; Y63-H200 HydrophobicContact CD2-CB 4.48Å; Y63-H200 AromaticContact CD2-ND1 3.77Å; Y63-H200 AromaticContact CE1-CE1 3.73Å; Y63-H200 AromaticContact CE1-ND1 3.7Å; Y63-H200 HydrophobicContact CG-CB 4.36Å; Y63-H200 AromaticContact CG-CE1 3.96Å; Y63-H200 AromaticContact CG-ND1 3.41Å; Y63-L202 VanDerWaalsContact CA-CD1 3.49Å; Y63-L202 HydrophobicContact CD2-CD1 4.04Å; Y63-L202 HydrophobicContact CD2-CG 4.32Å; Y63-L202 HydrophobicContact CG-CD1 4.45Å; Y63-E214 HydrophobicContact CE1-CB 4.27Å; Y63-E214 HydrophobicContact CE1-CG 4.48Å; Y63-E214 WeakPolarHBondContact CE1-OE2 3.44Å; Y63-E214 HydrophobicContact CE2-CB 3.92Å; Y63-E214 WeakPolarHBondContact OH-CB 3.31Å; Y63-E214 PolarHBondContact OH-OE2 3.21Å; Y63-L231 HydrophobicContact CD2-CB 4.48Å; Y63-L231 HydrophobicContact CD2-CD1 3.76Å; Y63-L231 HydrophobicContact CE2-CB 3.7Å; Y63-L231 HydrophobicContact CE2-CD1 3.35Å; Y63-L231 HydrophobicContact CE2-CG 4.12Å; Y63-L231 HydrophobicContact CG-CD1 4.47Å
64E76.9Confident78.3Confident128 Ų12861.4 Ų61.460%0.59831%0.309SS*.Hα-helixtrans-62.6-27.9177.9-60.6-176.7163.400112.6T62 C66T62-E64 VanDerWaalsContact C-N 3.32Å; T62-E64 PolarHBondContact O-N 2.93Å; E64-C66 VanDerWaalsContact C-N 3.3Å; E64-C66 PolarHBondContact O-N 3.27Å
65E80.9Confident80.7Confident54 Ų5454.3 Ų54.325%0.25227%0.271SS..Hα-helixtrans-75-20.8-177.5-56.2-170.6141.200113T62 Y63 H67 R68T62-E65 HydrophobicContact CG2-CG 4.47Å; T62-E65 PolarHBondContact N-OE2 3.05Å; T62-E65 WeakPolarHBondContact O-CB 3.35Å; T62-E65 PolarHBondContact O-N 3.17Å; T62-E65 VanDerWaalsContact O-N 3.12Å; T62-E65 WeakPolarHBondContact OG1-CG 3.25Å; Y63-E65 PolarHBondContact O-N 3.14Å; E65-H67 VanDerWaalsContact C-N 3.34Å; E65-H67 PolarHBondContact O-N 3Å; E65-R68 VanDerWaalsContact CG-CZ 3.4Å; E65-R68 VanDerWaalsContact CG-NH1 3.3Å; E65-R68 VanDerWaalsContact CG-NH2 3.28Å; E65-R68 PolarHBondContact O-N 3.22Å; E65-R68 IonicContact OE1-CZ 2.8Å; E65-R68 VanDerWaalsContact OE1-CZ 3.23Å; E65-R68 IonicContact OE1-NH1 3.85Å; E65-R68 PolarHBondContact OE1-NH1 3.2Å; E65-R68 IonicContact OE1-NH2 3.23Å; E65-R68 PolarHBondContact OE1-NH2 3.31Å; E65-R68 IonicContact OE2-NH2 2.8Å
66C82.4Confident82.5Confident4 Ų455.9 Ų55.93%0.02727%0.273CS..Hα-helixtrans-60.5-43.3-176-69.90000111.6Y63 E64 L231 T242Y63-C66 WeakPolarHBondContact O-CB 3.26Å; Y63-C66 PolarHBondContact O-N 3.3Å; E64-C66 VanDerWaalsContact C-N 3.3Å; E64-C66 PolarHBondContact O-N 3.27Å; C66-L231 HydrophobicContact CB-CD1 3.81Å; C66-L231 HydrophobicContact CB-CD2 4.22Å; C66-T242 HydrophobicContact CB-CG2 4.32Å; C66-T242 WeakPolarHBondContact O-CG2 3.1Å
67H85.8Confident83.6Confident22 Ų2257.8 Ų57.810%0.10227%0.272CS..Hα-helixtrans-93-12176.3-67.2-73.1000113.6E65 K69 C70 K71 T242 T244 H251 T253E65-H67 VanDerWaalsContact C-N 3.34Å; E65-H67 PolarHBondContact O-N 3Å; H67-K69 PolarHBondContact O-N 3.28Å; H67-C70 PolarHBondContact O-N 3.1Å; H67-K71 PolarHBondContact O-N 3.13Å; H67-T242 PolarHBondContact CE1-OG1 3.35Å; H67-T242 PolarHBondContact ND1-OG1 2.9Å; H67-T242 VanDerWaalsContact ND1-OG1 3.13Å; H67-T244 PolarHBondContact NE2-OG1 2.84Å; H67-H251 AromaticContact CD2-ND1 3.87Å; H67-H251 AromaticContact CE1-CE1 3.79Å; H67-H251 AromaticContact CE1-ND1 3.16Å; H67-H251 PolarHBondContact CE1-ND1 3.14Å; H67-H251 AromaticContact CG-CE1 3.84Å; H67-H251 AromaticContact CG-ND1 3.75Å; H67-H251 AromaticContact ND1-CE1 3.47Å; H67-H251 PolarHBondContact ND1-CE1 2.83Å; H67-H251 AromaticContact ND1-ND1 3.33Å; H67-H251 PolarHBondContact ND1-ND1 2.83Å; H67-H251 AromaticContact NE2-ND1 3.54Å; H67-T253 VanDerWaalsContact ND1-CG2 3.31Å; H67-T253 WeakPolarHBondContact ND1-CG2 3.32Å; H67-T253 PolarHBondContact ND1-OG1 2.82Å
68R87.7Confident84.1Confident105 Ų10557 Ų5740%0.39627%0.267SS..Hα-helixtrans-59.2-44.5-174.1-174.9173.867.2-152.6-4.6112.5E65 C70 K71 E72E65-R68 VanDerWaalsContact CG-CZ 3.4Å; E65-R68 VanDerWaalsContact CG-NH1 3.3Å; E65-R68 VanDerWaalsContact CG-NH2 3.28Å; E65-R68 PolarHBondContact O-N 3.22Å; E65-R68 IonicContact OE1-CZ 2.8Å; E65-R68 VanDerWaalsContact OE1-CZ 3.23Å; E65-R68 IonicContact OE1-NH1 3.85Å; E65-R68 PolarHBondContact OE1-NH1 3.2Å; E65-R68 IonicContact OE1-NH2 3.23Å; E65-R68 PolarHBondContact OE1-NH2 3.31Å; E65-R68 IonicContact OE2-NH2 2.8Å; R68-C70 VanDerWaalsContact C-N 3.29Å; R68-C70 PolarHBondContact O-N 3.05Å; R68-K71 PolarHBondContact O-N 2.78Å; R68-K71 VanDerWaalsContact O-N 3.15Å; R68-E72 WeakPolarHBondContact CD-OE1 3.48Å; R68-E72 HydrophobicContact CG-CG 4.11Å; R68-E72 VanDerWaalsContact CG-OE1 3.23Å; R68-E72 WeakPolarHBondContact CG-OE1 3.48Å; R68-E72 IonicContact NE-OE1 2.71Å; R68-E72 WeakPolarHBondContact O-CG 3.26Å; R68-E72 PolarHBondContact O-N 3.11Å
69K85.1Confident84.6Confident106 Ų10652 Ų5246%0.46124%0.244SC..Hα-helixtrans-58-40.4-179.4-73.1-170.3176.7-1770112.8H67 V240 Y255H67-K69 PolarHBondContact O-N 3.28Å; K69-V240 HydrophobicContact CD-CG2 4.32Å; K69-Y255 HydrophobicContact CB-CG 4.44Å
70C87.6Confident85Confident2 Ų250 Ų501%0.01424%0.236CC..Hα-helixtrans-73.3-44176.8-164.40000111H67 R68 E72 V73 F74 T253 V266H67-C70 PolarHBondContact O-N 3.1Å; R68-C70 VanDerWaalsContact C-N 3.29Å; R68-C70 PolarHBondContact O-N 3.05Å; C70-E72 VanDerWaalsContact C-N 3.29Å; C70-E72 PolarHBondContact O-N 2.76Å; C70-V73 WeakPolarHBondContact O-CB 3.24Å; C70-V73 PolarHBondContact O-N 2.96Å; C70-F74 WeakPolarHBondContact O-CD2 3.49Å; C70-F74 WeakPolarHBondContact O-CE2 3.36Å; C70-T253 HydrophobicContact CB-CG2 4.21Å; C70-V266 PolarHBondContact SG-O 3.08Å
71K87.3Confident85.6Confident119 Ų11951.7 Ų51.752%0.51725%0.246SC..Hα-helixtrans-60-34.5178.9-86.3-178.5172.8173.40113.7H67 R68 V73 F74H67-K71 PolarHBondContact O-N 3.13Å; R68-K71 PolarHBondContact O-N 2.78Å; R68-K71 VanDerWaalsContact O-N 3.15Å; K71-V73 VanDerWaalsContact C-N 3.28Å; K71-V73 PolarHBondContact O-N 2.88Å; K71-F74 PolarHBondContact O-N 3.19Å
72E88Confident86Confident81 Ų8156.3 Ų56.338%0.37926%0.259SS..Hα-helixtrans-67.5-24.2178.8-77.3174.9-178.900113.8L5 R68 C70 F74 Q284 K295L5-E72 HydrophobicContact CD2-CG 4.21Å; R68-E72 WeakPolarHBondContact CD-OE1 3.48Å; R68-E72 HydrophobicContact CG-CG 4.11Å; R68-E72 VanDerWaalsContact CG-OE1 3.23Å; R68-E72 WeakPolarHBondContact CG-OE1 3.48Å; R68-E72 IonicContact NE-OE1 2.71Å; R68-E72 WeakPolarHBondContact O-CG 3.26Å; R68-E72 PolarHBondContact O-N 3.11Å; C70-E72 VanDerWaalsContact C-N 3.29Å; C70-E72 PolarHBondContact O-N 2.76Å; E72-F74 VanDerWaalsContact C-N 3.3Å; E72-Q284 PolarHBondContact O-OE1 2.95Å; E72-K295 PolarHBondContact O-NZ 2.94Å
73V90.2Very high86.5Confident1 Ų158.5 Ų58.51%0.00627%0.27CS..Hα-helixtrans-71.5-28.7176.8178.50000111.5C70 K71 Y255 Q263 Q284C70-V73 WeakPolarHBondContact O-CB 3.24Å; C70-V73 PolarHBondContact O-N 2.96Å; K71-V73 VanDerWaalsContact C-N 3.28Å; K71-V73 PolarHBondContact O-N 2.88Å; V73-Y255 HydrophobicContact CG2-CD2 3.7Å; V73-Y255 HydrophobicContact CG2-CE2 3.61Å; V73-Q263 HydrophobicContact CG2-CB 4.46Å; V73-Q284 HydrophobicContact CG1-CB 3.91Å
74F90.6Very high87.1Confident26 Ų2657.7 Ų57.711%0.11427%0.268CS..SBendtrans-73.7143.2-177.9-67.1-83.1000112C70 K71 E72 E267 T297C70-F74 WeakPolarHBondContact O-CD2 3.49Å; C70-F74 WeakPolarHBondContact O-CE2 3.36Å; K71-F74 PolarHBondContact O-N 3.19Å; E72-F74 VanDerWaalsContact C-N 3.3Å; F74-E267 HydrophobicContact CE2-CB 3.88Å; F74-E267 WeakPolarHBondContact CE2-OE2 3.32Å; F74-E267 HydrophobicContact CZ-CB 3.69Å; F74-T297 WeakPolarHBondContact CD1-OG1 3.37Å
75P90.6Very high87.9Confident12 Ų1253.8 Ų53.88%0.07825%0.253CS..PPolyproline II helixtrans-69.1138.4173.827.8-30.8000110.8K295 T297 T307 F324P75-K295 HydrophobicContact CB-CB 3.89Å; P75-T297 HydrophobicContact CG-CG2 3.4Å; P75-T297 VanDerWaalsContact CG-CG2 3.4Å; P75-T307 VanDerWaalsContact CB-OG1 3.26Å; P75-T307 WeakPolarHBondContact CB-OG1 3.26Å; P75-F324 HydrophobicContact CB-CZ 4.05Å; P75-F324 HydrophobicContact CG-CE1 4.4Å; P75-F324 HydrophobicContact CG-CZ 3.96Å
76M86.8Confident88.4Confident93 Ų9353.3 Ų53.346%0.45825%0.252SS..PPolyproline II helixtrans-77.5133.7170.9-64.7-176.274.400110.2L5 M78 T307L5-M76 HydrophobicContact CD1-CE 4.29Å; L5-M76 HydrophobicContact CD1-CG 4.49Å; L5-M76 HydrophobicContact CD1-SD 3.61Å; M76-M78 PolarHBondContact O-N 3.45Å; M76-T307 PolarHBondContact O-OG1 3.11Å
77Q84.2Confident88.8Confident135 Ų13559.4 Ų59.463%0.63128%0.278SS*.PPolyproline II helixtrans-64.7124.2171.3-71.6177.93.700110.1F324Q77-F324 VanDerWaalsContact CA-CE2 3.45Å; Q77-F324 HydrophobicContact CB-CD2 4.35Å; Q77-F324 HydrophobicContact CB-CE2 4.1Å; Q77-F324 HydrophobicContact CB-CZ 4.24Å; Q77-F324 HydrophobicContact CG-CD1 3.7Å; Q77-F324 HydrophobicContact CG-CD2 3.85Å; Q77-F324 HydrophobicContact CG-CE1 3.44Å; Q77-F324 VanDerWaalsContact CG-CE1 3.44Å; Q77-F324 HydrophobicContact CG-CE2 3.65Å; Q77-F324 HydrophobicContact CG-CG 3.89Å; Q77-F324 HydrophobicContact CG-CZ 3.42Å; Q77-F324 VanDerWaalsContact CG-CZ 3.42Å
78M83.8Confident89Confident34 Ų3461.1 Ų61.117%0.16730%0.301CS..  trans-119.6133.6176.4-59.9-175.872.300108.5M76 T307 A320 C334 G335M76-M78 PolarHBondContact O-N 3.45Å; M78-T307 HydrophobicContact SD-CG2 4.3Å; M78-A320 HydrophobicContact CE-CB 4.07Å; M78-A320 HydrophobicContact SD-CB 4.01Å; M78-C334 CarbonylContact O-C 3.55Å; M78-G335 PolarHBondContact O-N 3.31Å
79E85.7Confident89.1Confident57 Ų5761.5 Ų61.527%0.26631%0.311SS..  trans-128137.3175.2-166.6-161.5135.700109.1S102 T103 L104E79-S102 PolarHBondContact OE1-OG 3.33Å; E79-S102 VanDerWaalsContact OE1-OG 3.1Å; E79-T103 PolarHBondContact OE1-OG1 2.89Å; E79-L104 VanDerWaalsContact OE1-CB 3.26Å; E79-L104 WeakPolarHBondContact OE1-CB 3.33Å; E79-L104 VanDerWaalsContact OE1-CG 3.28Å; E79-L104 WeakPolarHBondContact OE1-CG 3.45Å; E79-L104 PolarHBondContact OE1-N 2.77Å; E79-L104 VanDerWaalsContact OE1-N 3.09Å
80G88.2Confident89.2Confident12 Ų1259.2 Ų59.212%0.12431%0.308CS..EExtended strand (participates in β ladder)trans70.6-143.417600000112.7L101 C334 G335 F336G80-L101 CarbonylContact C-O 3.48Å; G80-L101 WeakPolarHBondContact CA-O 3.5Å; G80-C334 PolarHBondContact N-O 3.48Å; G80-G335 CarbonylContact O-C 3.58Å; G80-G335 WeakPolarHBondContact O-CA 3.45Å; G80-F336 PolarHBondContact O-N 3.47Å
81V91.4Very high89.1Confident42 Ų4266.9 Ų66.926%0.25535%0.349SS..EExtended strand (participates in β ladder)trans-117.7121.4-175.3-171.30000110.2L101 F336V81-L101 HydrophobicContact CB-CB 4.15Å; V81-L101 HydrophobicContact CB-CD1 4.14Å; V81-L101 HydrophobicContact CG1-CD1 4.5Å; V81-L101 PolarHBondContact N-O 2.81Å; V81-L101 PolarHBondContact O-N 3.27Å; V81-F336 WeakPolarHBondContact CA-O 3.14Å; V81-F336 HydrophobicContact CB-CE2 4.23Å; V81-F336 HydrophobicContact CB-CZ 4.11Å; V81-F336 HydrophobicContact CG1-CD2 4.03Å; V81-F336 HydrophobicContact CG1-CE2 3.46Å; V81-F336 VanDerWaalsContact CG1-CE2 3.46Å; V81-F336 HydrophobicContact CG1-CZ 3.78Å; V81-F336 HydrophobicContact CG2-CD1 4.2Å; V81-F336 HydrophobicContact CG2-CE1 3.46Å; V81-F336 VanDerWaalsContact CG2-CE1 3.46Å; V81-F336 HydrophobicContact CG2-CE2 3.87Å; V81-F336 HydrophobicContact CG2-CZ 3.26Å
82R91.3Very high89.1Confident112 Ų11265.1 Ų65.142%0.42334%0.342SS..EExtended strand (participates in β ladder)trans-116.4110.2175.8-172.8-179.8172.9-167.2-3.2110.9V84 T98 I99 F336 G337 V338R82-V84 HydrophobicContact CG-CG2 4.05Å; R82-T98 HydrophobicContact CG-CG2 4.33Å; R82-I99 CarbonylContact C-O 3.54Å; R82-I99 WeakPolarHBondContact CA-O 3.25Å; R82-F336 PolarHBondContact N-O 2.83Å; R82-G337 CarbonylContact O-C 3.54Å; R82-G337 WeakPolarHBondContact O-CA 3.43Å; R82-V338 PolarHBondContact O-N 3.17Å
83L92.8Very high89.1Confident56 Ų5664.7 Ų64.729%0.29334%0.34SS..EExtended strand (participates in β ladder)trans-101.2119.8172.9178.164000109.2V85 T98 I99 V338 I340L83-V85 HydrophobicContact CD1-CG2 4.38Å; L83-V85 HydrophobicContact CG-CG2 4.21Å; L83-T98 CarbonylContact O-C 3.51Å; L83-T98 WeakPolarHBondContact O-CA 3.47Å; L83-I99 HydrophobicContact CB-CB 4.34Å; L83-I99 HydrophobicContact CD2-CD1 4.21Å; L83-I99 PolarHBondContact N-O 2.8Å; L83-I99 PolarHBondContact O-N 2.9Å; L83-V338 CarbonylContact C-O 3.59Å; L83-V338 WeakPolarHBondContact CA-O 3.18Å; L83-V338 HydrophobicContact CD1-CB 3.91Å; L83-V338 HydrophobicContact CD1-CG1 4.13Å; L83-I340 HydrophobicContact CD1-CD1 4.06Å; L83-I340 HydrophobicContact CD1-CG1 4.38Å
84V92.9Very high89.2Confident10 Ų1068.8 Ų68.86%0.06136%0.359CS..EExtended strand (participates in β ladder)trans-115.3122.7175.1-177.10000108.4R82 H97 T98 V338 T339 I340R82-V84 HydrophobicContact CG-CG2 4.05Å; V84-H97 CarbonylContact C-O 3.49Å; V84-H97 WeakPolarHBondContact CA-O 3.33Å; V84-T98 HydrophobicContact CG2-CG2 4.1Å; V84-V338 PolarHBondContact N-O 2.7Å; V84-T339 HydrophobicContact CB-CG2 4.16Å; V84-T339 HydrophobicContact CG1-CG2 4.31Å; V84-T339 CarbonylContact O-C 3.58Å; V84-T339 VanDerWaalsContact O-CA 3.31Å; V84-T339 WeakPolarHBondContact O-CA 3.08Å; V84-I340 PolarHBondContact O-N 2.89Å
85V92.8Very high89.3Confident47 Ų4768.2 Ų68.229%0.28536%0.357SS..EExtended strand (participates in β ladder)trans-116109.8174.6-174.10000108.4L83 S96 H97 I340L83-V85 HydrophobicContact CD1-CG2 4.38Å; L83-V85 HydrophobicContact CG-CG2 4.21Å; V85-S96 CarbonylContact O-C 3.46Å; V85-S96 WeakPolarHBondContact O-CA 3.21Å; V85-H97 HydrophobicContact CB-CB 4.26Å; V85-H97 PolarHBondContact N-O 3.01Å; V85-H97 PolarHBondContact O-N 3.05Å; V85-I340 CarbonylContact C-O 3.58Å; V85-I340 WeakPolarHBondContact CA-O 3.31Å; V85-I340 HydrophobicContact CG1-CB 4.45Å; V85-I340 HydrophobicContact CG2-CB 4.44Å; V85-I340 HydrophobicContact CG2-CD1 4.25Å
86N91.4Very high89.4Confident44 Ų4468.8 Ų68.824%0.23536%0.361CS..EExtended strand (participates in β ladder)trans-100.7126.5177.4-68.9-28.4000108.9V95 S96 I340 G341N86-V95 CarbonylContact C-O 3.47Å; N86-V95 WeakPolarHBondContact CA-O 3.49Å; N86-S96 WeakPolarHBondContact OD1-CB 3.31Å; N86-S96 PolarHBondContact OD1-OG 3.13Å; N86-I340 PolarHBondContact N-O 2.89Å; N86-G341 WeakPolarHBondContact O-CA 3.46Å
87K90.8Very high89.8Confident131 Ų13167.3 Ų67.357%0.5735%0.353SS*.EExtended strand (participates in β ladder)trans-128.7111.7177.2-170168.8-174.9170.60109.6L89 V95K87-L89 HydrophobicContact CD-CD2 4.26Å; K87-L89 HydrophobicContact CG-CD2 4.17Å; K87-L89 PolarHBondContact O-N 3.15Å; K87-V95 PolarHBondContact N-O 3.3Å; K87-V95 PolarHBondContact O-N 3.19Å
88G90Very high90.2Very high58 Ų5861.7 Ų61.760%0.59833%0.328SS*.EExtended strand (participates in β ladder)trans-73.5117.1167.200000109.7
89L88.8Confident90.6Very high113 Ų11363.1 Ų63.159%0.59234%0.336SS*.EExtended strand (participates in β ladder)trans-88.1-29.8171.1-59.4-177.5000110.9K87 F93 V95K87-L89 HydrophobicContact CD-CD2 4.26Å; K87-L89 HydrophobicContact CG-CD2 4.17Å; K87-L89 PolarHBondContact O-N 3.15Å; L89-F93 HydrophobicContact CB-CD1 4.19Å; L89-F93 HydrophobicContact CD1-CD1 3.9Å; L89-F93 HydrophobicContact CD1-CE1 3.92Å; L89-F93 HydrophobicContact CG-CD1 4.33Å; L89-F93 PolarHBondContact N-O 2.64Å; L89-V95 HydrophobicContact CD1-CG2 3.96Å; L89-V95 HydrophobicContact CG-CG2 4.33Å
90S88.8Confident90.8Very high59 Ų5962.9 Ų62.941%0.41334%0.338SS..EExtended strand (participates in β ladder)trans-151.1171.6170.473.50000110H92 F93S90-H92 PolarHBondContact O-N 3.08Å; S90-H92 VanDerWaalsContact O-N 3.1Å; S90-H92 PolarHBondContact OG-N 3.45Å; S90-F93 PolarHBondContact N-O 3.36Å; S90-F93 VanDerWaalsContact N-O 3.14Å; S90-F93 PolarHBondContact O-N 3.09Å; S90-F93 VanDerWaalsContact O-N 3.13Å; S90-F93 VanDerWaalsContact O-O 3.06Å; S90-F93 WeakPolarHBondContact OG-CB 3.2Å; S90-F93 PolarHBondContact OG-N 3.06Å; S90-F93 VanDerWaalsContact OG-N 3.1Å
91N84.4Confident90.9Very high162 Ų16266.4 Ų66.487%0.86635%0.354SS*.THydrogen-bonded Turntrans-59.3-22.3174.5-64.9-13.9000113.4
92H86.8Confident90.6Very high82 Ų8265.9 Ų65.938%0.3835%0.352SS..THydrogen-bonded Turntrans-101.9-11.7-178.3-60.298.8000112.5S90 Y115 V116S90-H92 PolarHBondContact O-N 3.08Å; S90-H92 VanDerWaalsContact O-N 3.1Å; S90-H92 PolarHBondContact OG-N 3.45Å; H92-Y115 HydrophobicContact CB-CD2 4.48Å; H92-Y115 HydrophobicContact CB-CE2 4.06Å; H92-Y115 CarbonylContact O-C 3.54Å; H92-Y115 VanDerWaalsContact O-CA 3.28Å; H92-Y115 WeakPolarHBondContact O-CA 3.42Å; H92-Y115 VanDerWaalsContact O-CD2 3.25Å; H92-Y115 WeakPolarHBondContact O-CD2 3.48Å; H92-V116 WeakPolarHBondContact CA-O 3.49Å; H92-V116 WeakPolarHBondContact CB-O 3.49Å; H92-V116 PolarHBondContact CD2-O 3.07Å; H92-V116 PolarHBondContact O-N 2.84Å
93F89.6Confident89.8Confident73 Ų7366.2 Ų66.232%0.3237%0.367SS..EExtended strand (participates in β ladder)trans-138.7116.5-172.2-167.5-102.9000111.8L89 S90 V95 T114 Y115L89-F93 HydrophobicContact CB-CD1 4.19Å; L89-F93 HydrophobicContact CD1-CD1 3.9Å; L89-F93 HydrophobicContact CD1-CE1 3.92Å; L89-F93 HydrophobicContact CG-CD1 4.33Å; L89-F93 PolarHBondContact N-O 2.64Å; S90-F93 PolarHBondContact N-O 3.36Å; S90-F93 VanDerWaalsContact N-O 3.14Å; S90-F93 PolarHBondContact O-N 3.09Å; S90-F93 VanDerWaalsContact O-N 3.13Å; S90-F93 VanDerWaalsContact O-O 3.06Å; S90-F93 WeakPolarHBondContact OG-CB 3.2Å; S90-F93 PolarHBondContact OG-N 3.06Å; S90-F93 VanDerWaalsContact OG-N 3.1Å; F93-V95 HydrophobicContact CD1-CG2 4.03Å; F93-V95 HydrophobicContact CE1-CG2 3.36Å; F93-V95 HydrophobicContact CZ-CG2 4.04Å; F93-T114 WeakPolarHBondContact CA-O 3.47Å; F93-Y115 HydrophobicContact CD2-CD2 4.15Å
94Q90.8Very high89Confident87 Ų8769.9 Ų69.941%0.40739%0.386SS..EExtended strand (participates in β ladder)trans-120.9137.4178.7-177.2177.2-10.200109.9T114Q94-T114 PolarHBondContact N-O 2.81Å; Q94-T114 PolarHBondContact O-N 2.78Å
95V93.8Very high88.1Confident13 Ų1371.4 Ų71.48%0.07940%0.403CS..EExtended strand (participates in β ladder)trans-113.2138.8175.1-179.40000108.6N86 K87 L89 F93 F111N86-V95 CarbonylContact C-O 3.47Å; N86-V95 WeakPolarHBondContact CA-O 3.49Å; K87-V95 PolarHBondContact N-O 3.3Å; K87-V95 PolarHBondContact O-N 3.19Å; L89-V95 HydrophobicContact CD1-CG2 3.96Å; L89-V95 HydrophobicContact CG-CG2 4.33Å; F93-V95 HydrophobicContact CD1-CG2 4.03Å; F93-V95 HydrophobicContact CE1-CG2 3.36Å; F93-V95 HydrophobicContact CZ-CG2 4.04Å; V95-F111 HydrophobicContact CG1-CD2 4.21Å; V95-F111 HydrophobicContact CG1-CE2 3.24Å; V95-F111 HydrophobicContact CG1-CZ 3.59Å
96S93.3Very high87.4Confident24 Ų2476.8 Ų76.817%0.16843%0.431CS..EExtended strand (participates in β ladder)trans-126.9133.1178.5-1730000110.2V85 N86 G112V85-S96 CarbonylContact O-C 3.46Å; V85-S96 WeakPolarHBondContact O-CA 3.21Å; N86-S96 WeakPolarHBondContact OD1-CB 3.31Å; N86-S96 PolarHBondContact OD1-OG 3.13Å; S96-G112 PolarHBondContact N-O 3.13Å; S96-G112 PolarHBondContact O-N 2.9Å
97H93.9Very high87.2Confident63 Ų6377.7 Ų77.729%0.29244%0.441SS..EExtended strand (participates in β ladder)trans-113.9111.8172.9-61.4-95.5000107.6V84 V85 Y109 F111V84-H97 CarbonylContact C-O 3.49Å; V84-H97 WeakPolarHBondContact CA-O 3.33Å; V85-H97 HydrophobicContact CB-CB 4.26Å; V85-H97 PolarHBondContact N-O 3.01Å; V85-H97 PolarHBondContact O-N 3.05Å; H97-Y109 HydrophobicContact CB-CE2 4.11Å; H97-Y109 PolarHBondContact CE1-OH 3.18Å; H97-Y109 AromaticContact ND1-CE2 3.99Å; H97-Y109 AromaticContact ND1-CZ 3.74Å; H97-Y109 PolarHBondContact ND1-OH 3.45Å; H97-F111 AromaticContact CE1-CD2 3.62Å; H97-F111 AromaticContact CE1-CE2 3.61Å; H97-F111 AromaticContact ND1-CD2 3.81Å; H97-F111 AromaticContact NE2-CE2 3.99Å
98T92.3Very high87.1Confident17 Ų1772.6 Ų72.610%0.10443%0.425CS..EExtended strand (participates in β ladder)trans-109.8117177.2-63.90000109.5R82 L83 V84 R110R82-T98 HydrophobicContact CG-CG2 4.33Å; L83-T98 CarbonylContact O-C 3.51Å; L83-T98 WeakPolarHBondContact O-CA 3.47Å; V84-T98 HydrophobicContact CG2-CG2 4.1Å; T98-R110 PolarHBondContact N-O 2.93Å; T98-R110 PolarHBondContact O-N 2.82Å
99I92.9Very high87.1Confident63 Ų6374.3 Ų74.332%0.32341%0.414SS..EExtended strand (participates in β ladder)trans-105.3118.5170.6-62159.3000106.9R82 L83 L101 Y109R82-I99 CarbonylContact C-O 3.54Å; R82-I99 WeakPolarHBondContact CA-O 3.25Å; L83-I99 HydrophobicContact CB-CB 4.34Å; L83-I99 HydrophobicContact CD2-CD1 4.21Å; L83-I99 PolarHBondContact N-O 2.8Å; L83-I99 PolarHBondContact O-N 2.9Å; I99-L101 HydrophobicContact CG2-CD1 4.43Å; I99-L101 HydrophobicContact CG2-CG 4.23Å; I99-Y109 HydrophobicContact CG1-CD2 3.71Å; I99-Y109 HydrophobicContact CG1-CE2 4.35Å
100T90.5Very high87.3Confident52 Ų5274 Ų7432%0.31941%0.405SS..EExtended strand (participates in β ladder)trans-114.5116175.4-56.30000108.3S107 G108T100-S107 CarbonylContact O-C 3.47Å; T100-S107 VanDerWaalsContact O-CA 3.29Å; T100-S107 WeakPolarHBondContact O-CA 3.5Å; T100-G108 PolarHBondContact N-O 2.88Å; T100-G108 PolarHBondContact O-N 2.84Å
101L89.4Confident87.5Confident86 Ų8675 Ų7545%0.4540%0.402SS..EExtended strand (participates in β ladder)trans-104.4111173.7-65.3154.3000107.2G80 V81 I99 S107G80-L101 CarbonylContact C-O 3.48Å; G80-L101 WeakPolarHBondContact CA-O 3.5Å; V81-L101 HydrophobicContact CB-CB 4.15Å; V81-L101 HydrophobicContact CB-CD1 4.14Å; V81-L101 HydrophobicContact CG1-CD1 4.5Å; V81-L101 PolarHBondContact N-O 2.81Å; V81-L101 PolarHBondContact O-N 3.27Å; I99-L101 HydrophobicContact CG2-CD1 4.43Å; I99-L101 HydrophobicContact CG2-CG 4.23Å; L101-S107 WeakPolarHBondContact CA-OG 3.28Å
102S84.5Confident87.9Confident32 Ų3267.9 Ų67.922%0.22437%0.367CS..  trans-104.5150.8177.2177.90000110.4E79 L104 G105 S107E79-S102 PolarHBondContact OE1-OG 3.33Å; E79-S102 VanDerWaalsContact OE1-OG 3.1Å; S102-L104 PolarHBondContact OG-N 2.95Å; S102-G105 PolarHBondContact OG-N 2.74Å; S102-S107 PolarHBondContact N-OG 3.28Å
103T75.9Confident88.2Confident118 Ų11865.7 Ų65.772%0.72436%0.361SS*.SBendtrans-90.4-25.5173.943.60000112.8E79E79-T103 PolarHBondContact OE1-OG1 2.89Å
104L74.4Confident88.3Confident134 Ų13464 Ų6470%0.70236%0.357SS*.SBendtrans-106.5-25.6-178.1-64173.3000113.1E79 S102E79-L104 VanDerWaalsContact OE1-CB 3.26Å; E79-L104 WeakPolarHBondContact OE1-CB 3.33Å; E79-L104 VanDerWaalsContact OE1-CG 3.28Å; E79-L104 WeakPolarHBondContact OE1-CG 3.45Å; E79-L104 PolarHBondContact OE1-N 2.77Å; E79-L104 VanDerWaalsContact OE1-N 3.09Å; S102-L104 PolarHBondContact OG-N 2.95Å
105G74.7Confident88.3Confident41 Ų4164.5 Ų64.542%0.42336%0.356SS..SBendtrans-118.5-173.2-179.400000113.2S102S102-G105 PolarHBondContact OG-N 2.74Å
106D78.9Confident87.9Confident161 Ų16165.9 Ų65.986%0.86136%0.364SS*.  trans-72.3135.3179.6-65.1-39.8000111.4
107S86.6Confident87.4Confident63 Ų6364.8 Ų64.844%0.44136%0.357SS..  trans-77.6130.5169.4-66.30000109.4T100 L101 S102T100-S107 CarbonylContact O-C 3.47Å; T100-S107 VanDerWaalsContact O-CA 3.29Å; T100-S107 WeakPolarHBondContact O-CA 3.5Å; L101-S107 WeakPolarHBondContact CA-OG 3.28Å; S102-S107 PolarHBondContact N-OG 3.28Å
108G87.9Confident86.4Confident24 Ų2466.3 Ų66.325%0.24737%0.374CS..EExtended strand (participates in β ladder)trans-135144.9-171.200000112T100T100-G108 PolarHBondContact N-O 2.88Å; T100-G108 PolarHBondContact O-N 2.84Å
109Y91.8Very high85.1Confident93 Ų9371.3 Ų71.337%0.36540%0.395SS..EExtended strand (participates in β ladder)trans-106132.1164.9170.3-102.2000108.8H97 I99 F111 N136H97-Y109 HydrophobicContact CB-CE2 4.11Å; H97-Y109 PolarHBondContact CE1-OH 3.18Å; H97-Y109 AromaticContact ND1-CE2 3.99Å; H97-Y109 AromaticContact ND1-CZ 3.74Å; H97-Y109 PolarHBondContact ND1-OH 3.45Å; I99-Y109 HydrophobicContact CG1-CD2 3.71Å; I99-Y109 HydrophobicContact CG1-CE2 4.35Å; Y109-F111 HydrophobicContact CE1-CB 4.01Å; Y109-N136 PolarHBondContact O-N 3.12Å
110R91.5Very high83.6Confident106 Ų10675.2 Ų75.240%0.441%0.412SS..EExtended strand (participates in β ladder)trans-126123.1178.5-178.3178.2-65.8-154.79109.6T98 D133 M134T98-R110 PolarHBondContact N-O 2.93Å; T98-R110 PolarHBondContact O-N 2.82Å; R110-D133 WeakPolarHBondContact CD-OD2 3.32Å; R110-D133 HydrophobicContact CG-CB 3.94Å; R110-D133 IonicContact CZ-OD2 3.31Å; R110-D133 IonicContact NE-OD2 2.68Å; R110-D133 PolarHBondContact NE-OD2 2.81Å; R110-D133 IonicContact NH1-OD2 3.94Å; R110-D133 PolarHBondContact NH1-OD2 3.1Å; R110-M134 WeakPolarHBondContact CA-O 3.38Å
111F93.4Very high82.2Confident80 Ų8075.8 Ų75.835%0.35142%0.415SS..EExtended strand (participates in β ladder)trans-97.3121.1172.6178.3-101.7000109V95 H97 Y109 D133 M134V95-F111 HydrophobicContact CG1-CD2 4.21Å; V95-F111 HydrophobicContact CG1-CE2 3.24Å; V95-F111 HydrophobicContact CG1-CZ 3.59Å; H97-F111 AromaticContact CE1-CD2 3.62Å; H97-F111 AromaticContact CE1-CE2 3.61Å; H97-F111 AromaticContact ND1-CD2 3.81Å; H97-F111 AromaticContact NE2-CE2 3.99Å; Y109-F111 HydrophobicContact CE1-CB 4.01Å; F111-D133 CarbonylContact O-C 3.56Å; F111-D133 VanDerWaalsContact O-CA 3.28Å; F111-D133 WeakPolarHBondContact O-CA 3.42Å; F111-M134 PolarHBondContact N-O 2.8Å; F111-M134 PolarHBondContact O-N 2.83Å
112G93Very high80.7Confident13 Ų1372.9 Ų72.913%0.13441%0.406CS..EExtended strand (participates in β ladder)trans-112.8143.4176.600000111.2S96 G132S96-G112 PolarHBondContact N-O 3.13Å; S96-G112 PolarHBondContact O-N 2.9Å; G112-G132 CarbonylContact C-O 3.55Å; G112-G132 WeakPolarHBondContact CA-O 3.3Å
113S93Very high79.1Confident37 Ų3778.5 Ų78.526%0.25944%0.442SS..EExtended strand (participates in β ladder)trans-131.3142168.662.20000109.2V131 G132S113-V131 WeakPolarHBondContact O-CA 3.39Å; S113-G132 PolarHBondContact N-O 2.78Å; S113-G132 PolarHBondContact O-N 2.85Å
114T91.6Very high78.2Confident37 Ų3776.4 Ų76.423%0.22744%0.436CS..EExtended strand (participates in β ladder)trans-131.7122.7177.4-59.70000108.5F93 Q94 V116 V129 I130 V131F93-T114 WeakPolarHBondContact CA-O 3.47Å; Q94-T114 PolarHBondContact N-O 2.81Å; Q94-T114 PolarHBondContact O-N 2.78Å; T114-V116 HydrophobicContact CG2-CG2 4.22Å; T114-V129 HydrophobicContact CG2-CG1 4.46Å; T114-I130 CarbonylContact C-O 3.6Å; T114-I130 WeakPolarHBondContact CA-O 3.3Å; T114-V131 HydrophobicContact CG2-CG2 3.96Å
115Y90.1Very high77.8Confident97 Ų9773.4 Ų73.438%0.3842%0.419SS..EExtended strand (participates in β ladder)trans-110.8127.8172.3177.8-102.2000109.2H92 F93 V129 I130H92-Y115 HydrophobicContact CB-CD2 4.48Å; H92-Y115 HydrophobicContact CB-CE2 4.06Å; H92-Y115 CarbonylContact O-C 3.54Å; H92-Y115 VanDerWaalsContact O-CA 3.28Å; H92-Y115 WeakPolarHBondContact O-CA 3.42Å; H92-Y115 VanDerWaalsContact O-CD2 3.25Å; H92-Y115 WeakPolarHBondContact O-CD2 3.48Å; F93-Y115 HydrophobicContact CD2-CD2 4.15Å; Y115-V129 CarbonylContact O-C 3.5Å; Y115-V129 WeakPolarHBondContact O-CA 3.17Å; Y115-I130 HydrophobicContact CD1-CD1 4.35Å; Y115-I130 PolarHBondContact N-O 2.8Å; Y115-I130 PolarHBondContact O-N 2.85Å
116V86.8Confident77.4Confident43 Ų4372.8 Ų72.826%0.26141%0.408SS..EExtended strand (participates in β ladder)trans-114.2122174.6-179.30000107H92 T114 S126 V129H92-V116 WeakPolarHBondContact CA-O 3.49Å; H92-V116 WeakPolarHBondContact CB-O 3.49Å; H92-V116 PolarHBondContact CD2-O 3.07Å; H92-V116 PolarHBondContact O-N 2.84Å; T114-V116 HydrophobicContact CG2-CG2 4.22Å; V116-S126 VanDerWaalsContact CG1-CB 3.4Å; V116-V129 HydrophobicContact CG1-CG2 4.46Å; V116-V129 HydrophobicContact CG2-CG1 4.44Å
117G82.1Confident77.2Confident1 Ų165.7 Ų65.71%0.0137%0.37CS..EExtended strand (participates in β ladder)trans-71.2169.8-179.100000113.1S126 F127 P128G117-S126 WeakPolarHBondContact O-CB 3.34Å; G117-F127 CarbonylContact C-O 3.57Å; G117-P128 PolarHBondContact N-O 2.83Å
118S73.1Confident77.1Confident94 Ų9464.4 Ų64.466%0.65736%0.36SS*.EExtended strand (participates in β ladder)trans-88.1-7.8-175.653.20000114.5Q120S118-Q120 PolarHBondContact O-N 2.87Å
119K64.4Low77.1Confident122 Ų12264.7 Ų64.753%0.5336%0.357SS..EExtended strand (participates in β ladder)trans-8092.9-179.5-167.4-179.3179.3-174.40109.1T121 F127K119-T121 PolarHBondContact O-N 2.92Å; K119-F127 WeakPolarHBondContact CB-O 3.39Å; K119-F127 PolarHBondContact N-O 2.96Å; K119-F127 PolarHBondContact O-N 3.44Å
120Q63.2Low77.1Confident145 Ų14563.7 Ų63.768%0.67836%0.357SS*.EExtended strand (participates in β ladder)trans-77.8111.6170.3-82.7178.2-7.600109.5S118 S126S118-Q120 PolarHBondContact O-N 2.87Å; Q120-S126 VanDerWaalsContact CG-OG 3.25Å; Q120-S126 WeakPolarHBondContact CG-OG 3.43Å
121T59.5Low77.1Confident65 Ų6560.8 Ų60.840%0.39935%0.35SS..EExtended strand (participates in β ladder)trans-94.3-14.5173.2-38.10000111.1K119 E125 Q147K119-T121 PolarHBondContact O-N 2.92Å; T121-E125 PolarHBondContact N-O 3.01Å; T121-E125 VanDerWaalsContact N-O 3.15Å; T121-Q147 PolarHBondContact OG1-OE1 3.48Å
122G57.5Low77.1Confident25 Ų2557.7 Ų57.726%0.25834%0.341SS..EExtended strand (participates in β ladder)trans-156.4176.2175.900000113.6A124 E125G122-A124 PolarHBondContact O-N 2.97Å; G122-A124 VanDerWaalsContact O-N 3.09Å; G122-E125 PolarHBondContact O-N 2.91Å
123P52.4Low77Confident149 Ų14958.2 Ų58.297%0.96834%0.341SS*.THydrogen-bonded Turntrans-61.8-20.7-173.4-20.430.8000114.8
124A55.9Low76.9Confident74 Ų7461.1 Ų61.161%0.61235%0.352SS*.THydrogen-bonded Turntrans-131.54-177.500000113.6G122G122-A124 PolarHBondContact O-N 2.97Å; G122-A124 VanDerWaalsContact O-N 3.09Å
125E66.8Low76.8Confident72 Ų7261 Ų6134%0.33635%0.35SS..EExtended strand (participates in β ladder)trans-124108-174.6-64.2-164.2156.600111.2T121 G122 F127 R153T121-E125 PolarHBondContact N-O 3.01Å; T121-E125 VanDerWaalsContact N-O 3.15Å; G122-E125 PolarHBondContact O-N 2.91Å; E125-F127 HydrophobicContact CB-CD2 4.46Å; E125-F127 HydrophobicContact CB-CE2 3.71Å; E125-F127 HydrophobicContact CB-CZ 4.26Å; E125-F127 HydrophobicContact CG-CE2 4.47Å; E125-R153 IonicContact OE1-CZ 2.64Å; E125-R153 IonicContact OE1-NH2 2.93Å; E125-R153 PolarHBondContact OE1-NH2 2.79Å; E125-R153 IonicContact OE2-NH2 3.89Å; E125-R153 PolarHBondContact OE2-NH2 2.8Å
126S65.8Low76.5Confident28 Ų2861.6 Ų61.620%0.19636%0.359CS..EExtended strand (participates in β ladder)trans-110130.5174.1-64.80000109.7V116 G117 Q120 V129V116-S126 VanDerWaalsContact CG1-CB 3.4Å; G117-S126 WeakPolarHBondContact O-CB 3.34Å; Q120-S126 VanDerWaalsContact CG-OG 3.25Å; Q120-S126 WeakPolarHBondContact CG-OG 3.43Å; S126-V129 WeakPolarHBondContact O-CG2 3.3Å
127F75.7Confident76.4Confident12 Ų1262.8 Ų62.85%0.05337%0.367CS..EExtended strand (participates in β ladder)trans-128.7159.5-179.5-66.4-74.1000111.7G117 K119 E125 V129 I145 Q147G117-F127 CarbonylContact C-O 3.57Å; K119-F127 WeakPolarHBondContact CB-O 3.39Å; K119-F127 PolarHBondContact N-O 2.96Å; K119-F127 PolarHBondContact O-N 3.44Å; E125-F127 HydrophobicContact CB-CD2 4.46Å; E125-F127 HydrophobicContact CB-CE2 3.71Å; E125-F127 HydrophobicContact CB-CZ 4.26Å; E125-F127 HydrophobicContact CG-CE2 4.47Å; F127-V129 HydrophobicContact CD1-CG2 4.26Å; F127-I145 HydrophobicContact CD1-CG2 4.22Å; F127-I145 HydrophobicContact CE1-CG2 3.73Å; F127-Q147 HydrophobicContact CB-CB 4.29Å; F127-Q147 HydrophobicContact CD1-CB 4.38Å; F127-Q147 HydrophobicContact CD2-CB 3.65Å; F127-Q147 HydrophobicContact CD2-CG 4.49Å; F127-Q147 HydrophobicContact CE2-CB 4.01Å; F127-Q147 HydrophobicContact CG-CB 3.85Å
128P83.7Confident76.4Confident36 Ų3663.8 Ų63.823%0.23438%0.377CS..EExtended strand (participates in β ladder)cis-65.4150.9-1225.2-33.4000113.3G117 I145G117-P128 PolarHBondContact N-O 2.83Å; P128-I145 CarbonylContact C-O 3.49Å; P128-I145 WeakPolarHBondContact CA-O 3.49Å
129V87.9Confident77.1Confident30 Ų3060.2 Ų60.218%0.18235%0.352CS..EExtended strand (participates in β ladder)trans-106.6121.6166.6-1770000108T114 Y115 V116 S126 F127 V131 I145T114-V129 HydrophobicContact CG2-CG1 4.46Å; Y115-V129 CarbonylContact O-C 3.5Å; Y115-V129 WeakPolarHBondContact O-CA 3.17Å; V116-V129 HydrophobicContact CG1-CG2 4.46Å; V116-V129 HydrophobicContact CG2-CG1 4.44Å; S126-V129 WeakPolarHBondContact O-CG2 3.3Å; F127-V129 HydrophobicContact CD1-CG2 4.26Å; V129-V131 HydrophobicContact CG1-CG2 4.11Å; V129-I145 HydrophobicContact CB-CB 4.39Å; V129-I145 PolarHBondContact N-O 2.71Å; V129-I145 PolarHBondContact O-N 2.8Å
130I91.3Very high78.3Confident71 Ų7157.7 Ų57.736%0.36434%0.344SS..EExtended strand (participates in β ladder)trans-117.8121177.1-56.7173.4000107.2T114 Y115 Q143 V144T114-I130 CarbonylContact C-O 3.6Å; T114-I130 WeakPolarHBondContact CA-O 3.3Å; Y115-I130 HydrophobicContact CD1-CD1 4.35Å; Y115-I130 PolarHBondContact N-O 2.8Å; Y115-I130 PolarHBondContact O-N 2.85Å; I130-Q143 CarbonylContact C-O 3.59Å; I130-Q143 WeakPolarHBondContact CA-O 3.49Å; I130-V144 HydrophobicContact CG1-CG1 4.27Å; I130-V144 HydrophobicContact CG1-CG2 4.37Å; I130-V144 HydrophobicContact CG2-CG2 4.25Å
131V91.5Very high79.6Confident45 Ų4553 Ų5327%0.27332%0.324SS..EExtended strand (participates in β ladder)trans-117.2131174.5-175.60000107.3S113 T114 V129 A142 Q143S113-V131 WeakPolarHBondContact O-CA 3.39Å; T114-V131 HydrophobicContact CG2-CG2 3.96Å; V129-V131 HydrophobicContact CG1-CG2 4.11Å; V131-A142 CarbonylContact O-C 3.39Å; V131-A142 WeakPolarHBondContact O-CA 3.43Å; V131-Q143 HydrophobicContact CB-CB 4.46Å; V131-Q143 PolarHBondContact N-O 2.77Å; V131-Q143 PolarHBondContact O-N 2.84Å
132G92.9Very high81.1Confident15 Ų1551.2 Ų51.216%0.15532%0.315CS..EExtended strand (participates in β ladder)trans-136.6125.1173.100000110G112 S113 N141G112-G132 CarbonylContact C-O 3.55Å; G112-G132 WeakPolarHBondContact CA-O 3.3Å; S113-G132 PolarHBondContact N-O 2.78Å; S113-G132 PolarHBondContact O-N 2.85Å; G132-N141 CarbonylContact C-O 3.56Å; G132-N141 WeakPolarHBondContact CA-O 3.5Å
133D91.3Very high82.8Confident24 Ų2452.5 Ų52.513%0.12832%0.315CS..EExtended strand (participates in β ladder)trans-121.3136.9171.370.6-88.1000112.2R110 F111 L140 N141R110-D133 WeakPolarHBondContact CD-OD2 3.32Å; R110-D133 HydrophobicContact CG-CB 3.94Å; R110-D133 IonicContact CZ-OD2 3.31Å; R110-D133 IonicContact NE-OD2 2.68Å; R110-D133 PolarHBondContact NE-OD2 2.81Å; R110-D133 IonicContact NH1-OD2 3.94Å; R110-D133 PolarHBondContact NH1-OD2 3.1Å; F111-D133 CarbonylContact O-C 3.56Å; F111-D133 VanDerWaalsContact O-CA 3.28Å; F111-D133 WeakPolarHBondContact O-CA 3.42Å; D133-L140 CarbonylContact O-C 3.56Å; D133-L140 WeakPolarHBondContact O-CA 3.18Å; D133-N141 PolarHBondContact N-O 2.82Å; D133-N141 PolarHBondContact O-N 2.88Å; D133-N141 WeakPolarHBondContact OD1-CB 3.27Å
134M91.2Very high84.7Confident98 Ų9848.1 Ų48.148%0.48329%0.285SS..EExtended strand (participates in β ladder)trans-127.5131.5179.7-169174-176.700109.6R110 F111 S139 L140R110-M134 WeakPolarHBondContact CA-O 3.38Å; F111-M134 PolarHBondContact N-O 2.8Å; F111-M134 PolarHBondContact O-N 2.83Å; M134-S139 WeakPolarHBondContact CA-O 3.33Å; M134-L140 HydrophobicContact CB-CD1 4.25Å
135D89.1Confident86.3Confident35 Ų3546.3 Ų46.319%0.18726%0.264CS..EExtended strand (participates in β ladder)trans-90.4169.5173.27520.4000112.5T137 G138 S139D135-T137 VanDerWaalsContact CG-OG1 3.24Å; D135-T137 PolarHBondContact O-N 2.73Å; D135-T137 WeakPolarHBondContact OD1-CA 3.38Å; D135-T137 PolarHBondContact OD1-N 2.81Å; D135-T137 PolarHBondContact OD1-OG1 2.81Å; D135-T137 PolarHBondContact OD2-OG1 2.91Å; D135-G138 PolarHBondContact O-N 3.21Å; D135-G138 PolarHBondContact OD1-N 2.83Å; D135-S139 VanDerWaalsContact CG-CB 3.48Å; D135-S139 PolarHBondContact N-O 3.4Å; D135-S139 PolarHBondContact OD1-N 3.12Å; D135-S139 PolarHBondContact OD1-OG 2.76Å; D135-S139 WeakPolarHBondContact OD2-CB 3.38Å; D135-S139 PolarHBondContact OD2-OG 2.81Å
136N85.4Confident87.2Confident109 Ų10946.3 Ų46.358%0.58327%0.265SS*.THydrogen-bonded Turntrans-64.4-14.7177.662-31.6000114.6Y109Y109-N136 PolarHBondContact O-N 3.12Å
137T83.5Confident88Confident68 Ų6845.8 Ų45.842%0.41726%0.259SS..THydrogen-bonded Turntrans-94.9-5.5179.669.40000112.9D135 S139 Q162D135-T137 VanDerWaalsContact CG-OG1 3.24Å; D135-T137 PolarHBondContact O-N 2.73Å; D135-T137 WeakPolarHBondContact OD1-CA 3.38Å; D135-T137 PolarHBondContact OD1-N 2.81Å; D135-T137 PolarHBondContact OD1-OG1 2.81Å; D135-T137 PolarHBondContact OD2-OG1 2.91Å; T137-S139 PolarHBondContact OG1-OG 3.2Å; T137-Q162 WeakPolarHBondContact O-CG 3.41Å
138G81.4Confident88.1Confident22 Ų2249.9 Ų49.923%0.22728%0.281CS..SBendtrans89.112.4-177.400000114.1D135 L140D135-G138 PolarHBondContact O-N 3.21Å; D135-G138 PolarHBondContact OD1-N 2.83Å; G138-L140 PolarHBondContact O-N 3.38Å
139S87.8Confident87.9Confident19 Ų1952 Ų5213%0.13329%0.293CS..  trans-74.6118.7167.5-40.80000108.9M134 D135 T137 T160M134-S139 WeakPolarHBondContact CA-O 3.33Å; D135-S139 VanDerWaalsContact CG-CB 3.48Å; D135-S139 PolarHBondContact N-O 3.4Å; D135-S139 PolarHBondContact OD1-N 3.12Å; D135-S139 PolarHBondContact OD1-OG 2.76Å; D135-S139 WeakPolarHBondContact OD2-CB 3.38Å; D135-S139 PolarHBondContact OD2-OG 2.81Å; T137-S139 PolarHBondContact OG1-OG 3.2Å; S139-T160 WeakPolarHBondContact CA-O 3.44Å; S139-T160 VanDerWaalsContact CB-O 3.23Å; S139-T160 WeakPolarHBondContact CB-O 3.21Å
140L89.5Confident87.2Confident70 Ų7055.3 Ų55.337%0.36632%0.318SS..EExtended strand (participates in β ladder)trans-103.7133.6176.6176.571.6000108.5D133 M134 G138 Q159 T160D133-L140 CarbonylContact O-C 3.56Å; D133-L140 WeakPolarHBondContact O-CA 3.18Å; M134-L140 HydrophobicContact CB-CD1 4.25Å; G138-L140 PolarHBondContact O-N 3.38Å; L140-Q159 CarbonylContact O-C 3.56Å; L140-Q159 WeakPolarHBondContact O-CA 3.38Å; L140-T160 VanDerWaalsContact CB-OG1 3.31Å; L140-T160 WeakPolarHBondContact CB-OG1 3.31Å; L140-T160 PolarHBondContact N-O 2.81Å; L140-T160 PolarHBondContact N-OG1 2.79Å; L140-T160 PolarHBondContact O-N 2.79Å
141N91.3Very high86.7Confident47 Ų4753.1 Ų53.125%0.25131%0.31SS..EExtended strand (participates in β ladder)trans-117.7122.9163.4-176.2-45000107.9G132 D133 M158G132-N141 CarbonylContact C-O 3.56Å; G132-N141 WeakPolarHBondContact CA-O 3.5Å; D133-N141 PolarHBondContact N-O 2.82Å; D133-N141 PolarHBondContact O-N 2.88Å; D133-N141 WeakPolarHBondContact OD1-CB 3.27Å; N141-M158 CarbonylContact C-O 3.55Å; N141-M158 WeakPolarHBondContact CA-O 2.94Å
142A91.9Very high86.4Confident26 Ų2653 Ų5322%0.21531%0.31CS..EExtended strand (participates in β ladder)trans-127.7132.1-178.800000109V131 A157 M158V131-A142 CarbonylContact O-C 3.39Å; V131-A142 WeakPolarHBondContact O-CA 3.43Å; A142-A157 CarbonylContact O-C 3.56Å; A142-A157 WeakPolarHBondContact O-CA 3.41Å; A142-M158 PolarHBondContact N-O 2.87Å; A142-M158 PolarHBondContact O-N 2.85Å
143Q92.1Very high86.2Confident53 Ų5354.3 Ų54.325%0.24831%0.31CS..EExtended strand (participates in β ladder)trans-129.9125.9177.6-171.8-177.9-6.200109.5I130 V131 I145 K155 I156I130-Q143 CarbonylContact C-O 3.59Å; I130-Q143 WeakPolarHBondContact CA-O 3.49Å; V131-Q143 HydrophobicContact CB-CB 4.46Å; V131-Q143 PolarHBondContact N-O 2.77Å; V131-Q143 PolarHBondContact O-N 2.84Å; Q143-I145 HydrophobicContact CG-CG1 4.21Å; Q143-K155 HydrophobicContact CG-CG 4.28Å; Q143-K155 VanDerWaalsContact NE2-CD 3.35Å; Q143-I156 CarbonylContact C-O 3.53Å; Q143-I156 VanDerWaalsContact CA-O 3.31Å; Q143-I156 WeakPolarHBondContact CA-O 3.47Å
144V91.7Very high86.1Confident56 Ų5653.7 Ų53.734%0.33931%0.307SS..EExtended strand (participates in β ladder)trans-119.3114.7177.4-179.90000107.9I130 K155 I156I130-V144 HydrophobicContact CG1-CG1 4.27Å; I130-V144 HydrophobicContact CG1-CG2 4.37Å; I130-V144 HydrophobicContact CG2-CG2 4.25Å; V144-K155 CarbonylContact O-C 3.52Å; V144-K155 VanDerWaalsContact O-CA 3.32Å; V144-K155 WeakPolarHBondContact O-CA 3.42Å; V144-I156 PolarHBondContact N-O 2.77Å; V144-I156 PolarHBondContact O-N 2.66Å
145I90.1Very high86.1Confident36 Ų3651.5 Ų51.519%0.18530%0.295CS..EExtended strand (participates in β ladder)trans-107.8120.2174.7-49.2175000107.8F127 P128 V129 Q143 R153 S154 K155F127-I145 HydrophobicContact CD1-CG2 4.22Å; F127-I145 HydrophobicContact CE1-CG2 3.73Å; P128-I145 CarbonylContact C-O 3.49Å; P128-I145 WeakPolarHBondContact CA-O 3.49Å; V129-I145 HydrophobicContact CB-CB 4.39Å; V129-I145 PolarHBondContact N-O 2.71Å; V129-I145 PolarHBondContact O-N 2.8Å; Q143-I145 HydrophobicContact CG-CG1 4.21Å; I145-R153 HydrophobicContact CG2-CG 4.18Å; I145-S154 WeakPolarHBondContact CA-O 3.33Å; I145-K155 HydrophobicContact CG1-CB 4.28Å; I145-K155 HydrophobicContact CG1-CD 4.48Å; I145-K155 HydrophobicContact CG1-CG 4.15Å
146H86.9Confident86.3Confident73 Ų7352.5 Ų52.534%0.33830%0.3SS..EExtended strand (participates in β ladder)trans-131.7127.8179.7-164.561000111.4L148 S154H146-L148 PolarHBondContact O-N 2.89Å; H146-S154 PolarHBondContact N-O 2.77Å; H146-S154 PolarHBondContact O-N 2.82Å; H146-S154 VanDerWaalsContact O-O 3.13Å
147Q82.4Confident86.6Confident16 Ų1648.3 Ų48.38%0.07528%0.28CS..EExtended strand (participates in β ladder)trans-89.9100.8172.3-173.717615.500108.9T121 F127 T149 S150 V152T121-Q147 PolarHBondContact OG1-OE1 3.48Å; F127-Q147 HydrophobicContact CB-CB 4.29Å; F127-Q147 HydrophobicContact CD1-CB 4.38Å; F127-Q147 HydrophobicContact CD2-CB 3.65Å; F127-Q147 HydrophobicContact CD2-CG 4.49Å; F127-Q147 HydrophobicContact CE2-CB 4.01Å; F127-Q147 HydrophobicContact CG-CB 3.85Å; Q147-T149 WeakPolarHBondContact CG-O 3.35Å; Q147-T149 PolarHBondContact NE2-O 2.77Å; Q147-S150 PolarHBondContact NE2-O 2.81Å; Q147-V152 CarbonylContact C-O 3.53Å
148L77.5Confident86.9Confident98 Ų9849.3 Ų49.351%0.51328%0.282SS..SBendtrans-68.8-39.3-179.2-71.3109.5000111.5H146 V152 S154H146-L148 PolarHBondContact O-N 2.89Å; L148-V152 HydrophobicContact CB-CG1 4.45Å; L148-V152 HydrophobicContact CD1-CG1 4.33Å; L148-V152 PolarHBondContact N-O 3.47Å; L148-S154 VanDerWaalsContact CD1-CB 3.41Å
149T78.9Confident87.3Confident80 Ų8052.6 Ų52.649%0.49129%0.291SS..SBendtrans-140.3164.7-179.3-55.50000109.3Q147 A151 V152Q147-T149 WeakPolarHBondContact CG-O 3.35Å; Q147-T149 PolarHBondContact NE2-O 2.77Å; T149-A151 PolarHBondContact O-N 2.81Å; T149-A151 VanDerWaalsContact O-N 3.08Å; T149-V152 PolarHBondContact N-O 2.9Å; T149-V152 PolarHBondContact O-N 2.72Å; T149-V152 VanDerWaalsContact O-N 3.09Å; T149-V152 VanDerWaalsContact O-O 3.11Å
150S73.5Confident87.3Confident101 Ų10152.6 Ų52.671%0.70629%0.29SS*.SBendtrans-50.3-35.4176.751.70000113.4Q147Q147-S150 PolarHBondContact NE2-O 2.81Å
151A81.3Confident87Confident25 Ų2554.8 Ų54.821%0.20730%0.298CS..SBendtrans-97.6-16.1178.800000115T149 Y174 R175T149-A151 PolarHBondContact O-N 2.81Å; T149-A151 VanDerWaalsContact O-N 3.08Å; A151-Y174 HydrophobicContact CB-CE2 4.18Å; A151-R175 WeakPolarHBondContact CB-O 3.33Å; A151-R175 PolarHBondContact O-N 3.03Å
152V85.8Confident86.6Confident42 Ų4257.9 Ų57.926%0.25531%0.311SS..EExtended strand (participates in β ladder)trans-113.4120.3-171.2-178.60000111Q147 L148 T149 E173 Y174Q147-V152 CarbonylContact C-O 3.53Å; L148-V152 HydrophobicContact CB-CG1 4.45Å; L148-V152 HydrophobicContact CD1-CG1 4.33Å; L148-V152 PolarHBondContact N-O 3.47Å; T149-V152 PolarHBondContact N-O 2.9Å; T149-V152 PolarHBondContact O-N 2.72Å; T149-V152 VanDerWaalsContact O-N 3.09Å; T149-V152 VanDerWaalsContact O-O 3.11Å; V152-E173 WeakPolarHBondContact CA-O 3.43Å; V152-Y174 HydrophobicContact CG2-CD2 3.81Å; V152-Y174 HydrophobicContact CG2-CE2 4.3Å
153R86.9Confident85.7Confident43 Ų4363.7 Ų63.716%0.16233%0.334CS..EExtended strand (participates in β ladder)trans-114.1134.5174.3-179-178.4-66.8-166.6-1.8109.2E125 I145 E173 R175E125-R153 IonicContact OE1-CZ 2.64Å; E125-R153 IonicContact OE1-NH2 2.93Å; E125-R153 PolarHBondContact OE1-NH2 2.79Å; E125-R153 IonicContact OE2-NH2 3.89Å; E125-R153 PolarHBondContact OE2-NH2 2.8Å; I145-R153 HydrophobicContact CG2-CG 4.18Å; R153-E173 HydrophobicContact CB-CB 4.29Å; R153-E173 PolarHBondContact N-O 3.44Å; R153-E173 PolarHBondContact O-N 2.8Å; R153-R175 VanDerWaalsContact NH1-NH2 3.15Å
154S89.9Confident85.1Confident11 Ų1167.5 Ų67.58%0.07735%0.35CS..EExtended strand (participates in β ladder)trans-119.2140.9170.3-1800000109.4I145 H146 L148 D171I145-S154 WeakPolarHBondContact CA-O 3.33Å; H146-S154 PolarHBondContact N-O 2.77Å; H146-S154 PolarHBondContact O-N 2.82Å; H146-S154 VanDerWaalsContact O-O 3.13Å; L148-S154 VanDerWaalsContact CD1-CB 3.41Å; S154-D171 CarbonylContact C-O 3.58Å; S154-D171 VanDerWaalsContact CA-O 3.27Å; S154-D171 WeakPolarHBondContact CA-O 3.4Å; S154-D171 PolarHBondContact OG-O 2.86Å
155K91.3Very high84.4Confident52 Ų5272.6 Ų72.623%0.22637%0.368CS..EExtended strand (participates in β ladder)trans-131.5128.8174.9161.4-174.8158-161.80107.8Q143 V144 I145 D171Q143-K155 HydrophobicContact CG-CG 4.28Å; Q143-K155 VanDerWaalsContact NE2-CD 3.35Å; V144-K155 CarbonylContact O-C 3.52Å; V144-K155 VanDerWaalsContact O-CA 3.32Å; V144-K155 WeakPolarHBondContact O-CA 3.42Å; I145-K155 HydrophobicContact CG1-CB 4.28Å; I145-K155 HydrophobicContact CG1-CD 4.48Å; I145-K155 HydrophobicContact CG1-CG 4.15Å; K155-D171 HydrophobicContact CB-CB 4.07Å; K155-D171 WeakPolarHBondContact CD-OD2 3.42Å; K155-D171 VanDerWaalsContact CE-OD2 3.3Å; K155-D171 WeakPolarHBondContact CE-OD2 3.34Å; K155-D171 PolarHBondContact N-O 3.08Å; K155-D171 IonicContact NZ-OD2 2.89Å; K155-D171 PolarHBondContact O-N 2.82Å
156I92.6Very high84Confident55 Ų5574.2 Ų74.228%0.28238%0.379SS..EExtended strand (participates in β ladder)trans-118.5122.2177.9-58.4172.8000106.5Q143 V144 M158 Q169Q143-I156 CarbonylContact C-O 3.53Å; Q143-I156 VanDerWaalsContact CA-O 3.31Å; Q143-I156 WeakPolarHBondContact CA-O 3.47Å; V144-I156 PolarHBondContact N-O 2.77Å; V144-I156 PolarHBondContact O-N 2.66Å; I156-M158 HydrophobicContact CG2-CE 3.8Å; I156-M158 HydrophobicContact CG2-CG 4.31Å; I156-Q169 CarbonylContact C-O 3.59Å; I156-Q169 WeakPolarHBondContact CA-O 3.21Å
157A91.8Very high83.9Confident21 Ų2172.4 Ų72.417%0.17437%0.372CS..EExtended strand (participates in β ladder)trans-116.8129.2175.500000109.3A142 W168 Q169A142-A157 CarbonylContact O-C 3.56Å; A142-A157 WeakPolarHBondContact O-CA 3.41Å; A157-W168 CarbonylContact O-C 3.54Å; A157-W168 VanDerWaalsContact O-CA 3.29Å; A157-W168 WeakPolarHBondContact O-CA 3.31Å; A157-Q169 HydrophobicContact CB-CB 4.5Å; A157-Q169 PolarHBondContact N-O 3.23Å; A157-Q169 PolarHBondContact O-N 2.8Å
158M91.3Very high84.1Confident90 Ų9076.6 Ų76.644%0.44339%0.387SS..EExtended strand (participates in β ladder)trans-124.9131.6178.3-62.4-176-177.500108.9N141 A142 I156 W168N141-M158 CarbonylContact C-O 3.55Å; N141-M158 WeakPolarHBondContact CA-O 2.94Å; A142-M158 PolarHBondContact N-O 2.87Å; A142-M158 PolarHBondContact O-N 2.85Å; I156-M158 HydrophobicContact CG2-CE 3.8Å; I156-M158 HydrophobicContact CG2-CG 4.31Å; M158-W168 HydrophobicContact CG-CB 4.41Å
159Q89.1Confident84.8Confident90 Ų9075.4 Ų75.442%0.42138%0.379SS..EExtended strand (participates in β ladder)trans-128.8119.1176.4-169.7179.411.400110.2L140 V166 N167L140-Q159 CarbonylContact O-C 3.56Å; L140-Q159 WeakPolarHBondContact O-CA 3.38Å; Q159-V166 PolarHBondContact O-N 2.77Å; Q159-V166 VanDerWaalsContact O-N 3.08Å; Q159-N167 HydrophobicContact CB-CB 4.28Å; Q159-N167 PolarHBondContact N-O 2.64Å; Q159-N167 PolarHBondContact O-N 3.13Å; Q159-N167 VanDerWaalsContact O-N 3.11Å
160T87.8Confident85.4Confident19 Ų1972.3 Ų72.312%0.11736%0.36CS..EExtended strand (participates in β ladder)trans-103148.1168.872.80000109.3S139 L140 K164 F165S139-T160 WeakPolarHBondContact CA-O 3.44Å; S139-T160 VanDerWaalsContact CB-O 3.23Å; S139-T160 WeakPolarHBondContact CB-O 3.21Å; L140-T160 VanDerWaalsContact CB-OG1 3.31Å; L140-T160 WeakPolarHBondContact CB-OG1 3.31Å; L140-T160 PolarHBondContact N-O 2.81Å; L140-T160 PolarHBondContact N-OG1 2.79Å; L140-T160 PolarHBondContact O-N 2.79Å; T160-K164 WeakPolarHBondContact CA-O 3.26Å; T160-F165 HydrophobicContact CG2-CD1 3.7Å; T160-F165 HydrophobicContact CG2-CE1 3.57Å; T160-F165 HydrophobicContact CG2-CE2 4.49Å; T160-F165 HydrophobicContact CG2-CG 4.23Å; T160-F165 HydrophobicContact CG2-CZ 4Å
161Q84.1Confident86.3Confident116 Ų11668.3 Ų68.354%0.54233%0.331SS..EExtended strand (participates in β ladder)trans-120.6109168-171.6176.514.900107.1H163 K164 V166Q161-H163 PolarHBondContact O-N 2.81Å; Q161-K164 PolarHBondContact N-O 2.83Å; Q161-K164 PolarHBondContact O-N 2.95Å; Q161-V166 HydrophobicContact CB-CG2 3.37Å
162Q81.9Confident86.8Confident112 Ų11271.9 Ų71.952%0.52334%0.342SS..THydrogen-bonded Turntrans52.5-104.7-174.3-53.6177.2-24.200111.9T137T137-Q162 WeakPolarHBondContact O-CG 3.41Å
163H73.5Confident87Confident149 Ų14971.2 Ų71.269%0.6934%0.336SS*.THydrogen-bonded Turntrans-102-0.8-175.967-79.1000113.7Q161Q161-H163 PolarHBondContact O-N 2.81Å
164K78.6Confident87.2Confident133 Ų13374.3 Ų74.358%0.57835%0.348SS*.EExtended strand (participates in β ladder)trans-114.1134.7-177.7-62.6-171.9-179.1-178.60111T160 Q161 V166T160-K164 WeakPolarHBondContact CA-O 3.26Å; Q161-K164 PolarHBondContact N-O 2.83Å; Q161-K164 PolarHBondContact O-N 2.95Å; K164-V166 PolarHBondContact O-N 3.17Å
165F77.2Confident87.1Confident163 Ų16376.8 Ų76.872%0.71536%0.356SS*.EExtended strand (participates in β ladder)trans-71.7115.1164-80-90000108T160T160-F165 HydrophobicContact CG2-CD1 3.7Å; T160-F165 HydrophobicContact CG2-CE1 3.57Å; T160-F165 HydrophobicContact CG2-CE2 4.49Å; T160-F165 HydrophobicContact CG2-CG 4.23Å; T160-F165 HydrophobicContact CG2-CZ 4Å
166V81.1Confident86.9Confident69 Ų6974.7 Ų74.742%0.41835%0.35SS..EExtended strand (participates in β ladder)trans-96.1-45.9-176.2176.20000110.2Q159 Q161 K164Q159-V166 PolarHBondContact O-N 2.77Å; Q159-V166 VanDerWaalsContact O-N 3.08Å; Q161-V166 HydrophobicContact CB-CG2 3.37Å; K164-V166 PolarHBondContact O-N 3.17Å
167N85.5Confident86.5Confident36 Ų3676.8 Ų76.819%0.19337%0.367CS..EExtended strand (participates in β ladder)trans-145.7137.6-174.6-160.1-59.5000111.4Q159 Q169 N187Q159-N167 HydrophobicContact CB-CB 4.28Å; Q159-N167 PolarHBondContact N-O 2.64Å; Q159-N167 PolarHBondContact O-N 3.13Å; Q159-N167 VanDerWaalsContact O-N 3.11Å; N167-Q169 WeakPolarHBondContact OD1-CG 3.28Å; N167-Q169 PolarHBondContact OD1-NE2 3.48Å; N167-N187 WeakPolarHBondContact CA-OD1 3.37Å; N167-N187 PolarHBondContact ND2-ND2 3.18Å; N167-N187 VanDerWaalsContact ND2-ND2 3.14Å; N167-N187 PolarHBondContact OD1-OD1 2.84Å; N167-N187 VanDerWaalsContact OD1-OD1 3.08Å
168W87.5Confident86.4Confident103 Ų10378.2 Ų78.239%0.3937%0.372SS..EExtended strand (participates in β ladder)trans-139.4135.8165.269.7-78.3000109.2A157 M158 C170 N187 P188A157-W168 CarbonylContact O-C 3.54Å; A157-W168 VanDerWaalsContact O-CA 3.29Å; A157-W168 WeakPolarHBondContact O-CA 3.31Å; M158-W168 HydrophobicContact CG-CB 4.41Å; W168-C170 VanDerWaalsContact CZ3-SG 3.56Å; W168-N187 PolarHBondContact N-OD1 2.8Å; W168-N187 PolarHBondContact O-N 3.15Å; W168-N187 PolarHBondContact O-OD1 2.79Å; W168-P188 HydrophobicContact CH2-CG 3.4Å; W168-P188 HydrophobicContact CZ2-CB 4.39Å; W168-P188 VanDerWaalsContact CZ2-CD 3.49Å; W168-P188 HydrophobicContact CZ2-CG 3.3Å; W168-P188 WeakPolarHBondContact CZ2-O 3.22Å; W168-P188 HydrophobicContact CZ3-CG 4.13Å
169Q90.9Very high86.2Confident73 Ų7376.5 Ų76.534%0.34136%0.362SS..EExtended strand (participates in β ladder)trans-130.4134.4-175.5-54178.736.200109I156 A157 N167 L185I156-Q169 CarbonylContact C-O 3.59Å; I156-Q169 WeakPolarHBondContact CA-O 3.21Å; A157-Q169 HydrophobicContact CB-CB 4.5Å; A157-Q169 PolarHBondContact N-O 3.23Å; A157-Q169 PolarHBondContact O-N 2.8Å; N167-Q169 WeakPolarHBondContact OD1-CG 3.28Å; N167-Q169 PolarHBondContact OD1-NE2 3.48Å; Q169-L185 CarbonylContact C-O 3.59Å; Q169-L185 VanDerWaalsContact CA-O 3.23Å; Q169-L185 WeakPolarHBondContact CA-O 3.3Å
170C92.2Very high86.3Confident16 Ų1672.4 Ų72.411%0.10834%0.343CS..EExtended strand (participates in β ladder)trans-120.2113.4173.2-71.20000108.7W168 F172 T184 L185W168-C170 VanDerWaalsContact CZ3-SG 3.56Å; C170-F172 HydrophobicContact CB-CE2 3.97Å; C170-F172 HydrophobicContact CB-CZ 4.49Å; C170-T184 WeakPolarHBondContact O-CA 3.32Å; C170-L185 HydrophobicContact CB-CB 4.48Å; C170-L185 PolarHBondContact N-O 2.79Å; C170-L185 PolarHBondContact O-N 3.38Å
171D91.6Very high86.6Confident17 Ų1773.2 Ų73.29%0.09135%0.349CS..EExtended strand (participates in β ladder)trans-99.9132.2175.3-55.5-44.6000109.2S154 K155 V183 T184S154-D171 CarbonylContact C-O 3.58Å; S154-D171 VanDerWaalsContact CA-O 3.27Å; S154-D171 WeakPolarHBondContact CA-O 3.4Å; S154-D171 PolarHBondContact OG-O 2.86Å; K155-D171 HydrophobicContact CB-CB 4.07Å; K155-D171 WeakPolarHBondContact CD-OD2 3.42Å; K155-D171 VanDerWaalsContact CE-OD2 3.3Å; K155-D171 WeakPolarHBondContact CE-OD2 3.34Å; K155-D171 PolarHBondContact N-O 3.08Å; K155-D171 IonicContact NZ-OD2 2.89Å; K155-D171 PolarHBondContact O-N 2.82Å; D171-V183 CarbonylContact C-O 3.46Å; D171-V183 WeakPolarHBondContact CA-O 3.43Å; D171-T184 WeakPolarHBondContact OD1-CB 3.28Å; D171-T184 WeakPolarHBondContact OD1-CG2 3.32Å; D171-T184 PolarHBondContact OD1-OG1 3.28Å
172F91.9Very high87Confident99 Ų9968.5 Ų68.543%0.43433%0.33SS..EExtended strand (participates in β ladder)trans-123.7117.6171.5-63.3-82.3000108.6C170 A182 V183 L185C170-F172 HydrophobicContact CB-CE2 3.97Å; C170-F172 HydrophobicContact CB-CZ 4.49Å; F172-A182 CarbonylContact O-C 3.6Å; F172-A182 WeakPolarHBondContact O-CA 3.24Å; F172-V183 PolarHBondContact N-O 2.95Å; F172-V183 PolarHBondContact O-N 3.23Å; F172-L185 HydrophobicContact CE2-CD1 4.48Å
173E91.3Very high87.6Confident28 Ų2866 Ų6613%0.13132%0.322CS..EExtended strand (participates in β ladder)trans-119128.3-176.2-174.9-174.1123.300109.6T62 V152 R153 R175 T180 S181 A182T62-E173 VanDerWaalsContact CG2-CD 3.44Å; T62-E173 WeakPolarHBondContact CG2-OE1 3.35Å; T62-E173 VanDerWaalsContact CG2-OE2 3.32Å; T62-E173 WeakPolarHBondContact CG2-OE2 3.27Å; V152-E173 WeakPolarHBondContact CA-O 3.43Å; R153-E173 HydrophobicContact CB-CB 4.29Å; R153-E173 PolarHBondContact N-O 3.44Å; R153-E173 PolarHBondContact O-N 2.8Å; E173-R175 IonicContact OE1-CZ 2.73Å; E173-R175 IonicContact OE1-NE 3.15Å; E173-R175 PolarHBondContact OE1-NE 3.26Å; E173-R175 IonicContact OE1-NH2 3.23Å; E173-R175 PolarHBondContact OE1-NH2 3.23Å; E173-T180 HydrophobicContact CG-CG2 4.18Å; E173-S181 CarbonylContact C-O 3.59Å; E173-S181 WeakPolarHBondContact CA-O 3.5Å; E173-A182 HydrophobicContact CB-CB 4.33Å; E173-A182 HydrophobicContact CG-CB 4.31Å
174Y90.6Very high88.5Confident108 Ų10859.8 Ų59.842%0.42430%0.295SS..EExtended strand (participates in β ladder)trans-114.5116.2175.8-178.3-89.7000109.2A151 V152 F179 T180 S181A151-Y174 HydrophobicContact CB-CE2 4.18Å; V152-Y174 HydrophobicContact CG2-CD2 3.81Å; V152-Y174 HydrophobicContact CG2-CE2 4.3Å; Y174-F179 AromaticContact CD1-CE2 3.62Å; Y174-F179 HydrophobicContact CD1-CE2 3.62Å; Y174-F179 AromaticContact CD1-CZ 3.92Å; Y174-F179 HydrophobicContact CD1-CZ 3.92Å; Y174-F179 HydrophobicContact CE1-CE1 4.41Å; Y174-F179 AromaticContact CE1-CE2 3.68Å; Y174-F179 HydrophobicContact CE1-CE2 3.68Å; Y174-F179 AromaticContact CE1-CZ 3.45Å; Y174-F179 HydrophobicContact CE1-CZ 3.45Å; Y174-F179 VanDerWaalsContact CE1-CZ 3.45Å; Y174-T180 WeakPolarHBondContact O-CA 3.41Å; Y174-S181 PolarHBondContact N-O 3.37Å; Y174-S181 PolarHBondContact O-N 3.32Å
175R88.1Confident89.1Confident63 Ų6356.2 Ų56.224%0.23828%0.282CS..EExtended strand (participates in β ladder)trans-100.4105.6176.2-69.1-174-172.6-172.8-4.4109.8T62 A151 R153 E173 T180T62-R175 VanDerWaalsContact CG2-NH2 3.3Å; A151-R175 WeakPolarHBondContact CB-O 3.33Å; A151-R175 PolarHBondContact O-N 3.03Å; R153-R175 VanDerWaalsContact NH1-NH2 3.15Å; E173-R175 IonicContact OE1-CZ 2.73Å; E173-R175 IonicContact OE1-NE 3.15Å; E173-R175 PolarHBondContact OE1-NE 3.26Å; E173-R175 IonicContact OE1-NH2 3.23Å; E173-R175 PolarHBondContact OE1-NH2 3.23Å; R175-T180 HydrophobicContact CG-CG2 4.34Å
176G86.4Confident89.7Confident9 Ų948.8 Ų48.89%0.09325%0.251CS..  trans-81.5-178.6166.300000112.1N59 F179N59-G176 PolarHBondContact ND2-O 3.29Å; G176-F179 CarbonylContact C-O 3.45Å; G176-F179 VanDerWaalsContact CA-O 3.26Å; G176-F179 WeakPolarHBondContact CA-O 3.21Å; G176-F179 PolarHBondContact N-O 2.84Å
177P84.7Confident90.1Very high99 Ų9947.9 Ų47.964%0.64324%0.244SC*.SBendtrans-67.9-43.5175.125.3-30.3000112.3N59N59-P177 WeakPolarHBondContact CA-O 3.48Å; N59-P177 PolarHBondContact N-O 2.79Å
178D88.3Confident90Very high51 Ų5148.2 Ų48.227%0.27325%0.248SC..SBendtrans-117.4-11.7-172.860.8-27.9000113.7L57 S204L57-D178 HydrophobicContact CB-CB 4.25Å; D178-S204 WeakPolarHBondContact O-CB 3.34Å; D178-S204 PolarHBondContact O-N 2.84Å
179F88.5Confident89.8Confident53 Ų5346.2 Ų46.223%0.23225%0.245CC..EExtended strand (participates in β ladder)trans-132.5157.817875.6-87.7000113Y174 G176 Y201 L202 Q203Y174-F179 AromaticContact CD1-CE2 3.62Å; Y174-F179 HydrophobicContact CD1-CE2 3.62Å; Y174-F179 AromaticContact CD1-CZ 3.92Å; Y174-F179 HydrophobicContact CD1-CZ 3.92Å; Y174-F179 HydrophobicContact CE1-CE1 4.41Å; Y174-F179 AromaticContact CE1-CE2 3.68Å; Y174-F179 HydrophobicContact CE1-CE2 3.68Å; Y174-F179 AromaticContact CE1-CZ 3.45Å; Y174-F179 HydrophobicContact CE1-CZ 3.45Å; Y174-F179 VanDerWaalsContact CE1-CZ 3.45Å; G176-F179 CarbonylContact C-O 3.45Å; G176-F179 VanDerWaalsContact CA-O 3.26Å; G176-F179 WeakPolarHBondContact CA-O 3.21Å; G176-F179 PolarHBondContact N-O 2.84Å; F179-Y201 HydrophobicContact CB-CE2 4.21Å; F179-Y201 HydrophobicContact CD2-CD2 4.49Å; F179-Y201 AromaticContact CD2-CE2 3.74Å; F179-Y201 HydrophobicContact CD2-CE2 3.74Å; F179-Y201 HydrophobicContact CE2-CE2 4.43Å; F179-Y201 HydrophobicContact CG-CE2 4.19Å; F179-L202 CarbonylContact C-O 3.59Å; F179-L202 WeakPolarHBondContact CA-O 3.29Å; F179-L202 WeakPolarHBondContact CB-O 3.28Å; F179-Q203 HydrophobicContact CB-CB 4.37Å; F179-Q203 HydrophobicContact CB-CG 4.43Å
180T91.3Very high89.2Confident5 Ų549.4 Ų49.43%0.03127%0.269CS..EExtended strand (participates in β ladder)trans-132.1128.9171-630000108.7N59 G61 E173 Y174 R175 L202N59-T180 PolarHBondContact ND2-OG1 2.92Å; N59-T180 PolarHBondContact OD1-OG1 3.46Å; G61-T180 VanDerWaalsContact O-CB 3.3Å; G61-T180 WeakPolarHBondContact O-CB 3.23Å; G61-T180 WeakPolarHBondContact O-CG2 3.14Å; G61-T180 PolarHBondContact O-OG1 2.81Å; G61-T180 VanDerWaalsContact O-OG1 3.12Å; E173-T180 HydrophobicContact CG-CG2 4.18Å; Y174-T180 WeakPolarHBondContact O-CA 3.41Å; R175-T180 HydrophobicContact CG-CG2 4.34Å; T180-L202 PolarHBondContact N-O 2.85Å; T180-L202 PolarHBondContact O-N 2.78Å
181S92.6Very high88.5Confident36 Ų3656.8 Ų56.825%0.25231%0.307SS..EExtended strand (participates in β ladder)trans-119.5140.5172.2-174.50000109.8E173 Y174 H200E173-S181 CarbonylContact C-O 3.59Å; E173-S181 WeakPolarHBondContact CA-O 3.5Å; Y174-S181 PolarHBondContact N-O 3.37Å; Y174-S181 PolarHBondContact O-N 3.32Å; S181-H200 CarbonylContact C-O 3.51Å; S181-H200 VanDerWaalsContact CA-O 3.27Å; S181-H200 WeakPolarHBondContact CA-O 3.4Å; S181-H200 PolarHBondContact OG-O 2.89Å; S181-H200 VanDerWaalsContact OG-O 3.08Å
182A93Very high88Confident16 Ų1659.7 Ų59.713%0.13233%0.325CS..EExtended strand (participates in β ladder)trans-135.4143174.600000110.5F172 E173 H200F172-A182 CarbonylContact O-C 3.6Å; F172-A182 WeakPolarHBondContact O-CA 3.24Å; E173-A182 HydrophobicContact CB-CB 4.33Å; E173-A182 HydrophobicContact CG-CB 4.31Å; A182-H200 HydrophobicContact CB-CB 4.29Å; A182-H200 PolarHBondContact N-O 2.79Å; A182-H200 PolarHBondContact O-N 2.8Å
183V94.2Very high87.4Confident59 Ų5956.7 Ų56.736%0.35832%0.322SS..EExtended strand (participates in β ladder)trans-126.5120.9174.4-179.70000108.2D171 F172 V197 V198D171-V183 CarbonylContact C-O 3.46Å; D171-V183 WeakPolarHBondContact CA-O 3.43Å; F172-V183 PolarHBondContact N-O 2.95Å; F172-V183 PolarHBondContact O-N 3.23Å; V183-V197 HydrophobicContact CG1-CG1 4.4Å; V183-V198 CarbonylContact C-O 3.5Å; V183-V198 WeakPolarHBondContact CA-O 3.36Å
184T92.7Very high87Confident20 Ų2056.8 Ų56.812%0.12333%0.326CS..EExtended strand (participates in β ladder)trans-111.7124.3178-64.60000109.5C170 D171 V197 V198C170-T184 WeakPolarHBondContact O-CA 3.32Å; D171-T184 WeakPolarHBondContact OD1-CB 3.28Å; D171-T184 WeakPolarHBondContact OD1-CG2 3.32Å; D171-T184 PolarHBondContact OD1-OG1 3.28Å; T184-V197 CarbonylContact O-C 3.44Å; T184-V197 WeakPolarHBondContact O-CA 3.25Å; T184-V198 PolarHBondContact N-O 2.76Å; T184-V198 PolarHBondContact O-N 2.82Å
185L92.1Very high86.8Confident57 Ų5752.3 Ų52.330%0.29831%0.313SS..EExtended strand (participates in β ladder)trans-106.9111.2173.9-64.6169.1000108.1Q169 C170 F172 I196 V197Q169-L185 CarbonylContact C-O 3.59Å; Q169-L185 VanDerWaalsContact CA-O 3.23Å; Q169-L185 WeakPolarHBondContact CA-O 3.3Å; C170-L185 HydrophobicContact CB-CB 4.48Å; C170-L185 PolarHBondContact N-O 2.79Å; C170-L185 PolarHBondContact O-N 3.38Å; F172-L185 HydrophobicContact CE2-CD1 4.48Å; L185-I196 CarbonylContact C-O 3.52Å; L185-V197 HydrophobicContact CD2-CB 4.25Å; L185-V197 HydrophobicContact CD2-CG1 3.9Å; L185-V197 HydrophobicContact CD2-CG2 3.73Å
186G90.2Very high86.9Confident7 Ų752.1 Ų52.17%0.07232%0.315CS..EExtended strand (participates in β ladder)trans-108.4125.1178.600000111.9I196G186-I196 PolarHBondContact N-O 2.8Å; G186-I196 PolarHBondContact O-N 2.78Å
187N87.9Confident87.2Confident51 Ų5154.3 Ų54.327%0.27333%0.327SS..EExtended strand (participates in β ladder)trans48.747.8176.4-56.3-24.3000115.2N167 W168 D189N167-N187 WeakPolarHBondContact CA-OD1 3.37Å; N167-N187 PolarHBondContact ND2-ND2 3.18Å; N167-N187 VanDerWaalsContact ND2-ND2 3.14Å; N167-N187 PolarHBondContact OD1-OD1 2.84Å; N167-N187 VanDerWaalsContact OD1-OD1 3.08Å; W168-N187 PolarHBondContact N-OD1 2.8Å; W168-N187 PolarHBondContact O-N 3.15Å; W168-N187 PolarHBondContact O-OD1 2.79Å; N187-D189 PolarHBondContact O-N 2.9Å
188P83.8Confident87.6Confident42 Ų4250.5 Ų50.527%0.27330%0.302SS..EExtended strand (participates in β ladder)trans-71.3116.7175.428.7-29.8000109.7W168 S194W168-P188 HydrophobicContact CH2-CG 3.4Å; W168-P188 HydrophobicContact CZ2-CB 4.39Å; W168-P188 VanDerWaalsContact CZ2-CD 3.49Å; W168-P188 HydrophobicContact CZ2-CG 3.3Å; W168-P188 WeakPolarHBondContact CZ2-O 3.22Å; W168-P188 HydrophobicContact CZ3-CG 4.13Å; P188-S194 WeakPolarHBondContact CA-O 3.47Å
189D83Confident87.9Confident62 Ų6249.3 Ų49.333%0.33230%0.301SS..EExtended strand (participates in β ladder)trans-110.1108.7172.6-175-14.3000108.7N187 L191 V192 G193 S194N187-D189 PolarHBondContact O-N 2.9Å; D189-L191 VanDerWaalsContact C-N 3.3Å; D189-L191 PolarHBondContact O-N 3.31Å; D189-L191 WeakPolarHBondContact OD1-CB 3.4Å; D189-L191 PolarHBondContact OD1-N 2.89Å; D189-V192 HydrophobicContact CB-CB 4.37Å; D189-V192 PolarHBondContact OD1-N 2.75Å; D189-V192 VanDerWaalsContact OD2-CG2 3.26Å; D189-V192 WeakPolarHBondContact OD2-CG2 3.31Å; D189-G193 VanDerWaalsContact O-CA 3.31Å; D189-G193 WeakPolarHBondContact O-CA 3.21Å; D189-G193 PolarHBondContact O-N 2.83Å; D189-S194 PolarHBondContact N-O 2.79Å; D189-S194 PolarHBondContact O-N 2.87Å; D189-S194 VanDerWaalsContact O-N 3.17Å
190V78.9Confident88.2Confident139 Ų13947.9 Ų47.984%0.84230%0.295SS*.THydrogen-bonded Turntrans-68.8-28.8-178.8-177.20000111.7
191L78.1Confident88.3Confident171 Ų17152.2 Ų52.290%0.89531%0.312SS*.THydrogen-bonded Turntrans-76.1-42.2-178-70.8116.1000111.7D189D189-L191 VanDerWaalsContact C-N 3.3Å; D189-L191 PolarHBondContact O-N 3.31Å; D189-L191 WeakPolarHBondContact OD1-CB 3.4Å; D189-L191 PolarHBondContact OD1-N 2.89Å
192V80Confident88.3Confident78 Ų7850.6 Ų50.647%0.47330%0.3SS..THydrogen-bonded Turntrans-87.9-15.6-179.9-179.50000111.4D189 S194 P221D189-V192 HydrophobicContact CB-CB 4.37Å; D189-V192 PolarHBondContact OD1-N 2.75Å; D189-V192 VanDerWaalsContact OD2-CG2 3.26Å; D189-V192 WeakPolarHBondContact OD2-CG2 3.31Å; V192-S194 PolarHBondContact O-N 2.81Å; V192-P221 HydrophobicContact CG1-CG 3.33Å
193G80.3Confident88.2Confident36 Ų3653.4 Ų53.437%0.37131%0.311SS..THydrogen-bonded Turntrans65.631.2-175.100000112.1D189 R219D189-G193 VanDerWaalsContact O-CA 3.31Å; D189-G193 WeakPolarHBondContact O-CA 3.21Å; D189-G193 PolarHBondContact O-N 2.83Å; G193-R219 VanDerWaalsContact O-CD 3.26Å; G193-R219 WeakPolarHBondContact O-CD 3.38Å; G193-R219 WeakPolarHBondContact O-CG 3.32Å; G193-R219 PolarHBondContact O-NE 2.77Å
194S83.1Confident88.1Confident31 Ų3150.8 Ų50.822%0.21730%0.295CS..EExtended strand (participates in β ladder)trans-110.5146.4-178.474.90000111.1P188 D189 V192 R219P188-S194 WeakPolarHBondContact CA-O 3.47Å; D189-S194 PolarHBondContact N-O 2.79Å; D189-S194 PolarHBondContact O-N 2.87Å; D189-S194 VanDerWaalsContact O-N 3.17Å; V192-S194 PolarHBondContact O-N 2.81Å; S194-R219 CarbonylContact C-O 3.53Å; S194-R219 WeakPolarHBondContact CA-O 3.42Å; S194-R219 WeakPolarHBondContact CB-O 3.24Å
195G86.5Confident88Confident14 Ų1454.2 Ų54.214%0.14431%0.312CS..EExtended strand (participates in β ladder)trans171.9166.2179.100000112R219G195-R219 PolarHBondContact N-O 2.81Å; G195-R219 PolarHBondContact O-N 3.34Å
196I90.4Very high87.8Confident58 Ų5854.7 Ų54.730%0.29732%0.317SS..EExtended strand (participates in β ladder)trans-118.2128.8175.1-54.7173.5000107L185 G186 V198 V216 Y217 H218L185-I196 CarbonylContact C-O 3.52Å; G186-I196 PolarHBondContact N-O 2.8Å; G186-I196 PolarHBondContact O-N 2.78Å; I196-V198 HydrophobicContact CG2-CG2 3.96Å; I196-V216 HydrophobicContact CG2-CG1 4.19Å; I196-Y217 CarbonylContact C-O 3.52Å; I196-Y217 WeakPolarHBondContact CA-O 3.43Å; I196-H218 HydrophobicContact CG1-CB 4.01Å
197V92.6Very high87.6Confident56 Ų5659.6 Ų59.634%0.33935%0.348SS..EExtended strand (participates in β ladder)trans-118.7122.4172-173.10000106.8V183 T184 L185 Y217V183-V197 HydrophobicContact CG1-CG1 4.4Å; T184-V197 CarbonylContact O-C 3.44Å; T184-V197 WeakPolarHBondContact O-CA 3.25Å; L185-V197 HydrophobicContact CD2-CB 4.25Å; L185-V197 HydrophobicContact CD2-CG1 3.9Å; L185-V197 HydrophobicContact CD2-CG2 3.73Å; V197-Y217 PolarHBondContact N-O 2.82Å; V197-Y217 PolarHBondContact O-N 3.28Å
198V93Very high87.6Confident19 Ų1958.5 Ų58.512%0.11535%0.346CS..EExtended strand (participates in β ladder)trans-114.3123.3173.7-167.90000108.4V183 T184 I196 H200 E214 L215 V216V183-V198 CarbonylContact C-O 3.5Å; V183-V198 WeakPolarHBondContact CA-O 3.36Å; T184-V198 PolarHBondContact N-O 2.76Å; T184-V198 PolarHBondContact O-N 2.82Å; I196-V198 HydrophobicContact CG2-CG2 3.96Å; V198-H200 VanDerWaalsContact CG1-CE1 3.41Å; V198-H200 WeakPolarHBondContact CG1-CE1 3.09Å; V198-H200 WeakPolarHBondContact CG1-NE2 3.4Å; V198-E214 HydrophobicContact CG1-CG 3.92Å; V198-L215 CarbonylContact C-O 3.5Å; V198-L215 VanDerWaalsContact CA-O 3.32Å; V198-L215 WeakPolarHBondContact CA-O 3.45Å; V198-V216 HydrophobicContact CG1-CG2 3.85Å; V198-V216 HydrophobicContact CG2-CG1 4.25Å; V198-V216 HydrophobicContact CG2-CG2 4.17Å
199G94.2Very high87.9Confident25 Ų2559 Ų5926%0.25835%0.346SS..EExtended strand (participates in β ladder)trans-109.7127.1172.900000109.7E214 L215G199-E214 CarbonylContact O-C 3.55Å; G199-E214 WeakPolarHBondContact O-CA 3.44Å; G199-L215 PolarHBondContact N-O 2.77Å; G199-L215 PolarHBondContact O-N 2.8Å
200H93.9Very high88.4Confident23 Ų2356.3 Ų56.311%0.10633%0.331CS..EExtended strand (participates in β ladder)trans-116.3140.8173.5-54.3-81.4000109.9Y63 S181 A182 V198 G213 E214Y63-H200 AromaticContact CD1-CE1 3.47Å; Y63-H200 VanDerWaalsContact CD1-CE1 3.47Å; Y63-H200 WeakPolarHBondContact CD1-CE1 3.38Å; Y63-H200 AromaticContact CD1-ND1 3.38Å; Y63-H200 WeakPolarHBondContact CD1-ND1 3.37Å; Y63-H200 HydrophobicContact CD2-CB 4.48Å; Y63-H200 AromaticContact CD2-ND1 3.77Å; Y63-H200 AromaticContact CE1-CE1 3.73Å; Y63-H200 AromaticContact CE1-ND1 3.7Å; Y63-H200 HydrophobicContact CG-CB 4.36Å; Y63-H200 AromaticContact CG-CE1 3.96Å; Y63-H200 AromaticContact CG-ND1 3.41Å; S181-H200 CarbonylContact C-O 3.51Å; S181-H200 VanDerWaalsContact CA-O 3.27Å; S181-H200 WeakPolarHBondContact CA-O 3.4Å; S181-H200 PolarHBondContact OG-O 2.89Å; S181-H200 VanDerWaalsContact OG-O 3.08Å; A182-H200 HydrophobicContact CB-CB 4.29Å; A182-H200 PolarHBondContact N-O 2.79Å; A182-H200 PolarHBondContact O-N 2.8Å; V198-H200 VanDerWaalsContact CG1-CE1 3.41Å; V198-H200 WeakPolarHBondContact CG1-CE1 3.09Å; V198-H200 WeakPolarHBondContact CG1-NE2 3.4Å; H200-G213 WeakPolarHBondContact CA-O 3.38Å; H200-E214 IonicContact CE1-OE1 3.76Å; H200-E214 PolarHBondContact CE1-OE1 2.91Å; H200-E214 IonicContact ND1-OE1 3.59Å
201Y93.6Very high89.1Confident97 Ų9753.2 Ų53.238%0.3831%0.31SS..EExtended strand (participates in β ladder)trans-139.8126.7170.6-177.5-96000108.9F179 Q203 G212 G213F179-Y201 HydrophobicContact CB-CE2 4.21Å; F179-Y201 HydrophobicContact CD2-CD2 4.49Å; F179-Y201 AromaticContact CD2-CE2 3.74Å; F179-Y201 HydrophobicContact CD2-CE2 3.74Å; F179-Y201 HydrophobicContact CE2-CE2 4.43Å; F179-Y201 HydrophobicContact CG-CE2 4.19Å; Y201-Q203 HydrophobicContact CE1-CB 3.84Å; Y201-Q203 PolarHBondContact OH-OE1 2.86Å; Y201-G212 CarbonylContact O-C 3.55Å; Y201-G212 WeakPolarHBondContact O-CA 3.41Å; Y201-G213 PolarHBondContact N-O 2.78Å; Y201-G213 PolarHBondContact O-N 2.77Å
202L92.9Very high89.9Confident2 Ų245.8 Ų45.81%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-129.1134.8177.4-80.6165.6000109.3P60 Y63 F179 T180 V210 L231P60-L202 HydrophobicContact CG-CB 4.18Å; Y63-L202 VanDerWaalsContact CA-CD1 3.49Å; Y63-L202 HydrophobicContact CD2-CD1 4.04Å; Y63-L202 HydrophobicContact CD2-CG 4.32Å; Y63-L202 HydrophobicContact CG-CD1 4.45Å; F179-L202 CarbonylContact C-O 3.59Å; F179-L202 WeakPolarHBondContact CA-O 3.29Å; F179-L202 WeakPolarHBondContact CB-O 3.28Å; T180-L202 PolarHBondContact N-O 2.85Å; T180-L202 PolarHBondContact O-N 2.78Å; L202-V210 HydrophobicContact CB-CG1 4.37Å; L202-V210 HydrophobicContact CD2-CG1 3.83Å; L202-L231 HydrophobicContact CD2-CD2 3.74Å
203Q91.9Very high90.5Very high74 Ų7443.1 Ų43.135%0.34626%0.262SS..EExtended strand (participates in β ladder)trans-133.9131.9179.3-175.2170.6-6.400110.1F179 Y201 I205 V210 L211F179-Q203 HydrophobicContact CB-CB 4.37Å; F179-Q203 HydrophobicContact CB-CG 4.43Å; Y201-Q203 HydrophobicContact CE1-CB 3.84Å; Y201-Q203 PolarHBondContact OH-OE1 2.86Å; Q203-I205 PolarHBondContact O-N 2.8Å; Q203-V210 WeakPolarHBondContact O-CA 3.39Å; Q203-L211 PolarHBondContact N-O 2.79Å; Q203-L211 PolarHBondContact O-N 2.65Å; Q203-L211 VanDerWaalsContact O-O 3.1Å
204S91.8Very high91.1Very high4 Ų443.2 Ų43.23%0.02825%0.253CS..EExtended strand (participates in β ladder)trans-76.2118.8170.8-164.10000108.5D178 T206D178-S204 WeakPolarHBondContact O-CB 3.34Å; D178-S204 PolarHBondContact O-N 2.84Å; S204-T206 PolarHBondContact OG-O 2.71Å
205I89.7Confident91.6Very high92 Ų9245.7 Ų45.747%0.47226%0.264SS..SBendtrans-95.6-39.8178.8-60.2-178.1000109.8Q203 L209 L211Q203-I205 PolarHBondContact O-N 2.8Å; I205-L209 PolarHBondContact N-O 3.46Å; I205-L211 HydrophobicContact CD1-CB 3.9Å; I205-L211 HydrophobicContact CD1-CD1 3.43Å; I205-L211 VanDerWaalsContact CD1-CD1 3.43Å; I205-L211 HydrophobicContact CD1-CG 3.66Å
206T88.6Confident91.8Very high67 Ų6746.6 Ų46.641%0.41127%0.267SS..SBendtrans-134.9162.6172.626.70000108.9L57 S204 A208 L209L57-T206 VanDerWaalsContact CD2-C 3.49Å; S204-T206 PolarHBondContact OG-O 2.71Å; T206-A208 PolarHBondContact O-N 2.83Å; T206-L209 PolarHBondContact N-O 2.74Å; T206-L209 PolarHBondContact O-N 2.81Å; T206-L209 VanDerWaalsContact O-O 3.08Å; T206-L209 VanDerWaalsContact OG1-CB 3.24Å; T206-L209 WeakPolarHBondContact OG1-CB 3.45Å
207P85.6Confident91.9Very high110 Ų11047.1 Ų47.171%0.71427%0.265SS*.SBendtrans-53.2-26.8179.9-27.835.6000114.4L57L57-P207 HydrophobicContact CD2-CG 4.23Å
208A87.9Confident91.7Very high28 Ų2846.6 Ų46.623%0.23126%0.259CS..SBendtrans-99.6-25178.200000114.4T206 Y234 T235T206-A208 PolarHBondContact O-N 2.83Å; A208-Y234 HydrophobicContact CB-CD2 4.43Å; A208-Y234 HydrophobicContact CB-CE2 3.98Å; A208-Y234 CarbonylContact O-C 3.6Å; A208-Y234 WeakPolarHBondContact O-CA 3.33Å; A208-T235 VanDerWaalsContact CB-O 3.26Å; A208-T235 WeakPolarHBondContact CB-O 3.39Å; A208-T235 PolarHBondContact O-N 2.8Å
209L90Very high91.4Very high54 Ų5450.8 Ų50.828%0.28327%0.273SS..EExtended strand (participates in β ladder)trans-115.7124.3-171.4-173.971.8000111.8I205 T206 L211 R233 Y234I205-L209 PolarHBondContact N-O 3.46Å; T206-L209 PolarHBondContact N-O 2.74Å; T206-L209 PolarHBondContact O-N 2.81Å; T206-L209 VanDerWaalsContact O-O 3.08Å; T206-L209 VanDerWaalsContact OG1-CB 3.24Å; T206-L209 WeakPolarHBondContact OG1-CB 3.45Å; L209-L211 HydrophobicContact CD1-CD2 4.27Å; L209-L211 HydrophobicContact CG-CD2 4.36Å; L209-L211 HydrophobicContact CG-CG 4.45Å; L209-R233 WeakPolarHBondContact CA-O 3.39Å; L209-Y234 HydrophobicContact CB-CD2 4.4Å; L209-Y234 HydrophobicContact CD1-CD2 4.07Å
210V93.4Very high90.8Very high4 Ų456.8 Ų56.82%0.02429%0.287CS..EExtended strand (participates in β ladder)trans-117.5130174.1177.10000108.3P60 L202 Q203 G232 R233P60-V210 HydrophobicContact CB-CB 4.17Å; P60-V210 HydrophobicContact CB-CG1 3.41Å; P60-V210 VanDerWaalsContact CB-CG1 3.41Å; P60-V210 HydrophobicContact CB-CG2 3.64Å; P60-V210 HydrophobicContact CG-CG1 4.29Å; L202-V210 HydrophobicContact CB-CG1 4.37Å; L202-V210 HydrophobicContact CD2-CG1 3.83Å; Q203-V210 WeakPolarHBondContact O-CA 3.39Å; V210-G232 CarbonylContact O-C 3.53Å; V210-G232 WeakPolarHBondContact O-CA 3.24Å; V210-R233 HydrophobicContact CB-CB 4.28Å; V210-R233 PolarHBondContact N-O 2.85Å; V210-R233 PolarHBondContact O-N 2.81Å
211L94.2Very high90.1Very high75 Ų7560.3 Ų60.339%0.39331%0.312SS..EExtended strand (participates in β ladder)trans-117.9152.3171.2-61.1-173.9000109.8Q203 I205 L209 L231Q203-L211 PolarHBondContact N-O 2.79Å; Q203-L211 PolarHBondContact O-N 2.65Å; Q203-L211 VanDerWaalsContact O-O 3.1Å; I205-L211 HydrophobicContact CD1-CB 3.9Å; I205-L211 HydrophobicContact CD1-CD1 3.43Å; I205-L211 VanDerWaalsContact CD1-CD1 3.43Å; I205-L211 HydrophobicContact CD1-CG 3.66Å; L209-L211 HydrophobicContact CD1-CD2 4.27Å; L209-L211 HydrophobicContact CG-CD2 4.36Å; L209-L211 HydrophobicContact CG-CG 4.45Å; L211-L231 CarbonylContact C-O 3.53Å; L211-L231 WeakPolarHBondContact CA-O 3.47Å
212G93.8Very high89.3Confident14 Ų1460 Ų6014%0.14434%0.339CS..EExtended strand (participates in β ladder)trans-162.3177.917700000113Y201 L231Y201-G212 CarbonylContact O-C 3.55Å; Y201-G212 WeakPolarHBondContact O-CA 3.41Å; G212-L231 PolarHBondContact N-O 2.78Å; G212-L231 PolarHBondContact O-N 3.16Å
213G92.8Very high88.8Confident22 Ų2265.6 Ų65.623%0.22737%0.365CS..EExtended strand (participates in β ladder)trans-136.7151.1176.500000111H200 Y201 S229H200-G213 WeakPolarHBondContact CA-O 3.38Å; Y201-G213 PolarHBondContact N-O 2.78Å; Y201-G213 PolarHBondContact O-N 2.77Å; G213-S229 CarbonylContact C-O 3.55Å; G213-S229 VanDerWaalsContact CA-O 3.28Å; G213-S229 WeakPolarHBondContact CA-O 3.44Å
214E93.5Very high88.6Confident39 Ų3967.7 Ų67.718%0.18238%0.375CS..EExtended strand (participates in β ladder)trans-122.3133.4169.6168.9-177.3-14700108.3Y63 V198 G199 H200 V216 T228 S229Y63-E214 HydrophobicContact CE1-CB 4.27Å; Y63-E214 HydrophobicContact CE1-CG 4.48Å; Y63-E214 WeakPolarHBondContact CE1-OE2 3.44Å; Y63-E214 HydrophobicContact CE2-CB 3.92Å; Y63-E214 WeakPolarHBondContact OH-CB 3.31Å; Y63-E214 PolarHBondContact OH-OE2 3.21Å; V198-E214 HydrophobicContact CG1-CG 3.92Å; G199-E214 CarbonylContact O-C 3.55Å; G199-E214 WeakPolarHBondContact O-CA 3.44Å; H200-E214 IonicContact CE1-OE1 3.76Å; H200-E214 PolarHBondContact CE1-OE1 2.91Å; H200-E214 IonicContact ND1-OE1 3.59Å; E214-V216 HydrophobicContact CG-CG2 3.95Å; E214-T228 CarbonylContact O-C 3.51Å; E214-T228 WeakPolarHBondContact O-CA 3.44Å; E214-S229 PolarHBondContact N-O 2.57Å; E214-S229 PolarHBondContact O-N 2.83Å
215L92.6Very high88.3Confident83 Ų8368.3 Ų68.344%0.43538%0.382SS..EExtended strand (participates in β ladder)trans-121.3111.2174.5-17769.3000108.2V198 G199 T226 T228V198-L215 CarbonylContact C-O 3.5Å; V198-L215 VanDerWaalsContact CA-O 3.32Å; V198-L215 WeakPolarHBondContact CA-O 3.45Å; G199-L215 PolarHBondContact N-O 2.77Å; G199-L215 PolarHBondContact O-N 2.8Å; L215-T226 HydrophobicContact CD1-CG2 3.43Å; L215-T226 VanDerWaalsContact CD1-CG2 3.43Å; L215-T226 HydrophobicContact CG-CG2 4.41Å; L215-T228 WeakPolarHBondContact CD1-OG1 3.42Å
216V92.4Very high88.2Confident33 Ų3368 Ų6820%0.239%0.385CS..EExtended strand (participates in β ladder)trans-101.7109.6174-178.80000108.2I196 V198 E214 T226 V227I196-V216 HydrophobicContact CG2-CG1 4.19Å; V198-V216 HydrophobicContact CG1-CG2 3.85Å; V198-V216 HydrophobicContact CG2-CG1 4.25Å; V198-V216 HydrophobicContact CG2-CG2 4.17Å; E214-V216 HydrophobicContact CG-CG2 3.95Å; V216-T226 WeakPolarHBondContact O-CA 2.96Å; V216-V227 HydrophobicContact CB-CB 4.42Å; V216-V227 PolarHBondContact N-O 3.36Å; V216-V227 PolarHBondContact O-N 2.82Å
217Y90.6Very high88.2Confident69 Ų6966.8 Ų66.827%0.27138%0.377SS..EExtended strand (participates in β ladder)trans-101.5119.4169.2-179.1-106.7000108.8I196 V197 R219 E224 T226I196-Y217 CarbonylContact C-O 3.52Å; I196-Y217 WeakPolarHBondContact CA-O 3.43Å; V197-Y217 PolarHBondContact N-O 2.82Å; V197-Y217 PolarHBondContact O-N 3.28Å; Y217-R219 HydrophobicContact CE1-CB 3.84Å; Y217-R219 PolarHBondContact OH-NH1 2.85Å; Y217-E224 PolarHBondContact OH-OE2 2.68Å; Y217-E224 VanDerWaalsContact OH-OE2 3.09Å; Y217-T226 WeakPolarHBondContact CD2-OG1 3.18Å
218H89.9Confident88.5Confident44 Ų4465.3 Ų65.320%0.20437%0.366CS..EExtended strand (participates in β ladder)trans-119.8132.1170.865.8-82000110I196 G225I196-H218 HydrophobicContact CG1-CB 4.01Å; H218-G225 VanDerWaalsContact CE1-CA 3.42Å; H218-G225 WeakPolarHBondContact CE1-CA 3.48Å; H218-G225 PolarHBondContact N-O 2.8Å; H218-G225 PolarHBondContact ND1-O 2.8Å; H218-G225 VanDerWaalsContact ND1-O 3.1Å; H218-G225 PolarHBondContact O-N 2.83Å
219R85.2Confident88.7Confident107 Ų10764.7 Ų64.740%0.40436%0.36SS..EExtended strand (participates in β ladder)trans-120.2122.2178.4-173.2179-179.593.411.1108.4G193 S194 G195 Y217 E224G193-R219 VanDerWaalsContact O-CD 3.26Å; G193-R219 WeakPolarHBondContact O-CD 3.38Å; G193-R219 WeakPolarHBondContact O-CG 3.32Å; G193-R219 PolarHBondContact O-NE 2.77Å; S194-R219 CarbonylContact C-O 3.53Å; S194-R219 WeakPolarHBondContact CA-O 3.42Å; S194-R219 WeakPolarHBondContact CB-O 3.24Å; G195-R219 PolarHBondContact N-O 2.81Å; G195-R219 PolarHBondContact O-N 3.34Å; Y217-R219 HydrophobicContact CE1-CB 3.84Å; Y217-R219 PolarHBondContact OH-NH1 2.85Å; R219-E224 HydrophobicContact CG-CG 4.38Å; R219-E224 IonicContact CZ-OE1 2.68Å; R219-E224 VanDerWaalsContact CZ-OE1 3.23Å; R219-E224 VanDerWaalsContact NH1-CD 3.28Å; R219-E224 IonicContact NH1-OE1 3.33Å; R219-E224 PolarHBondContact NH1-OE1 2.8Å; R219-E224 IonicContact NH1-OE2 2.78Å; R219-E224 IonicContact NH2-OE1 3.87Å; R219-E224 PolarHBondContact NH2-OE1 3.15Å
220R83.4Confident88.9Confident151 Ų15167.7 Ų67.757%0.5738%0.375SS*.EExtended strand (participates in β ladder)trans-127.1155169.3-68.9-178.6-178.6169.71.3108.7G222 E223R220-G222 PolarHBondContact O-N 3.47Å; R220-E223 PolarHBondContact N-O 3.33Å; R220-E223 CarbonylContact O-C 3.58Å; R220-E223 PolarHBondContact O-N 3.31Å
221P79.3Confident89Confident97 Ų9767.7 Ų67.763%0.6338%0.375SS*.THydrogen-bonded Turntrans-56111.5175.9-24.134.1000110.5V192V192-P221 HydrophobicContact CG1-CG 3.33Å
222G76.6Confident89Confident92 Ų9265 Ų6595%0.94837%0.365SS*.THydrogen-bonded Turntrans90.6-4.1-179.300000116.4R220R220-G222 PolarHBondContact O-N 3.47Å
223E82.2Confident89Confident118 Ų11866.3 Ų66.355%0.55137%0.366SS*.EExtended strand (participates in β ladder)trans-139.8120.3177.7-168.6177.9-173.700110.7R220R220-E223 PolarHBondContact N-O 3.33Å; R220-E223 CarbonylContact O-C 3.58Å; R220-E223 PolarHBondContact O-N 3.31Å
224E86.5Confident89Confident119 Ų11970.6 Ų70.656%0.55638%0.376SS*.EExtended strand (participates in β ladder)trans-115.8126.5170.9-62.9-168-164.100108.6Y217 R219Y217-E224 PolarHBondContact OH-OE2 2.68Å; Y217-E224 VanDerWaalsContact OH-OE2 3.09Å; R219-E224 HydrophobicContact CG-CG 4.38Å; R219-E224 IonicContact CZ-OE1 2.68Å; R219-E224 VanDerWaalsContact CZ-OE1 3.23Å; R219-E224 VanDerWaalsContact NH1-CD 3.28Å; R219-E224 IonicContact NH1-OE1 3.33Å; R219-E224 PolarHBondContact NH1-OE1 2.8Å; R219-E224 IonicContact NH1-OE2 2.78Å; R219-E224 IonicContact NH2-OE1 3.87Å; R219-E224 PolarHBondContact NH2-OE1 3.15Å
225G85.3Confident88.9Confident16 Ų1670.7 Ų70.717%0.16538%0.379CS..EExtended strand (participates in β ladder)trans-135.2130.3178.900000111.1H218H218-G225 VanDerWaalsContact CE1-CA 3.42Å; H218-G225 WeakPolarHBondContact CE1-CA 3.48Å; H218-G225 PolarHBondContact N-O 2.8Å; H218-G225 PolarHBondContact ND1-O 2.8Å; H218-G225 VanDerWaalsContact ND1-O 3.1Å; H218-G225 PolarHBondContact O-N 2.83Å
226T88.6Confident88.8Confident87 Ų8767.6 Ų67.653%0.53437%0.367SS..EExtended strand (participates in β ladder)trans-115124.7171.5-55.30000108.1L215 V216 Y217L215-T226 HydrophobicContact CD1-CG2 3.43Å; L215-T226 VanDerWaalsContact CD1-CG2 3.43Å; L215-T226 HydrophobicContact CG-CG2 4.41Å; V216-T226 WeakPolarHBondContact O-CA 2.96Å; Y217-T226 WeakPolarHBondContact CD2-OG1 3.18Å
227V89.1Confident88.6Confident40 Ų4073.9 Ų73.924%0.24240%0.4CS..EExtended strand (participates in β ladder)trans-117.6126.2173-176.10000107.6V216V216-V227 HydrophobicContact CB-CB 4.42Å; V216-V227 PolarHBondContact N-O 3.36Å; V216-V227 PolarHBondContact O-N 2.82Å
228T91.8Very high88.6Confident80 Ų8075.3 Ų75.349%0.49141%0.412SS..EExtended strand (participates in β ladder)trans-109.2137.2174-48.80000108.8E214 L215 G246 G247E214-T228 CarbonylContact O-C 3.51Å; E214-T228 WeakPolarHBondContact O-CA 3.44Å; L215-T228 WeakPolarHBondContact CD1-OG1 3.42Å; T228-G246 VanDerWaalsContact O-CA 3.27Å; T228-G246 WeakPolarHBondContact O-CA 3.47Å; T228-G247 PolarHBondContact O-N 3Å; T228-G247 VanDerWaalsContact O-N 3.17Å
229S92.1Very high88.7Confident14 Ų1476.3 Ų76.310%0.09842%0.416CS..EExtended strand (participates in β ladder)trans-128.8143.7174.6-520000109.3G213 E214 L245G213-S229 CarbonylContact C-O 3.55Å; G213-S229 VanDerWaalsContact CA-O 3.28Å; G213-S229 WeakPolarHBondContact CA-O 3.44Å; E214-S229 PolarHBondContact N-O 2.57Å; E214-S229 PolarHBondContact O-N 2.83Å; S229-L245 CarbonylContact C-O 3.5Å; S229-L245 WeakPolarHBondContact CA-O 3.46Å
230L94.4Very high89.1Confident117 Ų11771.8 Ų71.861%0.61340%0.4SS*.EExtended strand (participates in β ladder)trans-107.7135.8172.7-63.8174.2000107.9T244 L245L230-T244 CarbonylContact O-C 3.54Å; L230-T244 VanDerWaalsContact O-CA 3.29Å; L230-T244 WeakPolarHBondContact O-CA 3.28Å; L230-L245 PolarHBondContact N-O 2.91Å; L230-L245 PolarHBondContact O-N 2.79Å
231L93.9Very high89.6Confident5 Ų566.1 Ų66.13%0.02639%0.386CS..EExtended strand (participates in β ladder)trans-117.7134.3177.1-173.2149.4000109.6Y63 C66 L202 L211 G212 R233 L243 T244Y63-L231 HydrophobicContact CD2-CB 4.48Å; Y63-L231 HydrophobicContact CD2-CD1 3.76Å; Y63-L231 HydrophobicContact CE2-CB 3.7Å; Y63-L231 HydrophobicContact CE2-CD1 3.35Å; Y63-L231 HydrophobicContact CE2-CG 4.12Å; Y63-L231 HydrophobicContact CG-CD1 4.47Å; C66-L231 HydrophobicContact CB-CD1 3.81Å; C66-L231 HydrophobicContact CB-CD2 4.22Å; L202-L231 HydrophobicContact CD2-CD2 3.74Å; L211-L231 CarbonylContact C-O 3.53Å; L211-L231 WeakPolarHBondContact CA-O 3.47Å; G212-L231 PolarHBondContact N-O 2.78Å; G212-L231 PolarHBondContact O-N 3.16Å; L231-R233 HydrophobicContact CD2-CB 4.22Å; L231-L243 CarbonylContact C-O 3.59Å; L231-L243 WeakPolarHBondContact CA-O 3.26Å; L231-T244 WeakPolarHBondContact CD1-OG1 3.29Å
232G94.2Very high90.3Very high17 Ų1761.9 Ų61.918%0.17536%0.358CS..EExtended strand (participates in β ladder)trans-124.1132.1166.700000110.2V210 T242 L243V210-G232 CarbonylContact O-C 3.53Å; V210-G232 WeakPolarHBondContact O-CA 3.24Å; G232-T242 CarbonylContact O-C 3.55Å; G232-T242 VanDerWaalsContact O-CA 3.26Å; G232-T242 WeakPolarHBondContact O-CA 3.36Å; G232-L243 PolarHBondContact N-O 2.89Å; G232-L243 PolarHBondContact O-N 2.86Å
233R93.8Very high91.2Very high42 Ų4261.2 Ų61.216%0.15833%0.332CS..EExtended strand (participates in β ladder)trans-124.5125.7172.5171.1170.380.786.7-3109.4P60 L209 V210 L231 T235 V240 A241 T242P60-R233 PolarHBondContact O-NH2 2.76Å; L209-R233 WeakPolarHBondContact CA-O 3.39Å; V210-R233 HydrophobicContact CB-CB 4.28Å; V210-R233 PolarHBondContact N-O 2.85Å; V210-R233 PolarHBondContact O-N 2.81Å; L231-R233 HydrophobicContact CD2-CB 4.22Å; R233-T235 PolarHBondContact NH1-OG1 3.33Å; R233-V240 HydrophobicContact CG-CG1 4.1Å; R233-A241 CarbonylContact C-O 3.57Å; R233-A241 WeakPolarHBondContact CA-O 3.28Å; R233-T242 HydrophobicContact CB-CG2 3.85Å; R233-T242 HydrophobicContact CG-CG2 3.75Å
234Y93.3Very high91.7Very high113 Ų11356.3 Ų56.344%0.44331%0.311SS..EExtended strand (participates in β ladder)trans-114.8125.2174-173.9-97.3000109.8A208 L209 F239 V240 A241A208-Y234 HydrophobicContact CB-CD2 4.43Å; A208-Y234 HydrophobicContact CB-CE2 3.98Å; A208-Y234 CarbonylContact O-C 3.6Å; A208-Y234 WeakPolarHBondContact O-CA 3.33Å; L209-Y234 HydrophobicContact CB-CD2 4.4Å; L209-Y234 HydrophobicContact CD1-CD2 4.07Å; Y234-F239 AromaticContact CD1-CE2 3.73Å; Y234-F239 HydrophobicContact CD1-CE2 3.73Å; Y234-F239 HydrophobicContact CD1-CZ 4.15Å; Y234-F239 AromaticContact CE1-CE2 3.83Å; Y234-F239 HydrophobicContact CE1-CE2 3.83Å; Y234-F239 AromaticContact CE1-CZ 3.74Å; Y234-F239 HydrophobicContact CE1-CZ 3.74Å; Y234-V240 CarbonylContact O-C 3.58Å; Y234-V240 WeakPolarHBondContact O-CA 3.48Å; Y234-A241 PolarHBondContact N-O 2.79Å; Y234-A241 PolarHBondContact O-N 3.47Å
235T92Very high92.1Very high41 Ų4154.8 Ų54.825%0.25231%0.306SS..EExtended strand (participates in β ladder)trans-116.1107.5-178.6-55.40000108.5A208 R233 V240A208-T235 VanDerWaalsContact CB-O 3.26Å; A208-T235 WeakPolarHBondContact CB-O 3.39Å; A208-T235 PolarHBondContact O-N 2.8Å; R233-T235 PolarHBondContact NH1-OG1 3.33Å; T235-V240 HydrophobicContact CG2-CG2 4.19Å
236G89.3Confident92.3Very high18 Ų1855.1 Ų55.119%0.18631%0.309CS..  trans-89.2-171.4167.700000111.1N238 F239G236-N238 PolarHBondContact O-N 2.93Å; G236-F239 PolarHBondContact N-O 2.88Å
237D89.1Confident92Very high164 Ų16454.1 Ų54.188%0.87732%0.316SS*.SBendtrans-63.2-43.6-175.9-56.4-41.9000112.6
238N91Very high91.6Very high100 Ų10054.5 Ų54.554%0.53532%0.323SS..SBendtrans-122.3-1.8-175.9-67.3-32.7000114.1G236 H256 K257G236-N238 PolarHBondContact O-N 2.93Å; N238-H256 PolarHBondContact O-CD2 2.91Å; N238-K257 PolarHBondContact O-N 2.84Å
239F92.2Very high91.5Very high65 Ų6551.6 Ų51.629%0.28531%0.309SS..EExtended strand (participates in β ladder)trans-134.4153.9-176.271.1-88.8000112.5Y234 G236 Y254 Y255 H256Y234-F239 AromaticContact CD1-CE2 3.73Å; Y234-F239 HydrophobicContact CD1-CE2 3.73Å; Y234-F239 HydrophobicContact CD1-CZ 4.15Å; Y234-F239 AromaticContact CE1-CE2 3.83Å; Y234-F239 HydrophobicContact CE1-CE2 3.83Å; Y234-F239 AromaticContact CE1-CZ 3.74Å; Y234-F239 HydrophobicContact CE1-CZ 3.74Å; G236-F239 PolarHBondContact N-O 2.88Å; F239-Y254 HydrophobicContact CB-CE2 4.01Å; F239-Y254 HydrophobicContact CD2-CD2 4.48Å; F239-Y254 AromaticContact CD2-CE2 3.6Å; F239-Y254 HydrophobicContact CD2-CE2 3.6Å; F239-Y254 HydrophobicContact CE2-CE2 4.34Å; F239-Y254 HydrophobicContact CG-CE2 4.04Å; F239-Y255 CarbonylContact C-O 3.54Å; F239-Y255 WeakPolarHBondContact CA-O 3.33Å; F239-Y255 VanDerWaalsContact CB-O 3.3Å; F239-Y255 WeakPolarHBondContact CB-O 3.42Å; F239-H256 HydrophobicContact CB-CB 4.25Å
240V93.4Very high91.5Very high12 Ų1252.2 Ų52.27%0.07332%0.315CS..EExtended strand (participates in β ladder)trans-130.9119.5174.5-176.50000107.9K69 R233 Y234 T235 T242 Y255K69-V240 HydrophobicContact CD-CG2 4.32Å; R233-V240 HydrophobicContact CG-CG1 4.1Å; Y234-V240 CarbonylContact O-C 3.58Å; Y234-V240 WeakPolarHBondContact O-CA 3.48Å; T235-V240 HydrophobicContact CG2-CG2 4.19Å; V240-T242 HydrophobicContact CG1-CG2 4.16Å; V240-Y255 HydrophobicContact CB-CD1 4.47Å; V240-Y255 HydrophobicContact CG2-CD1 4.36Å; V240-Y255 PolarHBondContact N-O 2.82Å; V240-Y255 PolarHBondContact O-N 2.97Å
241A94.5Very high91.5Very high32 Ų3248 Ų4826%0.26429%0.292SS..EExtended strand (participates in β ladder)trans-106.2132.6172.200000108.9R233 Y234 T253 Y254R233-A241 CarbonylContact C-O 3.57Å; R233-A241 WeakPolarHBondContact CA-O 3.28Å; Y234-A241 PolarHBondContact N-O 2.79Å; Y234-A241 PolarHBondContact O-N 3.47Å; A241-T253 CarbonylContact C-O 3.52Å; A241-T253 WeakPolarHBondContact CA-O 3.34Å; A241-Y254 HydrophobicContact CB-CD2 4.08Å
242T94Very high91.5Very high7 Ų749.1 Ų49.14%0.04330%0.302CS..EExtended strand (participates in β ladder)trans-128.5146.7171.5680000110.7C66 H67 G232 R233 V240 A252 T253C66-T242 HydrophobicContact CB-CG2 4.32Å; C66-T242 WeakPolarHBondContact O-CG2 3.1Å; H67-T242 PolarHBondContact CE1-OG1 3.35Å; H67-T242 PolarHBondContact ND1-OG1 2.9Å; H67-T242 VanDerWaalsContact ND1-OG1 3.13Å; G232-T242 CarbonylContact O-C 3.55Å; G232-T242 VanDerWaalsContact O-CA 3.26Å; G232-T242 WeakPolarHBondContact O-CA 3.36Å; R233-T242 HydrophobicContact CB-CG2 3.85Å; R233-T242 HydrophobicContact CG-CG2 3.75Å; V240-T242 HydrophobicContact CG1-CG2 4.16Å; T242-A252 CarbonylContact O-C 3.55Å; T242-A252 VanDerWaalsContact O-CA 3.31Å; T242-A252 WeakPolarHBondContact O-CA 3.33Å; T242-T253 PolarHBondContact N-O 2.79Å; T242-T253 PolarHBondContact O-N 2.78Å; T242-T253 PolarHBondContact OG1-OG1 2.81Å
243L94.7Very high91.5Very high79 Ų7948.6 Ų48.641%0.41430%0.295SS..EExtended strand (participates in β ladder)trans-139.7120.8179.517865000108.3L231 G232 L245 A252L231-L243 CarbonylContact C-O 3.59Å; L231-L243 WeakPolarHBondContact CA-O 3.26Å; G232-L243 PolarHBondContact N-O 2.89Å; G232-L243 PolarHBondContact O-N 2.86Å; L243-L245 HydrophobicContact CD1-CD2 3.91Å; L243-L245 HydrophobicContact CD1-CG 4.15Å; L243-L245 HydrophobicContact CD2-CD1 4.02Å; L243-L245 HydrophobicContact CD2-CG 4.17Å; L243-L245 HydrophobicContact CG-CD1 4.36Å; L243-L245 HydrophobicContact CG-CD2 4.27Å; L243-L245 HydrophobicContact CG-CG 3.95Å; L243-A252 HydrophobicContact CD1-CB 3.78Å
244T93.1Very high91.6Very high15 Ų1551 Ų519%0.09231%0.305CS..EExtended strand (participates in β ladder)trans-114.7119.1173.5-60.20000108.1H67 L230 L231 A250 H251H67-T244 PolarHBondContact NE2-OG1 2.84Å; L230-T244 CarbonylContact O-C 3.54Å; L230-T244 VanDerWaalsContact O-CA 3.29Å; L230-T244 WeakPolarHBondContact O-CA 3.28Å; L231-T244 WeakPolarHBondContact CD1-OG1 3.29Å; T244-A250 CarbonylContact O-C 3.54Å; T244-A250 WeakPolarHBondContact O-CA 3.2Å; T244-H251 PolarHBondContact N-O 2.81Å; T244-H251 PolarHBondContact O-N 2.91Å
245L93.4Very high91.7Very high87 Ų8747.1 Ų47.146%0.45529%0.29SS..EExtended strand (participates in β ladder)trans-119117.3179.5-65.3178.3000108.7S229 L230 L243 A250S229-L245 CarbonylContact C-O 3.5Å; S229-L245 WeakPolarHBondContact CA-O 3.46Å; L230-L245 PolarHBondContact N-O 2.91Å; L230-L245 PolarHBondContact O-N 2.79Å; L243-L245 HydrophobicContact CD1-CD2 3.91Å; L243-L245 HydrophobicContact CD1-CG 4.15Å; L243-L245 HydrophobicContact CD2-CD1 4.02Å; L243-L245 HydrophobicContact CD2-CG 4.17Å; L243-L245 HydrophobicContact CG-CD1 4.36Å; L243-L245 HydrophobicContact CG-CD2 4.27Å; L243-L245 HydrophobicContact CG-CG 3.95Å; L245-A250 HydrophobicContact CD2-CB 3.44Å; L245-A250 VanDerWaalsContact CD2-CB 3.44Å
246G89.7Confident91.8Very high22 Ų2248.2 Ų48.223%0.22729%0.292CS..EExtended strand (participates in β ladder)trans-138.7175.2177.600000113T228 A248 G249T228-G246 VanDerWaalsContact O-CA 3.27Å; T228-G246 WeakPolarHBondContact O-CA 3.47Å; G246-A248 PolarHBondContact O-N 2.91Å; G246-G249 PolarHBondContact N-O 3.42Å; G246-G249 PolarHBondContact O-N 2.82Å; G246-G249 VanDerWaalsContact O-N 3.13Å; G246-G249 VanDerWaalsContact O-O 3.07Å
247G83.3Confident92Very high66 Ų6650.9 Ų50.968%0.6830%0.299SS*.THydrogen-bonded Turntrans-60-19.8179.100000114.3T228T228-G247 PolarHBondContact O-N 3Å; T228-G247 VanDerWaalsContact O-N 3.17Å
248A81.3Confident92Very high49 Ų4945.7 Ų45.741%0.40528%0.278SS..THydrogen-bonded Turntrans-91.4-18.8179.200000114.2G246 T272G246-A248 PolarHBondContact O-N 2.91Å; A248-T272 PolarHBondContact O-N 2.79Å
249G89.2Confident91.9Very high18 Ų1845.7 Ų45.719%0.18628%0.278CS..EExtended strand (participates in β ladder)trans159.8-176.6-173.700000114.4G246 A270G246-G249 PolarHBondContact N-O 3.42Å; G246-G249 PolarHBondContact O-N 2.82Å; G246-G249 VanDerWaalsContact O-N 3.13Å; G246-G249 VanDerWaalsContact O-O 3.07Å; G249-A270 CarbonylContact C-O 3.54Å; G249-A270 WeakPolarHBondContact CA-O 3.36Å
250A92.7Very high91.6Very high27 Ų2748.4 Ų48.422%0.22330%0.296CS..EExtended strand (participates in β ladder)trans-119.2134.8175.700000109.8T244 L245 A270T244-A250 CarbonylContact O-C 3.54Å; T244-A250 WeakPolarHBondContact O-CA 3.2Å; L245-A250 HydrophobicContact CD2-CB 3.44Å; L245-A250 VanDerWaalsContact CD2-CB 3.44Å; A250-A270 HydrophobicContact CB-CB 4.37Å; A250-A270 PolarHBondContact N-O 2.91Å; A250-A270 PolarHBondContact O-N 2.8Å
251H93.4Very high91.5Very high30 Ų3052 Ų5214%0.13931%0.312CS..EExtended strand (participates in β ladder)trans-130.7113176-174.2-130.5000109.4H67 T244 E267 F268H67-H251 AromaticContact CD2-ND1 3.87Å; H67-H251 AromaticContact CE1-CE1 3.79Å; H67-H251 AromaticContact CE1-ND1 3.16Å; H67-H251 PolarHBondContact CE1-ND1 3.14Å; H67-H251 AromaticContact CG-CE1 3.84Å; H67-H251 AromaticContact CG-ND1 3.75Å; H67-H251 AromaticContact ND1-CE1 3.47Å; H67-H251 PolarHBondContact ND1-CE1 2.83Å; H67-H251 AromaticContact ND1-ND1 3.33Å; H67-H251 PolarHBondContact ND1-ND1 2.83Å; H67-H251 AromaticContact NE2-ND1 3.54Å; T244-H251 PolarHBondContact N-O 2.81Å; T244-H251 PolarHBondContact O-N 2.91Å; H251-E267 IonicContact CD2-OE1 3.57Å; H251-E267 IonicContact CE1-OE1 3.15Å; H251-E267 PolarHBondContact CE1-OE1 2.81Å; H251-E267 VanDerWaalsContact CE1-OE1 3.31Å; H251-E267 WeakPolarHBondContact NE2-CG 3.4Å; H251-E267 IonicContact NE2-OE1 3.36Å; H251-E267 PolarHBondContact NE2-OE1 2.78Å; H251-F268 CarbonylContact C-O 3.55Å; H251-F268 WeakPolarHBondContact CA-O 3.28Å; H251-F268 PolarHBondContact CD2-O 3.08Å
252A94.6Very high91.4Very high28 Ų2853.3 Ų53.323%0.23131%0.314CS..EExtended strand (participates in β ladder)trans-115.6134.2179.400000109.6T242 L243 F268T242-A252 CarbonylContact O-C 3.55Å; T242-A252 VanDerWaalsContact O-CA 3.31Å; T242-A252 WeakPolarHBondContact O-CA 3.33Å; L243-A252 HydrophobicContact CD1-CB 3.78Å; A252-F268 HydrophobicContact CB-CB 4.32Å; A252-F268 HydrophobicContact CB-CD1 4.45Å; A252-F268 PolarHBondContact N-O 2.81Å; A252-F268 PolarHBondContact O-N 2.85Å
253T94.8Very high91.4Very high6 Ų655 Ų554%0.03732%0.321CS..EExtended strand (participates in β ladder)trans-130.3141.917470.30000111.3H67 C70 A241 T242 V266 E267H67-T253 VanDerWaalsContact ND1-CG2 3.31Å; H67-T253 WeakPolarHBondContact ND1-CG2 3.32Å; H67-T253 PolarHBondContact ND1-OG1 2.82Å; C70-T253 HydrophobicContact CB-CG2 4.21Å; A241-T253 CarbonylContact C-O 3.52Å; A241-T253 WeakPolarHBondContact CA-O 3.34Å; T242-T253 PolarHBondContact N-O 2.79Å; T242-T253 PolarHBondContact O-N 2.78Å; T242-T253 PolarHBondContact OG1-OG1 2.81Å; T253-V266 CarbonylContact C-O 3.51Å; T253-V266 VanDerWaalsContact CA-O 3.28Å; T253-V266 WeakPolarHBondContact CA-O 3.4Å; T253-E267 HydrophobicContact CG2-CB 4.24Å; T253-E267 HydrophobicContact CG2-CG 4Å
254Y95.3Very high91.5Very high93 Ų9352.7 Ų52.737%0.36531%0.31SS..EExtended strand (participates in β ladder)trans-130.1112.7178.4-179.8-97000109F239 A241 H256 G265 V266F239-Y254 HydrophobicContact CB-CE2 4.01Å; F239-Y254 HydrophobicContact CD2-CD2 4.48Å; F239-Y254 AromaticContact CD2-CE2 3.6Å; F239-Y254 HydrophobicContact CD2-CE2 3.6Å; F239-Y254 HydrophobicContact CE2-CE2 4.34Å; F239-Y254 HydrophobicContact CG-CE2 4.04Å; A241-Y254 HydrophobicContact CB-CD2 4.08Å; Y254-H256 HydrophobicContact CD1-CB 4.42Å; Y254-H256 HydrophobicContact CE1-CB 3.64Å; Y254-G265 CarbonylContact O-C 3.59Å; Y254-G265 WeakPolarHBondContact O-CA 3.39Å; Y254-V266 PolarHBondContact N-O 2.89Å; Y254-V266 PolarHBondContact O-N 3.46Å
255Y95.4Very high91.6Very high31 Ų3152 Ų5212%0.12231%0.306CS..EExtended strand (participates in β ladder)trans-104.5135.5175170.1-93.2000109.4K69 V73 F239 V240 K257 Q263K69-Y255 HydrophobicContact CB-CG 4.44Å; V73-Y255 HydrophobicContact CG2-CD2 3.7Å; V73-Y255 HydrophobicContact CG2-CE2 3.61Å; F239-Y255 CarbonylContact C-O 3.54Å; F239-Y255 WeakPolarHBondContact CA-O 3.33Å; F239-Y255 VanDerWaalsContact CB-O 3.3Å; F239-Y255 WeakPolarHBondContact CB-O 3.42Å; V240-Y255 HydrophobicContact CB-CD1 4.47Å; V240-Y255 HydrophobicContact CG2-CD1 4.36Å; V240-Y255 PolarHBondContact N-O 2.82Å; V240-Y255 PolarHBondContact O-N 2.97Å; Y255-K257 HydrophobicContact CE1-CB 4.3Å; Y255-Q263 HydrophobicContact CE2-CB 4.13Å; Y255-Q263 VanDerWaalsContact OH-CD 3.22Å; Y255-Q263 PolarHBondContact OH-OE1 2.8Å
256H93.9Very high91.7Very high64 Ų6450 Ų5030%0.29630%0.298SS..EExtended strand (participates in β ladder)trans-140.3124.6176.4-177.1-141.3000111N238 F239 Y254 A258 V264N238-H256 PolarHBondContact O-CD2 2.91Å; F239-H256 HydrophobicContact CB-CB 4.25Å; Y254-H256 HydrophobicContact CD1-CB 4.42Å; Y254-H256 HydrophobicContact CE1-CB 3.64Å; H256-A258 PolarHBondContact O-N 2.87Å; H256-V264 PolarHBondContact N-O 2.81Å; H256-V264 PolarHBondContact O-N 2.77Å
257K93.3Very high92Very high74 Ų7450.3 Ų50.332%0.32229%0.293SS..EExtended strand (participates in β ladder)trans-87.795.6172-169.5-173.4-170.3-1580108.6N238 Y255 D260 Q263N238-K257 PolarHBondContact O-N 2.84Å; Y255-K257 HydrophobicContact CE1-CB 4.3Å; K257-D260 IonicContact NZ-OD1 3.42Å; K257-D260 PolarHBondContact NZ-OD1 2.91Å; K257-Q263 HydrophobicContact CG-CG 4.33Å
258A89Confident92.5Very high55 Ų5551 Ų5146%0.45528%0.278SS..  trans-72.1-38.9-179.600000112H256 L262H256-A258 PolarHBondContact O-N 2.87Å; A258-L262 HydrophobicContact CB-CD2 4.34Å; A258-L262 HydrophobicContact CB-CG 4.45Å; A258-L262 PolarHBondContact N-O 2.91Å; A258-L262 VanDerWaalsContact N-O 3.13Å
259N89.6Confident93.1Very high100 Ų10053.8 Ų53.854%0.53528%0.282SS..SBendtrans-152.1172.2177.3-153.78.7000110.3Q261 L262N259-Q261 PolarHBondContact O-N 3.08Å; N259-Q261 VanDerWaalsContact O-N 3.15Å; N259-L262 HydrophobicContact CB-CB 4.43Å; N259-L262 PolarHBondContact N-O 2.88Å; N259-L262 PolarHBondContact O-N 2.99Å
260D86Confident93.3Very high121 Ų12153.9 Ų53.965%0.64728%0.281SS*.SBendtrans-62.5-23.8177.5-73.2-32.4000113.5K257K257-D260 IonicContact NZ-OD1 3.42Å; K257-D260 PolarHBondContact NZ-OD1 2.91Å
261Q90.1Very high93.2Very high87 Ų8754.2 Ų54.241%0.40728%0.282SS..SBendtrans-95.8-24.8177-64.6179.7-21.800113.3N259 L285 D286N259-Q261 PolarHBondContact O-N 3.08Å; N259-Q261 VanDerWaalsContact O-N 3.15Å; Q261-L285 HydrophobicContact CB-CD1 4.45Å; Q261-L285 CarbonylContact O-C 3.56Å; Q261-L285 VanDerWaalsContact O-CA 3.31Å; Q261-L285 WeakPolarHBondContact O-CA 3.32Å; Q261-D286 WeakPolarHBondContact CB-O 3.27Å; Q261-D286 WeakPolarHBondContact CG-O 3.38Å; Q261-D286 PolarHBondContact O-N 2.79Å
262L92.9Very high92.8Very high60 Ų6057.5 Ų57.531%0.31430%0.304SS..EExtended strand (participates in β ladder)trans-123122.1-169.3-179.665.7000111.3A258 N259 V264 Y283 Q284 L285A258-L262 HydrophobicContact CB-CD2 4.34Å; A258-L262 HydrophobicContact CB-CG 4.45Å; A258-L262 PolarHBondContact N-O 2.91Å; A258-L262 VanDerWaalsContact N-O 3.13Å; N259-L262 HydrophobicContact CB-CB 4.43Å; N259-L262 PolarHBondContact N-O 2.88Å; N259-L262 PolarHBondContact O-N 2.99Å; L262-V264 HydrophobicContact CG-CG2 4.4Å; L262-Y283 HydrophobicContact CD1-CD2 4.35Å; L262-Q284 WeakPolarHBondContact CA-O 3.4Å; L262-L285 HydrophobicContact CB-CD1 4.41Å; L262-L285 HydrophobicContact CD1-CD1 4.3Å
263Q94.6Very high92.3Very high43 Ų4366.1 Ų66.120%0.20133%0.331CS..EExtended strand (participates in β ladder)trans-122.4142.3175.1-52.6-178.924.600109.2V73 Y255 K257 Y283 Q284V73-Q263 HydrophobicContact CG2-CB 4.46Å; Y255-Q263 HydrophobicContact CE2-CB 4.13Å; Y255-Q263 VanDerWaalsContact OH-CD 3.22Å; Y255-Q263 PolarHBondContact OH-OE1 2.8Å; K257-Q263 HydrophobicContact CG-CG 4.33Å; Q263-Y283 CarbonylContact O-C 3.53Å; Q263-Y283 VanDerWaalsContact O-CA 3.3Å; Q263-Y283 WeakPolarHBondContact O-CA 3.38Å; Q263-Q284 HydrophobicContact CB-CB 4.41Å; Q263-Q284 PolarHBondContact N-O 2.94Å; Q263-Q284 PolarHBondContact O-N 2.81Å
264V95.7Very high91.8Very high30 Ų3072.2 Ų72.218%0.18236%0.361CS..EExtended strand (participates in β ladder)trans-127.6140.5-177.5-177.70000108.9H256 L262 F281H256-V264 PolarHBondContact N-O 2.81Å; H256-V264 PolarHBondContact O-N 2.77Å; L262-V264 HydrophobicContact CG-CG2 4.4Å; V264-F281 HydrophobicContact CG1-CD2 4.37Å; V264-F281 HydrophobicContact CG1-CE2 3.42Å; V264-F281 VanDerWaalsContact CG1-CE2 3.42Å; V264-F281 HydrophobicContact CG1-CZ 3.6Å
265G95.6Very high91.5Very high0 Ų076.1 Ų76.10%038%0.382CS..EExtended strand (participates in β ladder)trans-133138.1177.400000110.3Y254 G282Y254-G265 CarbonylContact O-C 3.59Å; Y254-G265 WeakPolarHBondContact O-CA 3.39Å; G265-G282 PolarHBondContact N-O 3.32Å; G265-G282 PolarHBondContact O-N 2.91Å; G265-G282 VanDerWaalsContact O-O 3.05Å
266V95.8Very high91.2Very high47 Ų4779.6 Ų79.629%0.28540%0.403SS..EExtended strand (participates in β ladder)trans-125.9130.1172.2-172.10000107.9C70 T253 Y254 T279 S280 F281C70-V266 PolarHBondContact SG-O 3.08Å; T253-V266 CarbonylContact C-O 3.51Å; T253-V266 VanDerWaalsContact CA-O 3.28Å; T253-V266 WeakPolarHBondContact CA-O 3.4Å; Y254-V266 PolarHBondContact N-O 2.89Å; Y254-V266 PolarHBondContact O-N 3.46Å; V266-T279 HydrophobicContact CG1-CG2 4.5Å; V266-S280 WeakPolarHBondContact CA-O 3.35Å; V266-F281 HydrophobicContact CG2-CD2 3.82Å; V266-F281 HydrophobicContact CG2-CE2 4.3Å
267E95.1Very high91.2Very high27 Ų2780.9 Ų80.913%0.12642%0.415CS..EExtended strand (participates in β ladder)trans-123128.6179.7178.2163.8-163.800108.8F74 H251 T253 T279 S280F74-E267 HydrophobicContact CE2-CB 3.88Å; F74-E267 WeakPolarHBondContact CE2-OE2 3.32Å; F74-E267 HydrophobicContact CZ-CB 3.69Å; H251-E267 IonicContact CD2-OE1 3.57Å; H251-E267 IonicContact CE1-OE1 3.15Å; H251-E267 PolarHBondContact CE1-OE1 2.81Å; H251-E267 VanDerWaalsContact CE1-OE1 3.31Å; H251-E267 WeakPolarHBondContact NE2-CG 3.4Å; H251-E267 IonicContact NE2-OE1 3.36Å; H251-E267 PolarHBondContact NE2-OE1 2.78Å; T253-E267 HydrophobicContact CG2-CB 4.24Å; T253-E267 HydrophobicContact CG2-CG 4Å; E267-T279 CarbonylContact O-C 3.5Å; E267-T279 WeakPolarHBondContact O-CA 3.41Å; E267-S280 PolarHBondContact N-O 3.47Å; E267-S280 PolarHBondContact O-N 2.78Å
268F94.8Very high91.2Very high81 Ų8179.1 Ų79.136%0.35541%0.411SS..EExtended strand (participates in β ladder)trans-122.6119.1176175.5-97.4000108.3H251 A252 A270 T279H251-F268 CarbonylContact C-O 3.55Å; H251-F268 WeakPolarHBondContact CA-O 3.28Å; H251-F268 PolarHBondContact CD2-O 3.08Å; A252-F268 HydrophobicContact CB-CB 4.32Å; A252-F268 HydrophobicContact CB-CD1 4.45Å; A252-F268 PolarHBondContact N-O 2.81Å; A252-F268 PolarHBondContact O-N 2.85Å; F268-A270 HydrophobicContact CE1-CB 3.77Å; F268-A270 HydrophobicContact CZ-CB 3.98Å; F268-T279 WeakPolarHBondContact CD2-OG1 3.36Å
269E93.8Very high91.5Very high107 Ų10779.3 Ų79.350%0.541%0.406SS..EExtended strand (participates in β ladder)trans-121.1123.2178.7-169.2178.7169.700109.2T277 T278E269-T277 CarbonylContact O-C 3.49Å; E269-T277 WeakPolarHBondContact O-CA 3.01Å; E269-T278 PolarHBondContact N-O 2.81Å; E269-T278 PolarHBondContact O-N 3.23Å
270A93.3Very high91.7Very high20 Ų2075.6 Ų75.617%0.16539%0.388CS..EExtended strand (participates in β ladder)trans-123115175.500000108.9G249 A250 F268 T277G249-A270 CarbonylContact C-O 3.54Å; G249-A270 WeakPolarHBondContact CA-O 3.36Å; A250-A270 HydrophobicContact CB-CB 4.37Å; A250-A270 PolarHBondContact N-O 2.91Å; A250-A270 PolarHBondContact O-N 2.8Å; F268-A270 HydrophobicContact CE1-CB 3.77Å; F268-A270 HydrophobicContact CZ-CB 3.98Å; A270-T277 HydrophobicContact CB-CG2 3.96Å
271S90.1Very high92.2Very high35 Ų3574.2 Ų74.225%0.24538%0.377CS..EExtended strand (participates in β ladder)trans-98118.8177-174.80000110.3R273 M274 Q275 D276S271-R273 VanDerWaalsContact C-N 3.28Å; S271-R273 PolarHBondContact O-N 2.97Å; S271-M274 PolarHBondContact OG-N 3.31Å; S271-Q275 VanDerWaalsContact O-CA 3.3Å; S271-Q275 WeakPolarHBondContact O-CA 3.42Å; S271-Q275 PolarHBondContact O-N 3.4Å; S271-D276 PolarHBondContact N-O 2.96Å; S271-D276 PolarHBondContact O-N 2.8Å
272T86.1Confident92.5Very high98 Ų9870 Ų7060%0.60136%0.357SS*.THydrogen-bonded Turntrans-69.1-31.3176.3-51.80000111.4A248A248-T272 PolarHBondContact O-N 2.79Å
273R83.4Confident92.6Very high210 Ų21071.2 Ų71.279%0.79236%0.358SS*.THydrogen-bonded Turntrans-69.9-48.1-179.7-176.6-175.5-64.2-116.20.5112.2S271S271-R273 VanDerWaalsContact C-N 3.28Å; S271-R273 PolarHBondContact O-N 2.97Å
274M84.8Confident92.6Very high134 Ų13470.4 Ų70.466%0.6635%0.354SS*.THydrogen-bonded Turntrans-86.3-11.5-178.9-60.3-60.7-117.200112.6S271 D276S271-M274 PolarHBondContact OG-N 3.31Å; M274-D276 HydrophobicContact CB-CB 4.21Å; M274-D276 PolarHBondContact O-N 3.02Å
275Q87.9Confident92.5Very high175 Ų17571.9 Ų71.982%0.81836%0.361SS*.THydrogen-bonded Turntrans54.829.8-171.4-59.7-175.5-31.600113S271S271-Q275 VanDerWaalsContact O-CA 3.3Å; S271-Q275 WeakPolarHBondContact O-CA 3.42Å; S271-Q275 PolarHBondContact O-N 3.4Å
276D89.6Confident92.4Very high103 Ų10375 Ų7555%0.55138%0.378SS*.EExtended strand (participates in β ladder)trans-107.3137.9-179.4-78.8-23.4000110.2S271 M274S271-D276 PolarHBondContact N-O 2.96Å; S271-D276 PolarHBondContact O-N 2.8Å; M274-D276 HydrophobicContact CB-CB 4.21Å; M274-D276 PolarHBondContact O-N 3.02Å
277T93.3Very high92.1Very high91 Ų9174.8 Ų74.856%0.55838%0.376SS*.EExtended strand (participates in β ladder)trans-122.8127.1174.957.90000109.4E269 A270E269-T277 CarbonylContact O-C 3.49Å; E269-T277 WeakPolarHBondContact O-CA 3.01Å; A270-T277 HydrophobicContact CB-CG2 3.96Å
278T93Very high91.6Very high38 Ų3877 Ų7723%0.23339%0.393CS..EExtended strand (participates in β ladder)trans-127.5132.2-177.6-59.80000109.2E269 D299E269-T278 PolarHBondContact N-O 2.81Å; E269-T278 PolarHBondContact O-N 3.23Å; T278-D299 WeakPolarHBondContact CG2-OD1 3.29Å; T278-D299 WeakPolarHBondContact CG2-OD2 3.41Å
279T95.3Very high91.1Very high58 Ų5882.8 Ų82.836%0.35642%0.418SS..EExtended strand (participates in β ladder)trans-124.4115.1177.6-50.40000109.5V266 E267 F268 D299 S300V266-T279 HydrophobicContact CG1-CG2 4.5Å; E267-T279 CarbonylContact O-C 3.5Å; E267-T279 WeakPolarHBondContact O-CA 3.41Å; F268-T279 WeakPolarHBondContact CD2-OG1 3.36Å; T279-D299 VanDerWaalsContact C-OD1 3.22Å; T279-S300 PolarHBondContact N-OG 3.15Å; T279-S300 PolarHBondContact O-N 2.79Å
280S94.8Very high90.7Very high23 Ų2379.8 Ų79.816%0.16141%0.411CS..EExtended strand (participates in β ladder)trans-111.6130.3-179.4-710000110.8V266 E267 D299V266-S280 WeakPolarHBondContact CA-O 3.35Å; E267-S280 PolarHBondContact N-O 3.47Å; E267-S280 PolarHBondContact O-N 2.78Å; S280-D299 PolarHBondContact OG-OD1 2.9Å
281F96.4Very high90.4Very high91 Ų9182.5 Ų82.540%0.39942%0.423SS..EExtended strand (participates in β ladder)trans-110.4123.8173.7176-89000109V264 V266 Y283 T297 V298V264-F281 HydrophobicContact CG1-CD2 4.37Å; V264-F281 HydrophobicContact CG1-CE2 3.42Å; V264-F281 VanDerWaalsContact CG1-CE2 3.42Å; V264-F281 HydrophobicContact CG1-CZ 3.6Å; V266-F281 HydrophobicContact CG2-CD2 3.82Å; V266-F281 HydrophobicContact CG2-CE2 4.3Å; F281-Y283 HydrophobicContact CE1-CD1 4.1Å; F281-T297 CarbonylContact O-C 3.59Å; F281-T297 VanDerWaalsContact O-CA 3.24Å; F281-T297 WeakPolarHBondContact O-CA 3.23Å; F281-T297 PolarHBondContact O-OG1 2.72Å; F281-V298 PolarHBondContact N-O 2.96Å; F281-V298 PolarHBondContact O-N 2.87Å
282G95.5Very high90.4Very high0 Ų082.7 Ų82.70%042%0.421CS..EExtended strand (participates in β ladder)trans-124.8149.7179.800000112G265 G296G265-G282 PolarHBondContact N-O 3.32Å; G265-G282 PolarHBondContact O-N 2.91Å; G265-G282 VanDerWaalsContact O-O 3.05Å; G282-G296 CarbonylContact C-O 3.59Å; G282-G296 VanDerWaalsContact CA-O 3.24Å; G282-G296 WeakPolarHBondContact CA-O 3.06Å
283Y95.3Very high90.7Very high85 Ų8579.6 Ų79.633%0.33340%0.401SS..EExtended strand (participates in β ladder)trans-140.9148.6170.168.9-83.6000110.9L262 Q263 F281 F294 K295 G296L262-Y283 HydrophobicContact CD1-CD2 4.35Å; Q263-Y283 CarbonylContact O-C 3.53Å; Q263-Y283 VanDerWaalsContact O-CA 3.3Å; Q263-Y283 WeakPolarHBondContact O-CA 3.38Å; F281-Y283 HydrophobicContact CE1-CD1 4.1Å; Y283-F294 AromaticContact CE2-CD1 3.79Å; Y283-F294 HydrophobicContact CE2-CD1 3.79Å; Y283-F294 AromaticContact CE2-CE1 3.63Å; Y283-F294 HydrophobicContact CE2-CE1 3.63Å; Y283-F294 AromaticContact CZ-CE1 3.62Å; Y283-F294 VanDerWaalsContact OH-CE1 3.28Å; Y283-F294 WeakPolarHBondContact OH-CE1 3.39Å; Y283-K295 CarbonylContact O-C 3.56Å; Y283-K295 WeakPolarHBondContact O-CA 3.08Å; Y283-G296 PolarHBondContact N-O 2.8Å; Y283-G296 PolarHBondContact O-N 3.1Å
284Q95.1Very high91.3Very high26 Ų2672 Ų7212%0.12137%0.373CS..EExtended strand (participates in β ladder)trans-124.1124.5177.1174.6176.7-43.500108.7E72 V73 L262 Q263 L293 F294 K295E72-Q284 PolarHBondContact O-OE1 2.95Å; V73-Q284 HydrophobicContact CG1-CB 3.91Å; L262-Q284 WeakPolarHBondContact CA-O 3.4Å; Q263-Q284 HydrophobicContact CB-CB 4.41Å; Q263-Q284 PolarHBondContact N-O 2.94Å; Q263-Q284 PolarHBondContact O-N 2.81Å; Q284-L293 HydrophobicContact CG-CD1 3.84Å; Q284-F294 CarbonylContact C-O 3.55Å; Q284-F294 WeakPolarHBondContact CA-O 3.48Å; Q284-K295 HydrophobicContact CB-CG 4.17Å; Q284-K295 HydrophobicContact CG-CG 4.02Å
285L94Very high91.8Very high61 Ų6167.4 Ų67.432%0.31935%0.35SS..EExtended strand (participates in β ladder)trans-114.2115.1176.4-175.572.5000109.2Q261 L262 V287 F294Q261-L285 HydrophobicContact CB-CD1 4.45Å; Q261-L285 CarbonylContact O-C 3.56Å; Q261-L285 VanDerWaalsContact O-CA 3.31Å; Q261-L285 WeakPolarHBondContact O-CA 3.32Å; L262-L285 HydrophobicContact CB-CD1 4.41Å; L262-L285 HydrophobicContact CD1-CD1 4.3Å; L285-V287 HydrophobicContact CD2-CG2 4.05Å; L285-V287 HydrophobicContact CG-CG2 3.98Å; L285-F294 HydrophobicContact CB-CB 4.39Å; L285-F294 PolarHBondContact N-O 2.88Å; L285-F294 PolarHBondContact O-N 3.46Å
286D92.6Very high92.2Very high65 Ų6559.2 Ų59.235%0.34831%0.312SS..EExtended strand (participates in β ladder)trans-101.2118.4173-170-7.3000109.8Q261 P288 L293Q261-D286 WeakPolarHBondContact CB-O 3.27Å; Q261-D286 WeakPolarHBondContact CG-O 3.38Å; Q261-D286 PolarHBondContact O-N 2.79Å; D286-P288 VanDerWaalsContact O-CD 3.26Å; D286-P288 WeakPolarHBondContact O-CD 3.48Å; D286-L293 HydrophobicContact CB-CD1 3.82Å
287V90.4Very high92.5Very high42 Ų4255.1 Ų55.126%0.25529%0.291SS..EExtended strand (participates in β ladder)trans-113.586.1177.6-1710000108.6L285 K289 A290 N291 L292L285-V287 HydrophobicContact CD2-CG2 4.05Å; L285-V287 HydrophobicContact CG-CG2 3.98Å; V287-K289 VanDerWaalsContact C-N 3.26Å; V287-K289 PolarHBondContact O-N 3.17Å; V287-A290 HydrophobicContact CB-CB 4.35Å; V287-A290 HydrophobicContact CG1-CB 3.87Å; V287-A290 PolarHBondContact O-N 3.07Å; V287-N291 PolarHBondContact O-N 3.13Å; V287-N291 VanDerWaalsContact O-N 3.14Å; V287-L292 HydrophobicContact CB-CB 4.44Å; V287-L292 PolarHBondContact N-O 2.83Å; V287-L292 PolarHBondContact O-N 3.25Å
288P85.3Confident92.6Very high75 Ų7554.3 Ų54.349%0.48729%0.286SS..G310 helixtrans-62.4-33.2-174.220.7-32.3000112.5D286 A290 N291D286-P288 VanDerWaalsContact O-CD 3.26Å; D286-P288 WeakPolarHBondContact O-CD 3.48Å; P288-A290 PolarHBondContact O-N 3.21Å; P288-N291 PolarHBondContact O-N 3.21Å
289K83.6Confident92.6Very high202 Ų20253.7 Ų53.788%0.87828%0.281SS*.G310 helixtrans-60.8-27.9176.3-66.9-174.4179.91790113.4V287V287-K289 VanDerWaalsContact C-N 3.26Å; V287-K289 PolarHBondContact O-N 3.17Å
290A84.4Confident92.5Very high43 Ų4353.6 Ų53.636%0.35528%0.283SS..G310 helixtrans-1061.4-179.200000113V287 P288 L292V287-A290 HydrophobicContact CB-CB 4.35Å; V287-A290 HydrophobicContact CG1-CB 3.87Å; V287-A290 PolarHBondContact O-N 3.07Å; P288-A290 PolarHBondContact O-N 3.21Å; A290-L292 HydrophobicContact CB-CB 4.06Å; A290-L292 PolarHBondContact O-N 3.07Å
291N87.8Confident92.3Very high77 Ų7755.5 Ų55.541%0.41229%0.291SS..THydrogen-bonded Turntrans4942.7-172.2-66.1-58.8000112.5V287 P288 K310 K311V287-N291 PolarHBondContact O-N 3.13Å; V287-N291 VanDerWaalsContact O-N 3.14Å; P288-N291 PolarHBondContact O-N 3.21Å; N291-K310 WeakPolarHBondContact O-CA 3.43Å; N291-K311 HydrophobicContact CB-CB 4.19Å; N291-K311 PolarHBondContact O-N 2.87Å
292L90.5Very high92.1Very high40 Ų4059.9 Ų59.921%0.20931%0.305CS..EExtended strand (participates in β ladder)trans-123.9127.3-170.4-168.276.3000109.7V287 A290 L308 E309 K310V287-L292 HydrophobicContact CB-CB 4.44Å; V287-L292 PolarHBondContact N-O 2.83Å; V287-L292 PolarHBondContact O-N 3.25Å; A290-L292 HydrophobicContact CB-CB 4.06Å; A290-L292 PolarHBondContact O-N 3.07Å; L292-L308 HydrophobicContact CD1-CD1 3.54Å; L292-L308 HydrophobicContact CD1-CD2 4.13Å; L292-L308 HydrophobicContact CD1-CG 3.75Å; L292-L308 HydrophobicContact CD2-CD1 3.86Å; L292-L308 HydrophobicContact CG-CD1 3.77Å; L292-L308 HydrophobicContact CG-CG 4.48Å; L292-E309 CarbonylContact C-O 3.51Å; L292-E309 WeakPolarHBondContact CA-O 3.34Å; L292-K310 HydrophobicContact CD1-CB 3.78Å; L292-K310 HydrophobicContact CD1-CD 4.12Å; L292-K310 HydrophobicContact CD1-CG 4.04Å
293L92.6Very high92Very high33 Ų3361.3 Ų61.317%0.17331%0.314CS..EExtended strand (participates in β ladder)trans-115119.7170.8-174.673.8000108.1Q284 D286 E309Q284-L293 HydrophobicContact CG-CD1 3.84Å; D286-L293 HydrophobicContact CB-CD1 3.82Å; L293-E309 HydrophobicContact CB-CB 4.28Å; L293-E309 PolarHBondContact N-O 2.9Å; L293-E309 PolarHBondContact O-N 2.87Å
294F94.6Very high92Very high49 Ų4959.5 Ų59.522%0.21531%0.312CS..EExtended strand (participates in β ladder)trans-113.6133177.5-179.4-91.7000109.8Y283 Q284 L285 A306 T307 L308Y283-F294 AromaticContact CE2-CD1 3.79Å; Y283-F294 HydrophobicContact CE2-CD1 3.79Å; Y283-F294 AromaticContact CE2-CE1 3.63Å; Y283-F294 HydrophobicContact CE2-CE1 3.63Å; Y283-F294 AromaticContact CZ-CE1 3.62Å; Y283-F294 VanDerWaalsContact OH-CE1 3.28Å; Y283-F294 WeakPolarHBondContact OH-CE1 3.39Å; Q284-F294 CarbonylContact C-O 3.55Å; Q284-F294 WeakPolarHBondContact CA-O 3.48Å; L285-F294 HydrophobicContact CB-CB 4.39Å; L285-F294 PolarHBondContact N-O 2.88Å; L285-F294 PolarHBondContact O-N 3.46Å; F294-A306 HydrophobicContact CE2-CB 3.86Å; F294-A306 HydrophobicContact CZ-CB 3.67Å; F294-T307 WeakPolarHBondContact CA-O 3.31Å; F294-L308 HydrophobicContact CB-CD1 4.19Å; F294-L308 HydrophobicContact CD2-CB 4.34Å; F294-L308 HydrophobicContact CD2-CD1 3.65Å; F294-L308 HydrophobicContact CG-CD1 4.4Å
295K95.8Very high91.9Very high39 Ų3958.7 Ų58.717%0.1731%0.31CS..EExtended strand (participates in β ladder)trans-124.9130.5173.8-61.3-173.7-173.2-164.80109E72 P75 Y283 Q284 A306 T307E72-K295 PolarHBondContact O-NZ 2.94Å; P75-K295 HydrophobicContact CB-CB 3.89Å; Y283-K295 CarbonylContact O-C 3.56Å; Y283-K295 WeakPolarHBondContact O-CA 3.08Å; Q284-K295 HydrophobicContact CB-CG 4.17Å; Q284-K295 HydrophobicContact CG-CG 4.02Å; K295-A306 CarbonylContact O-C 3.56Å; K295-A306 VanDerWaalsContact O-CA 3.22Å; K295-A306 WeakPolarHBondContact O-CA 3.22Å; K295-T307 PolarHBondContact N-O 2.8Å; K295-T307 PolarHBondContact O-N 2.91Å
296G95.9Very high92Very high2 Ų257.2 Ų57.22%0.02131%0.306CS..EExtended strand (participates in β ladder)trans-123.2149.1176.500000110.9G282 Y283 G305G282-G296 CarbonylContact C-O 3.59Å; G282-G296 VanDerWaalsContact CA-O 3.24Å; G282-G296 WeakPolarHBondContact CA-O 3.06Å; Y283-G296 PolarHBondContact N-O 2.8Å; Y283-G296 PolarHBondContact O-N 3.1Å; G296-G305 CarbonylContact C-O 3.58Å; G296-G305 WeakPolarHBondContact CA-O 3.23Å
297T96.1Very high92.1Very high17 Ų1754.4 Ų54.410%0.10429%0.292CS..EExtended strand (participates in β ladder)trans-141147.5173.3-169.60000111.9F74 P75 F281 V304 G305 F324F74-T297 WeakPolarHBondContact CD1-OG1 3.37Å; P75-T297 HydrophobicContact CG-CG2 3.4Å; P75-T297 VanDerWaalsContact CG-CG2 3.4Å; F281-T297 CarbonylContact O-C 3.59Å; F281-T297 VanDerWaalsContact O-CA 3.24Å; F281-T297 WeakPolarHBondContact O-CA 3.23Å; F281-T297 PolarHBondContact O-OG1 2.72Å; T297-V304 WeakPolarHBondContact O-CA 3.35Å; T297-G305 PolarHBondContact N-O 3.26Å; T297-G305 PolarHBondContact O-N 2.91Å; T297-F324 HydrophobicContact CG2-CE1 3.94Å
298V95.5Very high92.3Very high74 Ų7455 Ų5545%0.44829%0.293SS..EExtended strand (participates in β ladder)trans-136.5127.5172.5-178.70000107.7F281 V304F281-V298 PolarHBondContact N-O 2.96Å; F281-V298 PolarHBondContact O-N 2.87Å; V298-V304 HydrophobicContact CG1-CG1 4.2Å; V298-V304 HydrophobicContact CG2-CG1 4.13Å
299D93.4Very high92.6Very high26 Ų2654.9 Ų54.914%0.13929%0.286CS..EExtended strand (participates in β ladder)trans-114.1153.3-179.6-17534.7000111.9T278 T279 S280 N301 W302 V303T278-D299 WeakPolarHBondContact CG2-OD1 3.29Å; T278-D299 WeakPolarHBondContact CG2-OD2 3.41Å; T279-D299 VanDerWaalsContact C-OD1 3.22Å; S280-D299 PolarHBondContact OG-OD1 2.9Å; D299-N301 PolarHBondContact O-N 3.38Å; D299-N301 VanDerWaalsContact O-N 3.08Å; D299-N301 WeakPolarHBondContact OD2-CB 3.34Å; D299-N301 PolarHBondContact OD2-ND2 3.04Å; D299-W302 PolarHBondContact O-N 2.98Å; D299-V303 HydrophobicContact CB-CB 4.41Å; D299-V303 PolarHBondContact N-O 2.86Å
300S93Very high93.1Very high56 Ų5649.7 Ų49.739%0.39226%0.263SS..THydrogen-bonded Turntrans-59.8-19177.657.10000113.5T279 W302T279-S300 PolarHBondContact N-OG 3.15Å; T279-S300 PolarHBondContact O-N 2.79Å; S300-W302 PolarHBondContact O-N 3.18Å
301N90.8Very high93.3Very high63 Ų6353.8 Ų53.834%0.33727%0.273SS..THydrogen-bonded Turntrans-78.611.5173.1-67-57.1000114.2D299 V303D299-N301 PolarHBondContact O-N 3.38Å; D299-N301 VanDerWaalsContact O-N 3.08Å; D299-N301 WeakPolarHBondContact OD2-CB 3.34Å; D299-N301 PolarHBondContact OD2-ND2 3.04Å; N301-V303 HydrophobicContact CB-CG2 4.26Å; N301-V303 PolarHBondContact O-N 3.14Å
302W91.9Very high93.3Very high182 Ų18253.7 Ų53.769%0.68927%0.273SS*.THydrogen-bonded Turntrans59.933.8-175.6-61.983.7000113.1D299 S300 H327D299-W302 PolarHBondContact O-N 2.98Å; S300-W302 PolarHBondContact O-N 3.18Å; W302-H327 HydrophobicContact CB-CB 4.17Å; W302-H327 PolarHBondContact O-N 3.09Å
303V93.1Very high92.9Very high31 Ų3157 Ų5719%0.18829%0.294CS..EExtended strand (participates in β ladder)trans-99.6123171.3-175.80000107.7D299 N301 L325 N326D299-V303 HydrophobicContact CB-CB 4.41Å; D299-V303 PolarHBondContact N-O 2.86Å; N301-V303 HydrophobicContact CB-CG2 4.26Å; N301-V303 PolarHBondContact O-N 3.14Å; V303-L325 WeakPolarHBondContact CA-O 3.5Å; V303-N326 HydrophobicContact CG2-CB 4.06Å; V303-N326 WeakPolarHBondContact CG2-ND2 3.3Å
304V94.9Very high92.4Very high47 Ų4761.5 Ų61.529%0.28533%0.325SS..EExtended strand (participates in β ladder)trans-112.6139.9172.7-60.70000108.7T297 V298 F324 L325T297-V304 WeakPolarHBondContact O-CA 3.35Å; V298-V304 HydrophobicContact CG1-CG1 4.2Å; V298-V304 HydrophobicContact CG2-CG1 4.13Å; V304-F324 CarbonylContact O-C 3.55Å; V304-F324 WeakPolarHBondContact O-CA 3.28Å; V304-L325 HydrophobicContact CG2-CB 3.88Å; V304-L325 HydrophobicContact CG2-CD2 4.49Å; V304-L325 PolarHBondContact N-O 2.85Å; V304-L325 PolarHBondContact O-N 3.44Å
305G94.6Very high91.8Very high8 Ų864.6 Ų64.68%0.08234%0.343CS..EExtended strand (participates in β ladder)trans-144.2148-177.900000111.7G296 T297 A323G296-G305 CarbonylContact C-O 3.58Å; G296-G305 WeakPolarHBondContact CA-O 3.23Å; T297-G305 PolarHBondContact N-O 3.26Å; T297-G305 PolarHBondContact O-N 2.91Å; G305-A323 CarbonylContact C-O 3.55Å; G305-A323 VanDerWaalsContact CA-O 3.28Å; G305-A323 WeakPolarHBondContact CA-O 3.47Å
306A95.1Very high91.3Very high30 Ų3066.3 Ų66.325%0.24836%0.359CS..EExtended strand (participates in β ladder)trans-145.5143.9173.500000111F294 K295 G322 A323F294-A306 HydrophobicContact CE2-CB 3.86Å; F294-A306 HydrophobicContact CZ-CB 3.67Å; K295-A306 CarbonylContact O-C 3.56Å; K295-A306 VanDerWaalsContact O-CA 3.22Å; K295-A306 WeakPolarHBondContact O-CA 3.22Å; A306-G322 CarbonylContact O-C 3.57Å; A306-G322 WeakPolarHBondContact O-CA 3.34Å; A306-A323 PolarHBondContact N-O 3.19Å; A306-A323 PolarHBondContact O-N 3.46Å
307T94.6Very high91Very high6 Ų668.5 Ų68.54%0.03737%0.37CS..EExtended strand (participates in β ladder)trans-127.3131.1170.9-55.70000109.5P75 M76 M78 F294 K295 E309 L321P75-T307 VanDerWaalsContact CB-OG1 3.26Å; P75-T307 WeakPolarHBondContact CB-OG1 3.26Å; M76-T307 PolarHBondContact O-OG1 3.11Å; M78-T307 HydrophobicContact SD-CG2 4.3Å; F294-T307 WeakPolarHBondContact CA-O 3.31Å; K295-T307 PolarHBondContact N-O 2.8Å; K295-T307 PolarHBondContact O-N 2.91Å; T307-E309 HydrophobicContact CG2-CG 4.35Å; T307-L321 CarbonylContact C-O 3.58Å; T307-L321 WeakPolarHBondContact CA-O 3.5Å
308L94.1Very high90.8Very high54 Ų5469.3 Ų69.328%0.28337%0.374SS..EExtended strand (participates in β ladder)trans-116.7115.1177.4-174.984.9000108.5L292 F294 A320 L321L292-L308 HydrophobicContact CD1-CD1 3.54Å; L292-L308 HydrophobicContact CD1-CD2 4.13Å; L292-L308 HydrophobicContact CD1-CG 3.75Å; L292-L308 HydrophobicContact CD2-CD1 3.86Å; L292-L308 HydrophobicContact CG-CD1 3.77Å; L292-L308 HydrophobicContact CG-CG 4.48Å; F294-L308 HydrophobicContact CB-CD1 4.19Å; F294-L308 HydrophobicContact CD2-CB 4.34Å; F294-L308 HydrophobicContact CD2-CD1 3.65Å; F294-L308 HydrophobicContact CG-CD1 4.4Å; L308-A320 CarbonylContact O-C 3.52Å; L308-A320 WeakPolarHBondContact O-CA 3.41Å; L308-L321 HydrophobicContact CB-CB 4.4Å; L308-L321 HydrophobicContact CD2-CD1 4.3Å; L308-L321 PolarHBondContact N-O 2.97Å; L308-L321 PolarHBondContact O-N 3.33Å
309E93.3Very high90.6Very high73 Ų7368.5 Ų68.534%0.34137%0.367SS..EExtended strand (participates in β ladder)trans-106.8127.2172.5-62.9-177.8178.700109.6L292 L293 T307 T318 L319 A320L292-E309 CarbonylContact C-O 3.51Å; L292-E309 WeakPolarHBondContact CA-O 3.34Å; L293-E309 HydrophobicContact CB-CB 4.28Å; L293-E309 PolarHBondContact N-O 2.9Å; L293-E309 PolarHBondContact O-N 2.87Å; T307-E309 HydrophobicContact CG2-CG 4.35Å; E309-T318 HydrophobicContact CB-CG2 4.48Å; E309-L319 CarbonylContact C-O 3.56Å; E309-L319 WeakPolarHBondContact CA-O 3.09Å; E309-A320 HydrophobicContact CG-CB 4Å
310K92.6Very high90.6Very high93 Ų9367.7 Ų67.740%0.40436%0.364SS..EExtended strand (participates in β ladder)trans-126.5122.6179.1-173.5167.1-175.1164.50110.3N291 L292 L312 T318 L319N291-K310 WeakPolarHBondContact O-CA 3.43Å; L292-K310 HydrophobicContact CD1-CB 3.78Å; L292-K310 HydrophobicContact CD1-CD 4.12Å; L292-K310 HydrophobicContact CD1-CG 4.04Å; K310-L312 HydrophobicContact CD-CD2 4.31Å; K310-L312 HydrophobicContact CG-CD2 4.3Å; K310-T318 WeakPolarHBondContact O-CA 3.39Å; K310-L319 PolarHBondContact N-O 2.96Å; K310-L319 PolarHBondContact O-N 2.99Å
311K89.7Confident90.7Very high129 Ų12968.6 Ų68.656%0.56136%0.364SS*.EExtended strand (participates in β ladder)trans-87.9125.5172.6-57.8-179.7177.6177.30109.5N291 T318N291-K311 HydrophobicContact CB-CB 4.19Å; N291-K311 PolarHBondContact O-N 2.87Å; K311-T318 HydrophobicContact CG-CG2 4.08Å
312L86.6Confident90.8Very high76 Ų7665.8 Ų65.840%0.39835%0.35SS..  trans-101.876.2-172-67.1169.6000111.5K310 L315 L317 L319K310-L312 HydrophobicContact CD-CD2 4.31Å; K310-L312 HydrophobicContact CG-CD2 4.3Å; L312-L315 CarbonylContact C-O 3.55Å; L312-L315 CarbonylContact O-C 3.58Å; L312-L315 PolarHBondContact O-N 3.09Å; L312-L317 HydrophobicContact CB-CB 4.43Å; L312-L317 PolarHBondContact N-O 3.02Å; L312-L319 HydrophobicContact CD1-CB 4.38Å
313V83.1Confident90.9Very high110 Ų11059 Ų5967%0.66733%0.333SS*.THydrogen-bonded Turntrans-62.2135.7172.4-172.90000109.8
314P81.1Confident90.9Very high127 Ų12758 Ų5883%0.82533%0.326SS*.THydrogen-bonded Turncis-91.8-2.814.435.9-36000116.2
315L83.6Confident90.8Very high113 Ų11358.5 Ų58.559%0.59233%0.327SS*.SBendtrans-84.4145.3179.9-61166.5000109.9L312 L317L312-L315 CarbonylContact C-O 3.55Å; L312-L315 CarbonylContact O-C 3.58Å; L312-L315 PolarHBondContact O-N 3.09Å; L315-L317 HydrophobicContact CB-CD1 3.38Å; L315-L317 HydrophobicContact CD1-CD1 4.2Å; L315-L317 HydrophobicContact CG-CD1 4.31Å; L315-L317 PolarHBondContact O-N 3.1Å
316P84.8Confident90.7Very high76 Ų7659.6 Ų59.649%0.49433%0.331SS..SBendtrans-76.756.2175.633.6-36.4000110.8G341P316-G341 WeakPolarHBondContact CB-O 3.26Å; P316-G341 PolarHBondContact O-N 2.94Å; P316-G341 VanDerWaalsContact O-N 3.13Å
317L89.6Confident90.5Very high48 Ų4862.3 Ų62.325%0.25134%0.338SS..EExtended strand (participates in β ladder)trans-113.8130.8178.7-81.790.6000110.2L312 L315 V338 T339 I340L312-L317 HydrophobicContact CB-CB 4.43Å; L312-L317 PolarHBondContact N-O 3.02Å; L315-L317 HydrophobicContact CB-CD1 3.38Å; L315-L317 HydrophobicContact CD1-CD1 4.2Å; L315-L317 HydrophobicContact CG-CD1 4.31Å; L315-L317 PolarHBondContact O-N 3.1Å; L317-V338 HydrophobicContact CD2-CG1 4.18Å; L317-T339 WeakPolarHBondContact CA-O 3.37Å; L317-I340 HydrophobicContact CD2-CG1 4.4Å; L317-I340 HydrophobicContact CG-CG1 4.21Å
318T91.3Very high90.2Very high33 Ų3371.3 Ų71.320%0.20237%0.371CS..EExtended strand (participates in β ladder)trans-115.8119.1169.7-53.60000108.9E309 K310 K311 T339E309-T318 HydrophobicContact CB-CG2 4.48Å; K310-T318 WeakPolarHBondContact O-CA 3.39Å; K311-T318 HydrophobicContact CG-CG2 4.08Å; T318-T339 PolarHBondContact N-O 2.98Å; T318-T339 PolarHBondContact O-N 3.25Å
319L92.3Very high90.1Very high57 Ų5775.7 Ų75.730%0.29839%0.388SS..EExtended strand (participates in β ladder)trans-93.8123.6173-179.170.4000108.8E309 K310 L312 L321 V338E309-L319 CarbonylContact C-O 3.56Å; E309-L319 WeakPolarHBondContact CA-O 3.09Å; K310-L319 PolarHBondContact N-O 2.96Å; K310-L319 PolarHBondContact O-N 2.99Å; L312-L319 HydrophobicContact CD1-CB 4.38Å; L319-L321 HydrophobicContact CD1-CD2 4.48Å; L319-L321 HydrophobicContact CD2-CD1 4.47Å; L319-L321 HydrophobicContact CD2-CG 4.42Å; L319-L321 HydrophobicContact CG-CD2 4.42Å; L319-L321 HydrophobicContact CG-CG 4.38Å; L319-V338 HydrophobicContact CD1-CG2 3.96Å
320A93.4Very high89.9Confident9 Ų978.9 Ų78.97%0.07441%0.408CS..EExtended strand (participates in β ladder)trans-110132.1172.300000109.3M78 L308 E309 F336 G337M78-A320 HydrophobicContact CE-CB 4.07Å; M78-A320 HydrophobicContact SD-CB 4.01Å; L308-A320 CarbonylContact O-C 3.52Å; L308-A320 WeakPolarHBondContact O-CA 3.41Å; E309-A320 HydrophobicContact CG-CB 4Å; A320-F336 CarbonylContact O-C 3.52Å; A320-F336 VanDerWaalsContact O-CA 3.25Å; A320-F336 WeakPolarHBondContact O-CA 3.36Å; A320-G337 PolarHBondContact N-O 3.23Å; A320-G337 PolarHBondContact O-N 2.9Å
321L93.6Very high89.8Confident76 Ų7681 Ų8140%0.39842%0.417SS..EExtended strand (participates in β ladder)trans-122.7124.8174.1-60.8174.3000107.9T307 L308 L319 F336T307-L321 CarbonylContact C-O 3.58Å; T307-L321 WeakPolarHBondContact CA-O 3.5Å; L308-L321 HydrophobicContact CB-CB 4.4Å; L308-L321 HydrophobicContact CD2-CD1 4.3Å; L308-L321 PolarHBondContact N-O 2.97Å; L308-L321 PolarHBondContact O-N 3.33Å; L319-L321 HydrophobicContact CD1-CD2 4.48Å; L319-L321 HydrophobicContact CD2-CD1 4.47Å; L319-L321 HydrophobicContact CD2-CG 4.42Å; L319-L321 HydrophobicContact CG-CD2 4.42Å; L319-L321 HydrophobicContact CG-CG 4.38Å; L321-F336 HydrophobicContact CD2-CB 3.56Å
322G94Very high89.8Confident4 Ų480.7 Ų80.74%0.04142%0.416CS..EExtended strand (participates in β ladder)trans-121.3137.6177.900000111.1A306 C334 G335A306-G322 CarbonylContact O-C 3.57Å; A306-G322 WeakPolarHBondContact O-CA 3.34Å; G322-C334 VanDerWaalsContact O-CA 3.28Å; G322-C334 WeakPolarHBondContact O-CA 3.26Å; G322-G335 PolarHBondContact N-O 3.29Å; G322-G335 PolarHBondContact O-N 3.45Å
323A93.5Very high89.9Confident39 Ų3980.4 Ų80.432%0.32241%0.412SS..EExtended strand (participates in β ladder)trans-141.8131.8174.500000110.3G305 A306 F332 Q333G305-A323 CarbonylContact C-O 3.55Å; G305-A323 VanDerWaalsContact CA-O 3.28Å; G305-A323 WeakPolarHBondContact CA-O 3.47Å; A306-A323 PolarHBondContact N-O 3.19Å; A306-A323 PolarHBondContact O-N 3.46Å; A323-F332 HydrophobicContact CB-CE2 4.06Å; A323-F332 HydrophobicContact CB-CZ 4.16Å; A323-Q333 CarbonylContact C-O 3.6Å; A323-Q333 WeakPolarHBondContact CA-O 3.12Å
324F92.9Very high90.3Very high11 Ų1178.5 Ų78.55%0.04840%0.403CS..EExtended strand (participates in β ladder)trans-130.3131.9178.3-74.3-99.7000109.4P75 Q77 T297 V304 F332 Q333P75-F324 HydrophobicContact CB-CZ 4.05Å; P75-F324 HydrophobicContact CG-CE1 4.4Å; P75-F324 HydrophobicContact CG-CZ 3.96Å; Q77-F324 VanDerWaalsContact CA-CE2 3.45Å; Q77-F324 HydrophobicContact CB-CD2 4.35Å; Q77-F324 HydrophobicContact CB-CE2 4.1Å; Q77-F324 HydrophobicContact CB-CZ 4.24Å; Q77-F324 HydrophobicContact CG-CD1 3.7Å; Q77-F324 HydrophobicContact CG-CD2 3.85Å; Q77-F324 HydrophobicContact CG-CE1 3.44Å; Q77-F324 VanDerWaalsContact CG-CE1 3.44Å; Q77-F324 HydrophobicContact CG-CE2 3.65Å; Q77-F324 HydrophobicContact CG-CG 3.89Å; Q77-F324 HydrophobicContact CG-CZ 3.42Å; Q77-F324 VanDerWaalsContact CG-CZ 3.42Å; T297-F324 HydrophobicContact CG2-CE1 3.94Å; V304-F324 CarbonylContact O-C 3.55Å; V304-F324 WeakPolarHBondContact O-CA 3.28Å; F324-F332 WeakPolarHBondContact O-CA 3.26Å; F324-F332 WeakPolarHBondContact O-CD2 3.26Å; F324-Q333 PolarHBondContact N-O 2.88Å; F324-Q333 PolarHBondContact O-N 3.24Å
325L92.8Very high90.8Very high56 Ų5672.8 Ų72.829%0.29337%0.367SS..EExtended strand (participates in β ladder)trans-127.6120.9-179.2-178.666.5000108.9V303 V304 H327 F332V303-L325 WeakPolarHBondContact CA-O 3.5Å; V304-L325 HydrophobicContact CG2-CB 3.88Å; V304-L325 HydrophobicContact CG2-CD2 4.49Å; V304-L325 PolarHBondContact N-O 2.85Å; V304-L325 PolarHBondContact O-N 3.44Å; L325-H327 WeakPolarHBondContact CD2-CE1 3.42Å; L325-F332 HydrophobicContact CB-CD2 4.22Å; L325-F332 HydrophobicContact CD1-CB 3.96Å; L325-F332 HydrophobicContact CD1-CD2 3.99Å; L325-F332 HydrophobicContact CD1-CG 4.47Å
326N92.4Very high91.2Very high31 Ų3172.1 Ų72.117%0.16636%0.36CS..EExtended strand (participates in β ladder)trans-97.3106.9170-174-45.4000108.8V303 R328 K329 N330 K331V303-N326 HydrophobicContact CG2-CB 4.06Å; V303-N326 WeakPolarHBondContact CG2-ND2 3.3Å; N326-R328 PolarHBondContact OD1-N 2.68Å; N326-K329 PolarHBondContact OD1-N 3.26Å; N326-N330 VanDerWaalsContact O-CA 3.26Å; N326-N330 WeakPolarHBondContact O-CA 3.45Å; N326-N330 PolarHBondContact O-N 2.94Å; N326-K331 HydrophobicContact CB-CB 4.5Å; N326-K331 PolarHBondContact N-O 3.23Å; N326-K331 PolarHBondContact O-N 3.36Å
327H90.6Very high91.6Very high88 Ų8868.6 Ų68.641%0.40734%0.337SS..THydrogen-bonded Turntrans-70-31.3-178.9-71.4-79000113W302 L325 N330W302-H327 HydrophobicContact CB-CB 4.17Å; W302-H327 PolarHBondContact O-N 3.09Å; L325-H327 WeakPolarHBondContact CD2-CE1 3.42Å; H327-N330 PolarHBondContact O-OD1 3.03Å
328R89.3Confident91.8Very high194 Ų19468 Ų6873%0.73234%0.335SS*.THydrogen-bonded Turntrans-70.7-37.8-179.1-171.9175.6179.9-176.51112.3N326N326-R328 PolarHBondContact OD1-N 2.68Å
329K90.8Very high91.8Very high146 Ų14668.7 Ų68.764%0.63534%0.34SS*.THydrogen-bonded Turntrans-100.4-3.4-178.6-64-178.9180174.80113.2N326 K331N326-K329 PolarHBondContact OD1-N 3.26Å; K329-K331 HydrophobicContact CB-CD 4.5Å; K329-K331 HydrophobicContact CB-CG 4.17Å; K329-K331 PolarHBondContact O-N 3.44Å
330N90.4Very high91.7Very high140 Ų14068.8 Ų68.875%0.74934%0.34SS*.THydrogen-bonded Turntrans48.342.7-172-66.5-43.6000112.8N326 H327N326-N330 VanDerWaalsContact O-CA 3.26Å; N326-N330 WeakPolarHBondContact O-CA 3.45Å; N326-N330 PolarHBondContact O-N 2.94Å; H327-N330 PolarHBondContact O-OD1 3.03Å
331K89.6Confident90.8Very high137 Ų13772.6 Ų72.660%0.59638%0.38SS*.EExtended strand (participates in β ladder)trans-106.9124.9177.3-70.8-169.4176-1700109.5N326 K329N326-K331 HydrophobicContact CB-CB 4.5Å; N326-K331 PolarHBondContact N-O 3.23Å; N326-K331 PolarHBondContact O-N 3.36Å; K329-K331 HydrophobicContact CB-CD 4.5Å; K329-K331 HydrophobicContact CB-CG 4.17Å; K329-K331 PolarHBondContact O-N 3.44Å
332F89.4Confident90.7Very high123 Ų12372.4 Ų72.454%0.53938%0.379SS..EExtended strand (participates in β ladder)trans-110135.1174.4179-105000109.5A323 F324 L325 C334A323-F332 HydrophobicContact CB-CE2 4.06Å; A323-F332 HydrophobicContact CB-CZ 4.16Å; F324-F332 WeakPolarHBondContact O-CA 3.26Å; F324-F332 WeakPolarHBondContact O-CD2 3.26Å; L325-F332 HydrophobicContact CB-CD2 4.22Å; L325-F332 HydrophobicContact CD1-CB 3.96Å; L325-F332 HydrophobicContact CD1-CD2 3.99Å; L325-F332 HydrophobicContact CD1-CG 4.47Å; F332-C334 HydrophobicContact CE1-CB 3.6Å; F332-C334 HydrophobicContact CZ-CB 3.7Å
333Q89.4Confident90.5Very high71 Ų7176 Ų7633%0.33240%0.397SS..EExtended strand (participates in β ladder)trans-130.5130.6175.3-69.5176.7-13.600107.8A323 F324A323-Q333 CarbonylContact C-O 3.6Å; A323-Q333 WeakPolarHBondContact CA-O 3.12Å; F324-Q333 PolarHBondContact N-O 2.88Å; F324-Q333 PolarHBondContact O-N 3.24Å
334C92.1Very high90.3Very high70 Ų7078.1 Ų78.147%0.47340%0.401SS..EExtended strand (participates in β ladder)trans-134.1156.4172.965.30000110.6M78 G80 G322 F332M78-C334 CarbonylContact O-C 3.55Å; G80-C334 PolarHBondContact N-O 3.48Å; G322-C334 VanDerWaalsContact O-CA 3.28Å; G322-C334 WeakPolarHBondContact O-CA 3.26Å; F332-C334 HydrophobicContact CE1-CB 3.6Å; F332-C334 HydrophobicContact CZ-CB 3.7Å
335G91.2Very high90.2Very high7 Ų782 Ų827%0.07242%0.422CS..EExtended strand (participates in β ladder)trans-153.9157.6173.800000110.6M78 G80 G322M78-G335 PolarHBondContact O-N 3.31Å; G80-G335 CarbonylContact O-C 3.58Å; G80-G335 WeakPolarHBondContact O-CA 3.45Å; G322-G335 PolarHBondContact N-O 3.29Å; G322-G335 PolarHBondContact O-N 3.45Å
336F93Very high90Very high98 Ų9883.6 Ų83.643%0.4343%0.43SS..EExtended strand (participates in β ladder)trans-130.6142169.763.3-87.7000109.8G80 V81 R82 A320 L321G80-F336 PolarHBondContact O-N 3.47Å; V81-F336 WeakPolarHBondContact CA-O 3.14Å; V81-F336 HydrophobicContact CB-CE2 4.23Å; V81-F336 HydrophobicContact CB-CZ 4.11Å; V81-F336 HydrophobicContact CG1-CD2 4.03Å; V81-F336 HydrophobicContact CG1-CE2 3.46Å; V81-F336 VanDerWaalsContact CG1-CE2 3.46Å; V81-F336 HydrophobicContact CG1-CZ 3.78Å; V81-F336 HydrophobicContact CG2-CD1 4.2Å; V81-F336 HydrophobicContact CG2-CE1 3.46Å; V81-F336 VanDerWaalsContact CG2-CE1 3.46Å; V81-F336 HydrophobicContact CG2-CE2 3.87Å; V81-F336 HydrophobicContact CG2-CZ 3.26Å; R82-F336 PolarHBondContact N-O 2.83Å; A320-F336 CarbonylContact O-C 3.52Å; A320-F336 VanDerWaalsContact O-CA 3.25Å; A320-F336 WeakPolarHBondContact O-CA 3.36Å; L321-F336 HydrophobicContact CD2-CB 3.56Å
337G92.2Very high89.8Confident2 Ų287.1 Ų87.12%0.02145%0.447CS..EExtended strand (participates in β ladder)trans-120.6141.6176.800000110.7R82 A320R82-G337 CarbonylContact O-C 3.54Å; R82-G337 WeakPolarHBondContact O-CA 3.43Å; A320-G337 PolarHBondContact N-O 3.23Å; A320-G337 PolarHBondContact O-N 2.9Å
338V93.1Very high89.8Confident35 Ų3587.1 Ų87.121%0.21245%0.45CS..EExtended strand (participates in β ladder)trans-118.9122.6168.5-178.10000106.9R82 L83 V84 L317 L319 I340R82-V338 PolarHBondContact O-N 3.17Å; L83-V338 CarbonylContact C-O 3.59Å; L83-V338 WeakPolarHBondContact CA-O 3.18Å; L83-V338 HydrophobicContact CD1-CB 3.91Å; L83-V338 HydrophobicContact CD1-CG1 4.13Å; V84-V338 PolarHBondContact N-O 2.7Å; L317-V338 HydrophobicContact CD2-CG1 4.18Å; L319-V338 HydrophobicContact CD1-CG2 3.96Å; V338-I340 HydrophobicContact CG1-CG1 4.12Å
339T91.5Very high89.8Confident48 Ų4878.8 Ų78.829%0.29443%0.429SS..EExtended strand (participates in β ladder)trans-110.5124.6172.7-56.10000108.7V84 L317 T318V84-T339 HydrophobicContact CB-CG2 4.16Å; V84-T339 HydrophobicContact CG1-CG2 4.31Å; V84-T339 CarbonylContact O-C 3.58Å; V84-T339 VanDerWaalsContact O-CA 3.31Å; V84-T339 WeakPolarHBondContact O-CA 3.08Å; L317-T339 WeakPolarHBondContact CA-O 3.37Å; T318-T339 PolarHBondContact N-O 2.98Å; T318-T339 PolarHBondContact O-N 3.25Å
340I90.9Very high89.8Confident59 Ų5973.3 Ų73.330%0.30341%0.411SS..EExtended strand (participates in β ladder)trans-113.4125.4177.6-53177.6000106.8L83 V84 V85 N86 L317 V338L83-I340 HydrophobicContact CD1-CD1 4.06Å; L83-I340 HydrophobicContact CD1-CG1 4.38Å; V84-I340 PolarHBondContact O-N 2.89Å; V85-I340 CarbonylContact C-O 3.58Å; V85-I340 WeakPolarHBondContact CA-O 3.31Å; V85-I340 HydrophobicContact CG1-CB 4.45Å; V85-I340 HydrophobicContact CG2-CB 4.44Å; V85-I340 HydrophobicContact CG2-CD1 4.25Å; N86-I340 PolarHBondContact N-O 2.89Å; L317-I340 HydrophobicContact CD2-CG1 4.4Å; L317-I340 HydrophobicContact CG-CG1 4.21Å; V338-I340 HydrophobicContact CG1-CG1 4.12Å
341G74.3Confident89.7Confident89 Ų8967.2 Ų67.292%0.91838%0.381SS*.  trans169.60178.500000114.1N86 P316N86-G341 WeakPolarHBondContact O-CA 3.46Å; P316-G341 WeakPolarHBondContact CB-O 3.26Å; P316-G341 PolarHBondContact O-N 2.94Å; P316-G341 VanDerWaalsContact O-N 3.13Å

Retrieved 341 of 341 residues in 293.2 ms (Link to these results)