A0A077Z1F9_TRITR Loading...

Mitochondrial import receptor subunit tom40

AlphaFold DB , UniProt , Accession A0A077Z1F9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 313 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
1M37.2Very low29.9Very low233 Ų233152.1 Ų152.1100%1.14887%0.868SS**  0102.10-73.1169.2-171.100107.5H3M1-H3 PolarHBondContact O-N 3.26Å
2T33.1Very low29.8Very low149 Ų149147.5 Ų147.591%0.91486%0.862SS**  trans-74.9104.9-175.4200000110.1
3H28.3Very low29.5Very low190 Ų190150.5 Ų150.588%0.8886%0.859SS**  trans-74.3119.8163.1-84.1-89.5000108.8M1M1-H3 PolarHBondContact O-N 3.26Å
4C29.6Very low29Very low132 Ų132153.3 Ų153.389%0.89286%0.857SS**  trans-126.9105.7164.8-128.40000107.7
5S32.6Very low28.9Very low119 Ų119149.5 Ų149.583%0.83284%0.841SS**  trans-72.6129.9-178.845.10000110.8G7S5-G7 PolarHBondContact O-N 3.27Å
6A32.3Very low28.7Very low105 Ų105146.1 Ų146.187%0.86883%0.83SS**  trans-69.8109.6173.900000110F8A6-F8 PolarHBondContact O-N 3.23Å
7G28.8Very low28.5Very low75 Ų75146.1 Ų146.177%0.77383%0.834SS**  trans-73.1107.1174.800000111.5S5 R9S5-G7 PolarHBondContact O-N 3.27Å; G7-R9 PolarHBondContact O-N 3.17Å; G7-R9 VanDerWaalsContact O-N 3.17Å
8F27.9Very low28.3Very low193 Ų193143 Ų14385%0.84682%0.819SS**  trans-74.896.6171.3-159-98.4000109.1A6 T10A6-F8 PolarHBondContact O-N 3.23Å; F8-T10 HydrophobicContact CD1-CG2 4.18Å; F8-T10 HydrophobicContact CE1-CG2 4.05Å; F8-T10 PolarHBondContact O-N 3.34Å
9R25.8Very low28.2Very low244 Ų244141.8 Ų141.892%0.92181%0.81SS**  trans-81.199.7172.7-90.7-177.5171.4-179.1-1.5109.5G7G7-R9 PolarHBondContact O-N 3.17Å; G7-R9 VanDerWaalsContact O-N 3.17Å
10T26.3Very low28.3Very low109 Ų109141.3 Ų141.367%0.66981%0.812SS**  trans-68.2130.3162.228.90000109.6F8 A12F8-T10 HydrophobicContact CD1-CG2 4.18Å; F8-T10 HydrophobicContact CE1-CG2 4.05Å; F8-T10 PolarHBondContact O-N 3.34Å; T10-A12 PolarHBondContact O-N 3.11Å
11P27.1Very low28.4Very low124 Ų124139.4 Ų139.481%0.80581%0.807SS**  trans-70130.9-177.925.9-31.4000110.8F13P11-F13 PolarHBondContact O-N 3.46Å; P11-F13 VanDerWaalsContact O-N 3.11Å
12A28.8Very low28Very low97 Ų97131.7 Ų131.780%0.80278%0.776SS**  trans-62110.217700000110.3T10 K14T10-A12 PolarHBondContact O-N 3.11Å; A12-K14 PolarHBondContact O-N 2.99Å
13F25.5Very low28.2Very low186 Ų186126.3 Ų126.382%0.81675%0.746SS**  trans-62.3100.3168.1-173.7-96.2000108.2P11 P15P11-F13 PolarHBondContact O-N 3.46Å; P11-F13 VanDerWaalsContact O-N 3.11Å; F13-P15 HydrophobicContact CE1-CB 4.42Å; F13-P15 VanDerWaalsContact O-CD 3.3Å; F13-P15 WeakPolarHBondContact O-CD 3.3Å
14K22.6Very low29.1Very low190 Ų190122.2 Ų122.283%0.82674%0.737SS**  trans-74.3112.5166.1-90.6-178.1174.41790106.9A12 S16A12-K14 PolarHBondContact O-N 2.99Å; K14-S16 PolarHBondContact O-N 3.12Å; K14-S16 VanDerWaalsContact O-N 3.12Å
15P28.2Very low30.6Very low96 Ų96122.4 Ų122.462%0.62373%0.725SS**  trans-66.1117.2170.90.713.7000106.9F13 T17F13-P15 HydrophobicContact CE1-CB 4.42Å; F13-P15 VanDerWaalsContact O-CD 3.3Å; F13-P15 WeakPolarHBondContact O-CD 3.3Å; P15-T17 PolarHBondContact O-N 2.83Å; P15-T17 VanDerWaalsContact O-N 3.13Å
16S25.9Very low32.6Very low96 Ų96120.4 Ų120.467%0.67170%0.704SS**  trans-57.5116.8168.449.60000108.1K14 T18K14-S16 PolarHBondContact O-N 3.12Å; K14-S16 VanDerWaalsContact O-N 3.12Å; S16-T18 PolarHBondContact O-N 3.13Å; S16-T18 PolarHBondContact O-OG1 3.41Å
17T25Very low35.1Very low145 Ų145117.2 Ų117.289%0.8967%0.67SS**  trans-7265.7169.950.40000108.9P15P15-T17 PolarHBondContact O-N 2.83Å; P15-T17 VanDerWaalsContact O-N 3.13Å
18T24.3Very low37.8Very low91 Ų91118.6 Ų118.656%0.55867%0.666SS**  trans-86.5105.6161.3260000105.8S16 S22S16-T18 PolarHBondContact O-N 3.13Å; S16-T18 PolarHBondContact O-OG1 3.41Å; T18-S22 WeakPolarHBondContact CB-OG 3.35Å
19D26.6Very low40.8Very low121 Ų121114.1 Ų114.165%0.64765%0.65SS**  trans-44.9135.2166.7-84-36000108.1S21 S22D19-S21 PolarHBondContact O-N 2.7Å; D19-S22 WeakPolarHBondContact O-CB 3.39Å; D19-S22 PolarHBondContact O-N 3.01Å; D19-S22 PolarHBondContact O-OG 3.2Å
20P30.1Very low44.1Very low131 Ų131103.5 Ų103.585%0.85161%0.611SS**THydrogen-bonded Turntrans-60.7-4.8179.221.4-30.6000113.5S22P20-S22 VanDerWaalsContact C-N 3.35Å
21S31.3Very low47.3Very low101 Ų10198.5 Ų98.571%0.70658%0.581SS**THydrogen-bonded Turntrans-80.4-6.8168.365.70000114.8D19 A23D19-S21 PolarHBondContact O-N 2.7Å; S21-A23 VanDerWaalsContact C-N 3.31Å; S21-A23 PolarHBondContact O-N 3.12Å
22S28.9Very low50.6Low71 Ų7193.5 Ų93.550%0.49755%0.552SS.*  trans-86.86.8-177.261.30000114.7T18 D19 P20T18-S22 WeakPolarHBondContact CB-OG 3.35Å; D19-S22 WeakPolarHBondContact O-CB 3.39Å; D19-S22 PolarHBondContact O-N 3.01Å; D19-S22 PolarHBondContact O-OG 3.2Å; P20-S22 VanDerWaalsContact C-N 3.35Å
23A35.5Very low53.7Low36 Ų3689.4 Ų89.430%0.29852%0.516SS..SBendtrans-77.4134.9173.600000109.5S21 Q25S21-A23 VanDerWaalsContact C-N 3.31Å; S21-A23 PolarHBondContact O-N 3.12Å; A23-Q25 PolarHBondContact O-N 3.46Å
24P47.2Very low57.1Low105 Ų10580.7 Ų80.768%0.68248%0.478SS*.  trans-62.6112.9-171.122.4-31.6000110.4I26P24-I26 PolarHBondContact O-N 2.68Å
25Q62Low60.4Low136 Ų13677 Ų7764%0.63646%0.464SS*.  trans-65.9130.5169.8-65.4-156.7-8.900108.8A23 F27A23-Q25 PolarHBondContact O-N 3.46Å; Q25-F27 PolarHBondContact O-N 2.84Å; Q25-F27 VanDerWaalsContact O-N 3.11Å
26I73.6Confident63.6Low77 Ų7775.1 Ų75.140%0.39545%0.448SS..SBendtrans-54-35.1179.8-58.3174.4000110.7P24P24-I26 PolarHBondContact O-N 2.68Å
27F85.3Confident67Low37 Ų3770.7 Ų70.716%0.16242%0.417CS..  trans-131.487.7178.3-58.2-50.6000110.9Q25 L29 N30 R120 R144 P146Q25-F27 PolarHBondContact O-N 2.84Å; Q25-F27 VanDerWaalsContact O-N 3.11Å; F27-L29 PolarHBondContact O-N 3.37Å; F27-N30 HydrophobicContact CB-CB 3.65Å; F27-N30 VanDerWaalsContact O-CB 3.26Å; F27-N30 WeakPolarHBondContact O-CB 3.33Å; F27-N30 PolarHBondContact O-N 2.86Å; F27-R120 HydrophobicContact CE2-CG 4.08Å; F27-R120 HydrophobicContact CZ-CG 3.97Å; F27-R144 HydrophobicContact CD2-CB 4.36Å; F27-R144 WeakPolarHBondContact CE2-O 3.21Å; F27-P146 HydrophobicContact CD1-CB 4.24Å; F27-P146 HydrophobicContact CD1-CG 3.71Å; F27-P146 HydrophobicContact CE1-CG 3.86Å
28P85.1Confident70.4Confident105 Ų10564.5 Ų64.568%0.68238%0.378SS*.THydrogen-bonded Turntrans-65-24.1-175.226.2-35.1000113.5
29L91.4Very high73.9Confident99 Ų9964.9 Ų64.952%0.51837%0.372SS..THydrogen-bonded Turntrans-91.41177.8-66.2173.1000113.7F27 P146 L147 R173F27-L29 PolarHBondContact O-N 3.37Å; L29-P146 CarbonylContact C-O 3.55Å; L29-L147 HydrophobicContact CB-CD2 4.14Å; L29-L147 HydrophobicContact CD1-CD2 4.48Å; L29-R173 PolarHBondContact O-NE 3.18Å; L29-R173 PolarHBondContact O-NH1 2.87Å
30N94.5Very high77.1Confident20 Ų2063.8 Ų63.811%0.10736%0.362CS..  trans-70.7138.2179.6178.7-83.5000110F27 G32 T145 P146 F148 T149F27-N30 HydrophobicContact CB-CB 3.65Å; F27-N30 VanDerWaalsContact O-CB 3.26Å; F27-N30 WeakPolarHBondContact O-CB 3.33Å; F27-N30 PolarHBondContact O-N 2.86Å; N30-G32 VanDerWaalsContact C-N 3.29Å; N30-G32 PolarHBondContact O-N 2.97Å; N30-G32 VanDerWaalsContact OD1-CA 3.31Å; N30-G32 WeakPolarHBondContact OD1-CA 3.39Å; N30-G32 PolarHBondContact OD1-N 3.03Å; N30-T145 WeakPolarHBondContact CB-O 3.29Å; N30-T145 PolarHBondContact ND2-O 2.74Å; N30-P146 PolarHBondContact N-O 2.77Å; N30-F148 PolarHBondContact ND2-O 3.13Å; N30-F148 VanDerWaalsContact ND2-O 3.1Å; N30-T149 PolarHBondContact ND2-OG1 3.04Å; N30-T149 PolarHBondContact OD1-OG1 3.43Å
31P95.1Very high80.3Confident5 Ų557.6 Ų57.63%0.03232%0.322CS..  trans-79-5.5-178.633.1-37.8000114.3L171 D179 R205P31-L171 HydrophobicContact CB-CD2 3.79Å; P31-L171 HydrophobicContact CB-CG 3.89Å; P31-L171 HydrophobicContact CG-CB 4.4Å; P31-L171 HydrophobicContact CG-CD2 4.22Å; P31-L171 HydrophobicContact CG-CG 3.95Å; P31-L171 WeakPolarHBondContact CG-O 3.29Å; P31-D179 HydrophobicContact CB-CB 4.04Å; P31-R205 PolarHBondContact O-NH2 3.26Å
32G95Very high83.4Confident18 Ų1859.3 Ų59.319%0.18632%0.316CS..  trans77.8-160.5-172.300000112.2N30 T149N30-G32 VanDerWaalsContact C-N 3.29Å; N30-G32 PolarHBondContact O-N 2.97Å; N30-G32 VanDerWaalsContact OD1-CA 3.31Å; N30-G32 WeakPolarHBondContact OD1-CA 3.39Å; N30-G32 PolarHBondContact OD1-N 3.03Å; G32-T149 WeakPolarHBondContact O-CB 3.34Å; G32-T149 PolarHBondContact O-OG1 3.06Å
33L95.7Very high86.6Confident12 Ų1260 Ų606%0.06331%0.314CS..  trans-87.7155.7178.3-65.7165.1000110.9E35 D36 E142 T149L33-E35 PolarHBondContact O-N 3.01Å; L33-D36 PolarHBondContact O-N 3.37Å; L33-E142 HydrophobicContact CD2-CB 4.38Å; L33-E142 HydrophobicContact CD2-CG 3.91Å; L33-T149 HydrophobicContact CD2-CG2 3.61Å; L33-T149 HydrophobicContact CG-CG2 4.4Å
34I96Very high89.6Confident2 Ų258.3 Ų58.31%0.0130%0.3CS..G310 helixtrans-62.4-33.7173.6-153.7163.3000111.5D36 I37 E183 A203I34-D36 PolarHBondContact O-N 3.2Å; I34-I37 WeakPolarHBondContact O-CB 3.2Å; I34-I37 WeakPolarHBondContact O-CG2 3.36Å; I34-I37 PolarHBondContact O-N 2.91Å; I34-E183 HydrophobicContact CD1-CB 3.86Å; I34-E183 HydrophobicContact CG2-CB 4.5Å; I34-A203 HydrophobicContact CD1-CB 3.43Å; I34-A203 VanDerWaalsContact CD1-CB 3.43Å; I34-A203 HydrophobicContact CG1-CB 3.61Å
35E92.9Very high92Very high114 Ų11455 Ų5553%0.53327%0.274SS..G310 helixtrans-62.1-27.2178.9-62.8176-167.700112.3L33 I37L33-E35 PolarHBondContact O-N 3.01Å; E35-I37 VanDerWaalsContact C-N 3.33Å
36D95.4Very high93.7Very high55 Ų5549.3 Ų49.329%0.29425%0.249SC..G310 helixtrans-87.81.7178.9-70.3-47.4000112.8L33 I34 H38 K39L33-D36 PolarHBondContact O-N 3.37Å; I34-D36 PolarHBondContact O-N 3.2Å; D36-H38 VanDerWaalsContact C-N 3.28Å; D36-H38 PolarHBondContact O-N 2.79Å; D36-K39 HydrophobicContact CB-CB 4.33Å; D36-K39 HydrophobicContact CB-CD 4.24Å; D36-K39 WeakPolarHBondContact O-CB 3.1Å; D36-K39 PolarHBondContact O-N 2.78Å; D36-K39 WeakPolarHBondContact OD1-CD 3.38Å; D36-K39 IonicContact OD1-NZ 3.49Å; D36-K39 PolarHBondContact OD1-NZ 2.8Å
37I96.7Very high94.6Very high4 Ų451 Ų512%0.02126%0.264CS..THydrogen-bonded Turntrans-63.2-33.4-170.8-157.1176.6000113.1I34 E35 L171 A203 R205 S213 N215I34-I37 WeakPolarHBondContact O-CB 3.2Å; I34-I37 WeakPolarHBondContact O-CG2 3.36Å; I34-I37 PolarHBondContact O-N 2.91Å; E35-I37 VanDerWaalsContact C-N 3.33Å; I37-L171 HydrophobicContact CD1-CD1 4.49Å; I37-A203 HydrophobicContact CD1-CB 3.61Å; I37-R205 HydrophobicContact CD1-CB 3.93Å; I37-R205 HydrophobicContact CG1-CB 3.74Å; I37-R205 HydrophobicContact CG1-CG 4.39Å; I37-S213 WeakPolarHBondContact O-CB 3.48Å; I37-S213 PolarHBondContact O-OG 2.96Å; I37-N215 VanDerWaalsContact CG2-OD1 3.23Å; I37-N215 WeakPolarHBondContact CG2-OD1 3.4Å
38H97Very high95.1Very high14 Ų1451 Ų517%0.06527%0.267CS..THydrogen-bonded Turntrans-95.1-1.7177.2-62.6-67.5000113.5D36 K40 C41 K42 N215 T224D36-H38 VanDerWaalsContact C-N 3.28Å; D36-H38 PolarHBondContact O-N 2.79Å; H38-K40 VanDerWaalsContact C-N 3.33Å; H38-K40 PolarHBondContact O-N 3.18Å; H38-C41 PolarHBondContact O-N 3.07Å; H38-K42 PolarHBondContact O-N 2.76Å; H38-N215 PolarHBondContact NE2-OD1 3.46Å; H38-T224 HydrophobicContact CB-CG2 4.15Å; H38-T224 WeakPolarHBondContact ND1-CG2 3.28Å; H38-T224 PolarHBondContact ND1-OG1 2.8Å
39K96.2Very high95.5Very high100 Ų10048.1 Ų48.144%0.43524%0.244SC..Hα-helixtrans-55.4-43.8-168.7-178170.3-176.1170.30113.6D36 C41 K42 D43D36-K39 HydrophobicContact CB-CB 4.33Å; D36-K39 HydrophobicContact CB-CD 4.24Å; D36-K39 WeakPolarHBondContact O-CB 3.1Å; D36-K39 PolarHBondContact O-N 2.78Å; D36-K39 WeakPolarHBondContact OD1-CD 3.38Å; D36-K39 IonicContact OD1-NZ 3.49Å; D36-K39 PolarHBondContact OD1-NZ 2.8Å; K39-C41 VanDerWaalsContact C-N 3.28Å; K39-C41 PolarHBondContact O-N 2.89Å; K39-K42 PolarHBondContact O-N 3.5Å; K39-D43 WeakPolarHBondContact CG-OD2 3.5Å; K39-D43 WeakPolarHBondContact O-CB 3.26Å; K39-D43 VanDerWaalsContact O-CG 3.22Å; K39-D43 PolarHBondContact O-N 3.09Å
40K95.4Very high95.5Very high97 Ų9745.7 Ų45.742%0.42223%0.232SC..Hα-helixtrans-55.9-42.3178.2-71.3-174.7177.6176.10112.5H38 F226H38-K40 VanDerWaalsContact C-N 3.33Å; H38-K40 PolarHBondContact O-N 3.18Å; K40-F226 HydrophobicContact CB-CB 4.16Å; K40-F226 HydrophobicContact CB-CD1 3.92Å; K40-F226 HydrophobicContact CB-CD2 4.12Å; K40-F226 HydrophobicContact CB-CE1 4.35Å; K40-F226 HydrophobicContact CB-CG 3.78Å; K40-F226 HydrophobicContact CD-CD1 4.02Å; K40-F226 HydrophobicContact CD-CE1 4.21Å; K40-F226 WeakPolarHBondContact O-CD2 3.5Å; K40-F226 WeakPolarHBondContact O-CE2 3.34Å
41C97.2Very high95.6Very high2 Ų245.8 Ų45.81%0.01424%0.238CC..Hα-helixtrans-71.5-48.5176.9-170.70000110.4H38 K39 D43 V44 Y45 T224 F226 G236 V237H38-C41 PolarHBondContact O-N 3.07Å; K39-C41 VanDerWaalsContact C-N 3.28Å; K39-C41 PolarHBondContact O-N 2.89Å; C41-D43 VanDerWaalsContact C-N 3.28Å; C41-D43 PolarHBondContact O-N 3.17Å; C41-V44 WeakPolarHBondContact O-CB 3.25Å; C41-V44 PolarHBondContact O-N 2.94Å; C41-Y45 WeakPolarHBondContact O-CD2 3.39Å; C41-T224 HydrophobicContact CB-CG2 4.14Å; C41-F226 HydrophobicContact CB-CB 4.25Å; C41-G236 VanDerWaalsContact SG-CA 3.58Å; C41-V237 PolarHBondContact SG-O 2.82Å
42K96.2Very high95.6Very high137 Ų13747.2 Ų47.260%0.59625%0.25SC*.Hα-helixtrans-56.2-39-178.7-170.8179.5179.3-179.40113.2H38 K39 V44 Y45H38-K42 PolarHBondContact O-N 2.76Å; K39-K42 PolarHBondContact O-N 3.5Å; K42-V44 PolarHBondContact O-N 2.86Å; K42-Y45 PolarHBondContact O-N 2.99Å; K42-Y45 VanDerWaalsContact O-N 3.12Å
43D95.9Very high95.6Very high85 Ų8550.4 Ų50.446%0.45526%0.258SS..THydrogen-bonded Turntrans-68.1-14.2-179.3-69.7-14.1000113.6K39 C41 Q255 R266K39-D43 WeakPolarHBondContact CG-OD2 3.5Å; K39-D43 WeakPolarHBondContact O-CB 3.26Å; K39-D43 VanDerWaalsContact O-CG 3.22Å; K39-D43 PolarHBondContact O-N 3.09Å; C41-D43 VanDerWaalsContact C-N 3.28Å; C41-D43 PolarHBondContact O-N 3.17Å; D43-Q255 PolarHBondContact O-OE1 2.78Å; D43-R266 PolarHBondContact O-NE 3.12Å
44V97.5Very high95.6Very high0 Ų052.8 Ų52.80%027%0.271CS..THydrogen-bonded Turntrans-78.2-27.9173.8-175.50000111.5C41 K42 F226 Q234 A253 Q255 R266C41-V44 WeakPolarHBondContact O-CB 3.25Å; C41-V44 PolarHBondContact O-N 2.94Å; K42-V44 PolarHBondContact O-N 2.86Å; V44-F226 HydrophobicContact CG2-CD2 3.71Å; V44-F226 HydrophobicContact CG2-CE2 3.68Å; V44-Q234 HydrophobicContact CG1-CG 4.47Å; V44-Q234 HydrophobicContact CG2-CG 4.07Å; V44-A253 HydrophobicContact CG1-CB 4.07Å; V44-Q255 HydrophobicContact CG1-CB 4.03Å; V44-R266 WeakPolarHBondContact O-CD 3.5Å
45Y97.8Very high95.5Very high36 Ų3654.3 Ų54.314%0.14128%0.279CS..SBendtrans-73.7143.5-174.3-77.2-109.7000111.6C41 K42 E238 S251 A253C41-Y45 WeakPolarHBondContact O-CD2 3.39Å; K42-Y45 PolarHBondContact O-N 2.99Å; K42-Y45 VanDerWaalsContact O-N 3.12Å; Y45-E238 WeakPolarHBondContact OH-CB 3.36Å; Y45-E238 PolarHBondContact OH-N 2.97Å; Y45-S251 VanDerWaalsContact CE1-OG 3.31Å; Y45-S251 WeakPolarHBondContact CE1-OG 3.2Å; Y45-S251 PolarHBondContact OH-O 3.25Å; Y45-S251 PolarHBondContact OH-OG 3.29Å; Y45-A253 HydrophobicContact CD1-CB 3.8Å; Y45-A253 HydrophobicContact CD2-CB 3.61Å; Y45-A253 HydrophobicContact CE1-CB 3.77Å; Y45-A253 HydrophobicContact CE2-CB 3.55Å; Y45-A253 HydrophobicContact CG-CB 3.72Å
46P97.2Very high95.7Very high17 Ų1751.5 Ų51.511%0.1127%0.267CS..  trans-69.5135.117629.4-34.2000111C48 R266 M278P46-C48 PolarHBondContact O-N 3.24Å; P46-R266 HydrophobicContact CB-CB 3.89Å; P46-M278 HydrophobicContact CB-CB 3.69Å
47T94.5Very high95.6Very high113 Ų11351.4 Ų51.469%0.69327%0.267SS*.  trans-96.582.5170.1-550000109.1
48C94.2Very high95.4Very high35 Ų3555.8 Ų55.824%0.23629%0.286CS..  trans-74.5151.9-177.7-62.40000112.6P46 A277 G294 V295P46-C48 PolarHBondContact O-N 3.24Å; C48-A277 PolarHBondContact SG-O 3.11Å; C48-A277 VanDerWaalsContact SG-O 3.42Å; C48-G294 PolarHBondContact SG-O 3.44Å; C48-V295 HydrophobicContact CB-CG2 3.34Å
49F93.3Very high95.2Very high45 Ų4556.6 Ų56.620%0.19730%0.298CS..  trans-135.6170.9170.960.6-84.5000110.1K53 I291 S293 G306F49-K53 HydrophobicContact CD2-CB 4.09Å; F49-K53 HydrophobicContact CE2-CB 3.77Å; F49-K53 HydrophobicContact CZ-CB 4.31Å; F49-I291 HydrophobicContact CE1-CB 4.39Å; F49-I291 HydrophobicContact CE1-CG2 3.74Å; F49-I291 HydrophobicContact CZ-CB 4.44Å; F49-I291 HydrophobicContact CZ-CG2 4.2Å; F49-S293 WeakPolarHBondContact CD1-OG 3.46Å; F49-S293 PolarHBondContact N-OG 3.02Å; F49-S293 VanDerWaalsContact N-OG 3.14Å; F49-S293 PolarHBondContact O-OG 2.91Å; F49-G306 VanDerWaalsContact O-CA 3.32Å; F49-G306 WeakPolarHBondContact O-CA 3.3Å; F49-G306 PolarHBondContact O-N 3.14Å
50D92.8Very high95.1Very high49 Ų4957.2 Ų57.226%0.26231%0.305SS..  trans-121.7137.7-176.5-169.116.6000110.2P74 R304 V305D50-P74 VanDerWaalsContact OD2-CG 3.32Å; D50-P74 WeakPolarHBondContact OD2-CG 3.3Å; D50-R304 HydrophobicContact CB-CB 4.2Å; D50-V305 PolarHBondContact OD1-N 3.02Å
51G94.8Very high95Very high22 Ų2255.6 Ų55.623%0.22731%0.306CS..EExtended strand (participates in β ladder)trans80.9-151.8-175.300000114.2M72 V305 G306 L307G51-M72 CarbonylContact C-O 3.59Å; G51-M72 VanDerWaalsContact CA-O 3.28Å; G51-M72 WeakPolarHBondContact CA-O 3.3Å; G51-V305 PolarHBondContact N-O 3.11Å; G51-G306 CarbonylContact O-C 3.56Å; G51-G306 WeakPolarHBondContact O-CA 3.41Å; G51-L307 PolarHBondContact O-N 2.92Å
52A95.9Very high94.7Very high35 Ų3560.4 Ų60.429%0.28934%0.339SS..EExtended strand (participates in β ladder)trans-101.2139.9-178.300000111.9M72 L307A52-M72 HydrophobicContact CB-CB 4.28Å; A52-M72 HydrophobicContact CB-CE 3.78Å; A52-M72 PolarHBondContact N-O 2.84Å; A52-M72 PolarHBondContact O-N 2.65Å; A52-L307 CarbonylContact C-O 3.59Å; A52-L307 WeakPolarHBondContact CA-O 3.46Å
53K94.8Very high94.6Very high84 Ų8456.8 Ų56.837%0.36533%0.325SS..EExtended strand (participates in β ladder)trans-129.4132.4175.1-169.6177-179.1-1800110.4F49 L70 L307 G308 F309F49-K53 HydrophobicContact CD2-CB 4.09Å; F49-K53 HydrophobicContact CE2-CB 3.77Å; F49-K53 HydrophobicContact CZ-CB 4.31Å; K53-L70 CarbonylContact C-O 3.59Å; K53-L70 WeakPolarHBondContact CA-O 3.42Å; K53-L307 PolarHBondContact N-O 3.08Å; K53-G308 CarbonylContact O-C 3.43Å; K53-G308 WeakPolarHBondContact O-CA 3.42Å; K53-F309 PolarHBondContact O-N 2.82Å
54L95.6Very high94.6Very high62 Ų6256 Ų5633%0.32532%0.317SS..EExtended strand (participates in β ladder)trans-122.4120.7171175.167000108.4I56 T69 L70 F309L54-I56 HydrophobicContact CD1-CG1 4.26Å; L54-I56 HydrophobicContact CD2-CD1 4.2Å; L54-I56 HydrophobicContact CD2-CG1 4.49Å; L54-I56 HydrophobicContact CG-CD1 4.37Å; L54-I56 HydrophobicContact CG-CG1 4.13Å; L54-T69 CarbonylContact O-C 3.57Å; L54-T69 WeakPolarHBondContact O-CA 3.33Å; L54-L70 HydrophobicContact CB-CB 4.24Å; L54-L70 PolarHBondContact N-O 2.84Å; L54-L70 PolarHBondContact O-N 2.84Å; L54-F309 CarbonylContact C-O 3.55Å; L54-F309 WeakPolarHBondContact CA-O 3.44Å; L54-F309 HydrophobicContact CD1-CB 3.87Å
55L95.4Very high94.5Very high35 Ų3560.5 Ų60.518%0.18334%0.338CS..EExtended strand (participates in β ladder)trans-117.2116.8177.5-174.472.5000108.5T67 H68 T69 F309 V310 L311L55-T67 HydrophobicContact CD1-CG2 3.49Å; L55-T67 VanDerWaalsContact CD1-CG2 3.49Å; L55-T67 HydrophobicContact CG-CG2 4.47Å; L55-H68 CarbonylContact C-O 3.54Å; L55-H68 WeakPolarHBondContact CA-O 3.13Å; L55-T69 HydrophobicContact CD1-CG2 4.26Å; L55-T69 WeakPolarHBondContact CD1-OG1 3.33Å; L55-F309 PolarHBondContact N-O 3.25Å; L55-V310 HydrophobicContact CB-CB 4.46Å; L55-V310 HydrophobicContact CB-CG1 4.27Å; L55-V310 HydrophobicContact CB-CG2 4.13Å; L55-V310 HydrophobicContact CD2-CG1 3.92Å; L55-V310 HydrophobicContact CD2-CG2 4.17Å; L55-V310 HydrophobicContact CG-CG1 4.33Å; L55-V310 CarbonylContact O-C 3.51Å; L55-V310 VanDerWaalsContact O-CA 3.28Å; L55-V310 WeakPolarHBondContact O-CA 3.48Å; L55-L311 PolarHBondContact O-N 3.1Å
56I95.3Very high94.5Very high55 Ų5559.3 Ų59.328%0.28234%0.335SS..EExtended strand (participates in β ladder)trans-113.1112.5175.8-52.6172.3000107.4L54 T67 H68 L311L54-I56 HydrophobicContact CD1-CG1 4.26Å; L54-I56 HydrophobicContact CD2-CD1 4.2Å; L54-I56 HydrophobicContact CD2-CG1 4.49Å; L54-I56 HydrophobicContact CG-CD1 4.37Å; L54-I56 HydrophobicContact CG-CG1 4.13Å; I56-T67 CarbonylContact O-C 3.53Å; I56-T67 WeakPolarHBondContact O-CA 3.32Å; I56-H68 HydrophobicContact CB-CB 4.18Å; I56-H68 PolarHBondContact N-O 2.8Å; I56-H68 PolarHBondContact O-N 2.69Å; I56-L311 WeakPolarHBondContact CA-O 3.32Å; I56-L311 HydrophobicContact CG1-CB 4.48Å; I56-L311 HydrophobicContact CG2-CD2 4.4Å
57N93.3Very high94.4Very high53 Ų5360.1 Ų60.128%0.28334%0.339SS..EExtended strand (participates in β ladder)trans-105.1116.2174.7-69-36.4000108.7T67 L311 G313N57-T67 WeakPolarHBondContact OD1-CB 3.27Å; N57-T67 WeakPolarHBondContact OD1-CG2 3.38Å; N57-T67 PolarHBondContact OD1-OG1 2.89Å; N57-L311 PolarHBondContact N-O 2.84Å; N57-G313 PolarHBondContact O-N 2.76Å
58K94Very high94.5Very high96 Ų9657.6 Ų57.642%0.41732%0.32SS..EExtended strand (participates in β ladder)trans-117.5118.8178.7-173.469.2-162.9156.20111.2L60 V66 G313K58-L60 HydrophobicContact CG-CD2 3.88Å; K58-L60 PolarHBondContact O-N 2.82Å; K58-V66 PolarHBondContact N-O 3.08Å; K58-V66 PolarHBondContact O-N 2.83Å; K58-G313 CarbonylContact C-O 3.56Å; K58-G313 VanDerWaalsContact CA-O 3.26Å; K58-G313 WeakPolarHBondContact CA-O 3.42Å; K58-G313 WeakPolarHBondContact CD-O 3.46Å; K58-G313 PolarHBondContact NZ-OXT 3.13Å
59G93.2Very high94.6Very high31 Ų3157.5 Ų57.532%0.3232%0.318SS..EExtended strand (participates in β ladder)trans-75.2119.8165.900000110.6G313G59-G313 PolarHBondContact N-O 2.8Å
60L93.1Very high94.7Very high113 Ų11358.3 Ų58.359%0.59232%0.324SS*.SBendtrans-94.3-28.4174-56.9-172.6000111.8K58 F64 V66K58-L60 HydrophobicContact CG-CD2 3.88Å; K58-L60 PolarHBondContact O-N 2.82Å; L60-F64 HydrophobicContact CB-CD1 4.07Å; L60-F64 HydrophobicContact CD1-CD1 3.81Å; L60-F64 HydrophobicContact CD1-CE1 3.83Å; L60-F64 HydrophobicContact CG-CD1 4.2Å; L60-F64 PolarHBondContact N-O 2.99Å; L60-V66 HydrophobicContact CD1-CG2 3.7Å; L60-V66 HydrophobicContact CG-CG2 4.13Å
61S93.3Very high94.8Very high62 Ų6257.6 Ų57.643%0.43433%0.325SS..SBendtrans-149.6178.317176.10000110.4H63 F64S61-H63 PolarHBondContact O-N 2.81Å; S61-H63 PolarHBondContact OG-N 2.8Å; S61-F64 PolarHBondContact N-O 2.84Å; S61-F64 VanDerWaalsContact N-O 3.12Å; S61-F64 PolarHBondContact O-N 2.73Å; S61-F64 WeakPolarHBondContact OG-CB 3.4Å; S61-F64 PolarHBondContact OG-N 2.8Å
62S90.3Very high94.8Very high103 Ų10361 Ų6172%0.7234%0.336SS*.SBendtrans-61.9-19.7172.754.30000113.6
63H94.1Very high94.5Very high62 Ų6260 Ų6029%0.28733%0.329SS..SBendtrans-111.3-17-176.2-64.1-64.8000112.9S61 Y85 V86S61-H63 PolarHBondContact O-N 2.81Å; S61-H63 PolarHBondContact OG-N 2.8Å; H63-Y85 HydrophobicContact CB-CD2 4.1Å; H63-Y85 HydrophobicContact CB-CE2 3.76Å; H63-Y85 CarbonylContact O-C 3.46Å; H63-Y85 WeakPolarHBondContact O-CA 3.44Å; H63-V86 VanDerWaalsContact CB-O 3.25Å; H63-V86 WeakPolarHBondContact CB-O 3.32Å; H63-V86 PolarHBondContact ND1-O 3.38Å; H63-V86 PolarHBondContact O-N 2.81Å
64F96.4Very high94Very high69 Ų6960.4 Ų60.430%0.30334%0.34SS..EExtended strand (participates in β ladder)trans-127.8123.3-170.5-166-102000111.6L60 S61 V66 A83 M84 Y85L60-F64 HydrophobicContact CB-CD1 4.07Å; L60-F64 HydrophobicContact CD1-CD1 3.81Å; L60-F64 HydrophobicContact CD1-CE1 3.83Å; L60-F64 HydrophobicContact CG-CD1 4.2Å; L60-F64 PolarHBondContact N-O 2.99Å; S61-F64 PolarHBondContact N-O 2.84Å; S61-F64 VanDerWaalsContact N-O 3.12Å; S61-F64 PolarHBondContact O-N 2.73Å; S61-F64 WeakPolarHBondContact OG-CB 3.4Å; S61-F64 PolarHBondContact OG-N 2.8Å; F64-V66 HydrophobicContact CD1-CG2 4.06Å; F64-V66 HydrophobicContact CE1-CG2 3.41Å; F64-V66 VanDerWaalsContact CE1-CG2 3.41Å; F64-V66 HydrophobicContact CZ-CG2 4.13Å; F64-A83 HydrophobicContact CE2-CB 4.22Å; F64-A83 HydrophobicContact CZ-CB 3.94Å; F64-M84 WeakPolarHBondContact CA-O 3.34Å; F64-Y85 HydrophobicContact CD2-CD2 4.34Å
65Q95.7Very high93.3Very high94 Ų9465.4 Ų65.444%0.43936%0.359SS..EExtended strand (participates in β ladder)trans-126.4143.4178.3-60.1-176.30.700109.9A83 M84Q65-A83 WeakPolarHBondContact O-CA 3.33Å; Q65-M84 HydrophobicContact CB-CB 4.38Å; Q65-M84 PolarHBondContact N-O 3.1Å; Q65-M84 PolarHBondContact O-N 3.23Å
66V97Very high92.6Very high10 Ų1067.2 Ų67.26%0.06138%0.379CS..EExtended strand (participates in β ladder)trans-120.8139.5178.5173.70000108.9K58 L60 F64 F81 G82K58-V66 PolarHBondContact N-O 3.08Å; K58-V66 PolarHBondContact O-N 2.83Å; L60-V66 HydrophobicContact CD1-CG2 3.7Å; L60-V66 HydrophobicContact CG-CG2 4.13Å; F64-V66 HydrophobicContact CD1-CG2 4.06Å; F64-V66 HydrophobicContact CE1-CG2 3.41Å; F64-V66 VanDerWaalsContact CE1-CG2 3.41Å; F64-V66 HydrophobicContact CZ-CG2 4.13Å; V66-F81 HydrophobicContact CG1-CD2 4.05Å; V66-F81 HydrophobicContact CG1-CE2 3.21Å; V66-F81 HydrophobicContact CG1-CZ 3.63Å; V66-F81 HydrophobicContact CG2-CZ 4.31Å; V66-G82 CarbonylContact C-O 3.54Å; V66-G82 WeakPolarHBondContact CA-O 3.11Å
67T96.5Very high92.3Very high34 Ų3468.7 Ų68.721%0.20940%0.395CS..EExtended strand (participates in β ladder)trans-125.4124.4-178.8-65.30000109.8L55 I56 N57 G82L55-T67 HydrophobicContact CD1-CG2 3.49Å; L55-T67 VanDerWaalsContact CD1-CG2 3.49Å; L55-T67 HydrophobicContact CG-CG2 4.47Å; I56-T67 CarbonylContact O-C 3.53Å; I56-T67 WeakPolarHBondContact O-CA 3.32Å; N57-T67 WeakPolarHBondContact OD1-CB 3.27Å; N57-T67 WeakPolarHBondContact OD1-CG2 3.38Å; N57-T67 PolarHBondContact OD1-OG1 2.89Å; T67-G82 PolarHBondContact N-O 2.83Å; T67-G82 PolarHBondContact O-N 3.19Å
68H96.7Very high92.4Very high61 Ų6167.6 Ų67.628%0.28240%0.396SS..EExtended strand (participates in β ladder)trans-105.1119.4169.4-59.9-94.4000108.3L55 I56 Y79 F81L55-H68 CarbonylContact C-O 3.54Å; L55-H68 WeakPolarHBondContact CA-O 3.13Å; I56-H68 HydrophobicContact CB-CB 4.18Å; I56-H68 PolarHBondContact N-O 2.8Å; I56-H68 PolarHBondContact O-N 2.69Å; H68-Y79 HydrophobicContact CB-CE2 4.03Å; H68-Y79 PolarHBondContact CE1-OH 2.78Å; H68-Y79 AromaticContact ND1-CE2 3.73Å; H68-Y79 AromaticContact ND1-CZ 3.64Å; H68-Y79 PolarHBondContact ND1-OH 3.21Å; H68-F81 AromaticContact CE1-CD2 3.67Å; H68-F81 AromaticContact CE1-CE2 3.8Å; H68-F81 AromaticContact ND1-CD2 3.93Å
69T95.7Very high92.5Very high32 Ų3266.9 Ų66.920%0.19639%0.392CS..EExtended strand (participates in β ladder)trans-114.9112.9175.4-530000109.2L54 L55 Y79 R80L54-T69 CarbonylContact O-C 3.57Å; L54-T69 WeakPolarHBondContact O-CA 3.33Å; L55-T69 HydrophobicContact CD1-CG2 4.26Å; L55-T69 WeakPolarHBondContact CD1-OG1 3.33Å; T69-Y79 CarbonylContact O-C 3.46Å; T69-Y79 WeakPolarHBondContact O-CA 3.46Å; T69-R80 PolarHBondContact N-O 2.54Å; T69-R80 PolarHBondContact O-N 3.04Å
70L95.8Very high92.6Very high62 Ų6271.7 Ų71.733%0.32540%0.4SS..EExtended strand (participates in β ladder)trans-103.6120.1168-179.870.6000108.2K53 L54 M72K53-L70 CarbonylContact C-O 3.59Å; K53-L70 WeakPolarHBondContact CA-O 3.42Å; L54-L70 HydrophobicContact CB-CB 4.24Å; L54-L70 PolarHBondContact N-O 2.84Å; L54-L70 PolarHBondContact O-N 2.84Å; L70-M72 HydrophobicContact CD2-CE 4.04Å; L70-M72 HydrophobicContact CD2-SD 4.16Å; L70-M72 HydrophobicContact CG-CG 4.28Å
71A94.4Very high92.8Very high34 Ų3469.7 Ų69.728%0.28139%0.387SS..EExtended strand (participates in β ladder)trans-112135.9170.700000108.9S77 G78A71-S77 CarbonylContact O-C 3.55Å; A71-S77 VanDerWaalsContact O-CA 3.24Å; A71-S77 WeakPolarHBondContact O-CA 3.36Å; A71-G78 PolarHBondContact N-O 3.06Å; A71-G78 PolarHBondContact O-N 2.81Å
72M94.5Very high93Very high95 Ų9567.3 Ų67.347%0.46837%0.372SS..EExtended strand (participates in β ladder)trans-132.698.3178.5-66.8177.8-69.500107.5G51 A52 L70 S77G51-M72 CarbonylContact C-O 3.59Å; G51-M72 VanDerWaalsContact CA-O 3.28Å; G51-M72 WeakPolarHBondContact CA-O 3.3Å; A52-M72 HydrophobicContact CB-CB 4.28Å; A52-M72 HydrophobicContact CB-CE 3.78Å; A52-M72 PolarHBondContact N-O 2.84Å; A52-M72 PolarHBondContact O-N 2.65Å; L70-M72 HydrophobicContact CD2-CE 4.04Å; L70-M72 HydrophobicContact CD2-SD 4.16Å; L70-M72 HydrophobicContact CG-CG 4.28Å; M72-S77 WeakPolarHBondContact CA-OG 3.26Å
73G88.9Confident93.3Very high13 Ų1363.6 Ų63.613%0.13435%0.347CS..  trans-143.6164.1-179.700000111.6F75 A76 S77G73-F75 PolarHBondContact O-N 2.8Å; G73-A76 PolarHBondContact N-O 2.99Å; G73-S77 PolarHBondContact N-OG 3.31Å; G73-S77 PolarHBondContact O-OG 2.89Å
74P84.2Confident93.5Very high93 Ų9363.7 Ų63.760%0.60435%0.349SS*.SBendtrans-62.2-29.5-175.422.4-31.8000113.4D50D50-P74 VanDerWaalsContact OD2-CG 3.32Å; D50-P74 WeakPolarHBondContact OD2-CG 3.3Å
75F81.4Confident93.5Very high166 Ų16664.9 Ų64.973%0.72835%0.352SS*.SBendtrans-109.8-17.9-176.3-55.2-71.4000114.2G73G73-F75 PolarHBondContact O-N 2.8Å
76A80.2Confident93.5Very high73 Ų7362.3 Ų62.360%0.60334%0.343SS*.  trans-152.996-176.300000109.6G73G73-A76 PolarHBondContact N-O 2.99Å
77S90.8Very high93.5Very high86 Ų8662 Ų6260%0.60134%0.341SS*.  trans-111.2136.9170-67.40000109.2A71 M72 G73A71-S77 CarbonylContact O-C 3.55Å; A71-S77 VanDerWaalsContact O-CA 3.24Å; A71-S77 WeakPolarHBondContact O-CA 3.36Å; M72-S77 WeakPolarHBondContact CA-OG 3.26Å; G73-S77 PolarHBondContact N-OG 3.31Å; G73-S77 PolarHBondContact O-OG 2.89Å
78G93.9Very high93.3Very high31 Ų3165 Ų6532%0.3236%0.359SS..EExtended strand (participates in β ladder)trans176.4159.2-178.900000113A71A71-G78 PolarHBondContact N-O 3.06Å; A71-G78 PolarHBondContact O-N 2.81Å
79Y95.8Very high93Very high81 Ų8166.8 Ų66.832%0.31837%0.368SS..EExtended strand (participates in β ladder)trans-105.5135.5170.9168.3-96.1000109.4H68 T69 F81 V105H68-Y79 HydrophobicContact CB-CE2 4.03Å; H68-Y79 PolarHBondContact CE1-OH 2.78Å; H68-Y79 AromaticContact ND1-CE2 3.73Å; H68-Y79 AromaticContact ND1-CZ 3.64Å; H68-Y79 PolarHBondContact ND1-OH 3.21Å; T69-Y79 CarbonylContact O-C 3.46Å; T69-Y79 WeakPolarHBondContact O-CA 3.46Å; Y79-F81 HydrophobicContact CE1-CB 3.98Å; Y79-V105 HydrophobicContact CD1-CG1 3.94Å
80R95.8Very high92.5Very high132 Ų13274.8 Ų74.850%0.49839%0.394SS..EExtended strand (participates in β ladder)trans-126.3132.5172.5-65.2-171.7178176.90.6110.3T69 T103 D104T69-R80 PolarHBondContact N-O 2.54Å; T69-R80 PolarHBondContact O-N 3.04Å; R80-T103 CarbonylContact C-O 3.6Å; R80-T103 VanDerWaalsContact CA-O 3.28Å; R80-T103 WeakPolarHBondContact CA-O 3.38Å; R80-D104 HydrophobicContact CG-CB 4.05Å
81F97.4Very high91.9Very high71 Ų7174.3 Ų74.331%0.31139%0.389SS..EExtended strand (participates in β ladder)trans-102.3122.6171.6177.4-96.9000109V66 H68 Y79 A83 D102 T103V66-F81 HydrophobicContact CG1-CD2 4.05Å; V66-F81 HydrophobicContact CG1-CE2 3.21Å; V66-F81 HydrophobicContact CG1-CZ 3.63Å; V66-F81 HydrophobicContact CG2-CZ 4.31Å; H68-F81 AromaticContact CE1-CD2 3.67Å; H68-F81 AromaticContact CE1-CE2 3.8Å; H68-F81 AromaticContact ND1-CD2 3.93Å; Y79-F81 HydrophobicContact CE1-CB 3.98Å; F81-A83 HydrophobicContact CE1-CB 4.25Å; F81-D102 CarbonylContact O-C 3.45Å; F81-D102 VanDerWaalsContact O-CA 3.26Å; F81-D102 WeakPolarHBondContact O-CA 3.49Å; F81-T103 HydrophobicContact CB-CG2 4.05Å; F81-T103 HydrophobicContact CD1-CG2 4.27Å; F81-T103 PolarHBondContact N-O 3.36Å; F81-T103 PolarHBondContact O-N 2.9Å
82G97.3Very high91.3Very high11 Ų1175.1 Ų75.111%0.11340%0.4CS..EExtended strand (participates in β ladder)trans-112.4143176.200000111.3V66 T67 A101V66-G82 CarbonylContact C-O 3.54Å; V66-G82 WeakPolarHBondContact CA-O 3.11Å; T67-G82 PolarHBondContact N-O 2.83Å; T67-G82 PolarHBondContact O-N 3.19Å; G82-A101 CarbonylContact C-O 3.51Å; G82-A101 WeakPolarHBondContact CA-O 3.39Å
83A97.4Very high90.6Very high26 Ų2673.8 Ų73.822%0.21540%0.401CS..EExtended strand (participates in β ladder)trans-130.1139.3169.500000109.6F64 Q65 F81 L100 A101F64-A83 HydrophobicContact CE2-CB 4.22Å; F64-A83 HydrophobicContact CZ-CB 3.94Å; Q65-A83 WeakPolarHBondContact O-CA 3.33Å; F81-A83 HydrophobicContact CE1-CB 4.25Å; A83-L100 WeakPolarHBondContact O-CA 3.49Å; A83-A101 PolarHBondContact N-O 2.72Å; A83-A101 PolarHBondContact O-N 2.82Å
84M97.1Very high90.7Very high64 Ų6477.2 Ų77.232%0.31541%0.413SS..EExtended strand (participates in β ladder)trans-127.6128.9176.8178.8-174.3-59.500108.9F64 Q65 V86 F99 L100F64-M84 WeakPolarHBondContact CA-O 3.34Å; Q65-M84 HydrophobicContact CB-CB 4.38Å; Q65-M84 PolarHBondContact N-O 3.1Å; Q65-M84 PolarHBondContact O-N 3.23Å; M84-V86 HydrophobicContact CG-CG2 4.23Å; M84-V86 HydrophobicContact SD-CG2 4.25Å; M84-F99 CarbonylContact C-O 3.49Å; M84-F99 VanDerWaalsContact CA-O 3.26Å; M84-F99 WeakPolarHBondContact CA-O 3.11Å; M84-L100 HydrophobicContact CB-CD2 3.86Å; M84-L100 HydrophobicContact CE-CD2 3.22Å; M84-L100 HydrophobicContact CG-CD2 3.46Å; M84-L100 VanDerWaalsContact CG-CD2 3.46Å; M84-L100 HydrophobicContact SD-CD2 3.93Å
85Y97.4Very high91.1Very high93 Ų9374.1 Ų74.137%0.36539%0.394SS..EExtended strand (participates in β ladder)trans-118.5132.7168.4176.5-93.7000110.3H63 F64 V98 F99H63-Y85 HydrophobicContact CB-CD2 4.1Å; H63-Y85 HydrophobicContact CB-CE2 3.76Å; H63-Y85 CarbonylContact O-C 3.46Å; H63-Y85 WeakPolarHBondContact O-CA 3.44Å; F64-Y85 HydrophobicContact CD2-CD2 4.34Å; Y85-V98 CarbonylContact O-C 3.53Å; Y85-V98 WeakPolarHBondContact O-CA 3.26Å; Y85-F99 AromaticContact CD1-CD2 3.85Å; Y85-F99 HydrophobicContact CD1-CD2 3.85Å; Y85-F99 HydrophobicContact CD1-CE2 4.39Å; Y85-F99 PolarHBondContact N-O 2.7Å; Y85-F99 PolarHBondContact O-N 2.84Å
86V96.5Very high91.7Very high41 Ų4166.4 Ų66.425%0.24836%0.36CS..EExtended strand (participates in β ladder)trans-120.8117.9174.9-179.20000108.1H63 M84 V98H63-V86 VanDerWaalsContact CB-O 3.25Å; H63-V86 WeakPolarHBondContact CB-O 3.32Å; H63-V86 PolarHBondContact ND1-O 3.38Å; H63-V86 PolarHBondContact O-N 2.81Å; M84-V86 HydrophobicContact CG-CG2 4.23Å; M84-V86 HydrophobicContact SD-CG2 4.25Å; V86-V98 HydrophobicContact CG2-CG1 4.44Å
87G95.2Very high92.5Very high2 Ų264 Ų642%0.02134%0.338CS..EExtended strand (participates in β ladder)trans-70-170.9-179.700000113.7S95 F96 P97G87-S95 WeakPolarHBondContact O-CB 3.35Å; G87-F96 CarbonylContact C-O 3.38Å; G87-F96 WeakPolarHBondContact CA-O 3.22Å; G87-P97 PolarHBondContact N-O 3.25Å
88T92.6Very high92.8Very high98 Ų9861 Ų6160%0.60132%0.316SS*.EExtended strand (participates in β ladder)trans-105.9-12-173.752.60000113.8R90 F96T88-R90 PolarHBondContact O-N 2.8Å; T88-F96 PolarHBondContact N-O 2.83Å
89Q90.4Very high93Very high99 Ų9964.1 Ų64.146%0.46332%0.321SS..EExtended strand (participates in β ladder)trans-72.9112.2-178.8-61.4178.23.500109.3Y91 S95 F96Q89-Y91 HydrophobicContact CB-CE2 4.44Å; Q89-S95 CarbonylContact O-C 3.53Å; Q89-S95 WeakPolarHBondContact O-CA 3.34Å; Q89-F96 WeakPolarHBondContact CB-O 3.26Å; Q89-F96 PolarHBondContact N-O 2.85Å; Q89-F96 PolarHBondContact O-N 2.81Å
90R86.4Confident93.1Very high199 Ų19962.9 Ų62.975%0.75132%0.32SS*.EExtended strand (participates in β ladder)trans-96132.2-176.6-69.5-172.9175.31780.5111.6T88 E94T88-R90 PolarHBondContact O-N 2.8Å; R90-E94 WeakPolarHBondContact CA-O 3.35Å
91Y83.4Confident93.1Very high52 Ų5258.4 Ų58.420%0.20431%0.311CS..EExtended strand (participates in β ladder)trans-125102.9169.3-71.9-90.9000107.5Q89 S93 E94 F96 Q116 D119Q89-Y91 HydrophobicContact CB-CE2 4.44Å; Y91-S93 PolarHBondContact O-N 3.36Å; Y91-E94 PolarHBondContact N-O 2.85Å; Y91-E94 PolarHBondContact O-N 2.79Å; Y91-F96 AromaticContact CD2-CD2 3.9Å; Y91-F96 HydrophobicContact CD2-CD2 3.9Å; Y91-Q116 HydrophobicContact CD1-CG 3.9Å; Y91-Q116 HydrophobicContact CD2-CB 3.7Å; Y91-Q116 HydrophobicContact CD2-CG 3.72Å; Y91-Q116 HydrophobicContact CE1-CG 4.24Å; Y91-Q116 HydrophobicContact CE2-CB 3.91Å; Y91-Q116 HydrophobicContact CE2-CG 4.06Å; Y91-Q116 WeakPolarHBondContact CE2-O 3.45Å; Y91-Q116 HydrophobicContact CG-CB 4.12Å; Y91-Q116 HydrophobicContact CG-CG 3.61Å; Y91-D119 WeakPolarHBondContact CD1-OD1 3.43Å
92G80.1Confident93Very high51 Ų5157.6 Ų57.653%0.52631%0.31SS..THydrogen-bonded Turntrans60.8-116.9-169.400000111.2
93S81.3Confident93Very high68 Ų6859.4 Ų59.448%0.47632%0.319SS..THydrogen-bonded Turntrans-92.9-13.9-178.762.10000115Y91Y91-S93 PolarHBondContact O-N 3.36Å
94E89.4Confident92.8Very high84 Ų8459.7 Ų59.739%0.39332%0.317SS..EExtended strand (participates in β ladder)trans-98.8149-174.3-66.8178.8179.300110.3R90 Y91 F96 R122R90-E94 WeakPolarHBondContact CA-O 3.35Å; Y91-E94 PolarHBondContact N-O 2.85Å; Y91-E94 PolarHBondContact O-N 2.79Å; E94-F96 HydrophobicContact CB-CD2 4.45Å; E94-F96 HydrophobicContact CB-CE2 3.54Å; E94-F96 HydrophobicContact CB-CZ 3.89Å; E94-F96 WeakPolarHBondContact OE2-CZ 3.16Å; E94-R122 IonicContact OE2-CZ 3.34Å; E94-R122 IonicContact OE2-NH1 3.25Å; E94-R122 PolarHBondContact OE2-NH1 2.83Å; E94-R122 IonicContact OE2-NH2 2.7Å; E94-R122 PolarHBondContact OE2-NH2 2.78Å
95S93Very high92.6Very high28 Ų2861.9 Ų61.920%0.19633%0.333CS..EExtended strand (participates in β ladder)trans-117.2140.9178.6-57.50000110.3G87 Q89 V98G87-S95 WeakPolarHBondContact O-CB 3.35Å; Q89-S95 CarbonylContact O-C 3.53Å; Q89-S95 WeakPolarHBondContact O-CA 3.34Å; S95-V98 WeakPolarHBondContact O-CG2 3.49Å
96F94.8Very high92.3Very high5 Ų562.3 Ų62.32%0.02235%0.346CS..EExtended strand (participates in β ladder)trans-136.2161.4-173.4-64.9-83.2000111.4G87 T88 Q89 Y91 E94 V98 I114 Q116G87-F96 CarbonylContact C-O 3.38Å; G87-F96 WeakPolarHBondContact CA-O 3.22Å; T88-F96 PolarHBondContact N-O 2.83Å; Q89-F96 WeakPolarHBondContact CB-O 3.26Å; Q89-F96 PolarHBondContact N-O 2.85Å; Q89-F96 PolarHBondContact O-N 2.81Å; Y91-F96 AromaticContact CD2-CD2 3.9Å; Y91-F96 HydrophobicContact CD2-CD2 3.9Å; E94-F96 HydrophobicContact CB-CD2 4.45Å; E94-F96 HydrophobicContact CB-CE2 3.54Å; E94-F96 HydrophobicContact CB-CZ 3.89Å; E94-F96 WeakPolarHBondContact OE2-CZ 3.16Å; F96-V98 HydrophobicContact CD1-CG2 4.24Å; F96-I114 HydrophobicContact CD1-CG2 4.35Å; F96-I114 HydrophobicContact CE1-CG2 3.84Å; F96-Q116 HydrophobicContact CB-CB 4.45Å; F96-Q116 HydrophobicContact CD1-CB 4.06Å; F96-Q116 HydrophobicContact CD2-CB 3.53Å; F96-Q116 HydrophobicContact CD2-CG 4.46Å; F96-Q116 HydrophobicContact CE1-CB 4.18Å; F96-Q116 HydrophobicContact CE2-CB 3.64Å; F96-Q116 HydrophobicContact CE2-CG 4.27Å; F96-Q116 HydrophobicContact CG-CB 3.74Å; F96-Q116 HydrophobicContact CZ-CB 3.97Å
97P96.8Very high92Very high23 Ų2362.4 Ų62.415%0.14936%0.355CS..EExtended strand (participates in β ladder)cis-63159-11.922.9-32.8000113.4G87 F99 F113 I114 Q115G87-P97 PolarHBondContact N-O 3.25Å; P97-F99 HydrophobicContact CB-CD2 4.12Å; P97-F99 HydrophobicContact CB-CE2 3.68Å; P97-F99 HydrophobicContact CB-CZ 4.48Å; P97-F99 HydrophobicContact CG-CD2 4.28Å; P97-F99 HydrophobicContact CG-CE2 3.62Å; P97-F113 HydrophobicContact CB-CD2 4.28Å; P97-F113 HydrophobicContact CB-CE2 3.48Å; P97-F113 VanDerWaalsContact CB-CE2 3.48Å; P97-F113 HydrophobicContact CB-CZ 4.21Å; P97-F113 HydrophobicContact CG-CE2 4.41Å; P97-I114 CarbonylContact C-O 3.53Å; P97-I114 WeakPolarHBondContact CA-O 3.22Å; P97-Q115 VanDerWaalsContact CB-OE1 3.26Å
98V97.4Very high92Very high23 Ų2364.2 Ų64.214%0.13936%0.364CS..EExtended strand (participates in β ladder)trans-111.6121.2167.4-177.10000108.5Y85 V86 S95 F96 L100 F113 I114Y85-V98 CarbonylContact O-C 3.53Å; Y85-V98 WeakPolarHBondContact O-CA 3.26Å; V86-V98 HydrophobicContact CG2-CG1 4.44Å; S95-V98 WeakPolarHBondContact O-CG2 3.49Å; F96-V98 HydrophobicContact CD1-CG2 4.24Å; V98-L100 HydrophobicContact CG1-CD1 4.19Å; V98-L100 HydrophobicContact CG1-CD2 4.41Å; V98-L100 HydrophobicContact CG1-CG 4.01Å; V98-F113 CarbonylContact O-C 3.56Å; V98-F113 WeakPolarHBondContact O-CA 3.33Å; V98-I114 HydrophobicContact CB-CB 4.23Å; V98-I114 PolarHBondContact N-O 3.09Å; V98-I114 PolarHBondContact O-N 2.76Å
99F97.6Very high92.2Very high96 Ų9662.4 Ų62.442%0.42135%0.35SS..EExtended strand (participates in β ladder)trans-108.4132.4169.6-65.5-99.3000108.6M84 Y85 P97 N112 F113M84-F99 CarbonylContact C-O 3.49Å; M84-F99 VanDerWaalsContact CA-O 3.26Å; M84-F99 WeakPolarHBondContact CA-O 3.11Å; Y85-F99 AromaticContact CD1-CD2 3.85Å; Y85-F99 HydrophobicContact CD1-CD2 3.85Å; Y85-F99 HydrophobicContact CD1-CE2 4.39Å; Y85-F99 PolarHBondContact N-O 2.7Å; Y85-F99 PolarHBondContact O-N 2.84Å; P97-F99 HydrophobicContact CB-CD2 4.12Å; P97-F99 HydrophobicContact CB-CE2 3.68Å; P97-F99 HydrophobicContact CB-CZ 4.48Å; P97-F99 HydrophobicContact CG-CD2 4.28Å; P97-F99 HydrophobicContact CG-CE2 3.62Å; F99-N112 CarbonylContact C-O 3.45Å; F99-N112 WeakPolarHBondContact CA-O 3.4Å; F99-F113 HydrophobicContact CD1-CB 4.39Å; F99-F113 AromaticContact CD1-CD2 3.59Å; F99-F113 HydrophobicContact CD1-CD2 3.59Å; F99-F113 HydrophobicContact CD1-CE2 4.34Å; F99-F113 HydrophobicContact CD1-CG 4.4Å; F99-F113 HydrophobicContact CD2-CD2 4.1Å; F99-F113 HydrophobicContact CD2-CE2 4.31Å; F99-F113 HydrophobicContact CE1-CB 4.47Å; F99-F113 AromaticContact CE1-CD2 3.22Å; F99-F113 HydrophobicContact CE1-CD2 3.22Å; F99-F113 AromaticContact CE1-CE2 3.63Å; F99-F113 HydrophobicContact CE1-CE2 3.63Å; F99-F113 HydrophobicContact CE1-CG 4.11Å; F99-F113 AromaticContact CE2-CD2 3.82Å; F99-F113 HydrophobicContact CE2-CD2 3.82Å; F99-F113 AromaticContact CE2-CE2 3.64Å; F99-F113 HydrophobicContact CE2-CE2 3.64Å; F99-F113 HydrophobicContact CG-CD2 4.03Å; F99-F113 AromaticContact CZ-CD2 3.37Å; F99-F113 HydrophobicContact CZ-CD2 3.37Å; F99-F113 AromaticContact CZ-CE2 3.24Å; F99-F113 HydrophobicContact CZ-CE2 3.24Å; F99-F113 HydrophobicContact CZ-CZ 4.37Å
100L96.9Very high92.4Very high54 Ų5459.7 Ų59.728%0.28334%0.339SS..EExtended strand (participates in β ladder)trans-131.1128.8175.5-60.6156.7000106.2A83 M84 V98 A111 N112 I114A83-L100 WeakPolarHBondContact O-CA 3.49Å; M84-L100 HydrophobicContact CB-CD2 3.86Å; M84-L100 HydrophobicContact CE-CD2 3.22Å; M84-L100 HydrophobicContact CG-CD2 3.46Å; M84-L100 VanDerWaalsContact CG-CD2 3.46Å; M84-L100 HydrophobicContact SD-CD2 3.93Å; V98-L100 HydrophobicContact CG1-CD1 4.19Å; V98-L100 HydrophobicContact CG1-CD2 4.41Å; V98-L100 HydrophobicContact CG1-CG 4.01Å; L100-A111 CarbonylContact O-C 3.58Å; L100-A111 WeakPolarHBondContact O-CA 3.19Å; L100-N112 HydrophobicContact CB-CB 4.19Å; L100-N112 HydrophobicContact CD1-CB 4.32Å; L100-N112 PolarHBondContact N-O 2.79Å; L100-N112 PolarHBondContact O-N 2.83Å; L100-I114 HydrophobicContact CD1-CD1 4.48Å
101A97.4Very high93Very high38 Ų3851.6 Ų51.631%0.31432%0.315SS..EExtended strand (participates in β ladder)trans-142.9136.5172.800000110.1G82 A83 L109 N110 A111G82-A101 CarbonylContact C-O 3.51Å; G82-A101 WeakPolarHBondContact CA-O 3.39Å; A83-A101 PolarHBondContact N-O 2.72Å; A83-A101 PolarHBondContact O-N 2.82Å; A101-L109 HydrophobicContact CB-CD1 4.19Å; A101-N110 CarbonylContact C-O 3.55Å; A101-N110 WeakPolarHBondContact CA-O 3.47Å; A101-A111 HydrophobicContact CB-CB 4.38Å
102D95.7Very high93.7Very high55 Ų5550.1 Ų50.129%0.29431%0.31SS..EExtended strand (participates in β ladder)trans-125.7136.5169.363.7-82.9000111.2F81 L109 N110F81-D102 CarbonylContact O-C 3.45Å; F81-D102 VanDerWaalsContact O-CA 3.26Å; F81-D102 WeakPolarHBondContact O-CA 3.49Å; D102-L109 CarbonylContact O-C 3.51Å; D102-L109 WeakPolarHBondContact O-CA 3.14Å; D102-N110 PolarHBondContact N-O 2.87Å; D102-N110 PolarHBondContact O-N 3.02Å; D102-N110 WeakPolarHBondContact OD1-CB 3.27Å
103T96.5Very high94.5Very high48 Ų4850.9 Ų50.929%0.29430%0.299SS..EExtended strand (participates in β ladder)trans-123.9144.6176.2-171.10000110.4R80 F81 N108R80-T103 CarbonylContact C-O 3.6Å; R80-T103 VanDerWaalsContact CA-O 3.28Å; R80-T103 WeakPolarHBondContact CA-O 3.38Å; F81-T103 HydrophobicContact CB-CG2 4.05Å; F81-T103 HydrophobicContact CD1-CG2 4.27Å; F81-T103 PolarHBondContact N-O 3.36Å; F81-T103 PolarHBondContact O-N 2.9Å; T103-N108 CarbonylContact C-O 3.54Å; T103-N108 WeakPolarHBondContact CA-O 3.43Å; T103-N108 PolarHBondContact OG1-O 2.85Å
104D93.7Very high95.3Very high33 Ų3349.1 Ų49.118%0.17628%0.284CS..EExtended strand (participates in β ladder)trans-102.5174.3171.268.724.8000112.3R80 T106 G107 N108R80-D104 HydrophobicContact CG-CB 4.05Å; D104-T106 PolarHBondContact O-N 2.82Å; D104-T106 WeakPolarHBondContact OD1-CA 3.49Å; D104-T106 PolarHBondContact OD1-N 2.73Å; D104-T106 PolarHBondContact OD1-OG1 2.85Å; D104-T106 PolarHBondContact OD2-OG1 2.73Å; D104-G107 PolarHBondContact O-N 2.89Å; D104-G107 VanDerWaalsContact O-N 3.12Å; D104-G107 PolarHBondContact OD1-N 2.82Å; D104-G107 VanDerWaalsContact OD1-N 3.12Å; D104-N108 PolarHBondContact N-O 2.83Å; D104-N108 WeakPolarHBondContact OD1-CB 3.44Å; D104-N108 PolarHBondContact OD1-N 2.81Å; D104-N108 PolarHBondContact OD1-ND2 3.04Å; D104-N108 WeakPolarHBondContact OD2-CB 3.28Å; D104-N108 PolarHBondContact OD2-ND2 2.79Å
105V91.2Very high95.6Very high109 Ų10946.3 Ų46.366%0.66127%0.271SS*.THydrogen-bonded Turntrans-66.6-16.2179.5-63.60000113.9Y79 G107Y79-V105 HydrophobicContact CD1-CG1 3.94Å; V105-G107 VanDerWaalsContact C-N 3.3Å
106T91.1Very high95.7Very high103 Ų10345.2 Ų45.263%0.63226%0.263SS*.THydrogen-bonded Turntrans-88.5-1175.652.60000112.7D104 N108D104-T106 PolarHBondContact O-N 2.82Å; D104-T106 WeakPolarHBondContact OD1-CA 3.49Å; D104-T106 PolarHBondContact OD1-N 2.73Å; D104-T106 PolarHBondContact OD1-OG1 2.85Å; D104-T106 PolarHBondContact OD2-OG1 2.73Å; T106-N108 PolarHBondContact OG1-ND2 3.09Å
107G91Very high95.6Very high42 Ų4249.3 Ų49.343%0.43329%0.285SS..  trans81.513.6-179.400000113.7D104 V105D104-G107 PolarHBondContact O-N 2.89Å; D104-G107 VanDerWaalsContact O-N 3.12Å; D104-G107 PolarHBondContact OD1-N 2.82Å; D104-G107 VanDerWaalsContact OD1-N 3.12Å; V105-G107 VanDerWaalsContact C-N 3.3Å
108N95Very high95.3Very high41 Ų4151.5 Ų51.522%0.21930%0.297CS..  trans-74.3135.5169.6-53.7-46.5000108.7T103 D104 T106 I129 Q130T103-N108 CarbonylContact C-O 3.54Å; T103-N108 WeakPolarHBondContact CA-O 3.43Å; T103-N108 PolarHBondContact OG1-O 2.85Å; D104-N108 PolarHBondContact N-O 2.83Å; D104-N108 WeakPolarHBondContact OD1-CB 3.44Å; D104-N108 PolarHBondContact OD1-N 2.81Å; D104-N108 PolarHBondContact OD1-ND2 3.04Å; D104-N108 WeakPolarHBondContact OD2-CB 3.28Å; D104-N108 PolarHBondContact OD2-ND2 2.79Å; T106-N108 PolarHBondContact OG1-ND2 3.09Å; N108-I129 CarbonylContact C-O 3.46Å; N108-I129 VanDerWaalsContact CA-O 3.27Å; N108-I129 WeakPolarHBondContact CA-O 3.47Å; N108-Q130 HydrophobicContact CB-CG 4.2Å; N108-Q130 WeakPolarHBondContact OD1-CA 3.41Å; N108-Q130 WeakPolarHBondContact OD1-CB 3.49Å
109L96.2Very high94.9Very high60 Ų6055 Ų5531%0.31432%0.316SS..EExtended strand (participates in β ladder)trans-121.8132.8-179.3177.472.7000109.7A101 D102 Q128 I129A101-L109 HydrophobicContact CB-CD1 4.19Å; D102-L109 CarbonylContact O-C 3.51Å; D102-L109 WeakPolarHBondContact O-CA 3.14Å; L109-Q128 CarbonylContact O-C 3.5Å; L109-Q128 WeakPolarHBondContact O-CA 3.46Å; L109-I129 HydrophobicContact CB-CB 4.23Å; L109-I129 HydrophobicContact CD2-CD1 4.02Å; L109-I129 PolarHBondContact N-O 2.77Å; L109-I129 PolarHBondContact O-N 2.82Å
110N96.4Very high94.7Very high42 Ų4255.5 Ų55.523%0.22532%0.315CS..EExtended strand (participates in β ladder)trans-114.1124.9164.1-175-56.7000107.9A101 D102 N112 A127 Q128A101-N110 CarbonylContact C-O 3.55Å; A101-N110 WeakPolarHBondContact CA-O 3.47Å; D102-N110 PolarHBondContact N-O 2.87Å; D102-N110 PolarHBondContact O-N 3.02Å; D102-N110 WeakPolarHBondContact OD1-CB 3.27Å; N110-N112 PolarHBondContact OD1-ND2 2.84Å; N110-A127 WeakPolarHBondContact CA-O 3.38Å; N110-Q128 PolarHBondContact ND2-NE2 3.45Å
111A97.5Very high94.6Very high29 Ų2955.4 Ų55.424%0.2431%0.314CS..EExtended strand (participates in β ladder)trans-128.2137.5-178.600000110.3L100 A101 A126 A127L100-A111 CarbonylContact O-C 3.58Å; L100-A111 WeakPolarHBondContact O-CA 3.19Å; A101-A111 HydrophobicContact CB-CB 4.38Å; A111-A126 CarbonylContact O-C 3.6Å; A111-A126 VanDerWaalsContact O-CA 3.26Å; A111-A126 WeakPolarHBondContact O-CA 3.39Å; A111-A127 PolarHBondContact N-O 3.43Å; A111-A127 PolarHBondContact O-N 2.88Å
112N97.8Very high94.5Very high21 Ų2155.1 Ų55.111%0.11231%0.305CS..EExtended strand (participates in β ladder)trans-129.3131.3172.7-64.8-104.3000109.3F99 L100 N110 R124 F125 A126F99-N112 CarbonylContact C-O 3.45Å; F99-N112 WeakPolarHBondContact CA-O 3.4Å; L100-N112 HydrophobicContact CB-CB 4.19Å; L100-N112 HydrophobicContact CD1-CB 4.32Å; L100-N112 PolarHBondContact N-O 2.79Å; L100-N112 PolarHBondContact O-N 2.83Å; N110-N112 PolarHBondContact OD1-ND2 2.84Å; N112-R124 PolarHBondContact OD1-NE 2.81Å; N112-R124 PolarHBondContact OD1-NH2 2.93Å; N112-F125 CarbonylContact C-O 3.46Å; N112-F125 WeakPolarHBondContact CA-O 3.49Å; N112-A126 WeakPolarHBondContact OD1-CB 3.45Å
113F97.8Very high94.6Very high66 Ų6653.8 Ų53.829%0.28930%0.299SS..EExtended strand (participates in β ladder)trans-119.9124.9172.6170.8-110.7000108.4P97 V98 F99 Q115 R124 F125P97-F113 HydrophobicContact CB-CD2 4.28Å; P97-F113 HydrophobicContact CB-CE2 3.48Å; P97-F113 VanDerWaalsContact CB-CE2 3.48Å; P97-F113 HydrophobicContact CB-CZ 4.21Å; P97-F113 HydrophobicContact CG-CE2 4.41Å; V98-F113 CarbonylContact O-C 3.56Å; V98-F113 WeakPolarHBondContact O-CA 3.33Å; F99-F113 HydrophobicContact CD1-CB 4.39Å; F99-F113 AromaticContact CD1-CD2 3.59Å; F99-F113 HydrophobicContact CD1-CD2 3.59Å; F99-F113 HydrophobicContact CD1-CE2 4.34Å; F99-F113 HydrophobicContact CD1-CG 4.4Å; F99-F113 HydrophobicContact CD2-CD2 4.1Å; F99-F113 HydrophobicContact CD2-CE2 4.31Å; F99-F113 HydrophobicContact CE1-CB 4.47Å; F99-F113 AromaticContact CE1-CD2 3.22Å; F99-F113 HydrophobicContact CE1-CD2 3.22Å; F99-F113 AromaticContact CE1-CE2 3.63Å; F99-F113 HydrophobicContact CE1-CE2 3.63Å; F99-F113 HydrophobicContact CE1-CG 4.11Å; F99-F113 AromaticContact CE2-CD2 3.82Å; F99-F113 HydrophobicContact CE2-CD2 3.82Å; F99-F113 AromaticContact CE2-CE2 3.64Å; F99-F113 HydrophobicContact CE2-CE2 3.64Å; F99-F113 HydrophobicContact CG-CD2 4.03Å; F99-F113 AromaticContact CZ-CD2 3.37Å; F99-F113 HydrophobicContact CZ-CD2 3.37Å; F99-F113 AromaticContact CZ-CE2 3.24Å; F99-F113 HydrophobicContact CZ-CE2 3.24Å; F99-F113 HydrophobicContact CZ-CZ 4.37Å; F113-Q115 HydrophobicContact CE1-CB 3.82Å; F113-Q115 HydrophobicContact CZ-CB 3.72Å; F113-Q115 HydrophobicContact CZ-CG 4.42Å; F113-R124 CarbonylContact O-C 3.51Å; F113-R124 VanDerWaalsContact O-CA 3.29Å; F113-R124 WeakPolarHBondContact O-CA 3.25Å; F113-F125 HydrophobicContact CB-CB 4.36Å; F113-F125 HydrophobicContact CD1-CB 4.4Å; F113-F125 PolarHBondContact N-O 2.91Å; F113-F125 PolarHBondContact O-N 2.8Å
114I97.4Very high94.7Very high31 Ų3156.2 Ų56.216%0.15930%0.303CS..EExtended strand (participates in β ladder)trans-123.3123.7180-50.7168.8000107.9F96 P97 V98 L100 R122 C123 R124F96-I114 HydrophobicContact CD1-CG2 4.35Å; F96-I114 HydrophobicContact CE1-CG2 3.84Å; P97-I114 CarbonylContact C-O 3.53Å; P97-I114 WeakPolarHBondContact CA-O 3.22Å; V98-I114 HydrophobicContact CB-CB 4.23Å; V98-I114 PolarHBondContact N-O 3.09Å; V98-I114 PolarHBondContact O-N 2.76Å; L100-I114 HydrophobicContact CD1-CD1 4.48Å; I114-R122 HydrophobicContact CG2-CG 4.11Å; I114-C123 WeakPolarHBondContact CA-O 3.49Å; I114-R124 HydrophobicContact CG1-CB 4.4Å; I114-R124 HydrophobicContact CG1-CG 4.04Å
115Q96.5Very high94.9Very high26 Ų2658.7 Ų58.712%0.12131%0.313CS..EExtended strand (participates in β ladder)trans-129.8128.3177.7179.165.45100110P97 F113 L117 C123P97-Q115 VanDerWaalsContact CB-OE1 3.26Å; F113-Q115 HydrophobicContact CE1-CB 3.82Å; F113-Q115 HydrophobicContact CZ-CB 3.72Å; F113-Q115 HydrophobicContact CZ-CG 4.42Å; Q115-L117 HydrophobicContact CG-CD2 3.72Å; Q115-L117 HydrophobicContact CG-CG 4.33Å; Q115-C123 PolarHBondContact N-O 3.1Å; Q115-C123 PolarHBondContact O-N 2.9Å
116Q95.1Very high95.2Very high4 Ų454.2 Ų54.22%0.01929%0.287CS..EExtended strand (participates in β ladder)trans-86.4114.3165.1-168.375.935.700108.1Y91 F96 T118 L121Y91-Q116 HydrophobicContact CD1-CG 3.9Å; Y91-Q116 HydrophobicContact CD2-CB 3.7Å; Y91-Q116 HydrophobicContact CD2-CG 3.72Å; Y91-Q116 HydrophobicContact CE1-CG 4.24Å; Y91-Q116 HydrophobicContact CE2-CB 3.91Å; Y91-Q116 HydrophobicContact CE2-CG 4.06Å; Y91-Q116 WeakPolarHBondContact CE2-O 3.45Å; Y91-Q116 HydrophobicContact CG-CB 4.12Å; Y91-Q116 HydrophobicContact CG-CG 3.61Å; F96-Q116 HydrophobicContact CB-CB 4.45Å; F96-Q116 HydrophobicContact CD1-CB 4.06Å; F96-Q116 HydrophobicContact CD2-CB 3.53Å; F96-Q116 HydrophobicContact CD2-CG 4.46Å; F96-Q116 HydrophobicContact CE1-CB 4.18Å; F96-Q116 HydrophobicContact CE2-CB 3.64Å; F96-Q116 HydrophobicContact CE2-CG 4.27Å; F96-Q116 HydrophobicContact CG-CB 3.74Å; F96-Q116 HydrophobicContact CZ-CB 3.97Å; Q116-T118 VanDerWaalsContact CG-O 3.27Å; Q116-T118 WeakPolarHBondContact CG-O 3.18Å; Q116-T118 PolarHBondContact NE2-O 3.18Å; Q116-L121 PolarHBondContact NE2-O 3.15Å
117L92.6Very high95.5Very high92 Ų9249.6 Ų49.648%0.48226%0.259SS..  trans-87.9-33.7-176.9-65.9175.5000112.3Q115 L121 C123Q115-L117 HydrophobicContact CG-CD2 3.72Å; Q115-L117 HydrophobicContact CG-CG 4.33Å; L117-L121 HydrophobicContact CB-CB 4.47Å; L117-L121 HydrophobicContact CB-CD2 4.22Å; L117-L121 HydrophobicContact CB-CG 4.5Å; L117-L121 HydrophobicContact CD1-CD2 3.85Å; L117-L121 HydrophobicContact CD1-CG 4.39Å; L117-L121 PolarHBondContact N-O 2.98Å; L117-C123 HydrophobicContact CD1-CB 4.4Å; L117-C123 VanDerWaalsContact CD1-SG 3.5Å
118T91.7Very high95.7Very high68 Ų6851.8 Ų51.842%0.41726%0.258SS..SBendtrans-144.7174.7175.568.50000108.9Q116 R120 L121Q116-T118 VanDerWaalsContact CG-O 3.27Å; Q116-T118 WeakPolarHBondContact CG-O 3.18Å; Q116-T118 PolarHBondContact NE2-O 3.18Å; T118-R120 PolarHBondContact O-N 2.74Å; T118-R120 PolarHBondContact OG1-N 2.71Å; T118-L121 PolarHBondContact N-O 3.34Å; T118-L121 PolarHBondContact O-N 3.4Å; T118-L121 VanDerWaalsContact OG1-CB 3.27Å; T118-L121 WeakPolarHBondContact OG1-CB 3.26Å; T118-L121 PolarHBondContact OG1-N 2.86Å
119D88Confident95.8Very high98 Ų9851.8 Ų51.852%0.52426%0.258SS..SBendtrans-57.5-15175.3-61.3-31.1000114.4Y91Y91-D119 WeakPolarHBondContact CD1-OD1 3.43Å
120R92.6Very high95.7Very high106 Ų10653.4 Ų53.440%0.426%0.264SS..SBendtrans-117.2-28.2-176.8-61.3-170.4-178.5-179.61.8113.7F27 T118 Y143 R144F27-R120 HydrophobicContact CE2-CG 4.08Å; F27-R120 HydrophobicContact CZ-CG 3.97Å; T118-R120 PolarHBondContact O-N 2.74Å; T118-R120 PolarHBondContact OG1-N 2.71Å; R120-Y143 HydrophobicContact CB-CD2 4.09Å; R120-Y143 HydrophobicContact CB-CE2 3.69Å; R120-Y143 CarbonylContact O-C 3.58Å; R120-Y143 WeakPolarHBondContact O-CA 3.43Å; R120-R144 WeakPolarHBondContact CA-O 3.42Å; R120-R144 WeakPolarHBondContact CB-O 3.38Å; R120-R144 VanDerWaalsContact CG-O 3.26Å; R120-R144 WeakPolarHBondContact CG-O 3.49Å; R120-R144 PolarHBondContact O-N 3.02Å
121L95.6Very high95.4Very high51 Ų5156.4 Ų56.427%0.26729%0.288SS..EExtended strand (participates in β ladder)trans-104.5120.4-171.3-17069.8000111.1Q116 L117 T118 T141 E142 Y143Q116-L121 PolarHBondContact NE2-O 3.15Å; L117-L121 HydrophobicContact CB-CB 4.47Å; L117-L121 HydrophobicContact CB-CD2 4.22Å; L117-L121 HydrophobicContact CB-CG 4.5Å; L117-L121 HydrophobicContact CD1-CD2 3.85Å; L117-L121 HydrophobicContact CD1-CG 4.39Å; L117-L121 PolarHBondContact N-O 2.98Å; T118-L121 PolarHBondContact N-O 3.34Å; T118-L121 PolarHBondContact O-N 3.4Å; T118-L121 VanDerWaalsContact OG1-CB 3.27Å; T118-L121 WeakPolarHBondContact OG1-CB 3.26Å; T118-L121 PolarHBondContact OG1-N 2.86Å; L121-T141 HydrophobicContact CD1-CG2 3.47Å; L121-T141 VanDerWaalsContact CD1-CG2 3.47Å; L121-T141 HydrophobicContact CG-CG2 4.39Å; L121-E142 WeakPolarHBondContact CA-O 3.44Å; L121-Y143 HydrophobicContact CD1-CD2 4.31Å
122R95.8Very high94.8Very high33 Ų3362.5 Ų62.513%0.12532%0.316CS..EExtended strand (participates in β ladder)trans-118.9134.5173.8-175.9178.3-62.7-163.6-5.6109.4E94 I114 T141 E142E94-R122 IonicContact OE2-CZ 3.34Å; E94-R122 IonicContact OE2-NH1 3.25Å; E94-R122 PolarHBondContact OE2-NH1 2.83Å; E94-R122 IonicContact OE2-NH2 2.7Å; E94-R122 PolarHBondContact OE2-NH2 2.78Å; I114-R122 HydrophobicContact CG2-CG 4.11Å; R122-T141 CarbonylContact O-C 3.57Å; R122-T141 WeakPolarHBondContact O-CA 3.3Å; R122-E142 HydrophobicContact CB-CB 4.22Å; R122-E142 PolarHBondContact N-O 3.44Å; R122-E142 PolarHBondContact O-N 2.83Å
123C97.6Very high94.4Very high26 Ų2669.1 Ų69.118%0.17634%0.344CS..EExtended strand (participates in β ladder)trans-117.6137.2172.7-64.60000109.4I114 Q115 L117 T140I114-C123 WeakPolarHBondContact CA-O 3.49Å; Q115-C123 PolarHBondContact N-O 3.1Å; Q115-C123 PolarHBondContact O-N 2.9Å; L117-C123 HydrophobicContact CD1-CB 4.4Å; L117-C123 VanDerWaalsContact CD1-SG 3.5Å; C123-T140 CarbonylContact C-O 3.56Å; C123-T140 WeakPolarHBondContact CA-O 3.09Å
124R97.5Very high94Very high100 Ų10072.4 Ų72.438%0.37736%0.359SS..EExtended strand (participates in β ladder)trans-124.8126.1173.8175.2175.8179.5-175.3-1108.6N112 F113 I114 L139 T140N112-R124 PolarHBondContact OD1-NE 2.81Å; N112-R124 PolarHBondContact OD1-NH2 2.93Å; F113-R124 CarbonylContact O-C 3.51Å; F113-R124 VanDerWaalsContact O-CA 3.29Å; F113-R124 WeakPolarHBondContact O-CA 3.25Å; I114-R124 HydrophobicContact CG1-CB 4.4Å; I114-R124 HydrophobicContact CG1-CG 4.04Å; R124-L139 CarbonylContact O-C 3.48Å; R124-L139 WeakPolarHBondContact O-CA 3.01Å; R124-T140 PolarHBondContact N-O 2.83Å; R124-T140 PolarHBondContact O-N 2.97Å
125F98Very high93.8Very high85 Ų8573.4 Ų73.437%0.37337%0.371SS..EExtended strand (participates in β ladder)trans-111.1127.5170.5177.9-100.4000108.4N112 F113 A127 V137 Q138 L139N112-F125 CarbonylContact C-O 3.46Å; N112-F125 WeakPolarHBondContact CA-O 3.49Å; F113-F125 HydrophobicContact CB-CB 4.36Å; F113-F125 HydrophobicContact CD1-CB 4.4Å; F113-F125 PolarHBondContact N-O 2.91Å; F113-F125 PolarHBondContact O-N 2.8Å; F125-A127 HydrophobicContact CE1-CB 3.89Å; F125-A127 HydrophobicContact CZ-CB 4.14Å; F125-V137 HydrophobicContact CD2-CG1 4.47Å; F125-V137 HydrophobicContact CE2-CG1 3.52Å; F125-V137 HydrophobicContact CZ-CG1 3.9Å; F125-Q138 CarbonylContact C-O 3.53Å; F125-Q138 WeakPolarHBondContact CA-O 3.33Å; F125-L139 HydrophobicContact CB-CD1 4.48Å; F125-L139 HydrophobicContact CD2-CD1 4.49Å
126A97.6Very high93.6Very high15 Ų1572.8 Ų72.812%0.12437%0.372CS..EExtended strand (participates in β ladder)trans-126.1135.6175.600000109.6A111 N112 V137 Q138A111-A126 CarbonylContact O-C 3.6Å; A111-A126 VanDerWaalsContact O-CA 3.26Å; A111-A126 WeakPolarHBondContact O-CA 3.39Å; N112-A126 WeakPolarHBondContact OD1-CB 3.45Å; A126-V137 CarbonylContact O-C 3.56Å; A126-V137 WeakPolarHBondContact O-CA 3.48Å; A126-Q138 HydrophobicContact CB-CB 4.36Å; A126-Q138 PolarHBondContact N-O 2.77Å; A126-Q138 PolarHBondContact O-N 2.79Å
127A97.1Very high93.7Very high6 Ų674.9 Ų74.95%0.0539%0.385CS..EExtended strand (participates in β ladder)trans-135.1139.8178.600000110.4N110 A111 F125 F134 G136N110-A127 WeakPolarHBondContact CA-O 3.38Å; A111-A127 PolarHBondContact N-O 3.43Å; A111-A127 PolarHBondContact O-N 2.88Å; F125-A127 HydrophobicContact CE1-CB 3.89Å; F125-A127 HydrophobicContact CZ-CB 4.14Å; A127-F134 HydrophobicContact CB-CD1 4.28Å; A127-F134 HydrophobicContact CB-CE1 4.16Å; A127-G136 CarbonylContact C-O 3.58Å; A127-G136 WeakPolarHBondContact CA-O 3.31Å
128Q96.6Very high93.9Very high88 Ų8873.9 Ų73.941%0.41138%0.378SS..EExtended strand (participates in β ladder)trans-119120.2171.6-64.6-1766.600108.1L109 N110 F134 A135 G136L109-Q128 CarbonylContact O-C 3.5Å; L109-Q128 WeakPolarHBondContact O-CA 3.46Å; N110-Q128 PolarHBondContact ND2-NE2 3.45Å; Q128-F134 CarbonylContact O-C 3.54Å; Q128-A135 PolarHBondContact O-N 3.19Å; Q128-G136 PolarHBondContact N-O 2.77Å; Q128-G136 PolarHBondContact O-N 3.49Å
129I96.1Very high94.2Very high41 Ų4174.1 Ų74.121%0.2138%0.376CS..EExtended strand (participates in β ladder)trans-110.1124.9177.6-51.5-177.3000107.5N108 L109 K133 F134N108-I129 CarbonylContact C-O 3.46Å; N108-I129 VanDerWaalsContact CA-O 3.27Å; N108-I129 WeakPolarHBondContact CA-O 3.47Å; L109-I129 HydrophobicContact CB-CB 4.23Å; L109-I129 HydrophobicContact CD2-CD1 4.02Å; L109-I129 PolarHBondContact N-O 2.77Å; L109-I129 PolarHBondContact O-N 2.82Å; I129-K133 CarbonylContact C-O 3.54Å; I129-K133 VanDerWaalsContact CA-O 3.28Å; I129-K133 WeakPolarHBondContact CA-O 3.46Å; I129-K133 WeakPolarHBondContact CG2-O 3.39Å; I129-F134 HydrophobicContact CD1-CD1 4.34Å; I129-F134 HydrophobicContact CD1-CE1 3.78Å; I129-F134 HydrophobicContact CD1-CZ 4.11Å; I129-F134 HydrophobicContact CG1-CD1 3.88Å; I129-F134 HydrophobicContact CG1-CE1 3.83Å
130Q94.4Very high94.7Very high94 Ų9469.9 Ų69.944%0.43935%0.354SS..EExtended strand (participates in β ladder)trans-133.9137175.4-61.6-179.7-1.300108.3N108 N132 K133 A135N108-Q130 HydrophobicContact CB-CG 4.2Å; N108-Q130 WeakPolarHBondContact OD1-CA 3.41Å; N108-Q130 WeakPolarHBondContact OD1-CB 3.49Å; Q130-N132 PolarHBondContact O-N 2.76Å; Q130-N132 VanDerWaalsContact O-N 3.17Å; Q130-K133 PolarHBondContact N-O 3.29Å; Q130-K133 PolarHBondContact O-N 2.72Å; Q130-K133 VanDerWaalsContact O-O 3.07Å; Q130-A135 HydrophobicContact CB-CB 4.03Å; Q130-A135 HydrophobicContact CG-CB 3.91Å
131S90Very high95Very high104 Ų10467.2 Ų67.273%0.72735%0.349SS*.THydrogen-bonded Turntrans5042.3-179.5-57.90000113.4K133S131-K133 PolarHBondContact O-N 2.76Å
132N84.9Confident95Very high157 Ų15765.5 Ų65.584%0.8434%0.34SS*.THydrogen-bonded Turntrans58.920.5-176.9-59.4-30.1000115.5Q130Q130-N132 PolarHBondContact O-N 2.76Å; Q130-N132 VanDerWaalsContact O-N 3.17Å
133K90.7Very high95.1Very high160 Ų16068.3 Ų68.370%0.69635%0.351SS*.EExtended strand (participates in β ladder)trans-123.7149.3174.3-63.8-176.3-178.7-178.50110.2I129 Q130 S131 A135I129-K133 CarbonylContact C-O 3.54Å; I129-K133 VanDerWaalsContact CA-O 3.28Å; I129-K133 WeakPolarHBondContact CA-O 3.46Å; I129-K133 WeakPolarHBondContact CG2-O 3.39Å; Q130-K133 PolarHBondContact N-O 3.29Å; Q130-K133 PolarHBondContact O-N 2.72Å; Q130-K133 VanDerWaalsContact O-O 3.07Å; S131-K133 PolarHBondContact O-N 2.76Å; K133-A135 PolarHBondContact O-N 2.81Å
134F89.1Confident95Very high136 Ų13669.8 Ų69.860%0.59635%0.353SS*.EExtended strand (participates in β ladder)trans-70102.9169.8-72.1-81.2000109A127 Q128 I129 V137A127-F134 HydrophobicContact CB-CD1 4.28Å; A127-F134 HydrophobicContact CB-CE1 4.16Å; Q128-F134 CarbonylContact O-C 3.54Å; I129-F134 HydrophobicContact CD1-CD1 4.34Å; I129-F134 HydrophobicContact CD1-CE1 3.78Å; I129-F134 HydrophobicContact CD1-CZ 4.11Å; I129-F134 HydrophobicContact CG1-CD1 3.88Å; I129-F134 HydrophobicContact CG1-CE1 3.83Å; F134-V137 HydrophobicContact CB-CG2 4.01Å; F134-V137 HydrophobicContact CD1-CG2 3.77Å; F134-V137 HydrophobicContact CG-CG2 4.13Å
135A91.7Very high94.9Very high51 Ų5165.4 Ų65.442%0.42134%0.337SS..EExtended strand (participates in β ladder)trans-78.2-27176.100000111.7Q128 Q130 K133Q128-A135 PolarHBondContact O-N 3.19Å; Q130-A135 HydrophobicContact CB-CB 4.03Å; Q130-A135 HydrophobicContact CG-CB 3.91Å; K133-A135 PolarHBondContact O-N 2.81Å
136G93.9Very high94.7Very high13 Ų1364.1 Ų64.113%0.13434%0.338CS..EExtended strand (participates in β ladder)trans-159143.5172.100000112.7A127 Q128 N156A127-G136 CarbonylContact C-O 3.58Å; A127-G136 WeakPolarHBondContact CA-O 3.31Å; Q128-G136 PolarHBondContact N-O 2.77Å; Q128-G136 PolarHBondContact O-N 3.49Å; G136-N156 WeakPolarHBondContact CA-OD1 3.2Å
137V96.2Very high94.6Very high49 Ų4966.9 Ų66.930%0.29735%0.35SS..EExtended strand (participates in β ladder)trans-137132.2176.2179.90000108.5F125 A126 F134 N156F125-V137 HydrophobicContact CD2-CG1 4.47Å; F125-V137 HydrophobicContact CE2-CG1 3.52Å; F125-V137 HydrophobicContact CZ-CG1 3.9Å; A126-V137 CarbonylContact O-C 3.56Å; A126-V137 WeakPolarHBondContact O-CA 3.48Å; F134-V137 HydrophobicContact CB-CG2 4.01Å; F134-V137 HydrophobicContact CD1-CG2 3.77Å; F134-V137 HydrophobicContact CG-CG2 4.13Å; V137-N156 PolarHBondContact N-OD1 2.81Å; V137-N156 PolarHBondContact O-N 2.9Å; V137-N156 PolarHBondContact O-OD1 2.82Å
138Q97Very high94.6Very high70 Ų7069.4 Ų69.433%0.32736%0.36SS..EExtended strand (participates in β ladder)trans-133.6128.5178.7174.5173.21.100110.5F125 A126 T140 L154 V155F125-Q138 CarbonylContact C-O 3.53Å; F125-Q138 WeakPolarHBondContact CA-O 3.33Å; A126-Q138 HydrophobicContact CB-CB 4.36Å; A126-Q138 PolarHBondContact N-O 2.77Å; A126-Q138 PolarHBondContact O-N 2.79Å; Q138-T140 PolarHBondContact NE2-OG1 2.81Å; Q138-T140 VanDerWaalsContact NE2-OG1 3.09Å; Q138-L154 CarbonylContact C-O 3.6Å; Q138-L154 VanDerWaalsContact CA-O 3.26Å; Q138-L154 WeakPolarHBondContact CA-O 3.35Å; Q138-V155 HydrophobicContact CB-CG2 4.35Å; Q138-V155 HydrophobicContact CG-CG2 3.95Å
139L98Very high94.6Very high73 Ų7365.3 Ų65.338%0.38234%0.341SS..EExtended strand (participates in β ladder)trans-115.9114.1170.4177.766.6000108.6R124 F125 S153 L154R124-L139 CarbonylContact O-C 3.48Å; R124-L139 WeakPolarHBondContact O-CA 3.01Å; F125-L139 HydrophobicContact CB-CD1 4.48Å; F125-L139 HydrophobicContact CD2-CD1 4.49Å; L139-S153 CarbonylContact O-C 3.59Å; L139-S153 WeakPolarHBondContact O-CA 3.38Å; L139-L154 PolarHBondContact N-O 2.79Å; L139-L154 PolarHBondContact O-N 2.76Å
140T98.1Very high94.8Very high9 Ų964.8 Ų64.86%0.05534%0.343CS..EExtended strand (participates in β ladder)trans-112.7128.2177.9-62.30000109.9C123 R124 Q138 E142 A152 S153C123-T140 CarbonylContact C-O 3.56Å; C123-T140 WeakPolarHBondContact CA-O 3.09Å; R124-T140 PolarHBondContact N-O 2.83Å; R124-T140 PolarHBondContact O-N 2.97Å; Q138-T140 PolarHBondContact NE2-OG1 2.81Å; Q138-T140 VanDerWaalsContact NE2-OG1 3.09Å; T140-E142 HydrophobicContact CG2-CG 4.23Å; T140-A152 CarbonylContact C-O 3.57Å; T140-A152 WeakPolarHBondContact CA-O 3.49Å; T140-S153 WeakPolarHBondContact CB-OG 3.32Å; T140-S153 VanDerWaalsContact CG2-OG 3.28Å; T140-S153 WeakPolarHBondContact CG2-OG 3.24Å; T140-S153 WeakPolarHBondContact OG1-CB 3.46Å; T140-S153 PolarHBondContact OG1-OG 2.89Å
141T98.3Very high94.9Very high50 Ų5060.8 Ų60.831%0.30733%0.325SS..EExtended strand (participates in β ladder)trans-115.2126.7172.6-57.90000108.8L121 R122 S151 A152L121-T141 HydrophobicContact CD1-CG2 3.47Å; L121-T141 VanDerWaalsContact CD1-CG2 3.47Å; L121-T141 HydrophobicContact CG-CG2 4.39Å; R122-T141 CarbonylContact O-C 3.57Å; R122-T141 WeakPolarHBondContact O-CA 3.3Å; T141-S151 CarbonylContact O-C 3.4Å; T141-S151 WeakPolarHBondContact O-CA 3.43Å; T141-A152 PolarHBondContact N-O 3.32Å; T141-A152 PolarHBondContact O-N 3.49Å
142E97.4Very high95.3Very high16 Ų1657.8 Ų57.88%0.07531%0.307CS..EExtended strand (participates in β ladder)trans-114133.5178.1-51.5170.1-157.600109.4L33 L121 R122 T140 R144 A150L33-E142 HydrophobicContact CD2-CB 4.38Å; L33-E142 HydrophobicContact CD2-CG 3.91Å; L121-E142 WeakPolarHBondContact CA-O 3.44Å; R122-E142 HydrophobicContact CB-CB 4.22Å; R122-E142 PolarHBondContact N-O 3.44Å; R122-E142 PolarHBondContact O-N 2.83Å; T140-E142 HydrophobicContact CG2-CG 4.23Å; E142-R144 IonicContact OE2-CZ 3.41Å; E142-R144 IonicContact OE2-NE 3.19Å; E142-R144 PolarHBondContact OE2-NE 3.12Å; E142-R144 IonicContact OE2-NH2 2.77Å; E142-R144 PolarHBondContact OE2-NH2 3.26Å; E142-A150 CarbonylContact C-O 3.51Å; E142-A150 WeakPolarHBondContact CA-O 3.34Å
143Y97.3Very high95.9Very high92 Ų9250.4 Ų50.436%0.36127%0.268SS..EExtended strand (participates in β ladder)trans-117.6109.7173.2-173.1-104.8000109.6R120 L121 T145 F148 T149 A150R120-Y143 HydrophobicContact CB-CD2 4.09Å; R120-Y143 HydrophobicContact CB-CE2 3.69Å; R120-Y143 CarbonylContact O-C 3.58Å; R120-Y143 WeakPolarHBondContact O-CA 3.43Å; L121-Y143 HydrophobicContact CD1-CD2 4.31Å; Y143-T145 HydrophobicContact CD1-CG2 3.77Å; Y143-T145 HydrophobicContact CE1-CG2 3.27Å; Y143-F148 HydrophobicContact CD1-CE2 4.07Å; Y143-F148 HydrophobicContact CD1-CZ 4.35Å; Y143-F148 HydrophobicContact CE1-CE2 4.35Å; Y143-F148 HydrophobicContact CE1-CZ 4.17Å; Y143-T149 WeakPolarHBondContact O-CA 3.43Å; Y143-A150 PolarHBondContact N-O 2.82Å; Y143-A150 PolarHBondContact O-N 2.82Å
144R95.5Very high96.2Very high56 Ų5646.3 Ų46.321%0.21125%0.253CS..EExtended strand (participates in β ladder)trans-104133.6-177.6-64.3-179.4-173.9-155.2-1110.7F27 R120 E142 T149F27-R144 HydrophobicContact CD2-CB 4.36Å; F27-R144 WeakPolarHBondContact CE2-O 3.21Å; R120-R144 WeakPolarHBondContact CA-O 3.42Å; R120-R144 WeakPolarHBondContact CB-O 3.38Å; R120-R144 VanDerWaalsContact CG-O 3.26Å; R120-R144 WeakPolarHBondContact CG-O 3.49Å; R120-R144 PolarHBondContact O-N 3.02Å; E142-R144 IonicContact OE2-CZ 3.41Å; E142-R144 IonicContact OE2-NE 3.19Å; E142-R144 PolarHBondContact OE2-NE 3.12Å; E142-R144 IonicContact OE2-NH2 2.77Å; E142-R144 PolarHBondContact OE2-NH2 3.26Å; R144-T149 HydrophobicContact CG-CG2 3.83Å
145T94.6Very high96.5Very high8 Ų841.5 Ų41.55%0.04924%0.235CC..  trans-129.8175175.772.60000110.3N30 Y143 L147 F148N30-T145 WeakPolarHBondContact CB-O 3.29Å; N30-T145 PolarHBondContact ND2-O 2.74Å; Y143-T145 HydrophobicContact CD1-CG2 3.77Å; Y143-T145 HydrophobicContact CE1-CG2 3.27Å; T145-L147 PolarHBondContact O-N 3.4Å; T145-L147 VanDerWaalsContact O-N 3.15Å; T145-F148 HydrophobicContact CG2-CD1 4.24Å; T145-F148 HydrophobicContact CG2-CD2 4.38Å; T145-F148 HydrophobicContact CG2-CE1 3.65Å; T145-F148 HydrophobicContact CG2-CE2 3.82Å; T145-F148 HydrophobicContact CG2-CZ 3.42Å; T145-F148 VanDerWaalsContact CG2-CZ 3.42Å; T145-F148 PolarHBondContact N-O 2.85Å; T145-F148 WeakPolarHBondContact OG1-CD1 3.37Å; T145-F148 VanDerWaalsContact OG1-CE1 3.25Å; T145-F148 WeakPolarHBondContact OG1-CE1 3.49Å; T145-F148 WeakPolarHBondContact OG1-CG 3.21Å; T145-F148 PolarHBondContact OG1-N 3.2Å; T145-F148 VanDerWaalsContact OG1-N 3.09Å; T145-F148 PolarHBondContact OG1-O 2.59Å
146P94Very high96.6Very high58 Ų5843 Ų4338%0.37724%0.235SC..SBendtrans-55.9-30.8178.3-29.737000115.9F27 L29 N30F27-P146 HydrophobicContact CD1-CB 4.24Å; F27-P146 HydrophobicContact CD1-CG 3.71Å; F27-P146 HydrophobicContact CE1-CG 3.86Å; L29-P146 CarbonylContact C-O 3.55Å; N30-P146 PolarHBondContact N-O 2.77Å
147L95.6Very high96.4Very high74 Ų7445.9 Ų45.939%0.38725%0.247SC..SBendtrans-126.7-8.9-171.1-63.9177.4000114.5L29 T145 R172 R173L29-L147 HydrophobicContact CB-CD2 4.14Å; L29-L147 HydrophobicContact CD1-CD2 4.48Å; T145-L147 PolarHBondContact O-N 3.4Å; T145-L147 VanDerWaalsContact O-N 3.15Å; L147-R172 WeakPolarHBondContact O-CA 3.42Å; L147-R173 PolarHBondContact O-N 2.99Å
148F97.2Very high96.1Very high58 Ų5846 Ų4625%0.25425%0.246SC..EExtended strand (participates in β ladder)trans-147.8159.7176.575.3-94.8000112.2N30 Y143 T145 F170 L171 R172N30-F148 PolarHBondContact ND2-O 3.13Å; N30-F148 VanDerWaalsContact ND2-O 3.1Å; Y143-F148 HydrophobicContact CD1-CE2 4.07Å; Y143-F148 HydrophobicContact CD1-CZ 4.35Å; Y143-F148 HydrophobicContact CE1-CE2 4.35Å; Y143-F148 HydrophobicContact CE1-CZ 4.17Å; T145-F148 HydrophobicContact CG2-CD1 4.24Å; T145-F148 HydrophobicContact CG2-CD2 4.38Å; T145-F148 HydrophobicContact CG2-CE1 3.65Å; T145-F148 HydrophobicContact CG2-CE2 3.82Å; T145-F148 HydrophobicContact CG2-CZ 3.42Å; T145-F148 VanDerWaalsContact CG2-CZ 3.42Å; T145-F148 PolarHBondContact N-O 2.85Å; T145-F148 WeakPolarHBondContact OG1-CD1 3.37Å; T145-F148 VanDerWaalsContact OG1-CE1 3.25Å; T145-F148 WeakPolarHBondContact OG1-CE1 3.49Å; T145-F148 WeakPolarHBondContact OG1-CG 3.21Å; T145-F148 PolarHBondContact OG1-N 3.2Å; T145-F148 VanDerWaalsContact OG1-N 3.09Å; T145-F148 PolarHBondContact OG1-O 2.59Å; F148-F170 HydrophobicContact CB-CE2 4.09Å; F148-F170 HydrophobicContact CB-CZ 3.9Å; F148-F170 HydrophobicContact CD2-CD2 4.12Å; F148-F170 AromaticContact CD2-CE2 3.33Å; F148-F170 HydrophobicContact CD2-CE2 3.33Å; F148-F170 AromaticContact CD2-CZ 3.98Å; F148-F170 HydrophobicContact CD2-CZ 3.98Å; F148-F170 AromaticContact CE2-CE2 3.87Å; F148-F170 HydrophobicContact CE2-CE2 3.87Å; F148-F170 AromaticContact CG-CE2 3.79Å; F148-F170 HydrophobicContact CG-CE2 3.79Å; F148-F170 AromaticContact CG-CZ 3.94Å; F148-F170 HydrophobicContact CG-CZ 3.94Å; F148-L171 CarbonylContact C-O 3.54Å; F148-L171 WeakPolarHBondContact CA-O 3.4Å; F148-L171 WeakPolarHBondContact CB-O 3.35Å; F148-R172 HydrophobicContact CB-CB 3.88Å; F148-R172 HydrophobicContact CB-CG 4.15Å
149T97.9Very high95.5Very high2 Ų249.6 Ų49.61%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-128.8133.4170.4-53.60000108.9N30 G32 L33 Y143 R144 F170 L171N30-T149 PolarHBondContact ND2-OG1 3.04Å; N30-T149 PolarHBondContact OD1-OG1 3.43Å; G32-T149 WeakPolarHBondContact O-CB 3.34Å; G32-T149 PolarHBondContact O-OG1 3.06Å; L33-T149 HydrophobicContact CD2-CG2 3.61Å; L33-T149 HydrophobicContact CG-CG2 4.4Å; Y143-T149 WeakPolarHBondContact O-CA 3.43Å; R144-T149 HydrophobicContact CG-CG2 3.83Å; T149-F170 WeakPolarHBondContact O-CA 3.32Å; T149-L171 PolarHBondContact N-O 3.24Å; T149-L171 PolarHBondContact O-N 3.03Å
150A98.3Very high95Very high30 Ų3052.2 Ų52.225%0.24829%0.285CS..EExtended strand (participates in β ladder)trans-113.1145.9167.700000109E142 Y143 S169 F170E142-A150 CarbonylContact C-O 3.51Å; E142-A150 WeakPolarHBondContact CA-O 3.34Å; Y143-A150 PolarHBondContact N-O 2.82Å; Y143-A150 PolarHBondContact O-N 2.82Å; A150-S169 CarbonylContact C-O 3.51Å; A150-S169 VanDerWaalsContact CA-O 3.28Å; A150-S169 WeakPolarHBondContact CA-O 3.26Å; A150-F170 HydrophobicContact CB-CD2 4.07Å
151S97.9Very high94.5Very high11 Ų1156.5 Ų56.58%0.07731%0.308CS..EExtended strand (participates in β ladder)trans-137150.9167.372.30000111.3T141 C168 S169T141-S151 CarbonylContact O-C 3.4Å; T141-S151 WeakPolarHBondContact O-CA 3.43Å; S151-C168 CarbonylContact O-C 3.52Å; S151-C168 WeakPolarHBondContact O-CA 3.41Å; S151-S169 PolarHBondContact N-O 2.84Å; S151-S169 PolarHBondContact O-N 2.85Å; S151-S169 PolarHBondContact OG-OG 2.88Å
152A98.2Very high94Very high40 Ų4058.5 Ų58.533%0.33131%0.314SS..EExtended strand (participates in β ladder)trans-133.4128.4171.600000108.8T140 T141 T167T140-A152 CarbonylContact C-O 3.57Å; T140-A152 WeakPolarHBondContact CA-O 3.49Å; T141-A152 PolarHBondContact N-O 3.32Å; T141-A152 PolarHBondContact O-N 3.49Å; A152-T167 CarbonylContact C-O 3.48Å; A152-T167 WeakPolarHBondContact CA-O 3.4Å
153S97.4Very high93.8Very high3 Ų359.5 Ų59.52%0.02132%0.323CS..EExtended strand (participates in β ladder)trans-122.1119.1-178.3-66.70000109.7L139 T140 L166 T167L139-S153 CarbonylContact O-C 3.59Å; L139-S153 WeakPolarHBondContact O-CA 3.38Å; T140-S153 WeakPolarHBondContact CB-OG 3.32Å; T140-S153 VanDerWaalsContact CG2-OG 3.28Å; T140-S153 WeakPolarHBondContact CG2-OG 3.24Å; T140-S153 WeakPolarHBondContact OG1-CB 3.46Å; T140-S153 PolarHBondContact OG1-OG 2.89Å; S153-L166 CarbonylContact O-C 3.56Å; S153-L166 WeakPolarHBondContact O-CA 3.28Å; S153-T167 PolarHBondContact N-O 2.89Å; S153-T167 PolarHBondContact O-N 3.02Å
154L97Very high93.6Very high74 Ų7455.5 Ų55.539%0.38731%0.309SS..EExtended strand (participates in β ladder)trans-94.9123.4168.6-67.1171.1000108.1Q138 L139 I157 L166Q138-L154 CarbonylContact C-O 3.6Å; Q138-L154 VanDerWaalsContact CA-O 3.26Å; Q138-L154 WeakPolarHBondContact CA-O 3.35Å; L139-L154 PolarHBondContact N-O 2.79Å; L139-L154 PolarHBondContact O-N 2.76Å; L154-I157 HydrophobicContact CB-CD1 4.21Å; L154-I157 HydrophobicContact CB-CG1 3.84Å; L154-I157 HydrophobicContact CD2-CD1 3.93Å; L154-I157 HydrophobicContact CD2-CG1 4.21Å; L154-I157 HydrophobicContact CG-CG1 4.48Å; L154-L166 HydrophobicContact CD2-CB 4.34Å; L154-L166 HydrophobicContact CD2-CD1 3.72Å; L154-L166 HydrophobicContact CG-CD1 4.39Å
155V95.9Very high93.6Very high35 Ų3554.2 Ų54.221%0.21231%0.308CS..EExtended strand (participates in β ladder)trans-124.7126.4-175.9-177.70000109.2Q138 I157 C165Q138-V155 HydrophobicContact CB-CG2 4.35Å; Q138-V155 HydrophobicContact CG-CG2 3.95Å; V155-I157 VanDerWaalsContact C-N 3.3Å; V155-I157 PolarHBondContact O-N 2.9Å; V155-C165 HydrophobicContact CB-CB 4.24Å; V155-C165 PolarHBondContact N-O 2.85Å; V155-C165 PolarHBondContact O-N 3.43Å
156N92.6Very high93.7Very high81 Ų8156.7 Ų56.743%0.43332%0.321SS..EExtended strand (participates in β ladder)trans4947.1175.3-61.6-15000113.2G136 V137 D158 G164G136-N156 WeakPolarHBondContact CA-OD1 3.2Å; V137-N156 PolarHBondContact N-OD1 2.81Å; V137-N156 PolarHBondContact O-N 2.9Å; V137-N156 PolarHBondContact O-OD1 2.82Å; N156-D158 PolarHBondContact O-N 2.85Å; N156-G164 WeakPolarHBondContact O-CA 3.22Å
157I91Very high93.8Very high75 Ų7555.2 Ų55.239%0.38531%0.311SS..EExtended strand (participates in β ladder)trans-68.7114.2176.4-54.1-57.5000109L154 V155 L159 Y188L154-I157 HydrophobicContact CB-CD1 4.21Å; L154-I157 HydrophobicContact CB-CG1 3.84Å; L154-I157 HydrophobicContact CD2-CD1 3.93Å; L154-I157 HydrophobicContact CD2-CG1 4.21Å; L154-I157 HydrophobicContact CG-CG1 4.48Å; V155-I157 VanDerWaalsContact C-N 3.3Å; V155-I157 PolarHBondContact O-N 2.9Å; I157-L159 HydrophobicContact CG2-CD2 4.25Å; I157-L159 HydrophobicContact CG2-CG 4.45Å; I157-Y188 HydrophobicContact CD1-CE1 4.42Å
158D88.7Confident93.9Very high50 Ų5054 Ų5427%0.26731%0.308SS..EExtended strand (participates in β ladder)trans-120.9105.1175.2-169.3-23.2000108.9N156 V160 N161 E162 S163N156-D158 PolarHBondContact O-N 2.85Å; D158-V160 VanDerWaalsContact C-N 3.3Å; D158-V160 WeakPolarHBondContact OD1-CA 3.05Å; D158-V160 WeakPolarHBondContact OD1-CB 3.38Å; D158-V160 PolarHBondContact OD1-N 2.83Å; D158-N161 HydrophobicContact CB-CB 4.43Å; D158-N161 PolarHBondContact OD1-N 3.35Å; D158-N161 WeakPolarHBondContact OD2-CB 3.24Å; D158-N161 PolarHBondContact OD2-ND2 2.84Å; D158-E162 WeakPolarHBondContact O-CA 3.42Å; D158-E162 PolarHBondContact O-N 2.99Å; D158-E162 VanDerWaalsContact O-N 3.12Å; D158-S163 WeakPolarHBondContact CA-O 3.35Å; D158-S163 PolarHBondContact N-O 2.82Å; D158-S163 PolarHBondContact O-N 2.69Å
159L84.3Confident94Very high147 Ų14751.5 Ų51.577%0.7730%0.298SS*.THydrogen-bonded Turntrans-75.1-21.5178.5-63175.4000112.4I157I157-L159 HydrophobicContact CG2-CD2 4.25Å; I157-L159 HydrophobicContact CG2-CG 4.45Å
160V87.6Confident94Very high127 Ų12754.5 Ų54.577%0.7731%0.311SS*.THydrogen-bonded Turntrans-82.8-45.9-177.8179.80000110.1D158 E162D158-V160 VanDerWaalsContact C-N 3.3Å; D158-V160 WeakPolarHBondContact OD1-CA 3.05Å; D158-V160 WeakPolarHBondContact OD1-CB 3.38Å; D158-V160 PolarHBondContact OD1-N 2.83Å; V160-E162 VanDerWaalsContact C-N 3.28Å
161N87.1Confident94Very high100 Ų10053.1 Ų53.154%0.53530%0.299SS..THydrogen-bonded Turntrans-87.72.9177.4-65.4-51000113.3D158 S163D158-N161 HydrophobicContact CB-CB 4.43Å; D158-N161 PolarHBondContact OD1-N 3.35Å; D158-N161 WeakPolarHBondContact OD2-CB 3.24Å; D158-N161 PolarHBondContact OD2-ND2 2.84Å; N161-S163 VanDerWaalsContact C-N 3.35Å; N161-S163 PolarHBondContact O-N 3.13Å
162E88.4Confident94Very high92 Ų9258.3 Ų58.343%0.4332%0.317SS..THydrogen-bonded Turntrans48.755.7-176.9-65.6171.4-169.900111.5D158 V160 Y188 A189 R190D158-E162 WeakPolarHBondContact O-CA 3.42Å; D158-E162 PolarHBondContact O-N 2.99Å; D158-E162 VanDerWaalsContact O-N 3.12Å; V160-E162 VanDerWaalsContact C-N 3.28Å; E162-Y188 HydrophobicContact CB-CE2 4.47Å; E162-Y188 VanDerWaalsContact O-CD2 3.32Å; E162-Y188 WeakPolarHBondContact O-CD2 3.32Å; E162-Y188 WeakPolarHBondContact O-CE2 3.2Å; E162-A189 WeakPolarHBondContact O-CA 3.43Å; E162-R190 HydrophobicContact CB-CG 4.4Å; E162-R190 IonicContact OE1-CZ 2.84Å; E162-R190 IonicContact OE1-NH2 2.76Å; E162-R190 PolarHBondContact OE1-NH2 2.68Å; E162-R190 IonicContact OE2-CZ 3.13Å; E162-R190 IonicContact OE2-NE 2.65Å; E162-R190 PolarHBondContact OE2-NE 2.71Å; E162-R190 IonicContact OE2-NH2 3.55Å; E162-R190 PolarHBondContact OE2-NH2 3.09Å
163S92.4Very high94Very high37 Ų3758.6 Ų58.626%0.25931%0.31SS..EExtended strand (participates in β ladder)trans-137.8150.9176.470.60000113D158 N161 Y188D158-S163 WeakPolarHBondContact CA-O 3.35Å; D158-S163 PolarHBondContact N-O 2.82Å; D158-S163 PolarHBondContact O-N 2.69Å; N161-S163 VanDerWaalsContact C-N 3.35Å; N161-S163 PolarHBondContact O-N 3.13Å; S163-Y188 CarbonylContact C-O 3.59Å; S163-Y188 VanDerWaalsContact CA-O 3.22Å; S163-Y188 WeakPolarHBondContact CA-O 3.19Å; S163-Y188 PolarHBondContact O-OH 2.86Å
164G93.8Very high94Very high7 Ų762.9 Ų62.97%0.07234%0.335CS..EExtended strand (participates in β ladder)trans169165.6176.300000112.5N156 Y188N156-G164 WeakPolarHBondContact O-CA 3.22Å; G164-Y188 PolarHBondContact N-O 2.84Å; G164-Y188 WeakPolarHBondContact O-CD1 3.46Å; G164-Y188 PolarHBondContact O-N 3.33Å
165C95.1Very high93.9Very high29 Ų2962 Ų6220%0.19633%0.333CS..EExtended strand (participates in β ladder)trans-126.8134.2175.8-178.10000110.3V155 Y186 Q187V155-C165 HydrophobicContact CB-CB 4.24Å; V155-C165 PolarHBondContact N-O 2.85Å; V155-C165 PolarHBondContact O-N 3.43Å; C165-Y186 CarbonylContact C-O 3.54Å; C165-Y186 WeakPolarHBondContact CA-O 3.44Å; C165-Q187 HydrophobicContact CB-CG 4.47Å
166L96.5Very high93.8Very high60 Ų6065.6 Ų65.631%0.31436%0.357SS..EExtended strand (participates in β ladder)trans-113.8122.6170.8171.664.9000107.9S153 L154 Y186S153-L166 CarbonylContact O-C 3.56Å; S153-L166 WeakPolarHBondContact O-CA 3.28Å; L154-L166 HydrophobicContact CD2-CB 4.34Å; L154-L166 HydrophobicContact CD2-CD1 3.72Å; L154-L166 HydrophobicContact CG-CD1 4.39Å; L166-Y186 PolarHBondContact N-O 3.14Å; L166-Y186 PolarHBondContact O-N 2.85Å
167T96.9Very high94Very high27 Ų2764.5 Ų64.517%0.16635%0.351CS..EExtended strand (participates in β ladder)trans-114122.7170.7-53.20000109.2A152 S153 E183 C184A152-T167 CarbonylContact C-O 3.48Å; A152-T167 WeakPolarHBondContact CA-O 3.4Å; S153-T167 PolarHBondContact N-O 2.89Å; S153-T167 PolarHBondContact O-N 3.02Å; T167-E183 HydrophobicContact CG2-CG 4.06Å; T167-C184 CarbonylContact C-O 3.56Å; T167-C184 WeakPolarHBondContact CA-O 3.28Å
168C98.2Very high94.3Very high48 Ų4864 Ų6432%0.32435%0.349SS..EExtended strand (participates in β ladder)trans-113.7128176.2-67.20000108.7S151 E183 C184S151-C168 CarbonylContact O-C 3.52Å; S151-C168 WeakPolarHBondContact O-CA 3.41Å; C168-E183 CarbonylContact O-C 3.6Å; C168-E183 WeakPolarHBondContact O-CA 3.35Å; C168-C184 PolarHBondContact N-O 3Å; C168-C184 PolarHBondContact O-N 2.9Å
169S98Very high94.8Very high7 Ų761.8 Ų61.85%0.04934%0.337CS..EExtended strand (participates in β ladder)trans-123.5148.417484.20000111.9A150 S151 L182A150-S169 CarbonylContact C-O 3.51Å; A150-S169 VanDerWaalsContact CA-O 3.28Å; A150-S169 WeakPolarHBondContact CA-O 3.26Å; S151-S169 PolarHBondContact N-O 2.84Å; S151-S169 PolarHBondContact O-N 2.85Å; S151-S169 PolarHBondContact OG-OG 2.88Å; S169-L182 WeakPolarHBondContact CA-O 3.14Å
170F98.4Very high95.5Very high65 Ų6556.1 Ų56.129%0.28531%0.311SS..EExtended strand (participates in β ladder)trans-141.6125.6174.8-178.8-93.3000108.9F148 T149 A150 R172 G181 L182F148-F170 HydrophobicContact CB-CE2 4.09Å; F148-F170 HydrophobicContact CB-CZ 3.9Å; F148-F170 HydrophobicContact CD2-CD2 4.12Å; F148-F170 AromaticContact CD2-CE2 3.33Å; F148-F170 HydrophobicContact CD2-CE2 3.33Å; F148-F170 AromaticContact CD2-CZ 3.98Å; F148-F170 HydrophobicContact CD2-CZ 3.98Å; F148-F170 AromaticContact CE2-CE2 3.87Å; F148-F170 HydrophobicContact CE2-CE2 3.87Å; F148-F170 AromaticContact CG-CE2 3.79Å; F148-F170 HydrophobicContact CG-CE2 3.79Å; F148-F170 AromaticContact CG-CZ 3.94Å; F148-F170 HydrophobicContact CG-CZ 3.94Å; T149-F170 WeakPolarHBondContact O-CA 3.32Å; A150-F170 HydrophobicContact CB-CD2 4.07Å; F170-R172 HydrophobicContact CD1-CB 4.49Å; F170-R172 HydrophobicContact CE1-CB 3.63Å; F170-R172 HydrophobicContact CZ-CB 4.04Å; F170-G181 CarbonylContact O-C 3.53Å; F170-G181 WeakPolarHBondContact O-CA 3.2Å; F170-L182 HydrophobicContact CB-CD1 4.15Å; F170-L182 HydrophobicContact CB-CG 4.25Å; F170-L182 PolarHBondContact N-O 2.78Å; F170-L182 PolarHBondContact O-N 2.84Å
171L98.5Very high96Very high1 Ų150.5 Ų50.51%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-130.5127176.5-175.566.8000109.3P31 I37 F148 T149 D179P31-L171 HydrophobicContact CB-CD2 3.79Å; P31-L171 HydrophobicContact CB-CG 3.89Å; P31-L171 HydrophobicContact CG-CB 4.4Å; P31-L171 HydrophobicContact CG-CD2 4.22Å; P31-L171 HydrophobicContact CG-CG 3.95Å; P31-L171 WeakPolarHBondContact CG-O 3.29Å; I37-L171 HydrophobicContact CD1-CD1 4.49Å; F148-L171 CarbonylContact C-O 3.54Å; F148-L171 WeakPolarHBondContact CA-O 3.4Å; F148-L171 WeakPolarHBondContact CB-O 3.35Å; T149-L171 PolarHBondContact N-O 3.24Å; T149-L171 PolarHBondContact O-N 3.03Å; L171-D179 HydrophobicContact CD1-CB 4.11Å; L171-D179 HydrophobicContact CG-CB 4.44Å
172R98.1Very high96.5Very high120 Ų12049.4 Ų49.445%0.45327%0.273SS..EExtended strand (participates in β ladder)trans-127.8139.1-177.2174.4172.4-178.4142.80.8111L147 F148 F170 V174 D179 A180L147-R172 WeakPolarHBondContact O-CA 3.42Å; F148-R172 HydrophobicContact CB-CB 3.88Å; F148-R172 HydrophobicContact CB-CG 4.15Å; F170-R172 HydrophobicContact CD1-CB 4.49Å; F170-R172 HydrophobicContact CE1-CB 3.63Å; F170-R172 HydrophobicContact CZ-CB 4.04Å; R172-V174 PolarHBondContact O-N 2.89Å; R172-D179 CarbonylContact O-C 3.58Å; R172-D179 VanDerWaalsContact O-CA 3.28Å; R172-D179 WeakPolarHBondContact O-CA 3.39Å; R172-A180 PolarHBondContact N-O 3.05Å; R172-A180 PolarHBondContact O-N 3.22Å
173R97.7Very high97Very high46 Ų4647 Ų4717%0.17426%0.262CS..EExtended strand (participates in β ladder)trans-72.2113.2164.1-173.6152.9-66.2158.911.1109.9L29 L147 T175 D179L29-R173 PolarHBondContact O-NE 3.18Å; L29-R173 PolarHBondContact O-NH1 2.87Å; L147-R173 PolarHBondContact O-N 2.99Å; R173-T175 WeakPolarHBondContact CG-O 3.45Å; R173-D179 WeakPolarHBondContact CA-OD1 3.4Å; R173-D179 WeakPolarHBondContact CB-OD1 3.35Å; R173-D179 WeakPolarHBondContact CG-OD1 3.28Å; R173-D179 IonicContact CZ-OD1 3.6Å; R173-D179 IonicContact NE-OD1 2.88Å; R173-D179 PolarHBondContact NE-OD1 3.03Å; R173-D179 IonicContact NH2-OD1 3.43Å; R173-D179 PolarHBondContact NH2-OD1 3.24Å; R173-D179 IonicContact NH2-OD2 3.58Å
174V97.2Very high97.2Very high92 Ų9247.1 Ų47.156%0.55826%0.262SS*.  trans-93.3-42.5-178.3-178.70000110.5R172 I178 A180R172-V174 PolarHBondContact O-N 2.89Å; V174-I178 PolarHBondContact N-O 3.2Å; V174-A180 HydrophobicContact CG2-CB 3.68Å
175T95.9Very high97.3Very high55 Ų5548.3 Ų48.334%0.33727%0.272SS..SBendtrans-129170.6172.3770000108.9R173 N177 I178R173-T175 WeakPolarHBondContact CG-O 3.45Å; T175-N177 PolarHBondContact O-N 3.12Å; T175-N177 PolarHBondContact OG1-N 3.17Å; T175-I178 HydrophobicContact CG2-CB 4.44Å; T175-I178 HydrophobicContact CG2-CD1 4.36Å; T175-I178 PolarHBondContact N-O 3.21Å; T175-I178 VanDerWaalsContact N-O 3.13Å; T175-I178 PolarHBondContact O-N 3.21Å; T175-I178 VanDerWaalsContact OG1-CB 3.24Å; T175-I178 WeakPolarHBondContact OG1-CB 3.44Å; T175-I178 WeakPolarHBondContact OG1-CG1 3.12Å; T175-I178 PolarHBondContact OG1-N 3.04Å
176P94.5Very high97.4Very high111 Ų11150.6 Ų50.672%0.72128%0.277SS*.SBendtrans-52.8-29.6178.8-29.137.3000114.3
177N96.2Very high97.3Very high58 Ų5852.1 Ų52.131%0.3128%0.282SS..SBendtrans-116.4-6.5-173.8-56.4-14.1000113T175 Y206 T207 E208T175-N177 PolarHBondContact O-N 3.12Å; T175-N177 PolarHBondContact OG1-N 3.17Å; N177-Y206 HydrophobicContact CB-CD2 4.01Å; N177-Y206 HydrophobicContact CB-CE2 3.74Å; N177-Y206 CarbonylContact O-C 3.12Å; N177-Y206 VanDerWaalsContact O-CA 3.22Å; N177-Y206 WeakPolarHBondContact O-CA 3.33Å; N177-Y206 WeakPolarHBondContact O-CD2 3.39Å; N177-T207 WeakPolarHBondContact CB-O 3.26Å; N177-T207 PolarHBondContact O-N 3.29Å; N177-E208 HydrophobicContact CB-CG 4.06Å; N177-E208 WeakPolarHBondContact ND2-CG 3.34Å; N177-E208 PolarHBondContact ND2-OE1 2.76Å
178I97.8Very high97.1Very high66 Ų6653.7 Ų53.734%0.33829%0.285SS..EExtended strand (participates in β ladder)trans-119122.4-177.8-58.3169.5000110.3V174 T175 R205 Y206V174-I178 PolarHBondContact N-O 3.2Å; T175-I178 HydrophobicContact CG2-CB 4.44Å; T175-I178 HydrophobicContact CG2-CD1 4.36Å; T175-I178 PolarHBondContact N-O 3.21Å; T175-I178 VanDerWaalsContact N-O 3.13Å; T175-I178 PolarHBondContact O-N 3.21Å; T175-I178 VanDerWaalsContact OG1-CB 3.24Å; T175-I178 WeakPolarHBondContact OG1-CB 3.44Å; T175-I178 WeakPolarHBondContact OG1-CG1 3.12Å; T175-I178 PolarHBondContact OG1-N 3.04Å; I178-R205 CarbonylContact C-O 3.59Å; I178-R205 WeakPolarHBondContact CA-O 3.19Å; I178-Y206 HydrophobicContact CG1-CD2 3.81Å
179D98.3Very high96.8Very high2 Ų251.9 Ų51.91%0.01127%0.274CS..EExtended strand (participates in β ladder)trans-106.4136.9166.9-51-47.8000109.2P31 L171 R172 R173 L204 R205P31-D179 HydrophobicContact CB-CB 4.04Å; L171-D179 HydrophobicContact CD1-CB 4.11Å; L171-D179 HydrophobicContact CG-CB 4.44Å; R172-D179 CarbonylContact O-C 3.58Å; R172-D179 VanDerWaalsContact O-CA 3.28Å; R172-D179 WeakPolarHBondContact O-CA 3.39Å; R173-D179 WeakPolarHBondContact CA-OD1 3.4Å; R173-D179 WeakPolarHBondContact CB-OD1 3.35Å; R173-D179 WeakPolarHBondContact CG-OD1 3.28Å; R173-D179 IonicContact CZ-OD1 3.6Å; R173-D179 IonicContact NE-OD1 2.88Å; R173-D179 PolarHBondContact NE-OD1 3.03Å; R173-D179 IonicContact NH2-OD1 3.43Å; R173-D179 PolarHBondContact NH2-OD1 3.24Å; R173-D179 IonicContact NH2-OD2 3.58Å; D179-L204 CarbonylContact O-C 3.54Å; D179-L204 WeakPolarHBondContact O-CA 3.24Å; D179-R205 HydrophobicContact CB-CB 4.37Å; D179-R205 PolarHBondContact N-O 3.37Å; D179-R205 PolarHBondContact O-N 2.78Å; D179-R205 IonicContact OD2-CZ 2.64Å; D179-R205 IonicContact OD2-NE 3.03Å; D179-R205 PolarHBondContact OD2-NE 3.43Å; D179-R205 VanDerWaalsContact OD2-NE 3.13Å; D179-R205 IonicContact OD2-NH2 2.68Å; D179-R205 PolarHBondContact OD2-NH2 2.86Å
180A98.5Very high96.2Very high28 Ų2860 Ų6023%0.23130%0.304CS..EExtended strand (participates in β ladder)trans-130.9142.3177.300000110.2R172 V174 A203 L204R172-A180 PolarHBondContact N-O 3.05Å; R172-A180 PolarHBondContact O-N 3.22Å; V174-A180 HydrophobicContact CG2-CB 3.68Å; A180-A203 CarbonylContact C-O 3.55Å; A180-A203 WeakPolarHBondContact CA-O 3.41Å; A180-L204 HydrophobicContact CB-CD2 3.61Å
181G98.3Very high95.7Very high10 Ų1064.4 Ų64.410%0.10333%0.328CS..EExtended strand (participates in β ladder)trans-153.7172.6-17400000113.7F170 A203F170-G181 CarbonylContact O-C 3.53Å; F170-G181 WeakPolarHBondContact O-CA 3.2Å; G181-A203 PolarHBondContact N-O 3.42Å; G181-A203 PolarHBondContact O-N 3.43Å
182L98.1Very high95.2Very high77 Ų7765.7 Ų65.740%0.40334%0.335SS..EExtended strand (participates in β ladder)trans-141.5145.5178.554.694000109.3S169 F170 L200 N201S169-L182 WeakPolarHBondContact CA-O 3.14Å; F170-L182 HydrophobicContact CB-CD1 4.15Å; F170-L182 HydrophobicContact CB-CG 4.25Å; F170-L182 PolarHBondContact N-O 2.78Å; F170-L182 PolarHBondContact O-N 2.84Å; L182-L200 HydrophobicContact CB-CD1 4.31Å; L182-N201 CarbonylContact C-O 3.5Å; L182-N201 VanDerWaalsContact CA-O 3.27Å; L182-N201 WeakPolarHBondContact CA-O 3.36Å
183E97.8Very high94.5Very high42 Ų4266 Ų6620%0.19635%0.352CS..EExtended strand (participates in β ladder)trans-131121177.5-178.4-177.4-172.600108I34 T167 C168 L200 N201I34-E183 HydrophobicContact CD1-CB 3.86Å; I34-E183 HydrophobicContact CG2-CB 4.5Å; T167-E183 HydrophobicContact CG2-CG 4.06Å; C168-E183 CarbonylContact O-C 3.6Å; C168-E183 WeakPolarHBondContact O-CA 3.35Å; E183-L200 CarbonylContact O-C 3.57Å; E183-L200 WeakPolarHBondContact O-CA 3.19Å; E183-N201 HydrophobicContact CB-CB 4.35Å; E183-N201 PolarHBondContact N-O 3.49Å; E183-N201 PolarHBondContact O-N 2.87Å
184C97.8Very high94.1Very high38 Ų3867.6 Ų67.626%0.25738%0.383SS..EExtended strand (participates in β ladder)trans-111.6121.6176.7-176.90000108.5T167 C168 I199 L200T167-C184 CarbonylContact C-O 3.56Å; T167-C184 WeakPolarHBondContact CA-O 3.28Å; C168-C184 PolarHBondContact N-O 3Å; C168-C184 PolarHBondContact O-N 2.9Å; C184-I199 CarbonylContact C-O 3.56Å; C184-I199 WeakPolarHBondContact CA-O 3.32Å; C184-L200 HydrophobicContact CB-CD1 4.06Å
185A96.3Very high93.7Very high33 Ų3364.8 Ų64.827%0.27337%0.373SS..EExtended strand (participates in β ladder)trans-107.7122.4170.200000108.4S198 I199A185-S198 CarbonylContact O-C 3.5Å; A185-S198 VanDerWaalsContact O-CA 3.24Å; A185-S198 WeakPolarHBondContact O-CA 3.48Å; A185-S198 PolarHBondContact O-OG 2.96Å; A185-I199 PolarHBondContact N-O 2.88Å; A185-I199 PolarHBondContact O-N 2.84Å
186Y95.6Very high93.5Very high77 Ų7767.8 Ų67.830%0.30238%0.383SS..EExtended strand (participates in β ladder)trans-118.6119.5176.9175.3-96.7000109.1C165 L166 Y188 Q196C165-Y186 CarbonylContact C-O 3.54Å; C165-Y186 WeakPolarHBondContact CA-O 3.44Å; L166-Y186 PolarHBondContact N-O 3.14Å; L166-Y186 PolarHBondContact O-N 2.85Å; Y186-Y188 HydrophobicContact CE1-CD1 4.31Å; Y186-Q196 HydrophobicContact CE2-CB 3.87Å; Y186-Q196 HydrophobicContact CE2-CG 4.44Å; Y186-Q196 WeakPolarHBondContact OH-CB 3.07Å; Y186-Q196 PolarHBondContact OH-OE1 2.99Å
187Q95Very high93.4Very high92 Ų9267.2 Ų67.243%0.4337%0.369SS..EExtended strand (participates in β ladder)trans-115.3130.2177.5-168.7177.78.500109.2C165 I192 Q196 F197C165-Q187 HydrophobicContact CB-CG 4.47Å; Q187-I192 HydrophobicContact CB-CD1 4.08Å; Q187-I192 HydrophobicContact CG-CD1 3.69Å; Q187-Q196 CarbonylContact O-C 3.51Å; Q187-Q196 VanDerWaalsContact O-CA 3.3Å; Q187-Q196 WeakPolarHBondContact O-CA 3.44Å; Q187-F197 PolarHBondContact N-O 3.32Å; Q187-F197 PolarHBondContact O-N 2.79Å
188Y92.8Very high93.3Very high59 Ų5967.6 Ų67.623%0.23138%0.377CS..EExtended strand (participates in β ladder)trans-117135168.977.8-82.9000108.7I157 E162 S163 G164 Y186 G195I157-Y188 HydrophobicContact CD1-CE1 4.42Å; E162-Y188 HydrophobicContact CB-CE2 4.47Å; E162-Y188 VanDerWaalsContact O-CD2 3.32Å; E162-Y188 WeakPolarHBondContact O-CD2 3.32Å; E162-Y188 WeakPolarHBondContact O-CE2 3.2Å; S163-Y188 CarbonylContact C-O 3.59Å; S163-Y188 VanDerWaalsContact CA-O 3.22Å; S163-Y188 WeakPolarHBondContact CA-O 3.19Å; S163-Y188 PolarHBondContact O-OH 2.86Å; G164-Y188 PolarHBondContact N-O 2.84Å; G164-Y188 WeakPolarHBondContact O-CD1 3.46Å; G164-Y188 PolarHBondContact O-N 3.33Å; Y186-Y188 HydrophobicContact CE1-CD1 4.31Å; Y188-G195 WeakPolarHBondContact CA-O 3.28Å
189A91.6Very high93.1Very high10 Ų1066.2 Ų66.28%0.08337%0.369CS..  trans-167.8143.8174.600000109.2E162 I191 I192 G195E162-A189 WeakPolarHBondContact O-CA 3.43Å; A189-I191 HydrophobicContact CB-CG2 4.07Å; A189-I191 PolarHBondContact O-N 2.79Å; A189-I191 VanDerWaalsContact O-N 3.1Å; A189-I192 HydrophobicContact CB-CD1 3.92Å; A189-I192 HydrophobicContact CB-CG1 4.12Å; A189-I192 WeakPolarHBondContact O-CB 3.46Å; A189-I192 PolarHBondContact O-N 2.74Å; A189-G195 PolarHBondContact N-O 2.81Å
190R86.5Confident93.1Very high179 Ų17969.2 Ų69.268%0.67539%0.385SS*.THydrogen-bonded Turntrans-57.2-27.4177.5-70.3-178.3170.3-139.41.3114.4E162 I192E162-R190 HydrophobicContact CB-CG 4.4Å; E162-R190 IonicContact OE1-CZ 2.84Å; E162-R190 IonicContact OE1-NH2 2.76Å; E162-R190 PolarHBondContact OE1-NH2 2.68Å; E162-R190 IonicContact OE2-CZ 3.13Å; E162-R190 IonicContact OE2-NE 2.65Å; E162-R190 PolarHBondContact OE2-NE 2.71Å; E162-R190 IonicContact OE2-NH2 3.55Å; E162-R190 PolarHBondContact OE2-NH2 3.09Å; R190-I192 VanDerWaalsContact C-N 3.32Å
191I87.2Confident93Very high157 Ų15769.8 Ų69.881%0.80538%0.384SS*.THydrogen-bonded Turntrans-76.7-18.5179.8-164.8161.9000113.3A189A189-I191 HydrophobicContact CB-CG2 4.07Å; A189-I191 PolarHBondContact O-N 2.79Å; A189-I191 VanDerWaalsContact O-N 3.1Å
192I87.9Confident93Very high28 Ų2874.8 Ų74.814%0.14440%0.401CS..SBendtrans-76.5129.7178.9-65.6168.9000108.3Q187 A189 R190 G194 G195 F197Q187-I192 HydrophobicContact CB-CD1 4.08Å; Q187-I192 HydrophobicContact CG-CD1 3.69Å; A189-I192 HydrophobicContact CB-CD1 3.92Å; A189-I192 HydrophobicContact CB-CG1 4.12Å; A189-I192 WeakPolarHBondContact O-CB 3.46Å; A189-I192 PolarHBondContact O-N 2.74Å; R190-I192 VanDerWaalsContact C-N 3.32Å; I192-G194 PolarHBondContact O-N 2.82Å; I192-G194 VanDerWaalsContact O-N 3.13Å; I192-G195 WeakPolarHBondContact O-CA 3.34Å; I192-G195 PolarHBondContact O-N 2.86Å; I192-F197 HydrophobicContact CD1-CB 4.32Å; I192-F197 HydrophobicContact CG2-CB 3.91Å
193P84.4Confident93Very high126 Ų12671.2 Ų71.282%0.81838%0.382SS*.THydrogen-bonded Turntrans-55.6119.2172.8-25.234.7000111.1
194G87.4Confident93.1Very high80 Ų8072.8 Ų72.883%0.82539%0.392SS*.THydrogen-bonded Turntrans85.32.6-173.500000115.2I192 Q196I192-G194 PolarHBondContact O-N 2.82Å; I192-G194 VanDerWaalsContact O-N 3.13Å; G194-Q196 PolarHBondContact O-N 2.8Å
195G89.6Confident93.1Very high32 Ų3272.4 Ų72.433%0.3339%0.385SS..SBendtrans80-13.1173.800000115.6Y188 A189 I192Y188-G195 WeakPolarHBondContact CA-O 3.28Å; A189-G195 PolarHBondContact N-O 2.81Å; I192-G195 WeakPolarHBondContact O-CA 3.34Å; I192-G195 PolarHBondContact O-N 2.86Å
196Q91.9Very high93.2Very high118 Ų11874.2 Ų74.255%0.55139%0.385SS*.EExtended strand (participates in β ladder)trans-149.6152.5-175.365.7-174.821.100112.3Y186 Q187 G194Y186-Q196 HydrophobicContact CE2-CB 3.87Å; Y186-Q196 HydrophobicContact CE2-CG 4.44Å; Y186-Q196 WeakPolarHBondContact OH-CB 3.07Å; Y186-Q196 PolarHBondContact OH-OE1 2.99Å; Q187-Q196 CarbonylContact O-C 3.51Å; Q187-Q196 VanDerWaalsContact O-CA 3.3Å; Q187-Q196 WeakPolarHBondContact O-CA 3.44Å; G194-Q196 PolarHBondContact O-N 2.8Å
197F92.5Very high93.2Very high99 Ų9972.2 Ų72.243%0.43438%0.381SS..EExtended strand (participates in β ladder)trans-145.6139.1177.5177.9-108.5000109.9Q187 I192 I199Q187-F197 PolarHBondContact N-O 3.32Å; Q187-F197 PolarHBondContact O-N 2.79Å; I192-F197 HydrophobicContact CD1-CB 4.32Å; I192-F197 HydrophobicContact CG2-CB 3.91Å; F197-I199 HydrophobicContact CD1-CG1 4.36Å; F197-I199 HydrophobicContact CE1-CD1 3.33Å; F197-I199 HydrophobicContact CE1-CG1 3.42Å; F197-I199 VanDerWaalsContact CE1-CG1 3.42Å; F197-I199 HydrophobicContact CE2-CG1 4.49Å; F197-I199 HydrophobicContact CZ-CD1 3.55Å; F197-I199 HydrophobicContact CZ-CG1 3.49Å; F197-I199 VanDerWaalsContact CZ-CG1 3.49Å
198S93.6Very high93.1Very high67 Ų6772.3 Ų72.347%0.46938%0.381SS..EExtended strand (participates in β ladder)trans-136.1136.9-179.7-164.50000111A185A185-S198 CarbonylContact O-C 3.5Å; A185-S198 VanDerWaalsContact O-CA 3.24Å; A185-S198 WeakPolarHBondContact O-CA 3.48Å; A185-S198 PolarHBondContact O-OG 2.96Å
199I94.5Very high93.1Very high36 Ų3676.2 Ų76.219%0.18541%0.406CS..EExtended strand (participates in β ladder)trans-122.4138.3171.1-66.3174.5000108.6C184 A185 F197 N201 M219C184-I199 CarbonylContact C-O 3.56Å; C184-I199 WeakPolarHBondContact CA-O 3.32Å; A185-I199 PolarHBondContact N-O 2.88Å; A185-I199 PolarHBondContact O-N 2.84Å; F197-I199 HydrophobicContact CD1-CG1 4.36Å; F197-I199 HydrophobicContact CE1-CD1 3.33Å; F197-I199 HydrophobicContact CE1-CG1 3.42Å; F197-I199 VanDerWaalsContact CE1-CG1 3.42Å; F197-I199 HydrophobicContact CE2-CG1 4.49Å; F197-I199 HydrophobicContact CZ-CD1 3.55Å; F197-I199 HydrophobicContact CZ-CG1 3.49Å; F197-I199 VanDerWaalsContact CZ-CG1 3.49Å; I199-N201 WeakPolarHBondContact CG2-OD1 3.46Å; I199-M219 HydrophobicContact CD1-CG 3.96Å; I199-M219 HydrophobicContact CD1-SD 4.41Å
200L97.1Very high93.4Very high65 Ų6578.8 Ų78.834%0.3442%0.416SS..EExtended strand (participates in β ladder)trans-115.3123.9169.7-17767.8000109.3L182 E183 C184 Y202 P218L182-L200 HydrophobicContact CB-CD1 4.31Å; E183-L200 CarbonylContact O-C 3.57Å; E183-L200 WeakPolarHBondContact O-CA 3.19Å; C184-L200 HydrophobicContact CB-CD1 4.06Å; L200-Y202 HydrophobicContact CD2-CE1 4.3Å; L200-Y202 HydrophobicContact CD2-CE2 4.48Å; L200-Y202 WeakPolarHBondContact CD2-OH 3.26Å; L200-P218 WeakPolarHBondContact O-CD 3.28Å
201N97.5Very high93.9Very high41 Ų4170.4 Ų70.422%0.21938%0.384CS..EExtended strand (participates in β ladder)trans-112151.8173.1-62.6-35.4000109.8L182 E183 I199 F216L182-N201 CarbonylContact C-O 3.5Å; L182-N201 VanDerWaalsContact CA-O 3.27Å; L182-N201 WeakPolarHBondContact CA-O 3.36Å; E183-N201 HydrophobicContact CB-CB 4.35Å; E183-N201 PolarHBondContact N-O 3.49Å; E183-N201 PolarHBondContact O-N 2.87Å; I199-N201 WeakPolarHBondContact CG2-OD1 3.46Å; N201-F216 CarbonylContact C-O 3.58Å; N201-F216 WeakPolarHBondContact CA-O 3.45Å
202Y98.4Very high94.4Very high115 Ų11566.8 Ų66.845%0.45136%0.363SS..EExtended strand (participates in β ladder)trans-113.2145.4175-58.1-85.5000108.9L200 N215 F216L200-Y202 HydrophobicContact CD2-CE1 4.3Å; L200-Y202 HydrophobicContact CD2-CE2 4.48Å; L200-Y202 WeakPolarHBondContact CD2-OH 3.26Å; Y202-N215 CarbonylContact O-C 3.59Å; Y202-N215 VanDerWaalsContact O-CA 3.3Å; Y202-N215 WeakPolarHBondContact O-CA 3.28Å; Y202-F216 VanDerWaalsContact CB-CZ 3.44Å; Y202-F216 HydrophobicContact CD2-CD2 4.17Å; Y202-F216 AromaticContact CD2-CE2 3.83Å; Y202-F216 HydrophobicContact CD2-CE2 3.83Å; Y202-F216 AromaticContact CG-CE2 3.95Å; Y202-F216 HydrophobicContact CG-CE2 3.95Å; Y202-F216 HydrophobicContact CG-CZ 4.18Å; Y202-F216 PolarHBondContact N-O 2.85Å; Y202-F216 PolarHBondContact O-N 2.79Å
203A98.3Very high94.9Very high1 Ų165.6 Ų65.61%0.00836%0.357CS..EExtended strand (participates in β ladder)trans-130.7136.7-179.900000110.5I34 I37 A180 G181 S214 N215I34-A203 HydrophobicContact CD1-CB 3.43Å; I34-A203 VanDerWaalsContact CD1-CB 3.43Å; I34-A203 HydrophobicContact CG1-CB 3.61Å; I37-A203 HydrophobicContact CD1-CB 3.61Å; A180-A203 CarbonylContact C-O 3.55Å; A180-A203 WeakPolarHBondContact CA-O 3.41Å; G181-A203 PolarHBondContact N-O 3.42Å; G181-A203 PolarHBondContact O-N 3.43Å; A203-S214 CarbonylContact C-O 3.59Å; A203-S214 WeakPolarHBondContact CA-O 3.42Å; A203-N215 WeakPolarHBondContact CB-OD1 3.44Å
204L98.4Very high95.6Very high76 Ų7659.9 Ų59.940%0.39832%0.32SS..EExtended strand (participates in β ladder)trans-131.7140.8174.4-65.5172.1000109.3D179 A180 S213 S214 F216D179-L204 CarbonylContact O-C 3.54Å; D179-L204 WeakPolarHBondContact O-CA 3.24Å; A180-L204 HydrophobicContact CB-CD2 3.61Å; L204-S213 CarbonylContact O-C 3.56Å; L204-S213 VanDerWaalsContact O-CA 3.29Å; L204-S213 WeakPolarHBondContact O-CA 3.27Å; L204-S214 PolarHBondContact N-O 3.2Å; L204-S214 PolarHBondContact O-N 2.8Å; L204-F216 HydrophobicContact CD1-CE1 4.1Å; L204-F216 HydrophobicContact CD1-CZ 4.49Å; L204-F216 HydrophobicContact CG-CE1 4.31Å
205R98.3Very high96Very high29 Ų2957.4 Ų57.411%0.10929%0.288CS..EExtended strand (participates in β ladder)trans-137.5126.5170.4-178.2173.567.2-1620.5110.4P31 I37 I178 D179 F212 S213P31-R205 PolarHBondContact O-NH2 3.26Å; I37-R205 HydrophobicContact CD1-CB 3.93Å; I37-R205 HydrophobicContact CG1-CB 3.74Å; I37-R205 HydrophobicContact CG1-CG 4.39Å; I178-R205 CarbonylContact C-O 3.59Å; I178-R205 WeakPolarHBondContact CA-O 3.19Å; D179-R205 HydrophobicContact CB-CB 4.37Å; D179-R205 PolarHBondContact N-O 3.37Å; D179-R205 PolarHBondContact O-N 2.78Å; D179-R205 IonicContact OD2-CZ 2.64Å; D179-R205 IonicContact OD2-NE 3.03Å; D179-R205 PolarHBondContact OD2-NE 3.43Å; D179-R205 VanDerWaalsContact OD2-NE 3.13Å; D179-R205 IonicContact OD2-NH2 2.68Å; D179-R205 PolarHBondContact OD2-NH2 2.86Å; R205-F212 CarbonylContact C-O 3.6Å; R205-F212 VanDerWaalsContact CA-O 3.28Å; R205-F212 WeakPolarHBondContact CA-O 3.28Å; R205-S213 WeakPolarHBondContact CG-OG 3.4Å
206Y98Very high96.4Very high72 Ų7259.7 Ų59.728%0.28229%0.289SS..EExtended strand (participates in β ladder)trans-104.2132.8167.1178.3-108.8000109.4N177 I178 E208 F210 S211 F212N177-Y206 HydrophobicContact CB-CD2 4.01Å; N177-Y206 HydrophobicContact CB-CE2 3.74Å; N177-Y206 CarbonylContact O-C 3.12Å; N177-Y206 VanDerWaalsContact O-CA 3.22Å; N177-Y206 WeakPolarHBondContact O-CA 3.33Å; N177-Y206 WeakPolarHBondContact O-CD2 3.39Å; I178-Y206 HydrophobicContact CG1-CD2 3.81Å; Y206-E208 HydrophobicContact CE1-CG 4.14Å; Y206-E208 HydrophobicContact CE2-CG 4.17Å; Y206-E208 VanDerWaalsContact CZ-CD 3.46Å; Y206-E208 VanDerWaalsContact CZ-OE1 3.28Å; Y206-E208 PolarHBondContact OH-OE1 2.91Å; Y206-E208 PolarHBondContact OH-OE2 3.12Å; Y206-F210 AromaticContact CD1-CE2 3.74Å; Y206-F210 HydrophobicContact CD1-CE2 3.74Å; Y206-F210 AromaticContact CD1-CZ 3.86Å; Y206-F210 HydrophobicContact CD1-CZ 3.86Å; Y206-F210 HydrophobicContact CE1-CE1 4.14Å; Y206-F210 AromaticContact CE1-CE2 3.89Å; Y206-F210 HydrophobicContact CE1-CE2 3.89Å; Y206-F210 AromaticContact CE1-CZ 3.5Å; Y206-F210 HydrophobicContact CE1-CZ 3.5Å; Y206-F210 VanDerWaalsContact CE1-CZ 3.5Å; Y206-S211 CarbonylContact O-C 3.53Å; Y206-S211 VanDerWaalsContact O-CA 3.29Å; Y206-S211 WeakPolarHBondContact O-CA 3.35Å; Y206-F212 PolarHBondContact N-O 3.21Å; Y206-F212 PolarHBondContact O-N 2.87Å
207T96Very high96.6Very high34 Ų3454.6 Ų54.621%0.20927%0.268CS..EExtended strand (participates in β ladder)trans-137.3121.1-179.3-64.10000111.1N177 S211N177-T207 WeakPolarHBondContact CB-O 3.26Å; N177-T207 PolarHBondContact O-N 3.29Å; T207-S211 PolarHBondContact OG1-OG 2.87Å
208E93.8Very high96.7Very high95 Ų9553.8 Ų53.844%0.44427%0.273SS..SBendtrans-139.4-115.9167.2-70-172-175.100108.7N177 Y206 F210N177-E208 HydrophobicContact CB-CG 4.06Å; N177-E208 WeakPolarHBondContact ND2-CG 3.34Å; N177-E208 PolarHBondContact ND2-OE1 2.76Å; Y206-E208 HydrophobicContact CE1-CG 4.14Å; Y206-E208 HydrophobicContact CE2-CG 4.17Å; Y206-E208 VanDerWaalsContact CZ-CD 3.46Å; Y206-E208 VanDerWaalsContact CZ-OE1 3.28Å; Y206-E208 PolarHBondContact OH-OE1 2.91Å; Y206-E208 PolarHBondContact OH-OE2 3.12Å; E208-F210 VanDerWaalsContact C-N 3.29Å; E208-F210 CarbonylContact C-O 3.54Å; E208-F210 PolarHBondContact N-O 3.48Å
209N93.3Very high96.6Very high140 Ų14053.8 Ų53.875%0.74927%0.266SS*.SBendtrans-74.4-24.1172.2-63.4-28.1000112.3
210F96.6Very high96.6Very high65 Ų6552.7 Ų52.729%0.28526%0.264SS..EExtended strand (participates in β ladder)trans-121.1169.2170.565.9-88.1000109.1Y206 E208 F212 Y225 F226 H227Y206-F210 AromaticContact CD1-CE2 3.74Å; Y206-F210 HydrophobicContact CD1-CE2 3.74Å; Y206-F210 AromaticContact CD1-CZ 3.86Å; Y206-F210 HydrophobicContact CD1-CZ 3.86Å; Y206-F210 HydrophobicContact CE1-CE1 4.14Å; Y206-F210 AromaticContact CE1-CE2 3.89Å; Y206-F210 HydrophobicContact CE1-CE2 3.89Å; Y206-F210 AromaticContact CE1-CZ 3.5Å; Y206-F210 HydrophobicContact CE1-CZ 3.5Å; Y206-F210 VanDerWaalsContact CE1-CZ 3.5Å; E208-F210 VanDerWaalsContact C-N 3.29Å; E208-F210 CarbonylContact C-O 3.54Å; E208-F210 PolarHBondContact N-O 3.48Å; F210-F212 HydrophobicContact CE2-CB 4.31Å; F210-Y225 HydrophobicContact CB-CE2 3.87Å; F210-Y225 AromaticContact CD2-CD2 3.98Å; F210-Y225 HydrophobicContact CD2-CD2 3.98Å; F210-Y225 AromaticContact CD2-CE2 3.44Å; F210-Y225 HydrophobicContact CD2-CE2 3.44Å; F210-Y225 VanDerWaalsContact CD2-CE2 3.44Å; F210-Y225 HydrophobicContact CE2-CE2 4.11Å; F210-Y225 AromaticContact CG-CE2 3.78Å; F210-Y225 HydrophobicContact CG-CE2 3.78Å; F210-F226 CarbonylContact C-O 3.51Å; F210-F226 WeakPolarHBondContact CA-O 3.39Å; F210-F226 WeakPolarHBondContact CB-O 3.2Å; F210-H227 HydrophobicContact CB-CB 4.28Å
211S97.1Very high96.7Very high2 Ų251.3 Ų51.31%0.01426%0.258CS..EExtended strand (participates in β ladder)trans-125.3124.8173.7-169.90000109Y206 T207 Y225 F226Y206-S211 CarbonylContact O-C 3.53Å; Y206-S211 VanDerWaalsContact O-CA 3.29Å; Y206-S211 WeakPolarHBondContact O-CA 3.35Å; T207-S211 PolarHBondContact OG1-OG 2.87Å; S211-Y225 CarbonylContact O-C 3.53Å; S211-Y225 WeakPolarHBondContact O-CA 3.38Å; S211-F226 PolarHBondContact N-O 2.72Å; S211-F226 PolarHBondContact O-N 2.63Å
212F98.3Very high96.7Very high82 Ų8253 Ų5336%0.3626%0.261SS..EExtended strand (participates in β ladder)trans-111.5125.2169.2-179.7-98.1000108.2R205 Y206 F210 L223 T224R205-F212 CarbonylContact C-O 3.6Å; R205-F212 VanDerWaalsContact CA-O 3.28Å; R205-F212 WeakPolarHBondContact CA-O 3.28Å; Y206-F212 PolarHBondContact N-O 3.21Å; Y206-F212 PolarHBondContact O-N 2.87Å; F210-F212 HydrophobicContact CE2-CB 4.31Å; F212-L223 HydrophobicContact CE2-CB 4.48Å; F212-L223 HydrophobicContact CZ-CB 4.47Å; F212-L223 HydrophobicContact CZ-CD2 4.07Å; F212-T224 CarbonylContact C-O 3.55Å; F212-T224 WeakPolarHBondContact CA-O 3.48Å
213S98.3Very high96.7Very high2 Ų250 Ų501%0.01425%0.253CS..EExtended strand (participates in β ladder)trans-127.8143179.2-51.30000110.2I37 L204 R205 T224I37-S213 WeakPolarHBondContact O-CB 3.48Å; I37-S213 PolarHBondContact O-OG 2.96Å; L204-S213 CarbonylContact O-C 3.56Å; L204-S213 VanDerWaalsContact O-CA 3.29Å; L204-S213 WeakPolarHBondContact O-CA 3.27Å; R205-S213 WeakPolarHBondContact CG-OG 3.4Å; S213-T224 WeakPolarHBondContact CB-OG1 3.4Å; S213-T224 PolarHBondContact N-O 3.43Å; S213-T224 PolarHBondContact O-N 2.86Å; S213-T224 PolarHBondContact O-OG1 2.79Å
214S98.2Very high96.7Very high7 Ų750.1 Ų50.15%0.04925%0.253CS..EExtended strand (participates in β ladder)trans-135143.3173.469.30000111.8A203 L204 R222A203-S214 CarbonylContact C-O 3.59Å; A203-S214 WeakPolarHBondContact CA-O 3.42Å; L204-S214 PolarHBondContact N-O 3.2Å; L204-S214 PolarHBondContact O-N 2.8Å; S214-R222 CarbonylContact C-O 3.59Å; S214-R222 WeakPolarHBondContact CA-O 3.48Å
215N96.8Very high96.7Very high28 Ų2850.6 Ų50.615%0.1525%0.251CS..EExtended strand (participates in β ladder)trans-122.5130.8160-85.243000107.7I37 H38 Y202 A203 V221 R222I37-N215 VanDerWaalsContact CG2-OD1 3.23Å; I37-N215 WeakPolarHBondContact CG2-OD1 3.4Å; H38-N215 PolarHBondContact NE2-OD1 3.46Å; Y202-N215 CarbonylContact O-C 3.59Å; Y202-N215 VanDerWaalsContact O-CA 3.3Å; Y202-N215 WeakPolarHBondContact O-CA 3.28Å; A203-N215 WeakPolarHBondContact CB-OD1 3.44Å; N215-V221 CarbonylContact O-C 3.57Å; N215-V221 WeakPolarHBondContact O-CA 3.4Å; N215-R222 PolarHBondContact N-O 2.78Å; N215-R222 PolarHBondContact O-N 2.8Å
216F97.3Very high96.7Very high79 Ų7950.4 Ų50.435%0.34625%0.251SS..EExtended strand (participates in β ladder)trans-145.2148.5179.158.4-84.1000111.2N201 Y202 L204 G220 V221N201-F216 CarbonylContact C-O 3.58Å; N201-F216 WeakPolarHBondContact CA-O 3.45Å; Y202-F216 VanDerWaalsContact CB-CZ 3.44Å; Y202-F216 HydrophobicContact CD2-CD2 4.17Å; Y202-F216 AromaticContact CD2-CE2 3.83Å; Y202-F216 HydrophobicContact CD2-CE2 3.83Å; Y202-F216 AromaticContact CG-CE2 3.95Å; Y202-F216 HydrophobicContact CG-CE2 3.95Å; Y202-F216 HydrophobicContact CG-CZ 4.18Å; Y202-F216 PolarHBondContact N-O 2.85Å; Y202-F216 PolarHBondContact O-N 2.79Å; L204-F216 HydrophobicContact CD1-CE1 4.1Å; L204-F216 HydrophobicContact CD1-CZ 4.49Å; L204-F216 HydrophobicContact CG-CE1 4.31Å; F216-G220 WeakPolarHBondContact CA-O 3.44Å; F216-V221 HydrophobicContact CB-CB 4Å; F216-V221 HydrophobicContact CB-CG2 3.85Å
217G96.1Very high96.7Very high11 Ų1148.8 Ų48.811%0.11325%0.245CC..EExtended strand (participates in β ladder)trans-165.6-168.9178.800000110.7M219 G220 W243G217-M219 PolarHBondContact O-N 2.84Å; G217-M219 VanDerWaalsContact O-N 3.08Å; G217-G220 PolarHBondContact N-O 2.7Å; G217-G220 PolarHBondContact O-N 2.91Å; G217-W243 WeakPolarHBondContact O-CZ3 3.33Å
218P94.2Very high96.7Very high82 Ų8252 Ų5253%0.53226%0.257SS..THydrogen-bonded Turntrans-59.7-22.4-177.6-25.134.4000114.6L200L200-P218 WeakPolarHBondContact O-CD 3.28Å
219M91.3Very high96.7Very high68 Ų6853.1 Ų53.134%0.33526%0.262SS..THydrogen-bonded Turntrans-96.5-10.8-173.5-52.7-73.472.600113.7I199 G217 W243 N244I199-M219 HydrophobicContact CD1-CG 3.96Å; I199-M219 HydrophobicContact CD1-SD 4.41Å; G217-M219 PolarHBondContact O-N 2.84Å; G217-M219 VanDerWaalsContact O-N 3.08Å; M219-W243 PolarHBondContact O-N 3.07Å; M219-N244 WeakPolarHBondContact CE-OD1 3.41Å; M219-N244 PolarHBondContact SD-ND2 3.17Å
220G96Very high96.7Very high13 Ų1351.9 Ų51.913%0.13425%0.251CS..EExtended strand (participates in β ladder)trans154.8-170.9-175.600000114.3F216 G217 S241F216-G220 WeakPolarHBondContact CA-O 3.44Å; G217-G220 PolarHBondContact N-O 2.7Å; G217-G220 PolarHBondContact O-N 2.91Å; G220-S241 CarbonylContact C-O 3.54Å; G220-S241 WeakPolarHBondContact CA-O 3.4Å
221V97.7Very high96.5Very high35 Ų3553.7 Ų53.721%0.21227%0.27CS..EExtended strand (participates in β ladder)trans-141.8140.1179.1580000110.7N215 F216 L223 S241 W243N215-V221 CarbonylContact O-C 3.57Å; N215-V221 WeakPolarHBondContact O-CA 3.4Å; F216-V221 HydrophobicContact CB-CB 4Å; F216-V221 HydrophobicContact CB-CG2 3.85Å; V221-L223 HydrophobicContact CG2-CD2 3.61Å; V221-L223 HydrophobicContact CG2-CG 3.91Å; V221-S241 PolarHBondContact N-O 2.78Å; V221-S241 PolarHBondContact O-N 2.77Å; V221-W243 HydrophobicContact CG1-CZ2 4.33Å
222R97.8Very high96.4Very high77 Ų7757 Ų5729%0.29129%0.287SS..EExtended strand (participates in β ladder)trans-119.7121.3170.9-175.6178.6-174.815112.6108.3S214 N215 E238 L239S214-R222 CarbonylContact C-O 3.59Å; S214-R222 WeakPolarHBondContact CA-O 3.48Å; N215-R222 PolarHBondContact N-O 2.78Å; N215-R222 PolarHBondContact O-N 2.8Å; R222-E238 IonicContact CZ-OE1 3.17Å; R222-E238 IonicContact NE-OE1 3.34Å; R222-E238 PolarHBondContact NE-OE1 2.82Å; R222-E238 IonicContact NH2-OE1 2.87Å; R222-E238 PolarHBondContact NH2-OE1 3.46Å; R222-E238 IonicContact NH2-OE2 3.88Å; R222-L239 CarbonylContact C-O 3.58Å; R222-L239 WeakPolarHBondContact CA-O 3.33Å
223L98.4Very high96.4Very high53 Ų5355.2 Ų55.228%0.27728%0.281SS..EExtended strand (participates in β ladder)trans-116.3134.7175.2-54.5-179.1000108.6F212 V221 E238 L239F212-L223 HydrophobicContact CE2-CB 4.48Å; F212-L223 HydrophobicContact CZ-CB 4.47Å; F212-L223 HydrophobicContact CZ-CD2 4.07Å; V221-L223 HydrophobicContact CG2-CD2 3.61Å; V221-L223 HydrophobicContact CG2-CG 3.91Å; L223-E238 CarbonylContact O-C 3.55Å; L223-E238 WeakPolarHBondContact O-CA 3.4Å; L223-L239 HydrophobicContact CB-CB 4.38Å; L223-L239 HydrophobicContact CD1-CD2 4.24Å; L223-L239 PolarHBondContact N-O 3.48Å; L223-L239 PolarHBondContact O-N 2.86Å
224T98.4Very high96.3Very high3 Ų356.4 Ų56.42%0.01829%0.287CS..EExtended strand (participates in β ladder)trans-132.6136.9173.861.60000110.9H38 C41 F212 S213 V237 E238H38-T224 HydrophobicContact CB-CG2 4.15Å; H38-T224 WeakPolarHBondContact ND1-CG2 3.28Å; H38-T224 PolarHBondContact ND1-OG1 2.8Å; C41-T224 HydrophobicContact CB-CG2 4.14Å; F212-T224 CarbonylContact C-O 3.55Å; F212-T224 WeakPolarHBondContact CA-O 3.48Å; S213-T224 WeakPolarHBondContact CB-OG1 3.4Å; S213-T224 PolarHBondContact N-O 3.43Å; S213-T224 PolarHBondContact O-N 2.86Å; S213-T224 PolarHBondContact O-OG1 2.79Å; T224-V237 CarbonylContact C-O 3.59Å; T224-V237 VanDerWaalsContact CA-O 3.24Å; T224-V237 WeakPolarHBondContact CA-O 3.29Å; T224-E238 HydrophobicContact CG2-CB 4.15Å; T224-E238 HydrophobicContact CG2-CG 3.98Å; T224-E238 WeakPolarHBondContact CG2-OE1 3.24Å
225Y98.6Very high96.4Very high86 Ų8658.6 Ų58.634%0.33730%0.295SS..EExtended strand (participates in β ladder)trans-117.6127.4170.9174.5-91.1000108.9F210 S211 H227 G236 V237F210-Y225 HydrophobicContact CB-CE2 3.87Å; F210-Y225 AromaticContact CD2-CD2 3.98Å; F210-Y225 HydrophobicContact CD2-CD2 3.98Å; F210-Y225 AromaticContact CD2-CE2 3.44Å; F210-Y225 HydrophobicContact CD2-CE2 3.44Å; F210-Y225 VanDerWaalsContact CD2-CE2 3.44Å; F210-Y225 HydrophobicContact CE2-CE2 4.11Å; F210-Y225 AromaticContact CG-CE2 3.78Å; F210-Y225 HydrophobicContact CG-CE2 3.78Å; S211-Y225 CarbonylContact O-C 3.53Å; S211-Y225 WeakPolarHBondContact O-CA 3.38Å; Y225-H227 HydrophobicContact CD1-CB 4.46Å; Y225-H227 HydrophobicContact CE1-CB 3.53Å; Y225-G236 CarbonylContact O-C 3.51Å; Y225-G236 WeakPolarHBondContact O-CA 3.43Å; Y225-V237 HydrophobicContact CD1-CG2 4.5Å; Y225-V237 PolarHBondContact N-O 3.21Å; Y225-V237 PolarHBondContact O-N 2.9Å
226F98.5Very high96.4Very high25 Ų2557.3 Ų57.311%0.1129%0.288CS..EExtended strand (participates in β ladder)trans-122134.7175.8165.6-92.6000109.4K40 C41 V44 F210 S211 K228 Q234 F235K40-F226 HydrophobicContact CB-CB 4.16Å; K40-F226 HydrophobicContact CB-CD1 3.92Å; K40-F226 HydrophobicContact CB-CD2 4.12Å; K40-F226 HydrophobicContact CB-CE1 4.35Å; K40-F226 HydrophobicContact CB-CG 3.78Å; K40-F226 HydrophobicContact CD-CD1 4.02Å; K40-F226 HydrophobicContact CD-CE1 4.21Å; K40-F226 WeakPolarHBondContact O-CD2 3.5Å; K40-F226 WeakPolarHBondContact O-CE2 3.34Å; C41-F226 HydrophobicContact CB-CB 4.25Å; V44-F226 HydrophobicContact CG2-CD2 3.71Å; V44-F226 HydrophobicContact CG2-CE2 3.68Å; F210-F226 CarbonylContact C-O 3.51Å; F210-F226 WeakPolarHBondContact CA-O 3.39Å; F210-F226 WeakPolarHBondContact CB-O 3.2Å; S211-F226 PolarHBondContact N-O 2.72Å; S211-F226 PolarHBondContact O-N 2.63Å; F226-K228 HydrophobicContact CE1-CB 4.25Å; F226-K228 HydrophobicContact CZ-CB 4.08Å; F226-Q234 HydrophobicContact CE2-CB 4.1Å; F226-Q234 HydrophobicContact CE2-CG 4.44Å; F226-Q234 HydrophobicContact CZ-CB 4.41Å; F226-F235 WeakPolarHBondContact CA-O 3.31Å
227H97.6Very high96.5Very high37 Ų3756.4 Ų56.417%0.17129%0.289CS..EExtended strand (participates in β ladder)trans-143.5128177.3-17563.7000111.6F210 Y225 Q229 Q234 F235F210-H227 HydrophobicContact CB-CB 4.28Å; Y225-H227 HydrophobicContact CD1-CB 4.46Å; Y225-H227 HydrophobicContact CE1-CB 3.53Å; H227-Q229 PolarHBondContact CD2-OE1 2.85Å; H227-Q229 PolarHBondContact NE2-OE1 2.81Å; H227-Q234 WeakPolarHBondContact O-CA 3.18Å; H227-F235 PolarHBondContact N-O 3.37Å; H227-F235 PolarHBondContact O-N 2.87Å
228K96.4Very high96.6Very high103 Ų10357 Ų5745%0.44829%0.289SS..EExtended strand (participates in β ladder)trans-100.396.6175.5-172.7165.8-173.6173.40109.2F226 Q230 P231 Q234F226-K228 HydrophobicContact CE1-CB 4.25Å; F226-K228 HydrophobicContact CZ-CB 4.08Å; K228-Q230 VanDerWaalsContact CE-O 3.32Å; K228-Q230 WeakPolarHBondContact CE-O 3.38Å; K228-Q230 WeakPolarHBondContact CG-O 2.91Å; K228-P231 WeakPolarHBondContact CE-O 3.12Å; K228-P231 PolarHBondContact NZ-O 2.89Å; K228-P231 VanDerWaalsContact NZ-O 3.1Å; K228-Q234 HydrophobicContact CB-CB 4.32Å; K228-Q234 HydrophobicContact CG-CB 4.23Å
229Q93.4Very high96.8Very high118 Ų11856.3 Ų56.355%0.55128%0.28SS*.EExtended strand (participates in β ladder)trans-74.3-37.6-176.2-175.96317.400112.4H227 L233 F235H227-Q229 PolarHBondContact CD2-OE1 2.85Å; H227-Q229 PolarHBondContact NE2-OE1 2.81Å; Q229-L233 PolarHBondContact N-O 3.34Å; Q229-L233 VanDerWaalsContact N-O 3.09Å; Q229-F235 HydrophobicContact CB-CD2 4.22Å; Q229-F235 HydrophobicContact CB-CE2 3.86Å
230Q93.4Very high97.1Very high113 Ų11357.1 Ų57.153%0.52828%0.283SS..EExtended strand (participates in β ladder)trans-137.6162.5177.4-65.5-175.9-16.300109.8K228 N232 L233K228-Q230 VanDerWaalsContact CE-O 3.32Å; K228-Q230 WeakPolarHBondContact CE-O 3.38Å; K228-Q230 WeakPolarHBondContact CG-O 2.91Å; Q230-N232 PolarHBondContact O-N 2.83Å; Q230-L233 HydrophobicContact CB-CB 4.04Å; Q230-L233 PolarHBondContact N-O 2.87Å; Q230-L233 PolarHBondContact O-N 2.81Å; Q230-L233 VanDerWaalsContact O-N 3.08Å
231P92.5Very high97.2Very high104 Ų10457.2 Ų57.268%0.67528%0.282SS*.THydrogen-bonded Turntrans-50.1-32.4175-29.936.8000113.7K228K228-P231 WeakPolarHBondContact CE-O 3.12Å; K228-P231 PolarHBondContact NZ-O 2.89Å; K228-P231 VanDerWaalsContact NZ-O 3.1Å
232N95.5Very high97.1Very high71 Ų7158.4 Ų58.438%0.3829%0.287SS..THydrogen-bonded Turntrans-109.53.1-175.1-65.6-12000114Q230 A256 D257Q230-N232 PolarHBondContact O-N 2.83Å; N232-A256 CarbonylContact O-C 3.56Å; N232-A256 WeakPolarHBondContact O-CA 3.23Å; N232-D257 HydrophobicContact CB-CB 4.45Å; N232-D257 WeakPolarHBondContact CB-O 3.42Å; N232-D257 PolarHBondContact O-N 2.86Å
233L97.4Very high96.9Very high45 Ų4561.4 Ų61.424%0.23630%0.299CS..EExtended strand (participates in β ladder)trans-140.9121.6-176.1-173.465.7000110.7Q229 Q230 F235 Y254 Q255 A256Q229-L233 PolarHBondContact N-O 3.34Å; Q229-L233 VanDerWaalsContact N-O 3.09Å; Q230-L233 HydrophobicContact CB-CB 4.04Å; Q230-L233 PolarHBondContact N-O 2.87Å; Q230-L233 PolarHBondContact O-N 2.81Å; Q230-L233 VanDerWaalsContact O-N 3.08Å; L233-F235 HydrophobicContact CD1-CZ 4.11Å; L233-F235 HydrophobicContact CD2-CE2 3.9Å; L233-F235 HydrophobicContact CD2-CZ 3.68Å; L233-F235 HydrophobicContact CG-CE2 3.8Å; L233-F235 HydrophobicContact CG-CZ 3.75Å; L233-Y254 HydrophobicContact CD1-CD2 4.36Å; L233-Q255 WeakPolarHBondContact CA-O 3.13Å; L233-A256 HydrophobicContact CD1-CB 3.97Å
234Q97.9Very high96.5Very high27 Ų2764.1 Ų64.113%0.12631%0.314CS..EExtended strand (participates in β ladder)trans-139153.9-179.760.8-175.123.700111.4V44 F226 H227 K228 Y254 Q255V44-Q234 HydrophobicContact CG1-CG 4.47Å; V44-Q234 HydrophobicContact CG2-CG 4.07Å; F226-Q234 HydrophobicContact CE2-CB 4.1Å; F226-Q234 HydrophobicContact CE2-CG 4.44Å; F226-Q234 HydrophobicContact CZ-CB 4.41Å; H227-Q234 WeakPolarHBondContact O-CA 3.18Å; K228-Q234 HydrophobicContact CB-CB 4.32Å; K228-Q234 HydrophobicContact CG-CB 4.23Å; Q234-Y254 CarbonylContact O-C 3.47Å; Q234-Y254 VanDerWaalsContact O-CA 3.26Å; Q234-Y254 WeakPolarHBondContact O-CA 3.22Å; Q234-Q255 HydrophobicContact CG-CB 3.74Å; Q234-Q255 HydrophobicContact CG-CG 4.47Å; Q234-Q255 PolarHBondContact N-O 2.84Å; Q234-Q255 PolarHBondContact O-N 2.66Å
235F98.4Very high96.2Very high53 Ų5366.3 Ų66.323%0.23233%0.332CS..EExtended strand (participates in β ladder)trans-128.9145.7-173.4-60-81.6000110.5F226 H227 Q229 L233 F252 A253F226-F235 WeakPolarHBondContact CA-O 3.31Å; H227-F235 PolarHBondContact N-O 3.37Å; H227-F235 PolarHBondContact O-N 2.87Å; Q229-F235 HydrophobicContact CB-CD2 4.22Å; Q229-F235 HydrophobicContact CB-CE2 3.86Å; L233-F235 HydrophobicContact CD1-CZ 4.11Å; L233-F235 HydrophobicContact CD2-CE2 3.9Å; L233-F235 HydrophobicContact CD2-CZ 3.68Å; L233-F235 HydrophobicContact CG-CE2 3.8Å; L233-F235 HydrophobicContact CG-CZ 3.75Å; F235-F252 AromaticContact CD1-CE2 3.88Å; F235-F252 HydrophobicContact CD1-CE2 3.88Å; F235-F252 AromaticContact CD1-CZ 3.57Å; F235-F252 HydrophobicContact CD1-CZ 3.57Å; F235-F252 AromaticContact CE1-CZ 3.98Å; F235-F252 HydrophobicContact CE1-CZ 3.98Å; F235-A253 WeakPolarHBondContact CA-O 3.32Å
236G98.4Very high96Very high0 Ų070.5 Ų70.50%035%0.354CS..EExtended strand (participates in β ladder)trans-130137.3173.300000109.6C41 Y225 F252 A253C41-G236 VanDerWaalsContact SG-CA 3.58Å; Y225-G236 CarbonylContact O-C 3.51Å; Y225-G236 WeakPolarHBondContact O-CA 3.43Å; G236-F252 CarbonylContact O-C 3.57Å; G236-F252 WeakPolarHBondContact O-CA 3.38Å; G236-A253 PolarHBondContact N-O 2.86Å; G236-A253 PolarHBondContact O-N 2.88Å
237V98.5Very high95.8Very high60 Ų6075.8 Ų75.836%0.36438%0.379SS..EExtended strand (participates in β ladder)trans-127.5136.5169.2-178.20000107.1C41 T224 Y225 S251 F252C41-V237 PolarHBondContact SG-O 2.82Å; T224-V237 CarbonylContact C-O 3.59Å; T224-V237 VanDerWaalsContact CA-O 3.24Å; T224-V237 WeakPolarHBondContact CA-O 3.29Å; Y225-V237 HydrophobicContact CD1-CG2 4.5Å; Y225-V237 PolarHBondContact N-O 3.21Å; Y225-V237 PolarHBondContact O-N 2.9Å; V237-S251 WeakPolarHBondContact CA-O 3.36Å; V237-F252 HydrophobicContact CG2-CD2 3.95Å
238E98.4Very high95.7Very high23 Ų2378.9 Ų78.911%0.10740%0.397CS..EExtended strand (participates in β ladder)trans-135.4133.7179.9175.5156.2-121.600110.2Y45 R222 L223 T224 A250 S251Y45-E238 WeakPolarHBondContact OH-CB 3.36Å; Y45-E238 PolarHBondContact OH-N 2.97Å; R222-E238 IonicContact CZ-OE1 3.17Å; R222-E238 IonicContact NE-OE1 3.34Å; R222-E238 PolarHBondContact NE-OE1 2.82Å; R222-E238 IonicContact NH2-OE1 2.87Å; R222-E238 PolarHBondContact NH2-OE1 3.46Å; R222-E238 IonicContact NH2-OE2 3.88Å; L223-E238 CarbonylContact O-C 3.55Å; L223-E238 WeakPolarHBondContact O-CA 3.4Å; T224-E238 HydrophobicContact CG2-CB 4.15Å; T224-E238 HydrophobicContact CG2-CG 3.98Å; T224-E238 WeakPolarHBondContact CG2-OE1 3.24Å; E238-A250 CarbonylContact O-C 3.56Å; E238-A250 VanDerWaalsContact O-CA 3.31Å; E238-A250 WeakPolarHBondContact O-CA 3.42Å; E238-S251 PolarHBondContact N-O 2.79Å; E238-S251 PolarHBondContact O-N 2.8Å
239L98.4Very high95.7Very high68 Ų6876.6 Ų76.636%0.35639%0.39SS..EExtended strand (participates in β ladder)trans-121.7119.3169.3175.970000107.9R222 L223 L249 A250R222-L239 CarbonylContact C-O 3.58Å; R222-L239 WeakPolarHBondContact CA-O 3.33Å; L223-L239 HydrophobicContact CB-CB 4.38Å; L223-L239 HydrophobicContact CD1-CD2 4.24Å; L223-L239 PolarHBondContact N-O 3.48Å; L223-L239 PolarHBondContact O-N 2.86Å; L239-L249 WeakPolarHBondContact CA-O 3.43Å; L239-A250 HydrophobicContact CD1-CB 3.91Å
240E97.5Very high96Very high85 Ų8572.7 Ų72.740%0.39738%0.378SS..EExtended strand (participates in β ladder)trans-114.4124.6172.3-171.4172164.500108.8N248 L249E240-N248 CarbonylContact O-C 3.49Å; E240-N248 WeakPolarHBondContact O-CA 3.32Å; E240-L249 PolarHBondContact N-O 2.81Å; E240-L249 PolarHBondContact O-N 3.18Å
241S97.8Very high96.2Very high15 Ų1568 Ų6811%0.10536%0.358CS..EExtended strand (participates in β ladder)trans-121.8115.7177.7-176.40000108.3G220 V221 W243 N248G220-S241 CarbonylContact C-O 3.54Å; G220-S241 WeakPolarHBondContact CA-O 3.4Å; V221-S241 PolarHBondContact N-O 2.78Å; V221-S241 PolarHBondContact O-N 2.77Å; S241-W243 PolarHBondContact OG-NE1 2.9Å; S241-W243 VanDerWaalsContact OG-NE1 3.16Å; S241-N248 WeakPolarHBondContact CA-OD1 3.35Å; S241-N248 WeakPolarHBondContact CB-OD1 3.34Å; S241-N248 PolarHBondContact OG-OD1 2.85Å
242N95.2Very high96.5Very high60 Ų6067 Ų6732%0.32134%0.342SS..EExtended strand (participates in β ladder)trans-109.4110.9176.7-176.4-30.2000108.8N244 A245 Q246 E247N242-N244 PolarHBondContact OD1-N 3.23Å; N242-N244 VanDerWaalsContact OD1-N 3.11Å; N242-A245 HydrophobicContact CB-CB 4.19Å; N242-A245 PolarHBondContact OD1-N 2.86Å; N242-Q246 VanDerWaalsContact O-CA 3.32Å; N242-Q246 WeakPolarHBondContact O-CA 3.35Å; N242-Q246 PolarHBondContact O-N 2.8Å; N242-E247 PolarHBondContact N-O 2.81Å; N242-E247 PolarHBondContact O-N 3.31Å; N242-E247 VanDerWaalsContact O-N 3.08Å
243W94.3Very high96.6Very high140 Ų14063.6 Ų63.653%0.5332%0.324SS..THydrogen-bonded Turntrans-78-25.2-173.8-60-23.7000113.2G217 M219 V221 S241G217-W243 WeakPolarHBondContact O-CZ3 3.33Å; M219-W243 PolarHBondContact O-N 3.07Å; V221-W243 HydrophobicContact CG1-CZ2 4.33Å; S241-W243 PolarHBondContact OG-NE1 2.9Å; S241-W243 VanDerWaalsContact OG-NE1 3.16Å
244N90.5Very high96.7Very high111 Ų11165.1 Ų65.159%0.59433%0.327SS*.THydrogen-bonded Turntrans-72.2-44.3174.7-71.5-11.7000111.5M219 N242 Q246M219-N244 WeakPolarHBondContact CE-OD1 3.41Å; M219-N244 PolarHBondContact SD-ND2 3.17Å; N242-N244 PolarHBondContact OD1-N 3.23Å; N242-N244 VanDerWaalsContact OD1-N 3.11Å; N244-Q246 VanDerWaalsContact C-N 3.26Å
245A92.4Very high96.7Very high48 Ų4864.5 Ų64.540%0.39733%0.325SS..THydrogen-bonded Turntrans-78.5-13.6176.600000112.5N242 E247N242-A245 HydrophobicContact CB-CB 4.19Å; N242-A245 PolarHBondContact OD1-N 2.86Å; A245-E247 HydrophobicContact CB-CB 4.15Å; A245-E247 HydrophobicContact CB-CG 3.9Å; A245-E247 PolarHBondContact O-N 2.93Å
246Q93.2Very high96.7Very high174 Ų17463 Ų6381%0.81332%0.322SS*.THydrogen-bonded Turntrans53.933.6-169.5-53.8-170.9-66.300112.5N242 N244N242-Q246 VanDerWaalsContact O-CA 3.32Å; N242-Q246 WeakPolarHBondContact O-CA 3.35Å; N242-Q246 PolarHBondContact O-N 2.8Å; N244-Q246 VanDerWaalsContact C-N 3.26Å
247E94.5Very high96.6Very high136 Ų13665.3 Ų65.364%0.63634%0.335SS*.EExtended strand (participates in β ladder)trans-106135.5-178.2-70.8-176.3166.600110.2N242 A245N242-E247 PolarHBondContact N-O 2.81Å; N242-E247 PolarHBondContact O-N 3.31Å; N242-E247 VanDerWaalsContact O-N 3.08Å; A245-E247 HydrophobicContact CB-CB 4.15Å; A245-E247 HydrophobicContact CB-CG 3.9Å; A245-E247 PolarHBondContact O-N 2.93Å
248N96.6Very high96.4Very high102 Ų10265.9 Ų65.955%0.54534%0.338SS..EExtended strand (participates in β ladder)trans-126.1124.4172.4-61.6-61.8000108.7E240 S241E240-N248 CarbonylContact O-C 3.49Å; E240-N248 WeakPolarHBondContact O-CA 3.32Å; S241-N248 WeakPolarHBondContact CA-OD1 3.35Å; S241-N248 WeakPolarHBondContact CB-OD1 3.34Å; S241-N248 PolarHBondContact OG-OD1 2.85Å
249L96.8Very high96.1Very high56 Ų5668.3 Ų68.329%0.29336%0.356SS..EExtended strand (participates in β ladder)trans-121.6113.4178.6-173.666.3000108.6L239 E240 D270 N272L239-L249 WeakPolarHBondContact CA-O 3.43Å; E240-L249 PolarHBondContact N-O 2.81Å; E240-L249 PolarHBondContact O-N 3.18Å; L249-D270 HydrophobicContact CD1-CB 3.82Å; L249-D270 HydrophobicContact CG-CB 4.5Å; L249-N272 HydrophobicContact CD1-CB 4.48Å; L249-N272 WeakPolarHBondContact CD1-ND2 3.32Å
250A98.3Very high95.7Very high36 Ų3675.2 Ų75.230%0.29838%0.383SS..EExtended strand (participates in β ladder)trans-103.3139.416700000109E238 L239 D270 T271E238-A250 CarbonylContact O-C 3.56Å; E238-A250 VanDerWaalsContact O-CA 3.31Å; E238-A250 WeakPolarHBondContact O-CA 3.42Å; L239-A250 HydrophobicContact CD1-CB 3.91Å; A250-D270 CarbonylContact O-C 3.52Å; A250-D270 VanDerWaalsContact O-CA 3.28Å; A250-D270 WeakPolarHBondContact O-CA 3.13Å; A250-T271 HydrophobicContact CB-CG2 3.74Å; A250-T271 PolarHBondContact N-OG1 2.84Å; A250-T271 VanDerWaalsContact N-OG1 3.15Å; A250-T271 PolarHBondContact O-N 2.81Å; A250-T271 PolarHBondContact O-OG1 2.79Å
251S98Very high95.4Very high15 Ų1572.8 Ų72.811%0.10538%0.377CS..EExtended strand (participates in β ladder)trans-142.7152.1178.664.30000111.6Y45 V237 E238 I269Y45-S251 VanDerWaalsContact CE1-OG 3.31Å; Y45-S251 WeakPolarHBondContact CE1-OG 3.2Å; Y45-S251 PolarHBondContact OH-O 3.25Å; Y45-S251 PolarHBondContact OH-OG 3.29Å; V237-S251 WeakPolarHBondContact CA-O 3.36Å; E238-S251 PolarHBondContact N-O 2.79Å; E238-S251 PolarHBondContact O-N 2.8Å; S251-I269 CarbonylContact C-O 3.56Å; S251-I269 VanDerWaalsContact CA-O 3.25Å; S251-I269 WeakPolarHBondContact CA-O 3.19Å; S251-I269 WeakPolarHBondContact CB-O 3.45Å
252F98.5Very high95.2Very high81 Ų8175.8 Ų75.836%0.35539%0.392SS..EExtended strand (participates in β ladder)trans-125.7136.9175.8168.4-91.3000108.3F235 G236 V237 Y254 S268 I269F235-F252 AromaticContact CD1-CE2 3.88Å; F235-F252 HydrophobicContact CD1-CE2 3.88Å; F235-F252 AromaticContact CD1-CZ 3.57Å; F235-F252 HydrophobicContact CD1-CZ 3.57Å; F235-F252 AromaticContact CE1-CZ 3.98Å; F235-F252 HydrophobicContact CE1-CZ 3.98Å; G236-F252 CarbonylContact O-C 3.57Å; G236-F252 WeakPolarHBondContact O-CA 3.38Å; V237-F252 HydrophobicContact CG2-CD2 3.95Å; F252-Y254 HydrophobicContact CE1-CD1 4.17Å; F252-S268 CarbonylContact O-C 3.52Å; F252-S268 WeakPolarHBondContact O-CA 3.31Å; F252-S268 WeakPolarHBondContact O-CB 3.25Å; F252-I269 HydrophobicContact CB-CG2 4.34Å; F252-I269 HydrophobicContact CD1-CG2 4.4Å; F252-I269 PolarHBondContact N-O 2.94Å; F252-I269 PolarHBondContact O-N 3.41Å
253A98.5Very high95.2Very high0 Ų073.7 Ų73.70%038%0.383CS..EExtended strand (participates in β ladder)trans-135.8153.917600000111.5V44 Y45 F235 G236 A267V44-A253 HydrophobicContact CG1-CB 4.07Å; Y45-A253 HydrophobicContact CD1-CB 3.8Å; Y45-A253 HydrophobicContact CD2-CB 3.61Å; Y45-A253 HydrophobicContact CE1-CB 3.77Å; Y45-A253 HydrophobicContact CE2-CB 3.55Å; Y45-A253 HydrophobicContact CG-CB 3.72Å; F235-A253 WeakPolarHBondContact CA-O 3.32Å; G236-A253 PolarHBondContact N-O 2.86Å; G236-A253 PolarHBondContact O-N 2.88Å; A253-A267 CarbonylContact C-O 3.5Å; A253-A267 WeakPolarHBondContact CA-O 3.47Å
254Y98.2Very high95.3Very high77 Ų7767.8 Ų67.830%0.30236%0.363SS..EExtended strand (participates in β ladder)trans-138.5152.7167.774.9-88.2000111.1L233 Q234 F252 A256 F265 R266 A267L233-Y254 HydrophobicContact CD1-CD2 4.36Å; Q234-Y254 CarbonylContact O-C 3.47Å; Q234-Y254 VanDerWaalsContact O-CA 3.26Å; Q234-Y254 WeakPolarHBondContact O-CA 3.22Å; F252-Y254 HydrophobicContact CE1-CD1 4.17Å; Y254-A256 HydrophobicContact CD2-CB 4.29Å; Y254-A256 HydrophobicContact CE2-CB 4.23Å; Y254-F265 AromaticContact CE2-CD1 3.79Å; Y254-F265 HydrophobicContact CE2-CD1 3.79Å; Y254-F265 HydrophobicContact CE2-CE1 4.06Å; Y254-F265 AromaticContact CZ-CD1 3.94Å; Y254-F265 AromaticContact CZ-CE1 3.71Å; Y254-F265 WeakPolarHBondContact OH-CE1 3.31Å; Y254-R266 WeakPolarHBondContact O-CA 3.32Å; Y254-A267 HydrophobicContact CD1-CB 4.31Å; Y254-A267 HydrophobicContact CE1-CB 3.72Å; Y254-A267 PolarHBondContact N-O 2.89Å; Y254-A267 PolarHBondContact O-N 2.81Å
255Q98.3Very high95.6Very high14 Ų1465.5 Ų65.57%0.06535%0.348CS..EExtended strand (participates in β ladder)trans-123.5125.3169.4177-178.9-25.600108.6D43 V44 L233 Q234 D257 F265 R266D43-Q255 PolarHBondContact O-OE1 2.78Å; V44-Q255 HydrophobicContact CG1-CB 4.03Å; L233-Q255 WeakPolarHBondContact CA-O 3.13Å; Q234-Q255 HydrophobicContact CG-CB 3.74Å; Q234-Q255 HydrophobicContact CG-CG 4.47Å; Q234-Q255 PolarHBondContact N-O 2.84Å; Q234-Q255 PolarHBondContact O-N 2.66Å; Q255-D257 PolarHBondContact NE2-OD1 2.65Å; Q255-D257 PolarHBondContact NE2-OD2 3.11Å; Q255-F265 CarbonylContact C-O 3.59Å; Q255-F265 VanDerWaalsContact CA-O 3.3Å; Q255-F265 WeakPolarHBondContact CA-O 3.26Å; Q255-R266 HydrophobicContact CB-CG 3.89Å; Q255-R266 HydrophobicContact CG-CG 3.75Å
256A97.7Very high95.9Very high22 Ų2265.7 Ų65.718%0.18234%0.339CS..EExtended strand (participates in β ladder)trans-116.7114.4174.500000109.6N232 L233 Y254 F265N232-A256 CarbonylContact O-C 3.56Å; N232-A256 WeakPolarHBondContact O-CA 3.23Å; L233-A256 HydrophobicContact CD1-CB 3.97Å; Y254-A256 HydrophobicContact CD2-CB 4.29Å; Y254-A256 HydrophobicContact CE2-CB 4.23Å; A256-F265 PolarHBondContact N-O 2.75Å; A256-F265 PolarHBondContact O-N 2.91Å
257D96.7Very high96.2Very high49 Ų4957.9 Ų57.926%0.26230%0.304SS..EExtended strand (participates in β ladder)trans-92.2134.5173.5-61-42.3000109.6N232 Q255 P259 S264N232-D257 HydrophobicContact CB-CB 4.45Å; N232-D257 WeakPolarHBondContact CB-O 3.42Å; N232-D257 PolarHBondContact O-N 2.86Å; Q255-D257 PolarHBondContact NE2-OD1 2.65Å; Q255-D257 PolarHBondContact NE2-OD2 3.11Å; D257-P259 VanDerWaalsContact O-CD 3.3Å; D257-P259 WeakPolarHBondContact O-CD 3.3Å; D257-S264 WeakPolarHBondContact OD1-CB 3.2Å; D257-S264 PolarHBondContact OD1-OG 2.64Å
258V95Very high96.4Very high71 Ų7152.3 Ų52.343%0.4328%0.28SS..EExtended strand (participates in β ladder)trans-118.583.1177.5-170.90000108.3K260 A261 N262 A263V258-K260 VanDerWaalsContact C-N 3.29Å; V258-K260 PolarHBondContact O-N 3.43Å; V258-A261 HydrophobicContact CB-CB 4.19Å; V258-A261 HydrophobicContact CG1-CB 3.67Å; V258-A261 CarbonylContact O-C 3.52Å; V258-A261 PolarHBondContact O-N 2.87Å; V258-N262 PolarHBondContact O-N 2.87Å; V258-N262 VanDerWaalsContact O-N 3.09Å; V258-A263 PolarHBondContact N-O 2.93Å; V258-A263 PolarHBondContact O-N 3.18Å
259P91.3Very high96.4Very high75 Ų7551.2 Ų51.249%0.48727%0.273SS..G310 helixtrans-57.7-39.8-174.1-26.534000113.1D257 A261 N262D257-P259 VanDerWaalsContact O-CD 3.3Å; D257-P259 WeakPolarHBondContact O-CD 3.3Å; P259-A261 PolarHBondContact O-N 2.78Å; P259-A261 VanDerWaalsContact O-N 3.17Å; P259-N262 PolarHBondContact O-N 2.9Å; P259-N262 PolarHBondContact O-OD1 2.79Å
260K90.5Very high96.4Very high213 Ų21350.1 Ų50.193%0.92627%0.268SS*.G310 helixtrans-60.5-27.4178.1-66.5-174.6179.8-179.90113.1V258V258-K260 VanDerWaalsContact C-N 3.29Å; V258-K260 PolarHBondContact O-N 3.43Å
261A91.1Very high96.3Very high33 Ų3351.9 Ų51.927%0.27328%0.275SS..G310 helixtrans-101.62.5178.200000112.1V258 P259 A263 K281V258-A261 HydrophobicContact CB-CB 4.19Å; V258-A261 HydrophobicContact CG1-CB 3.67Å; V258-A261 CarbonylContact O-C 3.52Å; V258-A261 PolarHBondContact O-N 2.87Å; P259-A261 PolarHBondContact O-N 2.78Å; P259-A261 VanDerWaalsContact O-N 3.17Å; A261-A263 HydrophobicContact CB-CB 4.21Å; A261-A263 PolarHBondContact O-N 2.79Å; A261-A263 VanDerWaalsContact O-N 3.14Å; A261-K281 VanDerWaalsContact O-CD 3.3Å; A261-K281 WeakPolarHBondContact O-CD 3.47Å; A261-K281 WeakPolarHBondContact O-CE 3.36Å; A261-K281 PolarHBondContact O-NZ 2.84Å
262N93.5Very high96.1Very high78 Ų7855.1 Ų55.142%0.41729%0.291SS..THydrogen-bonded Turntrans48.140.2-172.2-62.6-37.8000112.4V258 P259 R282 S284V258-N262 PolarHBondContact O-N 2.87Å; V258-N262 VanDerWaalsContact O-N 3.09Å; P259-N262 PolarHBondContact O-N 2.9Å; P259-N262 PolarHBondContact O-OD1 2.79Å; N262-R282 HydrophobicContact CB-CB 4.17Å; N262-R282 WeakPolarHBondContact CB-O 3.35Å; N262-R282 PolarHBondContact O-N 2.79Å; N262-S284 PolarHBondContact ND2-OG 2.89Å
263A95.4Very high95.9Very high17 Ų1757.4 Ų57.414%0.1430%0.301CS..EExtended strand (participates in β ladder)trans-126.1150.2-17600000111.1V258 A261 L279 E280 K281V258-A263 PolarHBondContact N-O 2.93Å; V258-A263 PolarHBondContact O-N 3.18Å; A261-A263 HydrophobicContact CB-CB 4.21Å; A261-A263 PolarHBondContact O-N 2.79Å; A261-A263 VanDerWaalsContact O-N 3.14Å; A263-L279 HydrophobicContact CB-CD1 4.39Å; A263-E280 CarbonylContact C-O 3.52Å; A263-E280 WeakPolarHBondContact CA-O 3.46Å; A263-K281 HydrophobicContact CB-CD 3.9Å
264S96.4Very high95.8Very high16 Ų1658.6 Ų58.611%0.11231%0.309CS..EExtended strand (participates in β ladder)trans-132.8132.4171.7-175.90000108.8D257 E280D257-S264 WeakPolarHBondContact OD1-CB 3.2Å; D257-S264 PolarHBondContact OD1-OG 2.64Å; S264-E280 PolarHBondContact N-O 3.26Å; S264-E280 PolarHBondContact O-N 3Å
265F97.8Very high95.8Very high62 Ų6257.6 Ų57.627%0.27231%0.31SS..EExtended strand (participates in β ladder)trans-119.8129.7179.3-175.2-98.6000109.7Y254 Q255 A256 A267 A277 M278 L279Y254-F265 AromaticContact CE2-CD1 3.79Å; Y254-F265 HydrophobicContact CE2-CD1 3.79Å; Y254-F265 HydrophobicContact CE2-CE1 4.06Å; Y254-F265 AromaticContact CZ-CD1 3.94Å; Y254-F265 AromaticContact CZ-CE1 3.71Å; Y254-F265 WeakPolarHBondContact OH-CE1 3.31Å; Q255-F265 CarbonylContact C-O 3.59Å; Q255-F265 VanDerWaalsContact CA-O 3.3Å; Q255-F265 WeakPolarHBondContact CA-O 3.26Å; A256-F265 PolarHBondContact N-O 2.75Å; A256-F265 PolarHBondContact O-N 2.91Å; F265-A267 HydrophobicContact CD1-CB 4.44Å; F265-A267 HydrophobicContact CE1-CB 3.53Å; F265-A267 HydrophobicContact CZ-CB 3.95Å; F265-A277 HydrophobicContact CE2-CB 4.21Å; F265-A277 HydrophobicContact CZ-CB 3.89Å; F265-M278 CarbonylContact C-O 3.56Å; F265-M278 WeakPolarHBondContact CA-O 3.47Å; F265-L279 HydrophobicContact CB-CD1 4.25Å; F265-L279 HydrophobicContact CD2-CB 4.05Å; F265-L279 HydrophobicContact CD2-CD1 4.08Å
266R98.2Very high95.7Very high52 Ų5257.9 Ų57.920%0.19631%0.314CS..EExtended strand (participates in β ladder)trans-121.8136.7172.8-65.8-175.9179.2109-1.3109D43 V44 P46 Y254 Q255 A277 M278 E280D43-R266 PolarHBondContact O-NE 3.12Å; V44-R266 WeakPolarHBondContact O-CD 3.5Å; P46-R266 HydrophobicContact CB-CB 3.89Å; Y254-R266 WeakPolarHBondContact O-CA 3.32Å; Q255-R266 HydrophobicContact CB-CG 3.89Å; Q255-R266 HydrophobicContact CG-CG 3.75Å; R266-A277 CarbonylContact O-C 3.56Å; R266-A277 VanDerWaalsContact O-CA 3.32Å; R266-A277 WeakPolarHBondContact O-CA 3.33Å; R266-M278 PolarHBondContact N-O 3.19Å; R266-M278 PolarHBondContact O-N 2.9Å; R266-E280 IonicContact NH1-OE1 3.5Å
267A98.4Very high95.8Very high11 Ų1158.2 Ų58.29%0.09132%0.317CS..EExtended strand (participates in β ladder)trans-144.1152.9171.100000111.2A253 Y254 F265 S276 A277A253-A267 CarbonylContact C-O 3.5Å; A253-A267 WeakPolarHBondContact CA-O 3.47Å; Y254-A267 HydrophobicContact CD1-CB 4.31Å; Y254-A267 HydrophobicContact CE1-CB 3.72Å; Y254-A267 PolarHBondContact N-O 2.89Å; Y254-A267 PolarHBondContact O-N 2.81Å; F265-A267 HydrophobicContact CD1-CB 4.44Å; F265-A267 HydrophobicContact CE1-CB 3.53Å; F265-A267 HydrophobicContact CZ-CB 3.95Å; A267-S276 CarbonylContact C-O 3.54Å; A267-S276 WeakPolarHBondContact CA-O 3.27Å; A267-A277 HydrophobicContact CB-CB 4.16Å
268S98.2Very high95.8Very high18 Ų1856.6 Ų56.613%0.12631%0.307CS..EExtended strand (participates in β ladder)trans-144.3155.5177.466.60000111.9F252 V275 S276F252-S268 CarbonylContact O-C 3.52Å; F252-S268 WeakPolarHBondContact O-CA 3.31Å; F252-S268 WeakPolarHBondContact O-CB 3.25Å; S268-V275 WeakPolarHBondContact O-CA 3.45Å; S268-S276 PolarHBondContact N-O 2.71Å; S268-S276 PolarHBondContact O-N 2.95Å
269I98Very high95.9Very high79 Ų7956.2 Ų56.241%0.40530%0.303SS..EExtended strand (participates in β ladder)trans-136.4142.8171.6-173.4167.7000109.2S251 F252 T274 V275S251-I269 CarbonylContact C-O 3.56Å; S251-I269 VanDerWaalsContact CA-O 3.25Å; S251-I269 WeakPolarHBondContact CA-O 3.19Å; S251-I269 WeakPolarHBondContact CB-O 3.45Å; F252-I269 HydrophobicContact CB-CG2 4.34Å; F252-I269 HydrophobicContact CD1-CG2 4.4Å; F252-I269 PolarHBondContact N-O 2.94Å; F252-I269 PolarHBondContact O-N 3.41Å; I269-T274 VanDerWaalsContact CA-O 3.32Å; I269-T274 WeakPolarHBondContact CA-O 3.39Å; I269-V275 HydrophobicContact CD1-CG2 4Å; I269-V275 HydrophobicContact CG1-CG2 4.08Å
270D96.8Very high96.2Very high33 Ų3354.7 Ų54.718%0.17629%0.289CS..EExtended strand (participates in β ladder)trans-121.9169.8176.171.321.4000113.1L249 A250 N272 F273 T274L249-D270 HydrophobicContact CD1-CB 3.82Å; L249-D270 HydrophobicContact CG-CB 4.5Å; A250-D270 CarbonylContact O-C 3.52Å; A250-D270 VanDerWaalsContact O-CA 3.28Å; A250-D270 WeakPolarHBondContact O-CA 3.13Å; D270-N272 PolarHBondContact O-N 2.88Å; D270-N272 VanDerWaalsContact OD1-C 3.28Å; D270-N272 VanDerWaalsContact OD1-CA 3.29Å; D270-N272 WeakPolarHBondContact OD1-CA 3.35Å; D270-N272 WeakPolarHBondContact OD1-CB 3.34Å; D270-N272 PolarHBondContact OD1-N 2.83Å; D270-F273 WeakPolarHBondContact O-CA 3.41Å; D270-F273 PolarHBondContact O-N 3.15Å; D270-F273 PolarHBondContact OD1-N 2.85Å; D270-F273 VanDerWaalsContact OD1-N 3.14Å; D270-T274 PolarHBondContact N-O 3.14Å; D270-T274 VanDerWaalsContact N-O 3.11Å; D270-T274 WeakPolarHBondContact OD1-CA 3.41Å; D270-T274 VanDerWaalsContact OD1-CB 3.31Å; D270-T274 WeakPolarHBondContact OD1-CB 3.49Å; D270-T274 PolarHBondContact OD1-N 2.98Å; D270-T274 PolarHBondContact OD1-OG1 3.25Å; D270-T274 VanDerWaalsContact OD2-CB 3.26Å; D270-T274 WeakPolarHBondContact OD2-CB 3.49Å; D270-T274 PolarHBondContact OD2-OG1 2.98Å
271T96Very high96.4Very high74 Ų7448.1 Ų48.145%0.45426%0.261SS..THydrogen-bonded Turntrans-68.6-10.7177.547.20000114.2A250 F273A250-T271 HydrophobicContact CB-CG2 3.74Å; A250-T271 PolarHBondContact N-OG1 2.84Å; A250-T271 VanDerWaalsContact N-OG1 3.15Å; A250-T271 PolarHBondContact O-N 2.81Å; A250-T271 PolarHBondContact O-OG1 2.79Å; T271-F273 PolarHBondContact O-N 2.82Å
272N94.1Very high96.6Very high82 Ų8254 Ų5444%0.43928%0.276SS..THydrogen-bonded Turntrans-85.68.8168.8-73.1-30.1000112.2L249 D270 T274 N297L249-N272 HydrophobicContact CD1-CB 4.48Å; L249-N272 WeakPolarHBondContact CD1-ND2 3.32Å; D270-N272 PolarHBondContact O-N 2.88Å; D270-N272 VanDerWaalsContact OD1-C 3.28Å; D270-N272 VanDerWaalsContact OD1-CA 3.29Å; D270-N272 WeakPolarHBondContact OD1-CA 3.35Å; D270-N272 WeakPolarHBondContact OD1-CB 3.34Å; D270-N272 PolarHBondContact OD1-N 2.83Å; N272-T274 PolarHBondContact O-N 3.48Å; N272-N297 PolarHBondContact O-ND2 2.96Å
273F94.5Very high96.4Very high130 Ų13053.5 Ų53.557%0.5727%0.273SS*.  trans57.829.4-175.7-58.6-83.2000113.2D270 T271 V299D270-F273 WeakPolarHBondContact O-CA 3.41Å; D270-F273 PolarHBondContact O-N 3.15Å; D270-F273 PolarHBondContact OD1-N 2.85Å; D270-F273 VanDerWaalsContact OD1-N 3.14Å; T271-F273 PolarHBondContact O-N 2.82Å; F273-V299 HydrophobicContact CB-CG2 4.08Å; F273-V299 HydrophobicContact CD2-CG2 3.87Å; F273-V299 HydrophobicContact CG-CG2 4.32Å
274T96.4Very high95.8Very high25 Ų2556.7 Ų56.715%0.15329%0.294CS..EExtended strand (participates in β ladder)trans-82.7119.6168.5-44.20000108.6I269 D270 N272 V295 M296 N297I269-T274 VanDerWaalsContact CA-O 3.32Å; I269-T274 WeakPolarHBondContact CA-O 3.39Å; D270-T274 PolarHBondContact N-O 3.14Å; D270-T274 VanDerWaalsContact N-O 3.11Å; D270-T274 WeakPolarHBondContact OD1-CA 3.41Å; D270-T274 VanDerWaalsContact OD1-CB 3.31Å; D270-T274 WeakPolarHBondContact OD1-CB 3.49Å; D270-T274 PolarHBondContact OD1-N 2.98Å; D270-T274 PolarHBondContact OD1-OG1 3.25Å; D270-T274 VanDerWaalsContact OD2-CB 3.26Å; D270-T274 WeakPolarHBondContact OD2-CB 3.49Å; D270-T274 PolarHBondContact OD2-OG1 2.98Å; N272-T274 PolarHBondContact O-N 3.48Å; T274-V295 HydrophobicContact CG2-CG1 3.6Å; T274-M296 CarbonylContact C-O 3.48Å; T274-M296 WeakPolarHBondContact CA-O 3.35Å; T274-N297 HydrophobicContact CG2-CB 4.4Å; T274-N297 PolarHBondContact OG1-ND2 2.94Å
275V97.4Very high95.1Very high56 Ų5662.3 Ų62.334%0.33933%0.33SS..EExtended strand (participates in β ladder)trans-104125.9171.9-177.90000108S268 I269 V295 M296S268-V275 WeakPolarHBondContact O-CA 3.45Å; I269-V275 HydrophobicContact CD1-CG2 4Å; I269-V275 HydrophobicContact CG1-CG2 4.08Å; V275-V295 CarbonylContact O-C 3.56Å; V275-V295 WeakPolarHBondContact O-CA 3.49Å; V275-M296 PolarHBondContact N-O 3.41Å; V275-M296 PolarHBondContact O-N 3.25Å
276S97.5Very high94.5Very high19 Ų1964.8 Ų64.813%0.13334%0.344CS..EExtended strand (participates in β ladder)trans-122.9140.6176.8-58.40000109.8A267 S268 G294A267-S276 CarbonylContact C-O 3.54Å; A267-S276 WeakPolarHBondContact CA-O 3.27Å; S268-S276 PolarHBondContact N-O 2.71Å; S268-S276 PolarHBondContact O-N 2.95Å; S276-G294 CarbonylContact C-O 3.54Å; S276-G294 WeakPolarHBondContact CA-O 3.38Å
277A98Very high93.9Very high30 Ų3065.8 Ų65.825%0.24836%0.357CS..EExtended strand (participates in β ladder)trans-145.2147.8177.300000111.2C48 F265 R266 A267 S293 G294C48-A277 PolarHBondContact SG-O 3.11Å; C48-A277 VanDerWaalsContact SG-O 3.42Å; F265-A277 HydrophobicContact CE2-CB 4.21Å; F265-A277 HydrophobicContact CZ-CB 3.89Å; R266-A277 CarbonylContact O-C 3.56Å; R266-A277 VanDerWaalsContact O-CA 3.32Å; R266-A277 WeakPolarHBondContact O-CA 3.33Å; A267-A277 HydrophobicContact CB-CB 4.16Å; A277-S293 CarbonylContact O-C 3.49Å; A277-S293 VanDerWaalsContact O-CA 3.28Å; A277-S293 WeakPolarHBondContact O-CA 3.29Å; A277-G294 PolarHBondContact N-O 2.8Å; A277-G294 PolarHBondContact O-N 3.02Å
278M97.6Very high93.6Very high14 Ų1468.8 Ų68.87%0.06937%0.368CS..EExtended strand (participates in β ladder)trans-144.5126.5179.5-174.4-175.4-175.700110P46 F265 R266 E280 I291 L292P46-M278 HydrophobicContact CB-CB 3.69Å; F265-M278 CarbonylContact C-O 3.56Å; F265-M278 WeakPolarHBondContact CA-O 3.47Å; R266-M278 PolarHBondContact N-O 3.19Å; R266-M278 PolarHBondContact O-N 2.9Å; M278-E280 HydrophobicContact CE-CG 3.88Å; M278-E280 WeakPolarHBondContact CE-OE1 3.41Å; M278-I291 HydrophobicContact CE-CD1 4.35Å; M278-I291 HydrophobicContact CE-CG2 3.35Å; M278-I291 HydrophobicContact CG-CG2 4.09Å; M278-L292 CarbonylContact C-O 3.58Å; M278-L292 VanDerWaalsContact CA-O 3.24Å; M278-L292 WeakPolarHBondContact CA-O 3.32Å
279L97.6Very high93.4Very high64 Ų6469.1 Ų69.134%0.33537%0.37SS..EExtended strand (participates in β ladder)trans-113.1120.6172.7178.568.8000108.9A263 F265 I291 L292A263-L279 HydrophobicContact CB-CD1 4.39Å; F265-L279 HydrophobicContact CB-CD1 4.25Å; F265-L279 HydrophobicContact CD2-CB 4.05Å; F265-L279 HydrophobicContact CD2-CD1 4.08Å; L279-I291 CarbonylContact O-C 3.48Å; L279-I291 WeakPolarHBondContact O-CA 3.36Å; L279-L292 HydrophobicContact CB-CB 4.36Å; L279-L292 HydrophobicContact CD2-CD1 4.33Å; L279-L292 PolarHBondContact N-O 3.27Å; L279-L292 PolarHBondContact O-N 3.44Å
280E96.4Very high93.3Very high43 Ų4367.6 Ų67.620%0.20136%0.362CS..EExtended strand (participates in β ladder)trans-105.3127.7169.2-63.5-176.7-170.100109.1A263 S264 R266 M278 I290 I291A263-E280 CarbonylContact C-O 3.52Å; A263-E280 WeakPolarHBondContact CA-O 3.46Å; S264-E280 PolarHBondContact N-O 3.26Å; S264-E280 PolarHBondContact O-N 3Å; R266-E280 IonicContact NH1-OE1 3.5Å; M278-E280 HydrophobicContact CE-CG 3.88Å; M278-E280 WeakPolarHBondContact CE-OE1 3.41Å; E280-I290 CarbonylContact C-O 3.57Å; E280-I290 WeakPolarHBondContact CA-O 3.41Å; E280-I291 HydrophobicContact CG-CG1 4.16Å; E280-I291 HydrophobicContact CG-CG2 4.23Å
281K96Very high93.3Very high74 Ų7467 Ų6732%0.32236%0.358SS..EExtended strand (participates in β ladder)trans-128.6115.7179.2175.670.3179.1-153.50109.8A261 A263 L283 T289 I290A261-K281 VanDerWaalsContact O-CD 3.3Å; A261-K281 WeakPolarHBondContact O-CD 3.47Å; A261-K281 WeakPolarHBondContact O-CE 3.36Å; A261-K281 PolarHBondContact O-NZ 2.84Å; A263-K281 HydrophobicContact CB-CD 3.9Å; K281-L283 HydrophobicContact CG-CD2 3.93Å; K281-T289 CarbonylContact O-C 3.49Å; K281-T289 WeakPolarHBondContact O-CA 3.28Å; K281-I290 PolarHBondContact N-O 2.97Å; K281-I290 PolarHBondContact O-N 2.92Å
282R93.5Very high93.4Very high156 Ų15667.4 Ų67.459%0.58936%0.357SS*.EExtended strand (participates in β ladder)trans-86127.5173.2-57.6178.6-177.9152.73109.5N262 S284 T289N262-R282 HydrophobicContact CB-CB 4.17Å; N262-R282 WeakPolarHBondContact CB-O 3.35Å; N262-R282 PolarHBondContact O-N 2.79Å; R282-S284 PolarHBondContact O-N 3.08Å; R282-T289 HydrophobicContact CG-CG2 3.96Å
283L89.8Confident93.4Very high69 Ų6963.8 Ų63.836%0.36134%0.339SS..  trans-99.569.1-174.7-63.2-179.5000111.6K281 M286 F288 I290K281-L283 HydrophobicContact CG-CD2 3.93Å; L283-M286 CarbonylContact C-O 3.46Å; L283-M286 CarbonylContact O-C 3.52Å; L283-M286 PolarHBondContact O-N 2.87Å; L283-F288 HydrophobicContact CB-CB 4.35Å; L283-F288 HydrophobicContact CD1-CB 4.35Å; L283-F288 PolarHBondContact N-O 3.27Å; L283-I290 HydrophobicContact CD1-CD1 3.62Å; L283-I290 HydrophobicContact CD1-CG1 3.86Å; L283-I290 HydrophobicContact CG-CD1 4.43Å; L283-I290 HydrophobicContact CG-CG1 4.44Å
284S82.6Confident93.5Very high83 Ų8358.5 Ų58.558%0.5832%0.321SS*.THydrogen-bonded Turntrans-60.9140.2173.2-52.80000111.4N262 R282N262-S284 PolarHBondContact ND2-OG 2.89Å; R282-S284 PolarHBondContact O-N 3.08Å
285P83.3Confident93.5Very high135 Ų13559 Ų5988%0.87732%0.324SS*.THydrogen-bonded Turncis-87.3-7.49.934.5-36.3000115.3
286M84Confident93.4Very high113 Ų11359.5 Ų59.556%0.55732%0.323SS*.SBendtrans-74.3146.9179.9-63.3-68.4-77.800110.3L283 F288L283-M286 CarbonylContact C-O 3.46Å; L283-M286 CarbonylContact O-C 3.52Å; L283-M286 PolarHBondContact O-N 2.87Å; M286-F288 HydrophobicContact CB-CD2 3.55Å; M286-F288 HydrophobicContact CB-CE2 4.1Å; M286-F288 HydrophobicContact CE-CD2 4.32Å; M286-F288 HydrophobicContact CE-CE2 3.63Å; M286-F288 HydrophobicContact CG-CD2 4.35Å; M286-F288 PolarHBondContact O-N 3Å
287P86.1Confident93.3Very high73 Ų7359 Ų5947%0.47432%0.319SS..SBendtrans-82.943.2-178.437.3-38.1000112L311 G312P287-L311 HydrophobicContact CG-CD1 3.99Å; P287-G312 WeakPolarHBondContact CB-O 3.42Å; P287-G312 WeakPolarHBondContact CG-O 3.43Å; P287-G312 PolarHBondContact O-N 3.31Å
288F91Very high92.7Very high75 Ų7562.9 Ų62.933%0.32934%0.335SS..EExtended strand (participates in β ladder)trans-99.9138.7175.6-68.9-67.8000110.9L283 M286 V310 L311L283-F288 HydrophobicContact CB-CB 4.35Å; L283-F288 HydrophobicContact CD1-CB 4.35Å; L283-F288 PolarHBondContact N-O 3.27Å; M286-F288 HydrophobicContact CB-CD2 3.55Å; M286-F288 HydrophobicContact CB-CE2 4.1Å; M286-F288 HydrophobicContact CE-CD2 4.32Å; M286-F288 HydrophobicContact CE-CE2 3.63Å; M286-F288 HydrophobicContact CG-CD2 4.35Å; M286-F288 PolarHBondContact O-N 3Å; F288-V310 CarbonylContact C-O 3.55Å; F288-V310 WeakPolarHBondContact CA-O 3.47Å; F288-L311 HydrophobicContact CD1-CB 4.18Å; F288-L311 HydrophobicContact CD1-CD1 3.77Å; F288-L311 HydrophobicContact CD1-CG 4.47Å; F288-L311 HydrophobicContact CE1-CB 4.12Å; F288-L311 HydrophobicContact CE1-CD1 3.53Å; F288-L311 HydrophobicContact CE1-CD2 4.07Å; F288-L311 HydrophobicContact CE1-CG 4.1Å; F288-L311 HydrophobicContact CG-CD1 4.46Å; F288-L311 HydrophobicContact CZ-CD1 4.01Å
289T94.9Very high92.3Very high25 Ų2567.2 Ų67.215%0.15336%0.363CS..EExtended strand (participates in β ladder)trans-122.1125.7165.6-51.40000108.7K281 R282 I291 F309 V310K281-T289 CarbonylContact O-C 3.49Å; K281-T289 WeakPolarHBondContact O-CA 3.28Å; R282-T289 HydrophobicContact CG-CG2 3.96Å; T289-I291 HydrophobicContact CG2-CG1 4.35Å; T289-F309 WeakPolarHBondContact O-CA 3.16Å; T289-V310 PolarHBondContact N-O 3.02Å; T289-V310 PolarHBondContact O-N 3.22Å
290I95.8Very high92Very high46 Ų4671.2 Ų71.224%0.23638%0.377CS..EExtended strand (participates in β ladder)trans-92.1136.8170.1-61.9-177.9000107.8E280 K281 L283 L292 L307 G308 F309E280-I290 CarbonylContact C-O 3.57Å; E280-I290 WeakPolarHBondContact CA-O 3.41Å; K281-I290 PolarHBondContact N-O 2.97Å; K281-I290 PolarHBondContact O-N 2.92Å; L283-I290 HydrophobicContact CD1-CD1 3.62Å; L283-I290 HydrophobicContact CD1-CG1 3.86Å; L283-I290 HydrophobicContact CG-CD1 4.43Å; L283-I290 HydrophobicContact CG-CG1 4.44Å; I290-L292 HydrophobicContact CG2-CG 4.44Å; I290-L307 HydrophobicContact CG2-CD1 4.19Å; I290-G308 CarbonylContact C-O 3.51Å; I290-G308 WeakPolarHBondContact CA-O 3.09Å; I290-F309 HydrophobicContact CD1-CE1 4.03Å; I290-F309 HydrophobicContact CG1-CD1 4.02Å; I290-F309 HydrophobicContact CG1-CE1 3.85Å
291I96.9Very high91.6Very high21 Ų2176.3 Ų76.311%0.10841%0.406CS..EExtended strand (participates in β ladder)trans-122.2127175.5-52.5-177.8000107.8F49 M278 L279 E280 T289 L307 G308 V310F49-I291 HydrophobicContact CE1-CB 4.39Å; F49-I291 HydrophobicContact CE1-CG2 3.74Å; F49-I291 HydrophobicContact CZ-CB 4.44Å; F49-I291 HydrophobicContact CZ-CG2 4.2Å; M278-I291 HydrophobicContact CE-CD1 4.35Å; M278-I291 HydrophobicContact CE-CG2 3.35Å; M278-I291 HydrophobicContact CG-CG2 4.09Å; L279-I291 CarbonylContact O-C 3.48Å; L279-I291 WeakPolarHBondContact O-CA 3.36Å; E280-I291 HydrophobicContact CG-CG1 4.16Å; E280-I291 HydrophobicContact CG-CG2 4.23Å; T289-I291 HydrophobicContact CG2-CG1 4.35Å; I291-L307 CarbonylContact O-C 3.56Å; I291-G308 PolarHBondContact N-O 3.04Å; I291-G308 PolarHBondContact O-N 3.29Å; I291-V310 HydrophobicContact CD1-CG2 3.68Å; I291-V310 HydrophobicContact CG1-CG2 4.36Å
292L97.1Very high91.4Very high82 Ų8275.5 Ų75.543%0.42941%0.407SS..EExtended strand (participates in β ladder)trans-115.6129.7170.4-69166000107.2M278 L279 I290 G306 L307M278-L292 CarbonylContact C-O 3.58Å; M278-L292 VanDerWaalsContact CA-O 3.24Å; M278-L292 WeakPolarHBondContact CA-O 3.32Å; L279-L292 HydrophobicContact CB-CB 4.36Å; L279-L292 HydrophobicContact CD2-CD1 4.33Å; L279-L292 PolarHBondContact N-O 3.27Å; L279-L292 PolarHBondContact O-N 3.44Å; I290-L292 HydrophobicContact CG2-CG 4.44Å; L292-G306 WeakPolarHBondContact CA-O 3.49Å; L292-L307 HydrophobicContact CD2-CD1 3.42Å; L292-L307 VanDerWaalsContact CD2-CD1 3.42Å; L292-L307 HydrophobicContact CG-CD1 4.34Å
293S95.9Very high91.3Very high7 Ų774.7 Ų74.75%0.04941%0.408CS..EExtended strand (participates in β ladder)trans-130.5151.1173.662.60000111.7F49 A277 V305 G306F49-S293 WeakPolarHBondContact CD1-OG 3.46Å; F49-S293 PolarHBondContact N-OG 3.02Å; F49-S293 VanDerWaalsContact N-OG 3.14Å; F49-S293 PolarHBondContact O-OG 2.91Å; A277-S293 CarbonylContact O-C 3.49Å; A277-S293 VanDerWaalsContact O-CA 3.28Å; A277-S293 WeakPolarHBondContact O-CA 3.29Å; S293-V305 CarbonylContact O-C 3.53Å; S293-V305 WeakPolarHBondContact O-CA 3.46Å; S293-G306 PolarHBondContact N-O 2.87Å; S293-G306 PolarHBondContact O-N 2.82Å; S293-G306 WeakPolarHBondContact OG-CA 3.32Å
294G96.3Very high91.5Very high19 Ų1976.9 Ų76.920%0.19641%0.411CS..EExtended strand (participates in β ladder)trans-145.1142.8175.300000110.6C48 S276 A277 R304C48-G294 PolarHBondContact SG-O 3.44Å; S276-G294 CarbonylContact C-O 3.54Å; S276-G294 WeakPolarHBondContact CA-O 3.38Å; A277-G294 PolarHBondContact N-O 2.8Å; A277-G294 PolarHBondContact O-N 3.02Å; G294-R304 CarbonylContact C-O 3.54Å; G294-R304 WeakPolarHBondContact CA-O 3.33Å
295V96.4Very high92.1Very high35 Ų3576.4 Ų76.421%0.21241%0.405CS..EExtended strand (participates in β ladder)trans-131.1129.7169-176.90000108C48 T274 V275 F303 R304C48-V295 HydrophobicContact CB-CG2 3.34Å; T274-V295 HydrophobicContact CG2-CG1 3.6Å; V275-V295 CarbonylContact O-C 3.56Å; V275-V295 WeakPolarHBondContact O-CA 3.49Å; V295-F303 WeakPolarHBondContact O-CA 3.41Å; V295-R304 PolarHBondContact N-O 2.89Å; V295-R304 PolarHBondContact O-N 2.96Å
296M95.5Very high92.7Very high67 Ų6770 Ų7033%0.3336%0.363SS..EExtended strand (participates in β ladder)trans-129.6129.1178.9-172.817669.700109T274 V275 N298 V302 F303T274-M296 CarbonylContact C-O 3.48Å; T274-M296 WeakPolarHBondContact CA-O 3.35Å; V275-M296 PolarHBondContact N-O 3.41Å; V275-M296 PolarHBondContact O-N 3.25Å; M296-N298 WeakPolarHBondContact CG-OD1 3.38Å; M296-N298 PolarHBondContact SD-OD1 2.93Å; M296-V302 CarbonylContact C-O 3.53Å; M296-V302 WeakPolarHBondContact CA-O 3.24Å; M296-F303 HydrophobicContact CB-CD2 3.86Å; M296-F303 HydrophobicContact CB-CE2 4.33Å; M296-F303 HydrophobicContact CG-CD2 4Å; M296-F303 HydrophobicContact SD-CD2 4.49Å
297N94.7Very high93.3Very high9 Ų967.9 Ų67.95%0.04835%0.354CS..EExtended strand (participates in β ladder)trans-126.5107.9166.5-174.3-57000108.1N272 T274 V299 K300 N301 V302N272-N297 PolarHBondContact O-ND2 2.96Å; T274-N297 HydrophobicContact CG2-CB 4.4Å; T274-N297 PolarHBondContact OG1-ND2 2.94Å; N297-V299 WeakPolarHBondContact OD1-CB 3.47Å; N297-V299 PolarHBondContact OD1-N 3.08Å; N297-V299 VanDerWaalsContact OD1-N 3.08Å; N297-K300 HydrophobicContact CB-CB 4.42Å; N297-K300 PolarHBondContact OD1-N 3.29Å; N297-N301 WeakPolarHBondContact O-CA 3.22Å; N297-N301 PolarHBondContact O-N 3.16Å; N297-V302 PolarHBondContact N-O 2.87Å; N297-V302 PolarHBondContact O-N 2.61Å
298N85.3Confident93.8Very high110 Ų11064.5 Ų64.559%0.58833%0.332SS*.THydrogen-bonded Turntrans-70.2-33.2-176.1-70.8-24.7000112.4M296 K300 N301M296-N298 WeakPolarHBondContact CG-OD1 3.38Å; M296-N298 PolarHBondContact SD-OD1 2.93Å; N298-K300 VanDerWaalsContact C-N 3.34Å; N298-N301 PolarHBondContact O-N 2.86Å
299V88.7Confident94Very high106 Ų10665 Ų6564%0.64233%0.334SS*.THydrogen-bonded Turntrans-65.2-42-179.9179.60000110.6F273 N297F273-V299 HydrophobicContact CB-CG2 4.08Å; F273-V299 HydrophobicContact CD2-CG2 3.87Å; F273-V299 HydrophobicContact CG-CG2 4.32Å; N297-V299 WeakPolarHBondContact OD1-CB 3.47Å; N297-V299 PolarHBondContact OD1-N 3.08Å; N297-V299 VanDerWaalsContact OD1-N 3.08Å
300K90.9Very high94Very high148 Ų14865.1 Ų65.164%0.64334%0.335SS*.THydrogen-bonded Turntrans-89.1-3.9178.6-61.7-178.6-178.9178.40113N297 N298 V302N297-K300 HydrophobicContact CB-CB 4.42Å; N297-K300 PolarHBondContact OD1-N 3.29Å; N298-K300 VanDerWaalsContact C-N 3.34Å; K300-V302 HydrophobicContact CB-CG2 3.97Å; K300-V302 PolarHBondContact O-N 3.01Å
301N89.4Confident93.8Very high150 Ų15065.4 Ų65.480%0.80234%0.337SS*.THydrogen-bonded Turntrans49.644-172.7-161.912.5000112.9N297 N298N297-N301 WeakPolarHBondContact O-CA 3.22Å; N297-N301 PolarHBondContact O-N 3.16Å; N298-N301 PolarHBondContact O-N 2.86Å
302V90.8Very high93.1Very high57 Ų5765.7 Ų65.735%0.34535%0.345SS..EExtended strand (participates in β ladder)trans-109.7126.5179.11770000109M296 N297 K300 R304M296-V302 CarbonylContact C-O 3.53Å; M296-V302 WeakPolarHBondContact CA-O 3.24Å; N297-V302 PolarHBondContact N-O 2.87Å; N297-V302 PolarHBondContact O-N 2.61Å; K300-V302 HydrophobicContact CB-CG2 3.97Å; K300-V302 PolarHBondContact O-N 3.01Å; V302-R304 HydrophobicContact CG1-CG 4.21Å
303F92.6Very high91.5Very high139 Ų13965.4 Ų65.461%0.6136%0.362SS*.EExtended strand (participates in β ladder)trans-130.2130.5173.4-175.4-111.8000109.8V295 M296 V305V295-F303 WeakPolarHBondContact O-CA 3.41Å; M296-F303 HydrophobicContact CB-CD2 3.86Å; M296-F303 HydrophobicContact CB-CE2 4.33Å; M296-F303 HydrophobicContact CG-CD2 4Å; M296-F303 HydrophobicContact SD-CD2 4.49Å; F303-V305 HydrophobicContact CD1-CG2 3.9Å; F303-V305 HydrophobicContact CE1-CG2 3.11Å; F303-V305 HydrophobicContact CE2-CG2 4.25Å; F303-V305 HydrophobicContact CZ-CG2 3.32Å
304R93.7Very high91.3Very high114 Ų11468.3 Ų68.343%0.4338%0.377SS..EExtended strand (participates in β ladder)trans-133.5138.2-179.4-64.3-179.6-172.5165.8-0.3109.4D50 G294 V295 V302D50-R304 HydrophobicContact CB-CB 4.2Å; G294-R304 CarbonylContact C-O 3.54Å; G294-R304 WeakPolarHBondContact CA-O 3.33Å; V295-R304 PolarHBondContact N-O 2.89Å; V295-R304 PolarHBondContact O-N 2.96Å; V302-R304 HydrophobicContact CG1-CG 4.21Å
305V95.2Very high91Very high73 Ų7370.9 Ų70.944%0.44239%0.387SS..EExtended strand (participates in β ladder)trans-131.7132.9-177.6-179.90000109.3D50 G51 S293 F303D50-V305 PolarHBondContact OD1-N 3.02Å; G51-V305 PolarHBondContact N-O 3.11Å; S293-V305 CarbonylContact O-C 3.53Å; S293-V305 WeakPolarHBondContact O-CA 3.46Å; F303-V305 HydrophobicContact CD1-CG2 3.9Å; F303-V305 HydrophobicContact CE1-CG2 3.11Å; F303-V305 HydrophobicContact CE2-CG2 4.25Å; F303-V305 HydrophobicContact CZ-CG2 3.32Å
306G95.8Very high90.7Very high0 Ų072.9 Ų72.90%040%0.396CS..EExtended strand (participates in β ladder)trans-115.5134.3177.400000111.8F49 G51 L292 S293F49-G306 VanDerWaalsContact O-CA 3.32Å; F49-G306 WeakPolarHBondContact O-CA 3.3Å; F49-G306 PolarHBondContact O-N 3.14Å; G51-G306 CarbonylContact O-C 3.56Å; G51-G306 WeakPolarHBondContact O-CA 3.41Å; L292-G306 WeakPolarHBondContact CA-O 3.49Å; S293-G306 PolarHBondContact N-O 2.87Å; S293-G306 PolarHBondContact O-N 2.82Å; S293-G306 WeakPolarHBondContact OG-CA 3.32Å
307L96.9Very high90.4Very high69 Ų6973.2 Ų73.236%0.36140%0.4SS..EExtended strand (participates in β ladder)trans-120.4122.6166.8177.268.1000109.6G51 A52 K53 I290 I291 L292 F309G51-L307 PolarHBondContact O-N 2.92Å; A52-L307 CarbonylContact C-O 3.59Å; A52-L307 WeakPolarHBondContact CA-O 3.46Å; K53-L307 PolarHBondContact N-O 3.08Å; I290-L307 HydrophobicContact CG2-CD1 4.19Å; I291-L307 CarbonylContact O-C 3.56Å; L292-L307 HydrophobicContact CD2-CD1 3.42Å; L292-L307 VanDerWaalsContact CD2-CD1 3.42Å; L292-L307 HydrophobicContact CG-CD1 4.34Å; L307-F309 HydrophobicContact CD1-CE2 4.22Å; L307-F309 HydrophobicContact CD1-CZ 4.28Å; L307-F309 HydrophobicContact CD2-CE2 3.7Å; L307-F309 HydrophobicContact CD2-CZ 4.1Å; L307-F309 HydrophobicContact CG-CD2 4.49Å; L307-F309 HydrophobicContact CG-CE2 3.74Å; L307-F309 HydrophobicContact CG-CZ 4.26Å
308G96.1Very high90.1Very high2 Ų277.3 Ų77.32%0.02142%0.422CS..EExtended strand (participates in β ladder)trans-122.9141-173.900000111.6K53 I290 I291K53-G308 CarbonylContact O-C 3.43Å; K53-G308 WeakPolarHBondContact O-CA 3.42Å; I290-G308 CarbonylContact C-O 3.51Å; I290-G308 WeakPolarHBondContact CA-O 3.09Å; I291-G308 PolarHBondContact N-O 3.04Å; I291-G308 PolarHBondContact O-N 3.29Å
309F95.3Very high90.5Very high85 Ų8575.1 Ų75.137%0.37341%0.411SS..EExtended strand (participates in β ladder)trans-122.8125.4169.4-66.1-87.7000108.8K53 L54 L55 T289 I290 L307K53-F309 PolarHBondContact O-N 2.82Å; L54-F309 CarbonylContact C-O 3.55Å; L54-F309 WeakPolarHBondContact CA-O 3.44Å; L54-F309 HydrophobicContact CD1-CB 3.87Å; L55-F309 PolarHBondContact N-O 3.25Å; T289-F309 WeakPolarHBondContact O-CA 3.16Å; I290-F309 HydrophobicContact CD1-CE1 4.03Å; I290-F309 HydrophobicContact CG1-CD1 4.02Å; I290-F309 HydrophobicContact CG1-CE1 3.85Å; L307-F309 HydrophobicContact CD1-CE2 4.22Å; L307-F309 HydrophobicContact CD1-CZ 4.28Å; L307-F309 HydrophobicContact CD2-CE2 3.7Å; L307-F309 HydrophobicContact CD2-CZ 4.1Å; L307-F309 HydrophobicContact CG-CD2 4.49Å; L307-F309 HydrophobicContact CG-CE2 3.74Å; L307-F309 HydrophobicContact CG-CZ 4.26Å
310V94.5Very high90.6Very high28 Ų2872.9 Ų72.917%0.1740%0.395CS..EExtended strand (participates in β ladder)trans-112.2120.5171.1-173.90000108.3L55 F288 T289 I291L55-V310 HydrophobicContact CB-CB 4.46Å; L55-V310 HydrophobicContact CB-CG1 4.27Å; L55-V310 HydrophobicContact CB-CG2 4.13Å; L55-V310 HydrophobicContact CD2-CG1 3.92Å; L55-V310 HydrophobicContact CD2-CG2 4.17Å; L55-V310 HydrophobicContact CG-CG1 4.33Å; L55-V310 CarbonylContact O-C 3.51Å; L55-V310 VanDerWaalsContact O-CA 3.28Å; L55-V310 WeakPolarHBondContact O-CA 3.48Å; F288-V310 CarbonylContact C-O 3.55Å; F288-V310 WeakPolarHBondContact CA-O 3.47Å; T289-V310 PolarHBondContact N-O 3.02Å; T289-V310 PolarHBondContact O-N 3.22Å; I291-V310 HydrophobicContact CD1-CG2 3.68Å; I291-V310 HydrophobicContact CG1-CG2 4.36Å
311L91.9Very high90.6Very high53 Ų5367.1 Ų67.128%0.27738%0.376SS..EExtended strand (participates in β ladder)trans-105.6114.2170.3176.755.8000108L55 I56 N57 P287 F288L55-L311 PolarHBondContact O-N 3.1Å; I56-L311 WeakPolarHBondContact CA-O 3.32Å; I56-L311 HydrophobicContact CG1-CB 4.48Å; I56-L311 HydrophobicContact CG2-CD2 4.4Å; N57-L311 PolarHBondContact N-O 2.84Å; P287-L311 HydrophobicContact CG-CD1 3.99Å; F288-L311 HydrophobicContact CD1-CB 4.18Å; F288-L311 HydrophobicContact CD1-CD1 3.77Å; F288-L311 HydrophobicContact CD1-CG 4.47Å; F288-L311 HydrophobicContact CE1-CB 4.12Å; F288-L311 HydrophobicContact CE1-CD1 3.53Å; F288-L311 HydrophobicContact CE1-CD2 4.07Å; F288-L311 HydrophobicContact CE1-CG 4.1Å; F288-L311 HydrophobicContact CG-CD1 4.46Å; F288-L311 HydrophobicContact CZ-CD1 4.01Å
312G82.7Confident90.7Very high27 Ų2760.2 Ų60.228%0.27834%0.34SS..EExtended strand (participates in β ladder)trans-98.4149170.800000111.1P287P287-G312 WeakPolarHBondContact CB-O 3.42Å; P287-G312 WeakPolarHBondContact CG-O 3.43Å; P287-G312 PolarHBondContact O-N 3.31Å
313G62.4Low90.6Very high75 Ų7560.5 Ų60.577%0.77334%0.34SS*.  trans169.20168.800000115.5N57 K58 G59N57-G313 PolarHBondContact O-N 2.76Å; K58-G313 CarbonylContact C-O 3.56Å; K58-G313 VanDerWaalsContact CA-O 3.26Å; K58-G313 WeakPolarHBondContact CA-O 3.42Å; K58-G313 WeakPolarHBondContact CD-O 3.46Å; K58-G313 PolarHBondContact NZ-OXT 3.13Å; G59-G313 PolarHBondContact N-O 2.8Å

Retrieved 313 of 313 residues in 987.9 ms (Link to these results)