A0A077Z342_TRITR Loading...

Peptidase M23 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z342, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 326 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
1M34.4Very low34.4Very low249 Ų249164.9 Ų164.9100%1.22788%0.877SS**  0110.20-76.9171.3174.200107.4
2M36.8Very low34.3Very low180 Ų180161.3 Ų161.389%0.88787%0.867SS**  trans-83.5158.2177.7-69.3-169.7164.100110.5
3P36.1Very low34.3Very low114 Ų114157.2 Ų157.274%0.7486%0.857SS**  -140.8128.279.932.9-12.6000114.6
4T36.2Very low34.7Very low128 Ų128149.6 Ų149.679%0.78582%0.822SS**  82.7118.8100.362.20000116.3
5A39Very low35.5Very low103 Ų103144.7 Ų144.785%0.85179%0.791SS**PPolyproline II helixtrans-77143.1-179.900000113.1
6R37.4Very low36.1Very low246 Ų246137.1 Ų137.193%0.92875%0.751SS**PPolyproline II helixtrans-72.8117.7165.8-94.1172.9160.1177.9-5.4109.5
7E36.6Very low37.2Very low188 Ų188133.7 Ų133.788%0.87973%0.728SS**PPolyproline II helixtrans-86.8118.4159.6-90.2169.3152.700109.6L9E7-L9 PolarHBondContact O-N 2.9Å
8L33.9Very low38.8Very low163 Ų163126.6 Ų126.685%0.85369%0.691SS**PPolyproline II helixtrans-67117.3167.4-88.5121.3000109.3I10L8-I10 PolarHBondContact O-N 3.31Å
9L31.2Very low41.1Very low165 Ų165120.5 Ų120.586%0.86466%0.658SS**  trans-69.1112.6161.8-98.886.7000109E7 C11E7-L9 PolarHBondContact O-N 2.9Å; L9-C11 PolarHBondContact O-N 2.71Å
10I31.2Very low43.6Very low149 Ų149115 Ų11576%0.76463%0.628SS**  trans-73.4114.6165.3-64.4168.3000107.1L8 T12L8-I10 PolarHBondContact O-N 3.31Å; I10-T12 PolarHBondContact O-N 3.26Å
11C25.5Very low45.6Very low129 Ų129109.7 Ų109.787%0.87260%0.6SS**  trans-66.995.3167.8-81.30000109.1L9 S13L9-C11 PolarHBondContact O-N 2.71Å; C11-S13 PolarHBondContact O-N 2.98Å
12T32.7Very low48.4Very low122 Ų12299.4 Ų99.475%0.74855%0.551SS**  trans-64.4131.2160.1510000107.8I10 S14I10-T12 PolarHBondContact O-N 3.26Å; T12-S14 PolarHBondContact O-N 3.47Å
13S35.2Very low51.3Low107 Ų10790.8 Ų90.875%0.74851%0.508SS*.  trans-52.2113178.549.30000109.9C11 E15C11-S13 PolarHBondContact O-N 2.98Å; S13-E15 PolarHBondContact O-N 3.35Å
14S40Very low54.2Low51 Ų5185.4 Ų85.436%0.35747%0.473SS..  trans-65102.8172.9580000108.4T12 R279T12-S14 PolarHBondContact O-N 3.47Å; S14-R279 PolarHBondContact OG-NE 3.47Å; S14-R279 VanDerWaalsContact OG-NE 3.14Å; S14-R279 PolarHBondContact OG-NH2 2.99Å
15E45.8Very low57.1Low77 Ų7782.6 Ų82.636%0.3645%0.451SS..PPolyproline II helixtrans-64.5142.8170.8-71.4179.117100110.1S13 H17 S21 K121S13-E15 PolarHBondContact O-N 3.35Å; E15-H17 PolarHBondContact O-N 3.4Å; E15-S21 VanDerWaalsContact OE2-CA 3.25Å; E15-S21 WeakPolarHBondContact OE2-CA 3.25Å; E15-S21 VanDerWaalsContact OE2-CB 3.22Å; E15-S21 WeakPolarHBondContact OE2-CB 3.32Å; E15-K121 WeakPolarHBondContact OE2-CE 3.33Å; E15-K121 IonicContact OE2-NZ 3.96Å; E15-K121 PolarHBondContact OE2-NZ 2.77Å
16P45.8Very low59.7Low23 Ų2381.5 Ų81.515%0.14945%0.45CS..PPolyproline II helixtrans-54.6135179.618.9-29.3000111.2G18 C19P16-G18 PolarHBondContact O-N 3.37Å; P16-C19 HydrophobicContact CG-CB 4.17Å; P16-C19 PolarHBondContact O-N 2.78Å
17H55.2Low62.5Low79 Ų7970.4 Ų70.437%0.36641%0.409SS..THydrogen-bonded Turntrans-74.8126.1-178.9-69.1-96.5000110.4E15 Q280E15-H17 PolarHBondContact O-N 3.4Å; H17-Q280 HydrophobicContact CB-CG 4.31Å; H17-Q280 PolarHBondContact CD2-O 2.86Å; H17-Q280 PolarHBondContact O-OE1 2.88Å
18G65.5Low65.1Low6 Ų666.8 Ų66.86%0.06240%0.4CS..THydrogen-bonded Turntrans103.3-1.9-172.800000114.3P16 W100P16-G18 PolarHBondContact O-N 3.37Å; G18-W100 WeakPolarHBondContact O-CH2 3.25Å
19C83.1Confident67.8Low10 Ų1063.4 Ų63.47%0.06838%0.383CS..SBendtrans-109.9140.9171.6-57.40000111.4P16 W100 K121 C165P16-C19 HydrophobicContact CG-CB 4.17Å; P16-C19 PolarHBondContact O-N 2.78Å; C19-W100 WeakPolarHBondContact O-CZ2 3.45Å; C19-K121 WeakPolarHBondContact O-CE 3.15Å; C19-K121 PolarHBondContact O-NZ 3.39Å; C19-C165 WeakPolarHBondContact CA-SG 3.36Å; C19-C165 HydrophobicContact CB-CB 3.42Å; C19-C165 VanDerWaalsContact CB-CB 3.42Å; C19-C165 WeakPolarHBondContact CB-SG 3.21Å; C19-C165 WeakPolarHBondContact SG-CB 3.24Å; C19-C165 PolarHBondContact SG-O 3.3Å; C19-C165 VanDerWaalsContact SG-O 3.39Å; C19-C165 CovalentContact SG-SG 2.03Å; C19-C165 PolarHBondContact SG-SG 3.34Å
20I89.7Confident70.9Confident10 Ų1055.8 Ų55.85%0.05134%0.343CS..PPolyproline II helixtrans-73.9135.2-176.5-65.7170.7000109.4I23 P71 W100 F147 L149 H161 L162I20-I23 HydrophobicContact CG2-CD1 3.83Å; I20-I23 HydrophobicContact CG2-CG1 3.91Å; I20-P71 HydrophobicContact CB-CB 4.42Å; I20-P71 HydrophobicContact CG1-CB 4.35Å; I20-P71 HydrophobicContact CG2-CB 3.41Å; I20-P71 VanDerWaalsContact CG2-CB 3.41Å; I20-W100 HydrophobicContact CG1-CH2 3.64Å; I20-W100 HydrophobicContact CG1-CZ3 4.04Å; I20-F147 HydrophobicContact CD1-CE1 3.81Å; I20-F147 HydrophobicContact CD1-CZ 3.68Å; I20-L149 HydrophobicContact CD1-CD2 4.14Å; I20-H161 WeakPolarHBondContact CB-O 3.39Å; I20-H161 HydrophobicContact CD1-CB 3.59Å; I20-H161 HydrophobicContact CG1-CB 4.07Å; I20-H161 PolarHBondContact N-O 3.18Å; I20-L162 HydrophobicContact CB-CD2 4.12Å; I20-L162 HydrophobicContact CD1-CD2 3.98Å; I20-L162 HydrophobicContact CD1-CG 4.2Å; I20-L162 HydrophobicContact CG2-CD2 3.67Å
21S86.5Confident73.9Confident5 Ų551.2 Ų51.24%0.03532%0.322CS..PPolyproline II helixtrans-66.5172.9173.646.70000112.1E15 I23 N30 A70 P71E15-S21 VanDerWaalsContact OE2-CA 3.25Å; E15-S21 WeakPolarHBondContact OE2-CA 3.25Å; E15-S21 VanDerWaalsContact OE2-CB 3.22Å; E15-S21 WeakPolarHBondContact OE2-CB 3.32Å; S21-I23 PolarHBondContact O-N 3.43Å; S21-N30 PolarHBondContact O-ND2 3.4Å; S21-A70 PolarHBondContact OG-O 2.97Å; S21-P71 PolarHBondContact N-O 3.45Å; S21-P71 PolarHBondContact OG-O 2.87Å
22T93.5Very high77.2Confident32 Ų3246.2 Ų46.220%0.19629%0.287CS..PPolyproline II helixtrans-47.8128.1158.5-57.70000110.6C24 N27 T28T22-C24 VanDerWaalsContact CG2-O 3.31Å; T22-C24 WeakPolarHBondContact CG2-O 3.11Å; T22-N27 WeakPolarHBondContact CG2-O 3.33Å; T22-T28 PolarHBondContact OG1-O 2.88Å
23I96.9Very high80Confident0 Ų040.8 Ų40.80%025%0.252CS..  trans-96.8-34.7179.4-60.2-169.2000111.7I20 S21 N30 I60 V68 Y69 P71 I107 I145 F147 L162I20-I23 HydrophobicContact CG2-CD1 3.83Å; I20-I23 HydrophobicContact CG2-CG1 3.91Å; S21-I23 PolarHBondContact O-N 3.43Å; I23-N30 PolarHBondContact N-OD1 2.98Å; I23-I60 HydrophobicContact CB-CD1 4.34Å; I23-I60 HydrophobicContact CD1-CD1 3.64Å; I23-I60 HydrophobicContact CG1-CD1 4.37Å; I23-V68 HydrophobicContact CG2-CG1 3.97Å; I23-V68 CarbonylContact O-C 3.57Å; I23-V68 VanDerWaalsContact O-CA 3.28Å; I23-V68 WeakPolarHBondContact O-CA 3.47Å; I23-Y69 PolarHBondContact O-N 3.38Å; I23-P71 HydrophobicContact CD1-CB 4.17Å; I23-P71 HydrophobicContact CG1-CB 4.44Å; I23-I107 HydrophobicContact CG2-CD1 4.41Å; I23-I145 HydrophobicContact CG2-CD1 3.51Å; I23-F147 HydrophobicContact CD1-CD2 3.4Å; I23-F147 HydrophobicContact CD1-CE2 3.39Å; I23-F147 HydrophobicContact CD1-CG 4.09Å; I23-F147 HydrophobicContact CD1-CZ 4.05Å; I23-L162 HydrophobicContact CD1-CD2 3.58Å; I23-L162 HydrophobicContact CG1-CD2 4.28Å
24C97.4Very high82.5Confident0 Ų042.5 Ų42.50%025%0.246CC..BIsolated β-bridgetrans-121.4137.1-176.7-177.20000112.4T22 G26 N27 C62T22-C24 VanDerWaalsContact CG2-O 3.31Å; T22-C24 WeakPolarHBondContact CG2-O 3.11Å; C24-G26 PolarHBondContact O-N 2.85Å; C24-N27 HydrophobicContact CB-CB 4.27Å; C24-N27 PolarHBondContact O-N 3.31Å; C24-C62 HydrophobicContact CB-CB 3.69Å; C24-C62 WeakPolarHBondContact CB-SG 3.23Å; C24-C62 WeakPolarHBondContact SG-CA 3.36Å; C24-C62 WeakPolarHBondContact SG-CB 3.03Å; C24-C62 CovalentContact SG-SG 2.02Å; C24-C62 PolarHBondContact SG-SG 2.79Å
25E97Very high84.6Confident69 Ų6943.4 Ų43.432%0.32225%0.252SS..THydrogen-bonded Turntrans-55.5130171.8-175.2175.3-12900110.9N27 K67 Y69E25-N27 VanDerWaalsContact C-N 3.28Å; E25-N27 PolarHBondContact O-N 2.78Å; E25-K67 HydrophobicContact CB-CB 3.99Å; E25-K67 WeakPolarHBondContact CB-O 3.47Å; E25-K67 PolarHBondContact N-O 3.43Å; E25-K67 WeakPolarHBondContact OE1-CD 3.36Å; E25-K67 WeakPolarHBondContact OE1-CE 3.17Å; E25-K67 IonicContact OE1-NZ 3.98Å; E25-K67 PolarHBondContact OE1-NZ 3.25Å; E25-K67 WeakPolarHBondContact OE2-CG 3.37Å; E25-K67 PolarHBondContact OE2-N 2.79Å; E25-Y69 HydrophobicContact CB-CE2 4.11Å
26G94.6Very high86.1Confident80 Ų8046.3 Ų46.383%0.82527%0.269SS*.THydrogen-bonded Turntrans81.7-8.7-176.200000115.6C24C24-G26 PolarHBondContact O-N 2.85Å
27N95.3Very high87.3Confident14 Ų1446.6 Ų46.68%0.07527%0.269CS..BIsolated β-bridgetrans-116.669.1176.7-174.26.6000111.3T22 C24 E25 D29 N30 T31 I60 V61T22-N27 WeakPolarHBondContact CG2-O 3.33Å; C24-N27 HydrophobicContact CB-CB 4.27Å; C24-N27 PolarHBondContact O-N 3.31Å; E25-N27 VanDerWaalsContact C-N 3.28Å; E25-N27 PolarHBondContact O-N 2.78Å; N27-D29 VanDerWaalsContact C-N 3.26Å; N27-D29 PolarHBondContact O-N 3.45Å; N27-D29 PolarHBondContact OD1-OD1 3Å; N27-N30 PolarHBondContact O-N 3.05Å; N27-N30 PolarHBondContact OD1-N 3.4Å; N27-T31 PolarHBondContact ND2-N 2.96Å; N27-T31 PolarHBondContact ND2-O 3.48Å; N27-T31 WeakPolarHBondContact OD1-CB 3.46Å; N27-T31 PolarHBondContact OD1-N 2.67Å; N27-I60 WeakPolarHBondContact ND2-CG2 3.12Å; N27-V61 PolarHBondContact ND2-O 3.39Å
28T91.8Very high87.8Confident112 Ų11250 Ų5069%0.68729%0.29SS*.THydrogen-bonded Turntrans-65.3-24.2-169.952.10000114.7T22T22-T28 PolarHBondContact OG1-O 2.88Å
29D90.9Very high88Confident92 Ų9251.4 Ų51.449%0.49230%0.295SS..THydrogen-bonded Turntrans-100.610.3-178.972-18.2000113.4N27 T31N27-D29 VanDerWaalsContact C-N 3.26Å; N27-D29 PolarHBondContact O-N 3.45Å; N27-D29 PolarHBondContact OD1-OD1 3Å; D29-T31 PolarHBondContact O-N 3.21Å; D29-T31 WeakPolarHBondContact OD1-CB 3.3Å; D29-T31 PolarHBondContact OD1-N 3.3Å; D29-T31 VanDerWaalsContact OD1-N 3.14Å; D29-T31 PolarHBondContact OD1-OG1 3.38Å; D29-T31 PolarHBondContact OD2-OG1 3.12Å
30N94.8Very high87.8Confident4 Ų452.6 Ų52.62%0.02131%0.31CS..  trans51.543.2-175.8-63.8-44.7000111.9S21 I23 N27 L32 L162 K163S21-N30 PolarHBondContact O-ND2 3.4Å; I23-N30 PolarHBondContact N-OD1 2.98Å; N27-N30 PolarHBondContact O-N 3.05Å; N27-N30 PolarHBondContact OD1-N 3.4Å; N30-L32 PolarHBondContact O-N 2.04Å; N30-L162 HydrophobicContact CB-CB 4.13Å; N30-L162 HydrophobicContact CB-CD2 4.23Å; N30-L162 PolarHBondContact ND2-O 2.85Å; N30-K163 WeakPolarHBondContact O-CE 3.46Å
31T94.9Very high87.6Confident53 Ų5352.3 Ų52.333%0.32531%0.309SS..PPolyproline II helixtrans-49.2131.4173.5-73.70000110.6N27 D29 V61N27-T31 PolarHBondContact ND2-N 2.96Å; N27-T31 PolarHBondContact ND2-O 3.48Å; N27-T31 WeakPolarHBondContact OD1-CB 3.46Å; N27-T31 PolarHBondContact OD1-N 2.67Å; D29-T31 PolarHBondContact O-N 3.21Å; D29-T31 WeakPolarHBondContact OD1-CB 3.3Å; D29-T31 PolarHBondContact OD1-N 3.3Å; D29-T31 VanDerWaalsContact OD1-N 3.14Å; D29-T31 PolarHBondContact OD1-OG1 3.38Å; D29-T31 PolarHBondContact OD2-OG1 3.12Å; T31-V61 HydrophobicContact CG2-CG2 4.24Å; T31-V61 PolarHBondContact O-N 3.43Å
32L94.3Very high87.8Confident25 Ų2552.9 Ų52.913%0.13131%0.312CS..BIsolated β-bridgetrans-89.5148.3179.2-56.8-174000108.6N30 V58 D59 I60 T159 L162N30-L32 PolarHBondContact O-N 2.04Å; L32-V58 HydrophobicContact CD1-CB 4.23Å; L32-V58 HydrophobicContact CD1-CG1 4.14Å; L32-V58 HydrophobicContact CD2-CB 3.88Å; L32-V58 HydrophobicContact CD2-CG2 3.82Å; L32-D59 CarbonylContact C-O 3.55Å; L32-D59 VanDerWaalsContact CA-O 3.3Å; L32-D59 WeakPolarHBondContact CA-O 3.34Å; L32-I60 HydrophobicContact CD2-CG1 4.04Å; L32-T159 HydrophobicContact CD1-CG2 4.4Å; L32-L162 HydrophobicContact CD2-CD1 4.36Å
33R92.3Very high87.7Confident8 Ų851.4 Ų51.43%0.0330%0.303CS..PPolyproline II helixtrans-58.2143.7169.7178.8172.982.6114.70.8109.9D37 D39 T41 G43 D59 V61 E142R33-D37 WeakPolarHBondContact CD-OD2 3.42Å; R33-D37 WeakPolarHBondContact CG-OD2 3.44Å; R33-D37 IonicContact CZ-OD2 3.04Å; R33-D37 IonicContact NE-OD2 3.79Å; R33-D37 PolarHBondContact NE-OD2 2.96Å; R33-D37 IonicContact NH1-OD2 3.76Å; R33-D37 PolarHBondContact NH1-OD2 2.83Å; R33-D39 IonicContact NH1-OD2 3.62Å; R33-T41 VanDerWaalsContact CZ-OG1 3.26Å; R33-T41 PolarHBondContact NH1-OG1 2.83Å; R33-T41 PolarHBondContact NH2-OG1 2.79Å; R33-G43 WeakPolarHBondContact O-CA 3.48Å; R33-D59 HydrophobicContact CB-CB 3.82Å; R33-D59 IonicContact CZ-OD2 3.45Å; R33-D59 PolarHBondContact N-O 3.43Å; R33-D59 IonicContact NE-OD2 3.53Å; R33-D59 PolarHBondContact NE-OD2 3.25Å; R33-D59 IonicContact NH2-OD2 2.7Å; R33-D59 PolarHBondContact NH2-OD2 3.17Å; R33-V61 HydrophobicContact CB-CG2 4.32Å; R33-E142 WeakPolarHBondContact CA-OE2 3.22Å; R33-E142 HydrophobicContact CG-CB 4.15Å; R33-E142 WeakPolarHBondContact CG-OE2 3.25Å
34K87.8Confident87.6Confident143 Ų14353.5 Ų53.562%0.62232%0.318SS*.PPolyproline II helixtrans-69.2173.5-171.6-63.6175.7-174.1169.10112.8G43K34-G43 PolarHBondContact O-N 2.98Å; K34-G43 VanDerWaalsContact O-N 3.07Å
35C83.9Confident87.3Confident69 Ų6955.4 Ų55.447%0.46633%0.325SS..BIsolated β-bridgetrans-140.8137.8176-60.50000109.1C42 G43C35-C42 HydrophobicContact CB-CB 3.67Å; C35-C42 WeakPolarHBondContact CB-SG 3.29Å; C35-C42 VanDerWaalsContact SG-CA 3.5Å; C35-C42 WeakPolarHBondContact SG-CB 3.19Å; C35-C42 CovalentContact SG-SG 2.02Å; C35-C42 PolarHBondContact SG-SG 2.68Å; C35-G43 PolarHBondContact SG-N 2.62Å; C35-G43 VanDerWaalsContact SG-N 3.43Å
36L77.2Confident87.1Confident139 Ų13956.9 Ų56.973%0.72833%0.331SS*.SBendcis-73132.2-25.6-76.6148.4000108.9G40L36-G40 VanDerWaalsContact CD2-O 3.25Å; L36-G40 WeakPolarHBondContact CD2-O 3.5Å
37D70.7Confident86.8Confident28 Ų2853.1 Ų53.115%0.1529%0.292CS..  trans-71.6170.6173.3-82.1-13.3000111.5R33 D39 G40 T41R33-D37 WeakPolarHBondContact CD-OD2 3.42Å; R33-D37 WeakPolarHBondContact CG-OD2 3.44Å; R33-D37 IonicContact CZ-OD2 3.04Å; R33-D37 IonicContact NE-OD2 3.79Å; R33-D37 PolarHBondContact NE-OD2 2.96Å; R33-D37 IonicContact NH1-OD2 3.76Å; R33-D37 PolarHBondContact NH1-OD2 2.83Å; D37-D39 VanDerWaalsContact CB-OD1 3.28Å; D37-D39 WeakPolarHBondContact CB-OD1 3.31Å; D37-D39 PolarHBondContact O-N 3.02Å; D37-G40 PolarHBondContact O-N 3.32Å; D37-T41 PolarHBondContact N-O 2.94Å
38L65.5Low86.4Confident152 Ų15256.1 Ų56.180%0.79630%0.304SS*.THydrogen-bonded Turntrans-54.4-24.6178-67.3170.6000113.1P140L38-P140 HydrophobicContact CD1-CG 4.31Å
39D70.8Confident86.1Confident34 Ų3452 Ų5218%0.18228%0.276CS..THydrogen-bonded Turntrans-94.53.1179.469.4-7.1000114R33 D37 T41 F141R33-D39 IonicContact NH1-OD2 3.62Å; D37-D39 VanDerWaalsContact CB-OD1 3.28Å; D37-D39 WeakPolarHBondContact CB-OD1 3.31Å; D37-D39 PolarHBondContact O-N 3.02Å; D39-T41 VanDerWaalsContact C-N 3.28Å; D39-T41 PolarHBondContact O-N 2.75Å; D39-T41 WeakPolarHBondContact OD1-CB 3.26Å; D39-T41 PolarHBondContact OD1-N 2.96Å; D39-T41 PolarHBondContact OD1-OG1 2.77Å; D39-T41 WeakPolarHBondContact OD2-CG2 3.38Å; D39-T41 PolarHBondContact OD2-OG1 3.27Å; D39-F141 WeakPolarHBondContact OD2-CD1 3.49Å; D39-F141 WeakPolarHBondContact OD2-CE1 3.33Å
40G78Confident85.5Confident36 Ų3652.9 Ų52.937%0.37128%0.276SS..SBendtrans76.68.8-17700000114.7L36 D37L36-G40 VanDerWaalsContact CD2-O 3.25Å; L36-G40 WeakPolarHBondContact CD2-O 3.5Å; D37-G40 PolarHBondContact O-N 3.32Å
41T86.3Confident84.7Confident4 Ų455.4 Ų55.43%0.02529%0.289CS..  trans-93.5172.6175.571.10000111.6R33 D37 D39 K48 F50R33-T41 VanDerWaalsContact CZ-OG1 3.26Å; R33-T41 PolarHBondContact NH1-OG1 2.83Å; R33-T41 PolarHBondContact NH2-OG1 2.79Å; D37-T41 PolarHBondContact N-O 2.94Å; D39-T41 VanDerWaalsContact C-N 3.28Å; D39-T41 PolarHBondContact O-N 2.75Å; D39-T41 WeakPolarHBondContact OD1-CB 3.26Å; D39-T41 PolarHBondContact OD1-N 2.96Å; D39-T41 PolarHBondContact OD1-OG1 2.77Å; D39-T41 WeakPolarHBondContact OD2-CG2 3.38Å; D39-T41 PolarHBondContact OD2-OG1 3.27Å; T41-K48 VanDerWaalsContact CA-O 3.3Å; T41-K48 WeakPolarHBondContact CA-O 3.46Å; T41-K48 VanDerWaalsContact CB-O 3.28Å; T41-K48 WeakPolarHBondContact CB-O 3.28Å; T41-F50 HydrophobicContact CG2-CB 4.42Å
42C90Very high84Confident17 Ų1759.2 Ų59.212%0.11530%0.304CS..BIsolated β-bridgetrans-144.6132.2-175.41660000110.9C35 S44 G47 K48 R49C35-C42 HydrophobicContact CB-CB 3.67Å; C35-C42 WeakPolarHBondContact CB-SG 3.29Å; C35-C42 VanDerWaalsContact SG-CA 3.5Å; C35-C42 WeakPolarHBondContact SG-CB 3.19Å; C35-C42 CovalentContact SG-SG 2.02Å; C35-C42 PolarHBondContact SG-SG 2.68Å; C42-S44 VanDerWaalsContact C-N 3.35Å; C42-S44 PolarHBondContact SG-OG 2.97Å; C42-G47 WeakPolarHBondContact O-CA 3.23Å; C42-K48 PolarHBondContact N-O 3.04Å; C42-R49 PolarHBondContact O-NH1 3.45Å
43G91.7Very high83.7Confident0 Ų065.6 Ų65.60%033%0.326CS..  trans-80.4-6.6-177.700000116.2R33 K34 C35 V58 D59R33-G43 WeakPolarHBondContact O-CA 3.48Å; K34-G43 PolarHBondContact O-N 2.98Å; K34-G43 VanDerWaalsContact O-N 3.07Å; C35-G43 PolarHBondContact SG-N 2.62Å; C35-G43 VanDerWaalsContact SG-N 3.43Å; G43-V58 WeakPolarHBondContact O-CA 3.4Å; G43-D59 WeakPolarHBondContact CA-OD2 3.35Å; G43-D59 PolarHBondContact O-N 3.26Å
44S93.6Very high83.5Confident45 Ų4571.3 Ų71.332%0.31535%0.351SS..SBendtrans-73.7168.8-179.874.30000112.8C42 F46 G47C42-S44 VanDerWaalsContact C-N 3.35Å; C42-S44 PolarHBondContact SG-OG 2.97Å; S44-F46 PolarHBondContact O-N 2.82Å; S44-G47 WeakPolarHBondContact O-CA 3.31Å; S44-G47 PolarHBondContact O-N 2.82Å
45Y92.3Very high83.5Confident39 Ų3965.9 Ų65.915%0.15333%0.33CS..THydrogen-bonded Turntrans-58.9136.9170-172.9-110.7000109.8G47 K56 G57 I156 D157Y45-G47 PolarHBondContact O-N 2.92Å; Y45-K56 HydrophobicContact CE2-CB 4.02Å; Y45-G57 WeakPolarHBondContact CA-O 3.25Å; Y45-I156 WeakPolarHBondContact CE2-O 3.25Å; Y45-D157 WeakPolarHBondContact CB-OD1 3.38Å; Y45-D157 HydrophobicContact CD1-CB 3.57Å; Y45-D157 WeakPolarHBondContact CD1-OD2 3.28Å; Y45-D157 HydrophobicContact CD2-CB 4.22Å; Y45-D157 HydrophobicContact CE1-CB 3.74Å; Y45-D157 HydrophobicContact CE2-CB 4.36Å; Y45-D157 HydrophobicContact CG-CB 3.84Å
46F92Very high83.9Confident100 Ų10067.2 Ų67.244%0.43933%0.328SS..THydrogen-bonded Turntrans55.231.3-167.3-78.5-80.5000113.6S44 F54 V55 K56S44-F46 PolarHBondContact O-N 2.82Å; F46-F54 HydrophobicContact CD1-CB 4.08Å; F46-F54 VanDerWaalsContact O-CD1 3.24Å; F46-F54 WeakPolarHBondContact O-CD1 3.07Å; F46-V55 VanDerWaalsContact CA-O 3.25Å; F46-V55 WeakPolarHBondContact CA-O 3.28Å; F46-V55 PolarHBondContact N-O 2.8Å; F46-K56 HydrophobicContact CD1-CG 4.31Å; F46-K56 HydrophobicContact CE1-CD 4.37Å; F46-K56 HydrophobicContact CE1-CG 3.82Å; F46-K56 HydrophobicContact CE2-CG 4.26Å; F46-K56 HydrophobicContact CZ-CD 4.11Å; F46-K56 VanDerWaalsContact CZ-CE 3.42Å; F46-K56 HydrophobicContact CZ-CG 3.81Å
47G88.7Confident84.7Confident1 Ų160.6 Ų60.61%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-69139173.300000112.2C42 S44 Y45 R49 V55C42-G47 WeakPolarHBondContact O-CA 3.23Å; S44-G47 WeakPolarHBondContact O-CA 3.31Å; S44-G47 PolarHBondContact O-N 2.82Å; Y45-G47 PolarHBondContact O-N 2.92Å; G47-R49 PolarHBondContact O-NH1 3.47Å; G47-R49 VanDerWaalsContact O-NH1 3.15Å; G47-V55 PolarHBondContact O-N 2.82Å
48K86.9Confident85.9Confident77 Ų7759.3 Ų59.334%0.33529%0.286SS..EExtended strand (participates in β ladder)trans-65.6136.2174.5-168.9178.1-179-179.40109.7T41 C42 E52 F54T41-K48 VanDerWaalsContact CA-O 3.3Å; T41-K48 WeakPolarHBondContact CA-O 3.46Å; T41-K48 VanDerWaalsContact CB-O 3.28Å; T41-K48 WeakPolarHBondContact CB-O 3.28Å; C42-K48 PolarHBondContact N-O 3.04Å; K48-E52 IonicContact NZ-OE1 2.85Å; K48-E52 PolarHBondContact NZ-OE1 3.35Å; K48-F54 HydrophobicContact CB-CD1 4.23Å; K48-F54 HydrophobicContact CB-CE1 3.89Å; K48-F54 HydrophobicContact CG-CE1 4.31Å
49R84.9Confident87.3Confident26 Ų2652 Ų5210%0.09825%0.248CC..PPolyproline II helixtrans-103.5171.9170.9-61.9-64.1178.7-95.58.3110.5C42 G47 D51 E52 R53 V55 D59C42-R49 PolarHBondContact O-NH1 3.45Å; G47-R49 PolarHBondContact O-NH1 3.47Å; G47-R49 VanDerWaalsContact O-NH1 3.15Å; R49-D51 PolarHBondContact O-N 3.45Å; R49-E52 PolarHBondContact O-N 3.14Å; R49-R53 WeakPolarHBondContact CB-O 3.44Å; R49-R53 PolarHBondContact N-O 2.87Å; R49-V55 HydrophobicContact CG-CB 4.35Å; R49-V55 HydrophobicContact CG-CG2 3.43Å; R49-V55 VanDerWaalsContact CG-CG2 3.43Å; R49-D59 IonicContact CZ-OD1 3.39Å; R49-D59 IonicContact CZ-OD2 3.43Å; R49-D59 IonicContact NH1-OD2 3.39Å; R49-D59 IonicContact NH2-OD1 2.9Å; R49-D59 PolarHBondContact NH2-OD1 3.12Å; R49-D59 IonicContact NH2-OD2 3.14Å; R49-D59 PolarHBondContact NH2-OD2 2.88Å; R49-D59 VanDerWaalsContact NH2-OD2 3.14Å
50F78.1Confident88.6Confident110 Ų11050.4 Ų50.448%0.48224%0.24SC..THydrogen-bonded Turntrans-61.8-26.3-174.369.9-92.3000114.2T41 E52T41-F50 HydrophobicContact CG2-CB 4.42Å; F50-E52 VanDerWaalsContact C-N 3.27Å
51D79.1Confident89.4Confident57 Ų5749.7 Ų49.731%0.30523%0.228SC..THydrogen-bonded Turntrans-94.517.4178.659.27.6000112.4R49 R53R49-D51 PolarHBondContact O-N 3.45Å; D51-R53 VanDerWaalsContact CG-NE 3.32Å; D51-R53 PolarHBondContact O-N 3.42Å; D51-R53 VanDerWaalsContact O-N 3.09Å; D51-R53 VanDerWaalsContact OD1-CB 3.28Å; D51-R53 WeakPolarHBondContact OD1-CB 3.05Å; D51-R53 WeakPolarHBondContact OD1-CG 3.43Å; D51-R53 PolarHBondContact OD1-N 2.99Å; D51-R53 VanDerWaalsContact OD1-N 3.09Å; D51-R53 IonicContact OD1-NE 3.49Å; D51-R53 PolarHBondContact OD1-NE 2.99Å; D51-R53 IonicContact OD2-CZ 3.05Å; D51-R53 IonicContact OD2-NE 2.67Å; D51-R53 PolarHBondContact OD2-NE 3.29Å; D51-R53 IonicContact OD2-NH2 2.66Å; D51-R53 PolarHBondContact OD2-NH2 3.14Å
52E80.6Confident89.9Confident134 Ų13449.7 Ų49.763%0.62623%0.228SC*.SBendtrans65.26.6-179.7-42.2-155111.500115.3K48 R49 F50K48-E52 IonicContact NZ-OE1 2.85Å; K48-E52 PolarHBondContact NZ-OE1 3.35Å; R49-E52 PolarHBondContact O-N 3.14Å; F50-E52 VanDerWaalsContact C-N 3.27Å
53R86.6Confident90.1Very high158 Ų15854 Ų5460%0.59625%0.246SC*.PPolyproline II helixtrans-74.2148.7170.6-63.2-172.1-68.1176.3-7110.5R49 D51R49-R53 WeakPolarHBondContact CB-O 3.44Å; R49-R53 PolarHBondContact N-O 2.87Å; D51-R53 VanDerWaalsContact CG-NE 3.32Å; D51-R53 PolarHBondContact O-N 3.42Å; D51-R53 VanDerWaalsContact O-N 3.09Å; D51-R53 VanDerWaalsContact OD1-CB 3.28Å; D51-R53 WeakPolarHBondContact OD1-CB 3.05Å; D51-R53 WeakPolarHBondContact OD1-CG 3.43Å; D51-R53 PolarHBondContact OD1-N 2.99Å; D51-R53 VanDerWaalsContact OD1-N 3.09Å; D51-R53 IonicContact OD1-NE 3.49Å; D51-R53 PolarHBondContact OD1-NE 2.99Å; D51-R53 IonicContact OD2-CZ 3.05Å; D51-R53 IonicContact OD2-NE 2.67Å; D51-R53 PolarHBondContact OD2-NE 3.29Å; D51-R53 IonicContact OD2-NH2 2.66Å; D51-R53 PolarHBondContact OD2-NH2 3.14Å
54F88Confident90.2Very high128 Ų12856.3 Ų56.356%0.56127%0.266SS*.EExtended strand (participates in β ladder)trans-102.4125.2171.1-63.7-84.4000109.4F46 K48F46-F54 HydrophobicContact CD1-CB 4.08Å; F46-F54 VanDerWaalsContact O-CD1 3.24Å; F46-F54 WeakPolarHBondContact O-CD1 3.07Å; K48-F54 HydrophobicContact CB-CD1 4.23Å; K48-F54 HydrophobicContact CB-CE1 3.89Å; K48-F54 HydrophobicContact CG-CE1 4.31Å
55V89.2Confident90.3Very high29 Ų2958.2 Ų58.218%0.17627%0.272CS..EExtended strand (participates in β ladder)trans-94.9127.9-177.1173.70000110.4F46 G47 R49 G57 L146F46-V55 VanDerWaalsContact CA-O 3.25Å; F46-V55 WeakPolarHBondContact CA-O 3.28Å; F46-V55 PolarHBondContact N-O 2.8Å; G47-V55 PolarHBondContact O-N 2.82Å; R49-V55 HydrophobicContact CG-CB 4.35Å; R49-V55 HydrophobicContact CG-CG2 3.43Å; R49-V55 VanDerWaalsContact CG-CG2 3.43Å; V55-G57 PolarHBondContact O-N 2.87Å; V55-L146 HydrophobicContact CG1-CD1 3.78Å; V55-L146 HydrophobicContact CG1-CD2 4.36Å
56K92.6Very high90.5Very high98 Ų9857.2 Ų57.243%0.42627%0.271SS..SBendtrans-82.471.8170.9-70.3-176.8-175.8-1730109.5Y45 F46 Q148 L155Y45-K56 HydrophobicContact CE2-CB 4.02Å; F46-K56 HydrophobicContact CD1-CG 4.31Å; F46-K56 HydrophobicContact CE1-CD 4.37Å; F46-K56 HydrophobicContact CE1-CG 3.82Å; F46-K56 HydrophobicContact CE2-CG 4.26Å; F46-K56 HydrophobicContact CZ-CD 4.11Å; F46-K56 VanDerWaalsContact CZ-CE 3.42Å; F46-K56 HydrophobicContact CZ-CG 3.81Å; K56-Q148 PolarHBondContact O-NE2 3.35Å; K56-L155 HydrophobicContact CB-CB 4.27Å; K56-L155 HydrophobicContact CB-CD1 3.73Å; K56-L155 HydrophobicContact CB-CG 4.43Å; K56-L155 HydrophobicContact CD-CB 4.29Å; K56-L155 HydrophobicContact CD-CD1 4.02Å
57G94.1Very high90.8Very high0 Ų055.1 Ų55.10%026%0.262CS..SBendtrans-177170.8-176.900000109.4Y45 V55 F147Y45-G57 WeakPolarHBondContact CA-O 3.25Å; V55-G57 PolarHBondContact O-N 2.87Å; G57-F147 CarbonylContact C-O 3.34Å; G57-F147 VanDerWaalsContact CA-O 3.27Å; G57-F147 WeakPolarHBondContact CA-O 2.96Å
58V95.7Very high91.3Very high0 Ų055.1 Ų55.10%026%0.261CS..EExtended strand (participates in β ladder)trans-120.3146.9178.3-60.30000110.1L32 G43 I60 F147 P158 L162L32-V58 HydrophobicContact CD1-CB 4.23Å; L32-V58 HydrophobicContact CD1-CG1 4.14Å; L32-V58 HydrophobicContact CD2-CB 3.88Å; L32-V58 HydrophobicContact CD2-CG2 3.82Å; G43-V58 WeakPolarHBondContact O-CA 3.4Å; V58-I60 HydrophobicContact CG2-CG1 4.12Å; V58-F147 HydrophobicContact CG2-CB 4.08Å; V58-F147 HydrophobicContact CG2-CD1 4.3Å; V58-F147 PolarHBondContact N-O 3.29Å; V58-F147 PolarHBondContact O-N 3.24Å; V58-P158 HydrophobicContact CB-CG 4.36Å; V58-P158 HydrophobicContact CG1-CG 3.77Å; V58-P158 HydrophobicContact CG2-CG 3.69Å; V58-L162 HydrophobicContact CG2-CD1 3.53Å
59D95.2Very high91.8Very high0 Ų054 Ų540%026%0.255CS..EExtended strand (participates in β ladder)trans-92.3113.9173.3-62.4-19.1000107.8L32 R33 G43 R49 H144 I145L32-D59 CarbonylContact C-O 3.55Å; L32-D59 VanDerWaalsContact CA-O 3.3Å; L32-D59 WeakPolarHBondContact CA-O 3.34Å; R33-D59 HydrophobicContact CB-CB 3.82Å; R33-D59 IonicContact CZ-OD2 3.45Å; R33-D59 PolarHBondContact N-O 3.43Å; R33-D59 IonicContact NE-OD2 3.53Å; R33-D59 PolarHBondContact NE-OD2 3.25Å; R33-D59 IonicContact NH2-OD2 2.7Å; R33-D59 PolarHBondContact NH2-OD2 3.17Å; G43-D59 WeakPolarHBondContact CA-OD2 3.35Å; G43-D59 PolarHBondContact O-N 3.26Å; R49-D59 IonicContact CZ-OD1 3.39Å; R49-D59 IonicContact CZ-OD2 3.43Å; R49-D59 IonicContact NH1-OD2 3.39Å; R49-D59 IonicContact NH2-OD1 2.9Å; R49-D59 PolarHBondContact NH2-OD1 3.12Å; R49-D59 IonicContact NH2-OD2 3.14Å; R49-D59 PolarHBondContact NH2-OD2 2.88Å; R49-D59 VanDerWaalsContact NH2-OD2 3.14Å; D59-H144 HydrophobicContact CB-CB 4.15Å; D59-H144 VanDerWaalsContact CG-CD2 3.47Å; D59-H144 IonicContact OD1-CD2 3.32Å; D59-H144 IonicContact OD1-NE2 3.88Å; D59-H144 IonicContact OD2-CD2 3.74Å; D59-H144 IonicContact OD2-NE2 2.86Å; D59-I145 CarbonylContact C-O 3.4Å; D59-I145 WeakPolarHBondContact CA-O 3.45Å
60I96.4Very high92.4Very high0 Ų052.7 Ų52.70%025%0.251CS..EExtended strand (participates in β ladder)trans-94.5125.4177.9-59.4176.3000108.1I23 N27 L32 V58 C62 H144 I145 F147 L162I23-I60 HydrophobicContact CB-CD1 4.34Å; I23-I60 HydrophobicContact CD1-CD1 3.64Å; I23-I60 HydrophobicContact CG1-CD1 4.37Å; N27-I60 WeakPolarHBondContact ND2-CG2 3.12Å; L32-I60 HydrophobicContact CD2-CG1 4.04Å; V58-I60 HydrophobicContact CG2-CG1 4.12Å; I60-C62 PolarHBondContact O-N 3.28Å; I60-H144 CarbonylContact O-C 3.5Å; I60-H144 WeakPolarHBondContact O-CA 3.36Å; I60-H144 VanDerWaalsContact O-CB 3.27Å; I60-H144 WeakPolarHBondContact O-CB 3.25Å; I60-I145 HydrophobicContact CB-CD1 4.47Å; I60-I145 HydrophobicContact CB-CG1 3.97Å; I60-I145 PolarHBondContact N-O 3.47Å; I60-I145 PolarHBondContact O-N 2.86Å; I60-F147 HydrophobicContact CD1-CB 3.62Å; I60-F147 HydrophobicContact CD1-CD2 4.37Å; I60-F147 HydrophobicContact CD1-CG 3.94Å; I60-F147 HydrophobicContact CG1-CB 4.12Å; I60-L162 HydrophobicContact CD1-CD1 3.94Å; I60-L162 HydrophobicContact CD1-CD2 3.88Å; I60-L162 HydrophobicContact CG1-CD1 4.4Å
61V95.5Very high93.2Very high21 Ų2147.5 Ų47.513%0.12723%0.228CC..EExtended strand (participates in β ladder)trans-58.4127.5179.4178.60000109.4N27 T31 R33 E142N27-V61 PolarHBondContact ND2-O 3.39Å; T31-V61 HydrophobicContact CG2-CG2 4.24Å; T31-V61 PolarHBondContact O-N 3.43Å; R33-V61 HydrophobicContact CB-CG2 4.32Å; V61-E142 HydrophobicContact CG1-CG 4.33Å; V61-E142 HydrophobicContact CG2-CG 4.3Å
62C96.6Very high93.9Very high3 Ų344.8 Ų44.82%0.0221%0.213CC..  trans-157.4113-176.5-164.10000110.1C24 I60 S128 P143 I145C24-C62 HydrophobicContact CB-CB 3.69Å; C24-C62 WeakPolarHBondContact CB-SG 3.23Å; C24-C62 WeakPolarHBondContact SG-CA 3.36Å; C24-C62 WeakPolarHBondContact SG-CB 3.03Å; C24-C62 CovalentContact SG-SG 2.02Å; C24-C62 PolarHBondContact SG-SG 2.79Å; I60-C62 PolarHBondContact O-N 3.28Å; C62-S128 VanDerWaalsContact SG-CB 3.56Å; C62-P143 PolarHBondContact N-O 3.25Å; C62-P143 CarbonylContact O-C 3.4Å; C62-P143 WeakPolarHBondContact O-CB 3.02Å; C62-I145 HydrophobicContact CB-CG1 4.35Å; C62-I145 HydrophobicContact CB-CG2 4.06Å
63Q95.1Very high94.4Very high107 Ų10741.2 Ų41.250%0.520%0.199SC..  trans-62.6147.9-179.3-62.4-57.8-42.200110.3D65 S66 S128Q63-D65 PolarHBondContact O-N 2.95Å; Q63-S66 WeakPolarHBondContact CB-OG 3.46Å; Q63-S66 WeakPolarHBondContact O-CB 3.5Å; Q63-S66 PolarHBondContact O-N 2.84Å; Q63-S66 PolarHBondContact O-OG 2.94Å; Q63-S128 PolarHBondContact O-OG 3.08Å
64A93Very high94.8Very high50 Ų5033.7 Ų33.741%0.41317%0.17SC..THydrogen-bonded Turntrans-56.2140.4179.200000111.4S66A64-S66 PolarHBondContact O-N 3.49Å
65D95Very high95.3Very high84 Ų8430.5 Ų30.545%0.44916%0.161SC..THydrogen-bonded Turntrans64.66.9-178.1-154.453.8000116.2Q63 R111 R127 S128Q63-D65 PolarHBondContact O-N 2.95Å; D65-R111 IonicContact OD1-NH1 3.36Å; D65-R127 PolarHBondContact O-NH1 2.99Å; D65-R127 VanDerWaalsContact OD1-CD 3.26Å; D65-R127 WeakPolarHBondContact OD1-CD 3.08Å; D65-R127 IonicContact OD2-NH1 2.64Å; D65-S128 WeakPolarHBondContact CA-O 3.41Å; D65-S128 PolarHBondContact N-O 3.21Å; D65-S128 PolarHBondContact N-OG 2.77Å; D65-S128 VanDerWaalsContact N-OG 3.16Å
66S97.5Very high95.7Very high18 Ų1829.4 Ų29.413%0.12615%0.154CC..  trans-67.5145.8172.4-640000111.1Q63 A64 R127 S128Q63-S66 WeakPolarHBondContact CB-OG 3.46Å; Q63-S66 WeakPolarHBondContact O-CB 3.5Å; Q63-S66 PolarHBondContact O-N 2.84Å; Q63-S66 PolarHBondContact O-OG 2.94Å; A64-S66 PolarHBondContact O-N 3.49Å; S66-R127 CarbonylContact O-C 3.19Å; S66-R127 VanDerWaalsContact O-CA 3.26Å; S66-R127 WeakPolarHBondContact O-CA 3.3Å; S66-S128 PolarHBondContact N-OG 2.92Å; S66-S128 VanDerWaalsContact N-OG 3.11Å; S66-S128 PolarHBondContact O-N 2.84Å; S66-S128 PolarHBondContact O-OG 3.2Å
67K98.2Very high95.9Very high57 Ų5726.8 Ų26.825%0.24815%0.151CC..EExtended strand (participates in β ladder)trans-63.1141.6175.2-61.6171.4-166.31360110.7E25 Y69 E124E25-K67 HydrophobicContact CB-CB 3.99Å; E25-K67 WeakPolarHBondContact CB-O 3.47Å; E25-K67 PolarHBondContact N-O 3.43Å; E25-K67 WeakPolarHBondContact OE1-CD 3.36Å; E25-K67 WeakPolarHBondContact OE1-CE 3.17Å; E25-K67 IonicContact OE1-NZ 3.98Å; E25-K67 PolarHBondContact OE1-NZ 3.25Å; E25-K67 WeakPolarHBondContact OE2-CG 3.37Å; E25-K67 PolarHBondContact OE2-N 2.79Å; K67-Y69 HydrophobicContact CB-CE1 4.29Å; K67-Y69 HydrophobicContact CB-CE2 4.45Å; K67-E124 HydrophobicContact CB-CG 4.21Å; K67-E124 HydrophobicContact CD-CG 4.47Å; K67-E124 WeakPolarHBondContact CD-OE2 3.45Å; K67-E124 HydrophobicContact CG-CG 4.31Å
68V98.3Very high96Very high0 Ų030 Ų300%016%0.164CC..EExtended strand (participates in β ladder)trans-114.9134.8174.2-1780000108.5I23 I107 I110 I125 G126 I145I23-V68 HydrophobicContact CG2-CG1 3.97Å; I23-V68 CarbonylContact O-C 3.57Å; I23-V68 VanDerWaalsContact O-CA 3.28Å; I23-V68 WeakPolarHBondContact O-CA 3.47Å; V68-I107 HydrophobicContact CG1-CG2 4.22Å; V68-I110 HydrophobicContact CB-CG2 4.36Å; V68-I110 HydrophobicContact CG1-CG2 4.24Å; V68-I110 HydrophobicContact CG2-CG2 3.84Å; V68-I125 HydrophobicContact CB-CG1 4.34Å; V68-I125 HydrophobicContact CG1-CD1 4.07Å; V68-I125 HydrophobicContact CG1-CG1 4.05Å; V68-I125 VanDerWaalsContact O-CG1 3.28Å; V68-I125 WeakPolarHBondContact O-CG1 3.21Å; V68-I125 PolarHBondContact O-N 3.21Å; V68-G126 PolarHBondContact N-O 2.98Å; V68-G126 PolarHBondContact O-N 3.14Å; V68-I145 HydrophobicContact CG1-CD1 4.24Å
69Y98Very high95.9Very high53 Ų5332.3 Ų32.321%0.20818%0.175CC..EExtended strand (participates in β ladder)trans-110.8152.3-174.9-54.6-73.3000112.2I23 E25 K67 G122 A123 E124I23-Y69 PolarHBondContact O-N 3.38Å; E25-Y69 HydrophobicContact CB-CE2 4.11Å; K67-Y69 HydrophobicContact CB-CE1 4.29Å; K67-Y69 HydrophobicContact CB-CE2 4.45Å; Y69-G122 VanDerWaalsContact CD1-O 3.31Å; Y69-G122 WeakPolarHBondContact CD1-O 3.44Å; Y69-A123 CarbonylContact C-O 3.55Å; Y69-A123 VanDerWaalsContact CA-O 3.24Å; Y69-A123 WeakPolarHBondContact CA-O 3.32Å; Y69-E124 HydrophobicContact CD1-CB 4.38Å; Y69-E124 HydrophobicContact CE1-CB 4.41Å
70A97.2Very high95.8Very high0 Ų038.3 Ų38.30%020%0.197CC..  trans-66.4129.2173.900000110.4S21 F72 I94 V119 R120 G122 A123 I125S21-A70 PolarHBondContact OG-O 2.97Å; A70-F72 VanDerWaalsContact C-N 3.25Å; A70-F72 PolarHBondContact O-N 2.69Å; A70-I94 HydrophobicContact CB-CD1 4.42Å; A70-V119 HydrophobicContact CB-CB 4.19Å; A70-V119 HydrophobicContact CB-CG2 4.01Å; A70-R120 WeakPolarHBondContact CB-O 3.46Å; A70-G122 PolarHBondContact O-N 3.5Å; A70-A123 PolarHBondContact N-O 2.86Å; A70-I125 HydrophobicContact CB-CG2 3.73Å
71P95.4Very high95.3Very high0 Ų040.1 Ų40.10%021%0.209CC..SBendtrans-70.1-25.5-178.229.2-34.5000112.6I20 S21 I23 I94 A105 I107 F147I20-P71 HydrophobicContact CB-CB 4.42Å; I20-P71 HydrophobicContact CG1-CB 4.35Å; I20-P71 HydrophobicContact CG2-CB 3.41Å; I20-P71 VanDerWaalsContact CG2-CB 3.41Å; S21-P71 PolarHBondContact N-O 3.45Å; S21-P71 PolarHBondContact OG-O 2.87Å; I23-P71 HydrophobicContact CD1-CB 4.17Å; I23-P71 HydrophobicContact CG1-CB 4.44Å; P71-I94 HydrophobicContact CG-CD1 4.36Å; P71-A105 HydrophobicContact CG-CB 3.68Å; P71-I107 HydrophobicContact CG-CD1 4.28Å; P71-F147 HydrophobicContact CB-CE2 4.16Å; P71-F147 HydrophobicContact CB-CZ 4.36Å; P71-F147 HydrophobicContact CG-CE2 4.15Å
72F93Very high94.9Very high0 Ų043.4 Ų43.40%022%0.222CC..SBendtrans-162.9170-177.847.8-112.5000112.1A70 I94 G96 W100 A105 L149A70-F72 VanDerWaalsContact C-N 3.25Å; A70-F72 PolarHBondContact O-N 2.69Å; F72-I94 HydrophobicContact CD2-CG2 4.2Å; F72-I94 HydrophobicContact CE2-CB 4.32Å; F72-I94 HydrophobicContact CE2-CG2 3.88Å; F72-G96 VanDerWaalsContact CE2-CA 3.49Å; F72-W100 HydrophobicContact CB-CB 4.25Å; F72-W100 VanDerWaalsContact CB-CD1 3.42Å; F72-W100 HydrophobicContact CB-CD2 3.41Å; F72-W100 VanDerWaalsContact CB-CD2 3.41Å; F72-W100 HydrophobicContact CB-CE3 4.13Å; F72-W100 HydrophobicContact CB-CG 3.45Å; F72-W100 VanDerWaalsContact CB-CG 3.45Å; F72-W100 HydrophobicContact CB-CZ2 3.97Å; F72-W100 VanDerWaalsContact CB-NE1 3.33Å; F72-W100 AromaticContact CD1-CD2 3.59Å; F72-W100 HydrophobicContact CD1-CD2 3.59Å; F72-W100 AromaticContact CD1-CE3 3.37Å; F72-W100 HydrophobicContact CD1-CE3 3.37Å; F72-W100 HydrophobicContact CD1-CG 4.17Å; F72-W100 HydrophobicContact CD1-CH2 4.17Å; F72-W100 HydrophobicContact CD1-CZ2 4.35Å; F72-W100 AromaticContact CD1-CZ3 3.69Å; F72-W100 HydrophobicContact CD1-CZ3 3.69Å; F72-W100 HydrophobicContact CD2-CB 4.01Å; F72-W100 HydrophobicContact CD2-CD2 4.39Å; F72-W100 HydrophobicContact CD2-CG 4.1Å; F72-W100 HydrophobicContact CE1-CD2 4.4Å; F72-W100 AromaticContact CE1-CE3 3.84Å; F72-W100 HydrophobicContact CE1-CE3 3.84Å; F72-W100 HydrophobicContact CE1-CZ3 4.18Å; F72-W100 HydrophobicContact CE2-CB 4.46Å; F72-W100 HydrophobicContact CG-CB 4.07Å; F72-W100 AromaticContact CG-CD2 3.57Å; F72-W100 HydrophobicContact CG-CD2 3.57Å; F72-W100 AromaticContact CG-CE3 3.86Å; F72-W100 HydrophobicContact CG-CE3 3.86Å; F72-W100 AromaticContact CG-CG 3.68Å; F72-W100 HydrophobicContact CG-CG 3.68Å; F72-W100 HydrophobicContact CG-CZ3 4.5Å; F72-A105 HydrophobicContact CE1-CB 3.75Å; F72-A105 HydrophobicContact CE2-CB 4.43Å; F72-A105 HydrophobicContact CZ-CB 3.55Å; F72-L149 HydrophobicContact CE1-CD1 3.93Å; F72-L149 HydrophobicContact CZ-CD1 4.47Å
73D92.5Very high94.4Very high60 Ų6045.7 Ų45.732%0.32125%0.246SC..SBendtrans-65.6135.9173.5-58.6-27.6000110.7G96 D97 V119 R120 K121D73-G96 WeakPolarHBondContact O-CA 3.43Å; D73-D97 WeakPolarHBondContact CB-OD1 3.42Å; D73-D97 PolarHBondContact O-N 2.87Å; D73-V119 WeakPolarHBondContact CA-O 3.4Å; D73-R120 WeakPolarHBondContact OD1-CA 3.44Å; D73-K121 PolarHBondContact OD1-N 2.62Å
74G95.1Very high93.9Very high0 Ų045.3 Ų45.30%025%0.247CC..EExtended strand (participates in β ladder)trans177.6-173.7-17800000115.9T95 D97 K118 V119G74-T95 CarbonylContact C-O 3.53Å; G74-T95 WeakPolarHBondContact CA-O 3.46Å; G74-D97 PolarHBondContact N-OD1 2.7Å; G74-K118 WeakPolarHBondContact O-CA 3.38Å; G74-K118 WeakPolarHBondContact O-CD 3.05Å; G74-V119 PolarHBondContact N-O 2.86Å; G74-V119 PolarHBondContact O-N 3.49Å
75T97.7Very high93.4Very high60 Ų6047.1 Ų47.137%0.36826%0.257SS..EExtended strand (participates in β ladder)trans-105.2128.2173.2-52.30000109.9I94 T95 G117 K118T75-I94 WeakPolarHBondContact O-CA 3.47Å; T75-T95 PolarHBondContact N-O 3.32Å; T75-T95 PolarHBondContact O-N 3.17Å; T75-G117 CarbonylContact C-O 3.46Å; T75-G117 WeakPolarHBondContact CA-O 3.4Å; T75-K118 WeakPolarHBondContact OG1-CD 3.45Å; T75-K118 VanDerWaalsContact OG1-CE 3.28Å; T75-K118 WeakPolarHBondContact OG1-CE 3.42Å; T75-K118 PolarHBondContact OG1-NZ 3.39Å
76V97.7Very high92.9Very high6 Ų644.6 Ų44.64%0.03625%0.246CC..EExtended strand (participates in β ladder)trans-89.3141.7179.6-179.80000110.9L92 K93 I94 F114 G116 G117 V119V76-L92 HydrophobicContact CG1-CB 4.23Å; V76-L92 HydrophobicContact CG1-CD1 3.92Å; V76-L92 HydrophobicContact CG1-CD2 3.52Å; V76-L92 HydrophobicContact CG1-CG 4.09Å; V76-K93 CarbonylContact C-O 3.59Å; V76-K93 WeakPolarHBondContact CA-O 3.34Å; V76-I94 HydrophobicContact CG2-CG1 4.14Å; V76-F114 HydrophobicContact CB-CE2 4.12Å; V76-F114 HydrophobicContact CG1-CD2 4.39Å; V76-F114 HydrophobicContact CG1-CE2 4.11Å; V76-F114 HydrophobicContact CG2-CE2 3.91Å; V76-G116 VanDerWaalsContact O-CA 3.31Å; V76-G116 WeakPolarHBondContact O-CA 3.39Å; V76-G117 PolarHBondContact N-O 2.85Å; V76-V119 HydrophobicContact CG2-CB 4.06Å; V76-V119 HydrophobicContact CG2-CG1 3.38Å; V76-V119 HydrophobicContact CG2-CG2 3.52Å
77A97.2Very high92.4Very high44 Ų4446.4 Ų46.436%0.36426%0.258SS..EExtended strand (participates in β ladder)trans-135.8146.2164.700000109.1K93A77-K93 PolarHBondContact N-O 2.62Å; A77-K93 PolarHBondContact O-N 2.84Å
78Y95.4Very high91.8Very high66 Ų6643.8 Ų43.826%0.25925%0.246SC..EExtended strand (participates in β ladder)trans-65.1141175.2-178.1-128.1000112R80 D89 H90 G91 P112 Y115Y78-R80 HydrophobicContact CE1-CG 3.74Å; Y78-R80 PolarHBondContact OH-NE 3.35Å; Y78-D89 PolarHBondContact OH-O 3.38Å; Y78-H90 HydrophobicContact CE2-CB 4.41Å; Y78-H90 AromaticContact CZ-ND1 3.81Å; Y78-H90 PolarHBondContact OH-CE1 3.49Å; Y78-H90 PolarHBondContact OH-ND1 2.78Å; Y78-G91 VanDerWaalsContact CD2-O 3.23Å; Y78-G91 WeakPolarHBondContact CD2-O 3.43Å; Y78-P112 HydrophobicContact CD2-CG 4.16Å; Y78-P112 HydrophobicContact CE2-CG 4.2Å; Y78-Y115 HydrophobicContact CD1-CD1 4.19Å; Y78-Y115 AromaticContact CD2-CD1 3.6Å; Y78-Y115 HydrophobicContact CD2-CD1 3.6Å; Y78-Y115 AromaticContact CD2-CE1 3.91Å; Y78-Y115 HydrophobicContact CD2-CE1 3.91Å; Y78-Y115 HydrophobicContact CE2-CD1 4.15Å; Y78-Y115 AromaticContact CE2-CE1 3.98Å; Y78-Y115 HydrophobicContact CE2-CE1 3.98Å; Y78-Y115 AromaticContact CG-CD1 3.64Å; Y78-Y115 HydrophobicContact CG-CD1 3.64Å; Y78-Y115 HydrophobicContact CG-CE1 4.27Å; Y78-Y115 PolarHBondContact N-O 3.05Å; Y78-Y115 VanDerWaalsContact N-O 3.1Å
79H94.6Very high91.5Very high49 Ų4943.8 Ų43.823%0.22725%0.246CC..EExtended strand (participates in β ladder)trans-130.1138-179.6177.765.7000110.9G91 K93 V106H79-G91 PolarHBondContact N-O 2.98Å; H79-G91 CarbonylContact O-C 3.48Å; H79-G91 WeakPolarHBondContact O-CA 3.31Å; H79-G91 PolarHBondContact O-N 3.31Å; H79-G91 VanDerWaalsContact O-O 3.09Å; H79-K93 HydrophobicContact CB-CB 4.2Å; H79-V106 WeakPolarHBondContact CD2-CG1 3.04Å; H79-V106 WeakPolarHBondContact NE2-CG1 3.46Å
80R92.8Very high91.3Very high127 Ų12743.9 Ų43.948%0.47925%0.249SC..  trans-116108.2173.6-72-166.7175.9168.22.7109Y78 F82 D89Y78-R80 HydrophobicContact CE1-CG 3.74Å; Y78-R80 PolarHBondContact OH-NE 3.35Å; R80-F82 VanDerWaalsContact C-N 3.3Å; R80-F82 PolarHBondContact O-N 2.86Å; R80-D89 VanDerWaalsContact C-OD1 3.26Å; R80-D89 WeakPolarHBondContact CA-OD1 3.39Å; R80-D89 WeakPolarHBondContact CB-OD1 3.34Å
81P86.2Confident91.3Very high37 Ų3743.9 Ų43.924%0.2425%0.249CC..SBendtrans-64.7-30-17724-34000114D89P81-D89 WeakPolarHBondContact CD-OD1 3.48Å; P81-D89 VanDerWaalsContact N-OD1 3.13Å
82F85.4Confident91.4Very high91 Ų9143.9 Ų43.940%0.39925%0.249SC..SBendtrans-114.9-31.3-176.5-56.3-66.5000112.7R80 D84 V88 D89 Y109R80-F82 VanDerWaalsContact C-N 3.3Å; R80-F82 PolarHBondContact O-N 2.86Å; F82-D84 HydrophobicContact CB-CB 4.4Å; F82-D84 WeakPolarHBondContact CB-OD1 3.03Å; F82-D84 PolarHBondContact O-N 3.03Å; F82-V88 HydrophobicContact CD2-CG2 4.24Å; F82-V88 HydrophobicContact CE2-CG2 3.69Å; F82-D89 WeakPolarHBondContact CA-OD1 3.48Å; F82-D89 HydrophobicContact CD2-CB 4.43Å; F82-D89 PolarHBondContact N-OD1 3.47Å; F82-Y109 AromaticContact CE2-CE1 3.86Å; F82-Y109 HydrophobicContact CE2-CE1 3.86Å; F82-Y109 HydrophobicContact CZ-CE1 4.12Å
83G87.2Confident91.6Very high51 Ų5148.2 Ų48.253%0.52627%0.267SS..SBendtrans72.411.7-175.300000114.1D89G83-D89 VanDerWaalsContact C-OD2 3.29Å; G83-D89 WeakPolarHBondContact CA-OD2 3.23Å; G83-D89 VanDerWaalsContact N-CG 3.28Å; G83-D89 PolarHBondContact N-OD1 2.76Å; G83-D89 PolarHBondContact N-OD2 2.85Å
84D85.1Confident91.9Very high99 Ų9945.3 Ų45.353%0.52925%0.252SS..SBendtrans-99.61.4-176.167.9-1.2000113.6F82 S86 D89F82-D84 HydrophobicContact CB-CB 4.4Å; F82-D84 WeakPolarHBondContact CB-OD1 3.03Å; F82-D84 PolarHBondContact O-N 3.03Å; D84-S86 PolarHBondContact O-N 3.48Å; D84-S86 WeakPolarHBondContact OD1-CB 3.46Å; D84-S86 PolarHBondContact OD1-N 3.01Å; D84-S86 PolarHBondContact OD1-OG 2.87Å; D84-D89 PolarHBondContact N-OD2 2.83Å
85S82.5Confident92Very high87 Ų8748.4 Ų48.461%0.60827%0.271SS*.  trans58.422.5-175.5-48.50000114D89S85-D89 PolarHBondContact N-OD2 2.96Å
86S84.6Confident91.7Very high32 Ų3245.8 Ų45.822%0.22426%0.256CS..  trans-62.3159.8169.662.80000110.9D84 V88 D89D84-S86 PolarHBondContact O-N 3.48Å; D84-S86 WeakPolarHBondContact OD1-CB 3.46Å; D84-S86 PolarHBondContact OD1-N 3.01Å; D84-S86 PolarHBondContact OD1-OG 2.87Å; S86-V88 PolarHBondContact O-N 3.27Å; S86-D89 VanDerWaalsContact O-CB 3.27Å; S86-D89 WeakPolarHBondContact O-CB 3.22Å; S86-D89 PolarHBondContact O-N 3Å
87C86Confident91.2Very high56 Ų5647.4 Ų47.438%0.37826%0.264SS..THydrogen-bonded Turntrans-50.8-24.1176.954.20000115.3L129 C133C87-L129 WeakPolarHBondContact O-CD1 3.22Å; C87-C133 HydrophobicContact CB-CB 3.67Å; C87-C133 WeakPolarHBondContact CB-SG 3.47Å; C87-C133 WeakPolarHBondContact SG-CB 3.12Å; C87-C133 CovalentContact SG-SG 1.97Å; C87-C133 PolarHBondContact SG-SG 2.7Å
88V86.7Confident90.3Very high1 Ų147.3 Ų47.31%0.00627%0.268CS..THydrogen-bonded Turntrans-106.63.3-179.2-71.60000112.2F82 S86 H90 Y109 L131 L134F82-V88 HydrophobicContact CD2-CG2 4.24Å; F82-V88 HydrophobicContact CE2-CG2 3.69Å; S86-V88 PolarHBondContact O-N 3.27Å; V88-H90 PolarHBondContact O-N 2.79Å; V88-Y109 HydrophobicContact CB-CD1 3.78Å; V88-Y109 HydrophobicContact CB-CE1 4.15Å; V88-Y109 HydrophobicContact CG1-CD1 4.37Å; V88-Y109 WeakPolarHBondContact O-CD1 3.3Å; V88-L131 HydrophobicContact CG1-CD2 3.83Å; V88-L134 HydrophobicContact CG2-CD2 3.8Å
89D91Very high89.2Confident0 Ų045.9 Ų45.90%026%0.263CS..  trans-7941179.5-164.731.5000112.7Y78 R80 P81 F82 G83 D84 S85 S86Y78-D89 PolarHBondContact OH-O 3.38Å; R80-D89 VanDerWaalsContact C-OD1 3.26Å; R80-D89 WeakPolarHBondContact CA-OD1 3.39Å; R80-D89 WeakPolarHBondContact CB-OD1 3.34Å; P81-D89 WeakPolarHBondContact CD-OD1 3.48Å; P81-D89 VanDerWaalsContact N-OD1 3.13Å; F82-D89 WeakPolarHBondContact CA-OD1 3.48Å; F82-D89 HydrophobicContact CD2-CB 4.43Å; F82-D89 PolarHBondContact N-OD1 3.47Å; G83-D89 VanDerWaalsContact C-OD2 3.29Å; G83-D89 WeakPolarHBondContact CA-OD2 3.23Å; G83-D89 VanDerWaalsContact N-CG 3.28Å; G83-D89 PolarHBondContact N-OD1 2.76Å; G83-D89 PolarHBondContact N-OD2 2.85Å; D84-D89 PolarHBondContact N-OD2 2.83Å; S85-D89 PolarHBondContact N-OD2 2.96Å; S86-D89 VanDerWaalsContact O-CB 3.27Å; S86-D89 WeakPolarHBondContact O-CB 3.22Å; S86-D89 PolarHBondContact O-N 3Å
90H94.5Very high88.6Confident56 Ų5643.9 Ų43.926%0.25925%0.254SS..  trans-133.2130.8-179.3-58.5-92.3000110.6Y78 V88 Y109 I110 L129Y78-H90 HydrophobicContact CE2-CB 4.41Å; Y78-H90 AromaticContact CZ-ND1 3.81Å; Y78-H90 PolarHBondContact OH-CE1 3.49Å; Y78-H90 PolarHBondContact OH-ND1 2.78Å; V88-H90 PolarHBondContact O-N 2.79Å; H90-Y109 PolarHBondContact O-N 2.66Å; H90-I110 CarbonylContact C-O 3.38Å; H90-I110 WeakPolarHBondContact CB-O 3.39Å; H90-I110 PolarHBondContact O-N 3.3Å; H90-I110 VanDerWaalsContact O-N 3.1Å; H90-L129 HydrophobicContact CB-CD1 4.11Å
91G96.4Very high88.1Confident0 Ų041.2 Ų41.20%025%0.249CC..EExtended strand (participates in β ladder)trans-161.7178178.900000112.1Y78 H79 I107Y78-G91 VanDerWaalsContact CD2-O 3.23Å; Y78-G91 WeakPolarHBondContact CD2-O 3.43Å; H79-G91 PolarHBondContact N-O 2.98Å; H79-G91 CarbonylContact O-C 3.48Å; H79-G91 WeakPolarHBondContact O-CA 3.31Å; H79-G91 PolarHBondContact O-N 3.31Å; H79-G91 VanDerWaalsContact O-O 3.09Å; G91-I107 CarbonylContact C-O 3.49Å; G91-I107 WeakPolarHBondContact CA-O 3.41Å
92L97.8Very high88Confident0 Ų041.1 Ų41.10%025%0.254CS..EExtended strand (participates in β ladder)trans-127.2140.4173.7-70.5179.5000110.1V76 V106 I107 I110 P112 I125V76-L92 HydrophobicContact CG1-CB 4.23Å; V76-L92 HydrophobicContact CG1-CD1 3.92Å; V76-L92 HydrophobicContact CG1-CD2 3.52Å; V76-L92 HydrophobicContact CG1-CG 4.09Å; L92-V106 WeakPolarHBondContact O-CA 3.37Å; L92-I107 PolarHBondContact N-O 2.8Å; L92-I107 PolarHBondContact O-N 2.74Å; L92-I110 HydrophobicContact CB-CD1 4.12Å; L92-I110 HydrophobicContact CD1-CD1 3.99Å; L92-I110 HydrophobicContact CG-CD1 3.89Å; L92-P112 HydrophobicContact CD1-CB 4.05Å; L92-P112 HydrophobicContact CD2-CB 3.77Å; L92-P112 HydrophobicContact CD2-CG 3.87Å; L92-P112 HydrophobicContact CG-CB 3.94Å; L92-P112 HydrophobicContact CG-CG 3.98Å; L92-I125 HydrophobicContact CD1-CB 3.85Å; L92-I125 HydrophobicContact CD1-CD1 4.14Å; L92-I125 HydrophobicContact CD1-CG1 4.28Å
93K97.9Very high88.3Confident90 Ų9037.7 Ų37.739%0.39124%0.239SC..EExtended strand (participates in β ladder)trans-104.3125.5166.9180-178.7-177.3-175.70108.1V76 A77 H79 T104 A105 V106V76-K93 CarbonylContact C-O 3.59Å; V76-K93 WeakPolarHBondContact CA-O 3.34Å; A77-K93 PolarHBondContact N-O 2.62Å; A77-K93 PolarHBondContact O-N 2.84Å; H79-K93 HydrophobicContact CB-CB 4.2Å; K93-T104 HydrophobicContact CD-CG2 4.13Å; K93-T104 VanDerWaalsContact CE-CG2 3.4Å; K93-T104 HydrophobicContact CG-CG2 3.57Å; K93-A105 CarbonylContact C-O 3.43Å; K93-A105 WeakPolarHBondContact CA-O 3.41Å; K93-V106 HydrophobicContact CB-CG2 4.44Å; K93-V106 HydrophobicContact CG-CG2 4.18Å
94I97.9Very high88.7Confident0 Ų036.3 Ų36.30%022%0.22CC..EExtended strand (participates in β ladder)trans-118.1108.8-178.7-49.9-179.6000107.7A70 P71 F72 T75 V76 T104 A105 I107 V119 I125A70-I94 HydrophobicContact CB-CD1 4.42Å; P71-I94 HydrophobicContact CG-CD1 4.36Å; F72-I94 HydrophobicContact CD2-CG2 4.2Å; F72-I94 HydrophobicContact CE2-CB 4.32Å; F72-I94 HydrophobicContact CE2-CG2 3.88Å; T75-I94 WeakPolarHBondContact O-CA 3.47Å; V76-I94 HydrophobicContact CG2-CG1 4.14Å; I94-T104 CarbonylContact O-C 3.59Å; I94-T104 VanDerWaalsContact O-CA 3.27Å; I94-T104 WeakPolarHBondContact O-CA 3.47Å; I94-A105 HydrophobicContact CB-CB 4.45Å; I94-A105 PolarHBondContact N-O 2.89Å; I94-A105 PolarHBondContact O-N 2.82Å; I94-I107 HydrophobicContact CD1-CD1 4.22Å; I94-V119 HydrophobicContact CG2-CG2 3.94Å; I94-I125 HydrophobicContact CD1-CD1 3.91Å
95T96.6Very high89.3Confident65 Ų6531.6 Ų31.640%0.39920%0.195SC..EExtended strand (participates in β ladder)trans-85.7117.4174.5-55.70000108.3G74 T75G74-T95 CarbonylContact C-O 3.53Å; G74-T95 WeakPolarHBondContact CA-O 3.46Å; T75-T95 PolarHBondContact N-O 3.32Å; T75-T95 PolarHBondContact O-N 3.17Å
96G92.5Very high90Very high4 Ų427.7 Ų27.74%0.04117%0.168CC..EExtended strand (participates in β ladder)trans-65.7148.4-172.800000113.2F72 D73 W100 Y103F72-G96 VanDerWaalsContact CE2-CA 3.49Å; D73-G96 WeakPolarHBondContact O-CA 3.43Å; G96-W100 WeakPolarHBondContact CA-O 3.43Å; G96-Y103 PolarHBondContact N-O 3.39Å
97D86.3Confident90.7Very high40 Ų4026.2 Ų26.221%0.21416%0.157CC..  trans-122.6175.9169.662.924.4000111.6D73 G74 Q99 W100 K118D73-D97 WeakPolarHBondContact CB-OD1 3.42Å; D73-D97 PolarHBondContact O-N 2.87Å; G74-D97 PolarHBondContact N-OD1 2.7Å; D97-Q99 PolarHBondContact O-N 2.88Å; D97-Q99 VanDerWaalsContact O-N 3.14Å; D97-W100 WeakPolarHBondContact O-CB 3.34Å; D97-W100 PolarHBondContact O-N 2.83Å; D97-K118 IonicContact OD2-NZ 3.93Å; D97-K118 PolarHBondContact OD2-NZ 2.69Å
98G78.4Confident91.1Very high43 Ų4323.5 Ų23.544%0.44314%0.139SC..G310 helixtrans54.2-121.4-173.300000112W100 L101G98-W100 PolarHBondContact O-N 3.19Å; G98-L101 WeakPolarHBondContact O-CB 3.36Å; G98-L101 VanDerWaalsContact O-CD1 3.32Å; G98-L101 WeakPolarHBondContact O-CD1 3.08Å; G98-L101 WeakPolarHBondContact O-CG 3.42Å; G98-L101 PolarHBondContact O-N 2.89Å
99Q73.5Confident91.5Very high35 Ų3524.7 Ų24.716%0.16414%0.144CC..G310 helixtrans-73.3-10.7-180-63.4178.23500114.2D97 Q170D97-Q99 PolarHBondContact O-N 2.88Å; D97-Q99 VanDerWaalsContact O-N 3.14Å; Q99-Q170 HydrophobicContact CG-CB 4.29Å
100W81.9Confident91.7Very high8 Ų824.7 Ų24.73%0.0314%0.144CC..G310 helixtrans-97.67.5176.5-63.993.9000112.8G18 C19 I20 F72 G96 D97 G98 G102 Y103G18-W100 WeakPolarHBondContact O-CH2 3.25Å; C19-W100 WeakPolarHBondContact O-CZ2 3.45Å; I20-W100 HydrophobicContact CG1-CH2 3.64Å; I20-W100 HydrophobicContact CG1-CZ3 4.04Å; F72-W100 HydrophobicContact CB-CB 4.25Å; F72-W100 VanDerWaalsContact CB-CD1 3.42Å; F72-W100 HydrophobicContact CB-CD2 3.41Å; F72-W100 VanDerWaalsContact CB-CD2 3.41Å; F72-W100 HydrophobicContact CB-CE3 4.13Å; F72-W100 HydrophobicContact CB-CG 3.45Å; F72-W100 VanDerWaalsContact CB-CG 3.45Å; F72-W100 HydrophobicContact CB-CZ2 3.97Å; F72-W100 VanDerWaalsContact CB-NE1 3.33Å; F72-W100 AromaticContact CD1-CD2 3.59Å; F72-W100 HydrophobicContact CD1-CD2 3.59Å; F72-W100 AromaticContact CD1-CE3 3.37Å; F72-W100 HydrophobicContact CD1-CE3 3.37Å; F72-W100 HydrophobicContact CD1-CG 4.17Å; F72-W100 HydrophobicContact CD1-CH2 4.17Å; F72-W100 HydrophobicContact CD1-CZ2 4.35Å; F72-W100 AromaticContact CD1-CZ3 3.69Å; F72-W100 HydrophobicContact CD1-CZ3 3.69Å; F72-W100 HydrophobicContact CD2-CB 4.01Å; F72-W100 HydrophobicContact CD2-CD2 4.39Å; F72-W100 HydrophobicContact CD2-CG 4.1Å; F72-W100 HydrophobicContact CE1-CD2 4.4Å; F72-W100 AromaticContact CE1-CE3 3.84Å; F72-W100 HydrophobicContact CE1-CE3 3.84Å; F72-W100 HydrophobicContact CE1-CZ3 4.18Å; F72-W100 HydrophobicContact CE2-CB 4.46Å; F72-W100 HydrophobicContact CG-CB 4.07Å; F72-W100 AromaticContact CG-CD2 3.57Å; F72-W100 HydrophobicContact CG-CD2 3.57Å; F72-W100 AromaticContact CG-CE3 3.86Å; F72-W100 HydrophobicContact CG-CE3 3.86Å; F72-W100 AromaticContact CG-CG 3.68Å; F72-W100 HydrophobicContact CG-CG 3.68Å; F72-W100 HydrophobicContact CG-CZ3 4.5Å; G96-W100 WeakPolarHBondContact CA-O 3.43Å; D97-W100 WeakPolarHBondContact O-CB 3.34Å; D97-W100 PolarHBondContact O-N 2.83Å; G98-W100 PolarHBondContact O-N 3.19Å; W100-G102 PolarHBondContact O-N 3.33Å; W100-Y103 HydrophobicContact CE3-CD1 4.41Å; W100-Y103 HydrophobicContact CE3-CD2 4.01Å; W100-Y103 HydrophobicContact CE3-CE2 4.47Å; W100-Y103 AromaticContact CE3-CG 3.95Å; W100-Y103 HydrophobicContact CE3-CG 3.95Å; W100-Y103 WeakPolarHBondContact O-CA 3.39Å; W100-Y103 VanDerWaalsContact O-CB 3.29Å; W100-Y103 WeakPolarHBondContact O-CB 3.19Å; W100-Y103 PolarHBondContact O-N 3.15Å
101L82.2Confident91.8Very high70 Ų7029 Ų2937%0.36616%0.158SC..THydrogen-bonded Turntrans-55.6134173.9-77167.9000110.7G98 Y103 I176G98-L101 WeakPolarHBondContact O-CB 3.36Å; G98-L101 VanDerWaalsContact O-CD1 3.32Å; G98-L101 WeakPolarHBondContact O-CD1 3.08Å; G98-L101 WeakPolarHBondContact O-CG 3.42Å; G98-L101 PolarHBondContact O-N 2.89Å; L101-Y103 VanDerWaalsContact C-N 3.26Å; L101-Y103 PolarHBondContact O-N 2.97Å; L101-I176 HydrophobicContact CB-CG2 3.28Å; L101-I176 HydrophobicContact CD1-CD1 3.66Å; L101-I176 HydrophobicContact CD1-CG1 3.84Å; L101-I176 HydrophobicContact CD1-CG2 4Å; L101-I176 HydrophobicContact CG-CG2 4.28Å
102G84.7Confident91.8Very high35 Ų3529.5 Ų29.536%0.36116%0.161SC..THydrogen-bonded Turntrans87.8-18.1-172.500000113.8W100 R151 E152W100-G102 PolarHBondContact O-N 3.33Å; G102-R151 CarbonylContact O-C 3.54Å; G102-R151 WeakPolarHBondContact O-CA 3.05Å; G102-E152 PolarHBondContact O-N 3.37Å
103Y91Very high91.7Very high20 Ų2034.1 Ų34.18%0.07819%0.185CC..EExtended strand (participates in β ladder)trans-83.3149.7169.8-68.3-93.7000111.7G96 W100 L101 L149 Y150 R151 I156 H161 G317G96-Y103 PolarHBondContact N-O 3.39Å; W100-Y103 HydrophobicContact CE3-CD1 4.41Å; W100-Y103 HydrophobicContact CE3-CD2 4.01Å; W100-Y103 HydrophobicContact CE3-CE2 4.47Å; W100-Y103 AromaticContact CE3-CG 3.95Å; W100-Y103 HydrophobicContact CE3-CG 3.95Å; W100-Y103 WeakPolarHBondContact O-CA 3.39Å; W100-Y103 VanDerWaalsContact O-CB 3.29Å; W100-Y103 WeakPolarHBondContact O-CB 3.19Å; W100-Y103 PolarHBondContact O-N 3.15Å; L101-Y103 VanDerWaalsContact C-N 3.26Å; L101-Y103 PolarHBondContact O-N 2.97Å; Y103-L149 HydrophobicContact CD1-CD1 3.94Å; Y103-L149 HydrophobicContact CD1-CD2 4.12Å; Y103-L149 HydrophobicContact CD1-CG 4.06Å; Y103-L149 HydrophobicContact CE1-CD2 4.26Å; Y103-Y150 CarbonylContact C-O 3.5Å; Y103-Y150 VanDerWaalsContact CA-O 3.23Å; Y103-Y150 WeakPolarHBondContact CA-O 3.37Å; Y103-R151 HydrophobicContact CD1-CB 4.28Å; Y103-R151 HydrophobicContact CE1-CB 4.23Å; Y103-R151 HydrophobicContact CE1-CG 4.3Å; Y103-I156 HydrophobicContact CD1-CD1 4.45Å; Y103-I156 HydrophobicContact CE1-CD1 3.92Å; Y103-H161 AromaticContact CE1-CD2 3.98Å; Y103-H161 AromaticContact CE1-NE2 3.6Å; Y103-H161 AromaticContact CZ-NE2 3.96Å; Y103-H161 PolarHBondContact OH-NE2 2.86Å; Y103-G317 WeakPolarHBondContact OH-CA 3.15Å; Y103-G317 PolarHBondContact OH-O 2.95Å
104T95.8Very high91.6Very high22 Ų2232.8 Ų32.814%0.13518%0.179CC..EExtended strand (participates in β ladder)trans-142.4122.4168.7-60.30000109.1K93 I94 Y150K93-T104 HydrophobicContact CD-CG2 4.13Å; K93-T104 VanDerWaalsContact CE-CG2 3.4Å; K93-T104 HydrophobicContact CG-CG2 3.57Å; I94-T104 CarbonylContact O-C 3.59Å; I94-T104 VanDerWaalsContact O-CA 3.27Å; I94-T104 WeakPolarHBondContact O-CA 3.47Å; T104-Y150 PolarHBondContact N-O 3.45Å; T104-Y150 PolarHBondContact O-N 3.42Å
105A97.2Very high91.4Very high0 Ų039.5 Ų39.50%021%0.206CC..EExtended strand (participates in β ladder)trans-95136.5174.200000109P71 F72 K93 I94 F147 Q148 L149P71-A105 HydrophobicContact CG-CB 3.68Å; F72-A105 HydrophobicContact CE1-CB 3.75Å; F72-A105 HydrophobicContact CE2-CB 4.43Å; F72-A105 HydrophobicContact CZ-CB 3.55Å; K93-A105 CarbonylContact C-O 3.43Å; K93-A105 WeakPolarHBondContact CA-O 3.41Å; I94-A105 HydrophobicContact CB-CB 4.45Å; I94-A105 PolarHBondContact N-O 2.89Å; I94-A105 PolarHBondContact O-N 2.82Å; A105-F147 HydrophobicContact CB-CE2 3.81Å; A105-F147 HydrophobicContact CB-CZ 3.91Å; A105-Q148 CarbonylContact C-O 3.59Å; A105-Q148 WeakPolarHBondContact CA-O 3.01Å; A105-L149 HydrophobicContact CB-CD1 4.48Å
106V97.9Very high91.3Very high5 Ų538.3 Ų38.33%0.0321%0.206CC..EExtended strand (participates in β ladder)trans-118.8120.8169.9179.40000107.2H79 L92 K93 Q148 Y150H79-V106 WeakPolarHBondContact CD2-CG1 3.04Å; H79-V106 WeakPolarHBondContact NE2-CG1 3.46Å; L92-V106 WeakPolarHBondContact O-CA 3.37Å; K93-V106 HydrophobicContact CB-CG2 4.44Å; K93-V106 HydrophobicContact CG-CG2 4.18Å; V106-Q148 HydrophobicContact CB-CB 4.25Å; V106-Q148 PolarHBondContact N-O 3.39Å; V106-Q148 PolarHBondContact O-N 3.21Å; V106-Y150 HydrophobicContact CB-CE2 4.44Å; V106-Y150 HydrophobicContact CG2-CD2 4.18Å; V106-Y150 HydrophobicContact CG2-CE2 3.72Å
107I97.8Very high91.5Very high0 Ų040 Ų400%022%0.223CC..EExtended strand (participates in β ladder)trans-118.5112.2-177.7-50.5-178.6000107.4I23 V68 P71 G91 L92 I94 I110 I125 I145 L146 F147I23-I107 HydrophobicContact CG2-CD1 4.41Å; V68-I107 HydrophobicContact CG1-CG2 4.22Å; P71-I107 HydrophobicContact CG-CD1 4.28Å; G91-I107 CarbonylContact C-O 3.49Å; G91-I107 WeakPolarHBondContact CA-O 3.41Å; L92-I107 PolarHBondContact N-O 2.8Å; L92-I107 PolarHBondContact O-N 2.74Å; I94-I107 HydrophobicContact CD1-CD1 4.22Å; I107-I110 HydrophobicContact CB-CD1 4.35Å; I107-I110 HydrophobicContact CG2-CD1 4.14Å; I107-I110 HydrophobicContact CG2-CG2 4Å; I107-I125 HydrophobicContact CD1-CD1 3.74Å; I107-I145 HydrophobicContact CG2-CD1 3.97Å; I107-L146 WeakPolarHBondContact CA-O 3.33Å; I107-F147 HydrophobicContact CD1-CD2 4.33Å; I107-F147 HydrophobicContact CD1-CE2 4.27Å; I107-F147 HydrophobicContact CG1-CD2 3.86Å; I107-F147 HydrophobicContact CG1-CE2 4.06Å
108S95.8Very high92Very high0 Ų044.5 Ų44.50%024%0.241CC..EExtended strand (participates in β ladder)trans-108.9162.4-178.1-62.60000111.2I145 L146S108-I145 WeakPolarHBondContact O-CB 3.17Å; S108-L146 PolarHBondContact N-O 3.47Å; S108-L146 PolarHBondContact O-N 2.86Å
109Y94.5Very high92.8Very high26 Ų2643 Ų4310%0.10222%0.223CC..SBendtrans70.940.3-176.9-41.4-32.8000112.8F82 V88 H90 L129 L131 L146F82-Y109 AromaticContact CE2-CE1 3.86Å; F82-Y109 HydrophobicContact CE2-CE1 3.86Å; F82-Y109 HydrophobicContact CZ-CE1 4.12Å; V88-Y109 HydrophobicContact CB-CD1 3.78Å; V88-Y109 HydrophobicContact CB-CE1 4.15Å; V88-Y109 HydrophobicContact CG1-CD1 4.37Å; V88-Y109 WeakPolarHBondContact O-CD1 3.3Å; H90-Y109 PolarHBondContact O-N 2.66Å; Y109-L129 WeakPolarHBondContact O-CB 3.45Å; Y109-L129 PolarHBondContact O-N 2.93Å; Y109-L131 HydrophobicContact CD2-CD2 4Å; Y109-L131 HydrophobicContact CG-CD2 4.01Å; Y109-L146 HydrophobicContact CD2-CB 4.04Å; Y109-L146 HydrophobicContact CE2-CB 3.66Å
110I96.1Very high93.8Very high0 Ų050.8 Ų50.80%025%0.251CS..EExtended strand (participates in β ladder)trans-129.5146.7177.664.9165.6000110.9V68 H90 L92 I107 P112 I125 R127 I145V68-I110 HydrophobicContact CB-CG2 4.36Å; V68-I110 HydrophobicContact CG1-CG2 4.24Å; V68-I110 HydrophobicContact CG2-CG2 3.84Å; H90-I110 CarbonylContact C-O 3.38Å; H90-I110 WeakPolarHBondContact CB-O 3.39Å; H90-I110 PolarHBondContact O-N 3.3Å; H90-I110 VanDerWaalsContact O-N 3.1Å; L92-I110 HydrophobicContact CB-CD1 4.12Å; L92-I110 HydrophobicContact CD1-CD1 3.99Å; L92-I110 HydrophobicContact CG-CD1 3.89Å; I107-I110 HydrophobicContact CB-CD1 4.35Å; I107-I110 HydrophobicContact CG2-CD1 4.14Å; I107-I110 HydrophobicContact CG2-CG2 4Å; I110-P112 VanDerWaalsContact O-CD 3.29Å; I110-P112 WeakPolarHBondContact O-CD 3.48Å; I110-I125 HydrophobicContact CD1-CD1 4.35Å; I110-R127 CarbonylContact C-O 3.07Å; I110-R127 VanDerWaalsContact CA-O 3.25Å; I110-R127 WeakPolarHBondContact CA-O 3.25Å; I110-I145 HydrophobicContact CG2-CG2 3.82Å
111R95.4Very high94.3Very high147 Ų14752.8 Ų52.856%0.55526%0.26SS*.EExtended strand (participates in β ladder)trans-87.1106.1163.8-172.6-177-63.8138.30.8107.9D65 G126 R127 L129D65-R111 IonicContact OD1-NH1 3.36Å; R111-G126 CarbonylContact O-C 3.54Å; R111-G126 WeakPolarHBondContact O-CA 3.21Å; R111-R127 PolarHBondContact N-O 3.46Å; R111-R127 PolarHBondContact O-N 3.15Å; R111-L129 HydrophobicContact CB-CD2 3.86Å
112P96Very high94.8Very high10 Ų1051.2 Ų51.27%0.06526%0.26CS..EExtended strand (participates in β ladder)trans-66.3144.7-178.7-20.535.1000111.7Y78 L92 I110 F114 Y115Y78-P112 HydrophobicContact CD2-CG 4.16Å; Y78-P112 HydrophobicContact CE2-CG 4.2Å; L92-P112 HydrophobicContact CD1-CB 4.05Å; L92-P112 HydrophobicContact CD2-CB 3.77Å; L92-P112 HydrophobicContact CD2-CG 3.87Å; L92-P112 HydrophobicContact CG-CB 3.94Å; L92-P112 HydrophobicContact CG-CG 3.98Å; I110-P112 VanDerWaalsContact O-CD 3.29Å; I110-P112 WeakPolarHBondContact O-CD 3.48Å; P112-F114 VanDerWaalsContact C-N 3.33Å; P112-F114 WeakPolarHBondContact CB-O 3.23Å; P112-Y115 HydrophobicContact CG-CE1 4.47Å
113L96.4Very high95.4Very high97 Ų9751.3 Ų51.351%0.50826%0.258SS..SBendtrans-74.7-28.5168.3-69.1-179.2000112E124 I125L113-E124 HydrophobicContact CD1-CB 4.27Å; L113-E124 HydrophobicContact CD1-CG 3.71Å; L113-I125 PolarHBondContact N-O 2.72Å
114F95.9Very high95.7Very high61 Ų6153.5 Ų53.527%0.26827%0.269SS..  trans-151.2158.2-179.848.8-91.6000109.6V76 P112 V119 I125V76-F114 HydrophobicContact CB-CE2 4.12Å; V76-F114 HydrophobicContact CG1-CD2 4.39Å; V76-F114 HydrophobicContact CG1-CE2 4.11Å; V76-F114 HydrophobicContact CG2-CE2 3.91Å; P112-F114 VanDerWaalsContact C-N 3.33Å; P112-F114 WeakPolarHBondContact CB-O 3.23Å; F114-V119 HydrophobicContact CE2-CG1 3.56Å; F114-V119 HydrophobicContact CZ-CG1 3.4Å; F114-I125 HydrophobicContact CZ-CB 4.36Å; F114-I125 HydrophobicContact CZ-CG2 4.07Å
115Y92.7Very high95.8Very high142 Ų14252.4 Ų52.456%0.55726%0.262SS*.SBendtrans-103.4-4.5-172.3-62.5-81.9000113.9Y78 P112Y78-Y115 HydrophobicContact CD1-CD1 4.19Å; Y78-Y115 AromaticContact CD2-CD1 3.6Å; Y78-Y115 HydrophobicContact CD2-CD1 3.6Å; Y78-Y115 AromaticContact CD2-CE1 3.91Å; Y78-Y115 HydrophobicContact CD2-CE1 3.91Å; Y78-Y115 HydrophobicContact CE2-CD1 4.15Å; Y78-Y115 AromaticContact CE2-CE1 3.98Å; Y78-Y115 HydrophobicContact CE2-CE1 3.98Å; Y78-Y115 AromaticContact CG-CD1 3.64Å; Y78-Y115 HydrophobicContact CG-CD1 3.64Å; Y78-Y115 HydrophobicContact CG-CE1 4.27Å; Y78-Y115 PolarHBondContact N-O 3.05Å; Y78-Y115 VanDerWaalsContact N-O 3.1Å; P112-Y115 HydrophobicContact CG-CE1 4.47Å
116G95.3Very high95.8Very high40 Ų4052.4 Ų52.441%0.41226%0.262SS..EExtended strand (participates in β ladder)trans-172.4169.4176.600000112.5V76V76-G116 VanDerWaalsContact O-CA 3.31Å; V76-G116 WeakPolarHBondContact O-CA 3.39Å
117G96.1Very high95.8Very high39 Ų3955.9 Ų55.940%0.40228%0.275SS..EExtended strand (participates in β ladder)trans124.7-172.2-179.400000112.9T75 V76T75-G117 CarbonylContact C-O 3.46Å; T75-G117 WeakPolarHBondContact CA-O 3.4Å; V76-G117 PolarHBondContact N-O 2.85Å
118K96.7Very high95.7Very high135 Ų13556.1 Ų56.159%0.58728%0.276SS*.EExtended strand (participates in β ladder)trans-93.1141.7175.8-76-67.5-166175.80110.7G74 T75 D97G74-K118 WeakPolarHBondContact O-CA 3.38Å; G74-K118 WeakPolarHBondContact O-CD 3.05Å; T75-K118 WeakPolarHBondContact OG1-CD 3.45Å; T75-K118 VanDerWaalsContact OG1-CE 3.28Å; T75-K118 WeakPolarHBondContact OG1-CE 3.42Å; T75-K118 PolarHBondContact OG1-NZ 3.39Å; D97-K118 IonicContact OD2-NZ 3.93Å; D97-K118 PolarHBondContact OD2-NZ 2.69Å
119V96.1Very high95.6Very high10 Ų1057.1 Ų57.16%0.06128%0.282CS..EExtended strand (participates in β ladder)trans-127.7151.8173.4-68.20000110.5A70 D73 G74 V76 I94 F114 I125A70-V119 HydrophobicContact CB-CB 4.19Å; A70-V119 HydrophobicContact CB-CG2 4.01Å; D73-V119 WeakPolarHBondContact CA-O 3.4Å; G74-V119 PolarHBondContact N-O 2.86Å; G74-V119 PolarHBondContact O-N 3.49Å; V76-V119 HydrophobicContact CG2-CB 4.06Å; V76-V119 HydrophobicContact CG2-CG1 3.38Å; V76-V119 HydrophobicContact CG2-CG2 3.52Å; I94-V119 HydrophobicContact CG2-CG2 3.94Å; F114-V119 HydrophobicContact CE2-CG1 3.56Å; F114-V119 HydrophobicContact CZ-CG1 3.4Å; V119-I125 HydrophobicContact CG1-CG2 4.1Å
120R93.6Very high95.3Very high199 Ų19959.5 Ų59.575%0.75130%0.299SS*.  trans-102.7151.1168.7-65.9-176.9179.5176.9-0.3109.6A70 D73 G122 A123A70-R120 WeakPolarHBondContact CB-O 3.46Å; D73-R120 WeakPolarHBondContact OD1-CA 3.44Å; R120-G122 PolarHBondContact O-N 3.39Å; R120-A123 WeakPolarHBondContact O-CB 3.23Å; R120-A123 PolarHBondContact O-N 2.97Å
121K92.3Very high94.8Very high50 Ų5060.1 Ų60.122%0.21730%0.302CS..THydrogen-bonded Turntrans-47.3131.4170.2-172.8178-176.9-162.10110E15 C19 D73 A123E15-K121 WeakPolarHBondContact OE2-CE 3.33Å; E15-K121 IonicContact OE2-NZ 3.96Å; E15-K121 PolarHBondContact OE2-NZ 2.77Å; C19-K121 WeakPolarHBondContact O-CE 3.15Å; C19-K121 PolarHBondContact O-NZ 3.39Å; D73-K121 PolarHBondContact OD1-N 2.62Å; K121-A123 VanDerWaalsContact C-N 3.26Å; K121-A123 PolarHBondContact O-N 2.74Å
122G94.1Very high94.1Very high37 Ų3757.1 Ų57.138%0.38130%0.304SS..THydrogen-bonded Turntrans76.9-1.7-178.600000115.7Y69 A70 R120Y69-G122 VanDerWaalsContact CD1-O 3.31Å; Y69-G122 WeakPolarHBondContact CD1-O 3.44Å; A70-G122 PolarHBondContact O-N 3.5Å; R120-G122 PolarHBondContact O-N 3.39Å
123A96Very high93.3Very high37 Ų3759.5 Ų59.531%0.30632%0.32SS..  trans-69.5142.5173.900000111.1Y69 A70 R120 K121 I125Y69-A123 CarbonylContact C-O 3.55Å; Y69-A123 VanDerWaalsContact CA-O 3.24Å; Y69-A123 WeakPolarHBondContact CA-O 3.32Å; A70-A123 PolarHBondContact N-O 2.86Å; R120-A123 WeakPolarHBondContact O-CB 3.23Å; R120-A123 PolarHBondContact O-N 2.97Å; K121-A123 VanDerWaalsContact C-N 3.26Å; K121-A123 PolarHBondContact O-N 2.74Å; A123-I125 PolarHBondContact O-N 2.83Å
124E97.8Very high92.4Very high66 Ų6656.9 Ų56.931%0.30831%0.306SS..EExtended strand (participates in β ladder)trans-66126.4173.4-170.6-178.4155.300110.2K67 Y69 L113K67-E124 HydrophobicContact CB-CG 4.21Å; K67-E124 HydrophobicContact CD-CG 4.47Å; K67-E124 WeakPolarHBondContact CD-OE2 3.45Å; K67-E124 HydrophobicContact CG-CG 4.31Å; Y69-E124 HydrophobicContact CD1-CB 4.38Å; Y69-E124 HydrophobicContact CE1-CB 4.41Å; L113-E124 HydrophobicContact CD1-CB 4.27Å; L113-E124 HydrophobicContact CD1-CG 3.71Å
125I97.9Very high90.7Very high0 Ų059.8 Ų59.80%033%0.331CS..EExtended strand (participates in β ladder)trans-116.4-14.8-177.560.8171.5000113.3V68 A70 L92 I94 I107 I110 L113 F114 V119 A123V68-I125 HydrophobicContact CB-CG1 4.34Å; V68-I125 HydrophobicContact CG1-CD1 4.07Å; V68-I125 HydrophobicContact CG1-CG1 4.05Å; V68-I125 VanDerWaalsContact O-CG1 3.28Å; V68-I125 WeakPolarHBondContact O-CG1 3.21Å; V68-I125 PolarHBondContact O-N 3.21Å; A70-I125 HydrophobicContact CB-CG2 3.73Å; L92-I125 HydrophobicContact CD1-CB 3.85Å; L92-I125 HydrophobicContact CD1-CD1 4.14Å; L92-I125 HydrophobicContact CD1-CG1 4.28Å; I94-I125 HydrophobicContact CD1-CD1 3.91Å; I107-I125 HydrophobicContact CD1-CD1 3.74Å; I110-I125 HydrophobicContact CD1-CD1 4.35Å; L113-I125 PolarHBondContact N-O 2.72Å; F114-I125 HydrophobicContact CZ-CB 4.36Å; F114-I125 HydrophobicContact CZ-CG2 4.07Å; V119-I125 HydrophobicContact CG1-CG2 4.1Å; A123-I125 PolarHBondContact O-N 2.83Å
126G97.6Very high89.4Confident0 Ų059.4 Ų59.40%033%0.329CS..EExtended strand (participates in β ladder)trans174.7-174.2-173.200000113V68 R111V68-G126 PolarHBondContact N-O 2.98Å; V68-G126 PolarHBondContact O-N 3.14Å; R111-G126 CarbonylContact O-C 3.54Å; R111-G126 WeakPolarHBondContact O-CA 3.21Å
127R97.7Very high87.4Confident78 Ų7868.3 Ų68.329%0.29435%0.35SS..EExtended strand (participates in β ladder)trans-122.6143.4169.5-66.4-176.8174.8-94.7-4.8110.3D65 S66 I110 R111D65-R127 PolarHBondContact O-NH1 2.99Å; D65-R127 VanDerWaalsContact OD1-CD 3.26Å; D65-R127 WeakPolarHBondContact OD1-CD 3.08Å; D65-R127 IonicContact OD2-NH1 2.64Å; S66-R127 CarbonylContact O-C 3.19Å; S66-R127 VanDerWaalsContact O-CA 3.26Å; S66-R127 WeakPolarHBondContact O-CA 3.3Å; I110-R127 CarbonylContact C-O 3.07Å; I110-R127 VanDerWaalsContact CA-O 3.25Å; I110-R127 WeakPolarHBondContact CA-O 3.25Å; R111-R127 PolarHBondContact N-O 3.46Å; R111-R127 PolarHBondContact O-N 3.15Å
128S96.1Very high85.5Confident4 Ų473.8 Ų73.83%0.02837%0.37CS..EExtended strand (participates in β ladder)trans-63.2143.6174.255.50000111.2C62 Q63 D65 S66C62-S128 VanDerWaalsContact SG-CB 3.56Å; Q63-S128 PolarHBondContact O-OG 3.08Å; D65-S128 WeakPolarHBondContact CA-O 3.41Å; D65-S128 PolarHBondContact N-O 3.21Å; D65-S128 PolarHBondContact N-OG 2.77Å; D65-S128 VanDerWaalsContact N-OG 3.16Å; S66-S128 PolarHBondContact N-OG 2.92Å; S66-S128 VanDerWaalsContact N-OG 3.11Å; S66-S128 PolarHBondContact O-N 2.84Å; S66-S128 PolarHBondContact O-OG 3.2Å
129L93.9Very high83.7Confident21 Ų2169.2 Ų69.211%0.1136%0.355CS..PPolyproline II helixtrans-86.5157.9176.8-66.3170.3000110.9C87 H90 Y109 R111C87-L129 WeakPolarHBondContact O-CD1 3.22Å; H90-L129 HydrophobicContact CB-CD1 4.11Å; Y109-L129 WeakPolarHBondContact O-CB 3.45Å; Y109-L129 PolarHBondContact O-N 2.93Å; R111-L129 HydrophobicContact CB-CD2 3.86Å
130T88.4Confident82.2Confident76 Ų7673.9 Ų73.947%0.46639%0.386SS..PPolyproline II helixtrans-76.6137.1162.8177.40000109.7S132T130-S132 VanDerWaalsContact C-N 3.27Å; T130-S132 WeakPolarHBondContact CG2-OG 3.31Å; T130-S132 VanDerWaalsContact OG1-CB 3.31Å; T130-S132 WeakPolarHBondContact OG1-CB 2.72Å; T130-S132 PolarHBondContact OG1-N 2.02Å; T130-S132 PolarHBondContact OG1-OG 3.23Å
131L85.7Confident81.2Confident13 Ų1366.8 Ų66.87%0.06836%0.36CS..  trans-87.23.8175.9-57.6-178.8000112.6V88 Y109 C133 L134 H144V88-L131 HydrophobicContact CG1-CD2 3.83Å; Y109-L131 HydrophobicContact CD2-CD2 4Å; Y109-L131 HydrophobicContact CG-CD2 4.01Å; L131-C133 PolarHBondContact O-N 2.65Å; L131-L134 HydrophobicContact CB-CD1 4.14Å; L131-L134 HydrophobicContact CD2-CD1 4.43Å; L131-L134 WeakPolarHBondContact O-CB 3.43Å; L131-L134 PolarHBondContact O-N 3.09Å; L131-H144 WeakPolarHBondContact CD1-CE1 3.3Å
132S80.9Confident80.9Confident84 Ų8467.3 Ų67.359%0.58736%0.363SS*.THydrogen-bonded Turntrans-61.1-15.2-173.458.70000115.6T130T130-S132 VanDerWaalsContact C-N 3.27Å; T130-S132 WeakPolarHBondContact CG2-OG 3.31Å; T130-S132 VanDerWaalsContact OG1-CB 3.31Å; T130-S132 WeakPolarHBondContact OG1-CB 2.72Å; T130-S132 PolarHBondContact OG1-N 2.02Å; T130-S132 PolarHBondContact OG1-OG 3.23Å
133C78Confident80.7Confident60 Ų6067.4 Ų67.441%0.40536%0.358SS..THydrogen-bonded Turntrans-91.3-5.9178.753.40000113.3C87 L131C87-C133 HydrophobicContact CB-CB 3.67Å; C87-C133 WeakPolarHBondContact CB-SG 3.47Å; C87-C133 WeakPolarHBondContact SG-CB 3.12Å; C87-C133 CovalentContact SG-SG 1.97Å; C87-C133 PolarHBondContact SG-SG 2.7Å; L131-C133 PolarHBondContact O-N 2.65Å
134L77.2Confident80.6Confident43 Ų4366.3 Ų66.323%0.22535%0.346CS..SBendtrans-65.7143.4169.7-69.4176.8000109.7V88 L131 R136V88-L134 HydrophobicContact CG2-CD2 3.8Å; L131-L134 HydrophobicContact CB-CD1 4.14Å; L131-L134 HydrophobicContact CD2-CD1 4.43Å; L131-L134 WeakPolarHBondContact O-CB 3.43Å; L131-L134 PolarHBondContact O-N 3.09Å; L134-R136 PolarHBondContact O-N 3.48Å
135P61.1Low80.5Confident122 Ų12263.2 Ų63.279%0.79233%0.331SS*.SBendtrans-67.89.1-166.222.4-31.9000116.4
136R64Low80.4Confident133 Ų13363.8 Ų63.850%0.50233%0.334SS..  trans-118.199.2175.7-73.8-172.6178-179.52.7110.4L134 D138 F141L134-R136 PolarHBondContact O-N 3.48Å; R136-D138 VanDerWaalsContact C-N 3.32Å; R136-F141 HydrophobicContact CB-CZ 4.1Å; R136-F141 VanDerWaalsContact O-CE2 3.29Å; R136-F141 WeakPolarHBondContact O-CE2 3.13Å
137R53.4Low80.4Confident228 Ų22863.8 Ų63.886%0.8633%0.334SS*.  trans-80.9-13.6176.4-67.1-178.6-177.5179.81.5113.1S139R137-S139 PolarHBondContact O-N 2.67Å
138D57.4Low80.4Confident154 Ų15461.5 Ų61.582%0.82433%0.327SS*.SBendtrans-91.45.6-165.1-52.2-32.9000114R136R136-D138 VanDerWaalsContact C-N 3.32Å
139S58.7Low80.4Confident38 Ų3861.3 Ų61.327%0.26633%0.326SS..SBendtrans-140.6122.3172.4-64.70000109.8R137 F141R137-S139 PolarHBondContact O-N 2.67Å; S139-F141 PolarHBondContact O-N 2.89Å
140P65.3Low80.3Confident109 Ų10963.4 Ų63.471%0.70833%0.333SS*.  trans-64.2112.9173.626.4-31.3000108.3L38L38-P140 HydrophobicContact CD1-CG 4.31Å
141F72.2Confident80.3Confident50 Ų5060.9 Ų60.922%0.21932%0.315CS..PPolyproline II helixtrans-73.4134170.1-58.1-80000108.7D39 R136 S139 P143D39-F141 WeakPolarHBondContact OD2-CD1 3.49Å; D39-F141 WeakPolarHBondContact OD2-CE1 3.33Å; R136-F141 HydrophobicContact CB-CZ 4.1Å; R136-F141 VanDerWaalsContact O-CE2 3.29Å; R136-F141 WeakPolarHBondContact O-CE2 3.13Å; S139-F141 PolarHBondContact O-N 2.89Å; F141-P143 VanDerWaalsContact O-CD 3.23Å; F141-P143 WeakPolarHBondContact O-CD 3.44Å
142E85.7Confident80.3Confident60 Ų6066.3 Ų66.328%0.2834%0.34SS..PPolyproline II helixtrans-59.5120.3163.7-175.1166.9-119.400107.6R33 V61 H144R33-E142 WeakPolarHBondContact CA-OE2 3.22Å; R33-E142 HydrophobicContact CG-CB 4.15Å; R33-E142 WeakPolarHBondContact CG-OE2 3.25Å; V61-E142 HydrophobicContact CG1-CG 4.33Å; V61-E142 HydrophobicContact CG2-CG 4.3Å; E142-H144 PolarHBondContact O-N 2.98Å; E142-H144 PolarHBondContact O-ND1 2.84Å
143P90.8Very high80.8Confident40 Ų4065.3 Ų65.326%0.2634%0.343SS..PPolyproline II helixtrans-57.7128.6-178.1-27.937.2000111.3C62 F141C62-P143 PolarHBondContact N-O 3.25Å; C62-P143 CarbonylContact O-C 3.4Å; C62-P143 WeakPolarHBondContact O-CB 3.02Å; F141-P143 VanDerWaalsContact O-CD 3.23Å; F141-P143 WeakPolarHBondContact O-CD 3.44Å
144H93.7Very high81.4Confident14 Ų1470 Ų707%0.06536%0.356CS..EExtended strand (participates in β ladder)trans-152.8164-175.664.6-86.1000112.3D59 I60 L131 E142D59-H144 HydrophobicContact CB-CB 4.15Å; D59-H144 VanDerWaalsContact CG-CD2 3.47Å; D59-H144 IonicContact OD1-CD2 3.32Å; D59-H144 IonicContact OD1-NE2 3.88Å; D59-H144 IonicContact OD2-CD2 3.74Å; D59-H144 IonicContact OD2-NE2 2.86Å; I60-H144 CarbonylContact O-C 3.5Å; I60-H144 WeakPolarHBondContact O-CA 3.36Å; I60-H144 VanDerWaalsContact O-CB 3.27Å; I60-H144 WeakPolarHBondContact O-CB 3.25Å; L131-H144 WeakPolarHBondContact CD1-CE1 3.3Å; E142-H144 PolarHBondContact O-N 2.98Å; E142-H144 PolarHBondContact O-ND1 2.84Å
145I95.6Very high82.2Confident0 Ų070.4 Ų70.40%036%0.358CS..EExtended strand (participates in β ladder)trans-112152.3165.860.2177.1000109.3I23 D59 I60 C62 V68 I107 S108 I110I23-I145 HydrophobicContact CG2-CD1 3.51Å; D59-I145 CarbonylContact C-O 3.4Å; D59-I145 WeakPolarHBondContact CA-O 3.45Å; I60-I145 HydrophobicContact CB-CD1 4.47Å; I60-I145 HydrophobicContact CB-CG1 3.97Å; I60-I145 PolarHBondContact N-O 3.47Å; I60-I145 PolarHBondContact O-N 2.86Å; C62-I145 HydrophobicContact CB-CG1 4.35Å; C62-I145 HydrophobicContact CB-CG2 4.06Å; V68-I145 HydrophobicContact CG1-CD1 4.24Å; I107-I145 HydrophobicContact CG2-CD1 3.97Å; S108-I145 WeakPolarHBondContact O-CB 3.17Å; I110-I145 HydrophobicContact CG2-CG2 3.82Å
146L95.4Very high83.6Confident12 Ų1265.7 Ų65.76%0.06333%0.326CS..EExtended strand (participates in β ladder)trans-92121.6173171.265.6000109.5V55 I107 S108 Y109 Q148V55-L146 HydrophobicContact CG1-CD1 3.78Å; V55-L146 HydrophobicContact CG1-CD2 4.36Å; I107-L146 WeakPolarHBondContact CA-O 3.33Å; S108-L146 PolarHBondContact N-O 3.47Å; S108-L146 PolarHBondContact O-N 2.86Å; Y109-L146 HydrophobicContact CD2-CB 4.04Å; Y109-L146 HydrophobicContact CE2-CB 3.66Å; L146-Q148 HydrophobicContact CD1-CG 4.34Å; L146-Q148 HydrophobicContact CG-CG 4.25Å
147F97.6Very high85Confident0 Ų062.2 Ų62.20%032%0.318CS..EExtended strand (participates in β ladder)trans-111.6125.5176.3-174.5-94.9000111I20 I23 G57 V58 I60 P71 A105 I107 L149 P158 L162I20-F147 HydrophobicContact CD1-CE1 3.81Å; I20-F147 HydrophobicContact CD1-CZ 3.68Å; I23-F147 HydrophobicContact CD1-CD2 3.4Å; I23-F147 HydrophobicContact CD1-CE2 3.39Å; I23-F147 HydrophobicContact CD1-CG 4.09Å; I23-F147 HydrophobicContact CD1-CZ 4.05Å; G57-F147 CarbonylContact C-O 3.34Å; G57-F147 VanDerWaalsContact CA-O 3.27Å; G57-F147 WeakPolarHBondContact CA-O 2.96Å; V58-F147 HydrophobicContact CG2-CB 4.08Å; V58-F147 HydrophobicContact CG2-CD1 4.3Å; V58-F147 PolarHBondContact N-O 3.29Å; V58-F147 PolarHBondContact O-N 3.24Å; I60-F147 HydrophobicContact CD1-CB 3.62Å; I60-F147 HydrophobicContact CD1-CD2 4.37Å; I60-F147 HydrophobicContact CD1-CG 3.94Å; I60-F147 HydrophobicContact CG1-CB 4.12Å; P71-F147 HydrophobicContact CB-CE2 4.16Å; P71-F147 HydrophobicContact CB-CZ 4.36Å; P71-F147 HydrophobicContact CG-CE2 4.15Å; A105-F147 HydrophobicContact CB-CE2 3.81Å; A105-F147 HydrophobicContact CB-CZ 3.91Å; I107-F147 HydrophobicContact CD1-CD2 4.33Å; I107-F147 HydrophobicContact CD1-CE2 4.27Å; I107-F147 HydrophobicContact CG1-CD2 3.86Å; I107-F147 HydrophobicContact CG1-CE2 4.06Å; F147-L149 HydrophobicContact CE1-CB 3.96Å; F147-L149 HydrophobicContact CZ-CD1 4.38Å; F147-P158 HydrophobicContact CD1-CB 3.86Å; F147-P158 HydrophobicContact CD1-CG 3.98Å; F147-P158 HydrophobicContact CE1-CB 3.7Å; F147-P158 HydrophobicContact CE1-CG 4.33Å; F147-L162 HydrophobicContact CD1-CD1 4.01Å; F147-L162 HydrophobicContact CD1-CD2 4.37Å; F147-L162 HydrophobicContact CE1-CD1 4.4Å; F147-L162 HydrophobicContact CE1-CD2 4.25Å; F147-L162 HydrophobicContact CE1-CG 4.45Å
148Q97.2Very high86.9Confident30 Ų3051.4 Ų51.414%0.1428%0.277CS..EExtended strand (participates in β ladder)trans-123.8138.2173.2-51-177-92.400109.9K56 A105 V106 L146 Y150 L155K56-Q148 PolarHBondContact O-NE2 3.35Å; A105-Q148 CarbonylContact C-O 3.59Å; A105-Q148 WeakPolarHBondContact CA-O 3.01Å; V106-Q148 HydrophobicContact CB-CB 4.25Å; V106-Q148 PolarHBondContact N-O 3.39Å; V106-Q148 PolarHBondContact O-N 3.21Å; L146-Q148 HydrophobicContact CD1-CG 4.34Å; L146-Q148 HydrophobicContact CG-CG 4.25Å; Q148-Y150 HydrophobicContact CB-CE2 4.15Å; Q148-L155 HydrophobicContact CB-CD2 4Å
149L95.4Very high88.5Confident1 Ų145.5 Ų45.51%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-118.9127.2176.8-170.263.6000109.7I20 F72 Y103 A105 F147 I156 P158 H161I20-L149 HydrophobicContact CD1-CD2 4.14Å; F72-L149 HydrophobicContact CE1-CD1 3.93Å; F72-L149 HydrophobicContact CZ-CD1 4.47Å; Y103-L149 HydrophobicContact CD1-CD1 3.94Å; Y103-L149 HydrophobicContact CD1-CD2 4.12Å; Y103-L149 HydrophobicContact CD1-CG 4.06Å; Y103-L149 HydrophobicContact CE1-CD2 4.26Å; A105-L149 HydrophobicContact CB-CD1 4.48Å; F147-L149 HydrophobicContact CE1-CB 3.96Å; F147-L149 HydrophobicContact CZ-CD1 4.38Å; L149-I156 HydrophobicContact CB-CG1 4.14Å; L149-I156 HydrophobicContact CD2-CD1 3.74Å; L149-I156 HydrophobicContact CD2-CG1 4.08Å; L149-I156 HydrophobicContact CG-CD1 4.02Å; L149-I156 HydrophobicContact CG-CG1 4Å; L149-I156 WeakPolarHBondContact O-CG1 3.02Å; L149-I156 PolarHBondContact O-N 3.13Å; L149-P158 HydrophobicContact CB-CB 3.78Å; L149-P158 HydrophobicContact CD2-CB 4.12Å; L149-H161 HydrophobicContact CD2-CB 4Å
150Y93.5Very high90Very high65 Ų6546.8 Ų46.826%0.25525%0.246SC..EExtended strand (participates in β ladder)trans-106.8147.2171.8-63-108.6000108.7Y103 T104 V106 Q148 K154 L155Y103-Y150 CarbonylContact C-O 3.5Å; Y103-Y150 VanDerWaalsContact CA-O 3.23Å; Y103-Y150 WeakPolarHBondContact CA-O 3.37Å; T104-Y150 PolarHBondContact N-O 3.45Å; T104-Y150 PolarHBondContact O-N 3.42Å; V106-Y150 HydrophobicContact CB-CE2 4.44Å; V106-Y150 HydrophobicContact CG2-CD2 4.18Å; V106-Y150 HydrophobicContact CG2-CE2 3.72Å; Q148-Y150 HydrophobicContact CB-CE2 4.15Å; Y150-K154 CarbonylContact C-O 3.57Å; Y150-K154 VanDerWaalsContact CA-O 3.23Å; Y150-K154 WeakPolarHBondContact CA-O 3.31Å; Y150-L155 HydrophobicContact CD1-CD2 3.96Å; Y150-L155 HydrophobicContact CD1-CG 3.85Å; Y150-L155 HydrophobicContact CD2-CD2 3.79Å; Y150-L155 HydrophobicContact CE1-CD1 4.08Å; Y150-L155 HydrophobicContact CE1-CD2 3.64Å; Y150-L155 HydrophobicContact CE1-CG 3.46Å; Y150-L155 VanDerWaalsContact CE1-CG 3.46Å; Y150-L155 HydrophobicContact CE2-CD2 3.42Å; Y150-L155 VanDerWaalsContact CE2-CD2 3.42Å; Y150-L155 HydrophobicContact CE2-CG 4.22Å; Y150-L155 HydrophobicContact CG-CD2 4.02Å; Y150-L155 HydrophobicContact CG-CG 4.39Å
151R88Confident91.2Very high23 Ų2341.7 Ų41.79%0.08721%0.213CC..EExtended strand (participates in β ladder)trans-130.6123.1166.5-177.5178.6171.1-168.7-3.3109.2G102 Y103 G153 K154 I156 L316 G317 N318G102-R151 CarbonylContact O-C 3.54Å; G102-R151 WeakPolarHBondContact O-CA 3.05Å; Y103-R151 HydrophobicContact CD1-CB 4.28Å; Y103-R151 HydrophobicContact CE1-CB 4.23Å; Y103-R151 HydrophobicContact CE1-CG 4.3Å; R151-G153 PolarHBondContact O-N 3.16Å; R151-G153 VanDerWaalsContact O-N 3.14Å; R151-K154 PolarHBondContact N-O 2.57Å; R151-K154 PolarHBondContact O-N 3.15Å; R151-I156 HydrophobicContact CB-CD1 3.97Å; R151-I156 HydrophobicContact CB-CG1 4.46Å; R151-I156 HydrophobicContact CB-CG2 4.07Å; R151-L316 PolarHBondContact NH1-O 2.77Å; R151-L316 PolarHBondContact NH2-O 3.21Å; R151-G317 PolarHBondContact NH1-O 3.06Å; R151-N318 VanDerWaalsContact NH1-CA 3.34Å; R151-N318 VanDerWaalsContact NH1-CG 3.25Å; R151-N318 PolarHBondContact NH1-OD1 3.06Å
152E86.3Confident92.1Very high126 Ų12639.8 Ų39.859%0.58921%0.205SC*.THydrogen-bonded Turntrans49.440.1-176.5-59.6-176149.500112G102 K154G102-E152 PolarHBondContact O-N 3.37Å; E152-K154 VanDerWaalsContact C-N 3.3Å; E152-K154 PolarHBondContact O-N 3.47Å
153G90.6Very high92Very high63 Ų6340 Ų4065%0.64921%0.205SC*.THydrogen-bonded Turntrans80.7-3.5-179.200000115.7R151R151-G153 PolarHBondContact O-N 3.16Å; R151-G153 VanDerWaalsContact O-N 3.14Å
154K91.5Very high91.5Very high160 Ų16046 Ų4670%0.69623%0.229SC*.EExtended strand (participates in β ladder)trans-101.6134.4177-63.8-179.4-178.7176.30111.2Y150 R151 E152Y150-K154 CarbonylContact C-O 3.57Å; Y150-K154 VanDerWaalsContact CA-O 3.23Å; Y150-K154 WeakPolarHBondContact CA-O 3.31Å; R151-K154 PolarHBondContact N-O 2.57Å; R151-K154 PolarHBondContact O-N 3.15Å; E152-K154 VanDerWaalsContact C-N 3.3Å; E152-K154 PolarHBondContact O-N 3.47Å
155L93Very high91.1Very high50 Ų5046 Ų4626%0.26223%0.231SC..EExtended strand (participates in β ladder)trans-65.5132.8172.3-78.6162.4000110.6K56 Q148 Y150K56-L155 HydrophobicContact CB-CB 4.27Å; K56-L155 HydrophobicContact CB-CD1 3.73Å; K56-L155 HydrophobicContact CB-CG 4.43Å; K56-L155 HydrophobicContact CD-CB 4.29Å; K56-L155 HydrophobicContact CD-CD1 4.02Å; Q148-L155 HydrophobicContact CB-CD2 4Å; Y150-L155 HydrophobicContact CD1-CD2 3.96Å; Y150-L155 HydrophobicContact CD1-CG 3.85Å; Y150-L155 HydrophobicContact CD2-CD2 3.79Å; Y150-L155 HydrophobicContact CE1-CD1 4.08Å; Y150-L155 HydrophobicContact CE1-CD2 3.64Å; Y150-L155 HydrophobicContact CE1-CG 3.46Å; Y150-L155 VanDerWaalsContact CE1-CG 3.46Å; Y150-L155 HydrophobicContact CE2-CD2 3.42Å; Y150-L155 VanDerWaalsContact CE2-CD2 3.42Å; Y150-L155 HydrophobicContact CE2-CG 4.22Å; Y150-L155 HydrophobicContact CG-CD2 4.02Å; Y150-L155 HydrophobicContact CG-CG 4.39Å
156I91.3Very high90.7Very high24 Ų2446.8 Ų46.812%0.12324%0.235CC..EExtended strand (participates in β ladder)trans-121.7162.5175.461.2169000110Y45 Y103 L149 R151 P158Y45-I156 WeakPolarHBondContact CE2-O 3.25Å; Y103-I156 HydrophobicContact CD1-CD1 4.45Å; Y103-I156 HydrophobicContact CE1-CD1 3.92Å; L149-I156 HydrophobicContact CB-CG1 4.14Å; L149-I156 HydrophobicContact CD2-CD1 3.74Å; L149-I156 HydrophobicContact CD2-CG1 4.08Å; L149-I156 HydrophobicContact CG-CD1 4.02Å; L149-I156 HydrophobicContact CG-CG1 4Å; L149-I156 WeakPolarHBondContact O-CG1 3.02Å; L149-I156 PolarHBondContact O-N 3.13Å; R151-I156 HydrophobicContact CB-CD1 3.97Å; R151-I156 HydrophobicContact CB-CG1 4.46Å; R151-I156 HydrophobicContact CB-CG2 4.07Å; I156-P158 VanDerWaalsContact O-CD 3.28Å; I156-P158 WeakPolarHBondContact O-CD 3.48Å
157D92.5Very high90.4Very high60 Ų6046.4 Ų46.432%0.32123%0.233SC..  trans-74.1113.1171.5-172.4-17.9000109.2Y45 T159Y45-D157 WeakPolarHBondContact CB-OD1 3.38Å; Y45-D157 HydrophobicContact CD1-CB 3.57Å; Y45-D157 WeakPolarHBondContact CD1-OD2 3.28Å; Y45-D157 HydrophobicContact CD2-CB 4.22Å; Y45-D157 HydrophobicContact CE1-CB 3.74Å; Y45-D157 HydrophobicContact CE2-CB 4.36Å; Y45-D157 HydrophobicContact CG-CB 3.84Å; D157-T159 PolarHBondContact O-N 2.91Å; D157-T159 WeakPolarHBondContact OD1-CB 3.45Å; D157-T159 PolarHBondContact OD1-N 3.5Å; D157-T159 PolarHBondContact OD1-OG1 2.99Å
158P92.7Very high89.9Confident0 Ų046.4 Ų46.40%023%0.233CC..  trans-80.7-2.6-177.934.6-35.9000113.4V58 F147 L149 I156 Y160 H161 L162V58-P158 HydrophobicContact CB-CG 4.36Å; V58-P158 HydrophobicContact CG1-CG 3.77Å; V58-P158 HydrophobicContact CG2-CG 3.69Å; F147-P158 HydrophobicContact CD1-CB 3.86Å; F147-P158 HydrophobicContact CD1-CG 3.98Å; F147-P158 HydrophobicContact CE1-CB 3.7Å; F147-P158 HydrophobicContact CE1-CG 4.33Å; L149-P158 HydrophobicContact CB-CB 3.78Å; L149-P158 HydrophobicContact CD2-CB 4.12Å; I156-P158 VanDerWaalsContact O-CD 3.28Å; I156-P158 WeakPolarHBondContact O-CD 3.48Å; P158-Y160 VanDerWaalsContact C-N 3.3Å; P158-Y160 PolarHBondContact O-N 2.79Å; P158-H161 PolarHBondContact O-N 3.18Å; P158-L162 HydrophobicContact CB-CD1 4.02Å; P158-L162 HydrophobicContact CB-CG 4.38Å; P158-L162 HydrophobicContact CG-CD1 4.19Å; P158-L162 WeakPolarHBondContact O-CG 3.38Å; P158-L162 PolarHBondContact O-N 2.96Å
159T92.2Very high89.3Confident31 Ų3145.6 Ų45.619%0.1923%0.233CC..Hα-helixtrans-53.3-46.8-169.4-60.20000111.9L32 D157 L162 K163L32-T159 HydrophobicContact CD1-CG2 4.4Å; D157-T159 PolarHBondContact O-N 2.91Å; D157-T159 WeakPolarHBondContact OD1-CB 3.45Å; D157-T159 PolarHBondContact OD1-N 3.5Å; D157-T159 PolarHBondContact OD1-OG1 2.99Å; T159-L162 PolarHBondContact O-N 3.1Å; T159-K163 WeakPolarHBondContact O-CB 3.29Å; T159-K163 PolarHBondContact O-N 3.39Å
160Y89.2Confident88.9Confident65 Ų6546.2 Ų46.226%0.25524%0.236SC..Hα-helixtrans-81.5-17.4179.7-67.1-77.9000114.1P158 L162 K163 C165 D319 K321P158-Y160 VanDerWaalsContact C-N 3.3Å; P158-Y160 PolarHBondContact O-N 2.79Å; Y160-L162 VanDerWaalsContact C-N 3.34Å; Y160-K163 CarbonylContact C-O 3.55Å; Y160-K163 VanDerWaalsContact CA-O 3.24Å; Y160-K163 WeakPolarHBondContact CA-O 3.24Å; Y160-C165 WeakPolarHBondContact O-CA 3.06Å; Y160-C165 WeakPolarHBondContact O-CB 3.19Å; Y160-C165 PolarHBondContact O-N 3.24Å; Y160-D319 WeakPolarHBondContact CD2-OD1 3.48Å; Y160-K321 HydrophobicContact CD1-CB 3.73Å; Y160-K321 HydrophobicContact CD1-CG 3.9Å; Y160-K321 HydrophobicContact CD2-CB 3.78Å; Y160-K321 HydrophobicContact CD2-CG 4.36Å; Y160-K321 HydrophobicContact CE1-CB 3.9Å; Y160-K321 HydrophobicContact CE1-CD 3.88Å; Y160-K321 HydrophobicContact CE1-CG 3.56Å; Y160-K321 HydrophobicContact CE2-CB 3.97Å; Y160-K321 HydrophobicContact CE2-CD 3.83Å; Y160-K321 HydrophobicContact CE2-CG 4.08Å; Y160-K321 HydrophobicContact CG-CB 3.66Å; Y160-K321 HydrophobicContact CG-CG 4.28Å; Y160-K321 VanDerWaalsContact CZ-CD 3.45Å; Y160-K321 WeakPolarHBondContact OH-CD 2.87Å; Y160-K321 WeakPolarHBondContact OH-CE 3.14Å
161H90.5Very high88.8Confident1 Ų143.1 Ų43.11%0.00522%0.223CC..Hα-helixtrans-73.6-32.2169-64.273.1000111.2I20 Y103 L149 P158 G317 C320I20-H161 WeakPolarHBondContact CB-O 3.39Å; I20-H161 HydrophobicContact CD1-CB 3.59Å; I20-H161 HydrophobicContact CG1-CB 4.07Å; I20-H161 PolarHBondContact N-O 3.18Å; Y103-H161 AromaticContact CE1-CD2 3.98Å; Y103-H161 AromaticContact CE1-NE2 3.6Å; Y103-H161 AromaticContact CZ-NE2 3.96Å; Y103-H161 PolarHBondContact OH-NE2 2.86Å; L149-H161 HydrophobicContact CD2-CB 4Å; P158-H161 PolarHBondContact O-N 3.18Å; H161-G317 PolarHBondContact NE2-O 3.31Å; H161-C320 PolarHBondContact CD2-SG 2.85Å; H161-C320 PolarHBondContact NE2-SG 3.09Å
162L90.9Very high89.1Confident11 Ų1142 Ų426%0.05822%0.219CC..Hα-helixtrans-82.5-34.7177.6-68.8166.6000112.9I20 I23 N30 L32 V58 I60 F147 P158 T159 Y160I20-L162 HydrophobicContact CB-CD2 4.12Å; I20-L162 HydrophobicContact CD1-CD2 3.98Å; I20-L162 HydrophobicContact CD1-CG 4.2Å; I20-L162 HydrophobicContact CG2-CD2 3.67Å; I23-L162 HydrophobicContact CD1-CD2 3.58Å; I23-L162 HydrophobicContact CG1-CD2 4.28Å; N30-L162 HydrophobicContact CB-CB 4.13Å; N30-L162 HydrophobicContact CB-CD2 4.23Å; N30-L162 PolarHBondContact ND2-O 2.85Å; L32-L162 HydrophobicContact CD2-CD1 4.36Å; V58-L162 HydrophobicContact CG2-CD1 3.53Å; I60-L162 HydrophobicContact CD1-CD1 3.94Å; I60-L162 HydrophobicContact CD1-CD2 3.88Å; I60-L162 HydrophobicContact CG1-CD1 4.4Å; F147-L162 HydrophobicContact CD1-CD1 4.01Å; F147-L162 HydrophobicContact CD1-CD2 4.37Å; F147-L162 HydrophobicContact CE1-CD1 4.4Å; F147-L162 HydrophobicContact CE1-CD2 4.25Å; F147-L162 HydrophobicContact CE1-CG 4.45Å; P158-L162 HydrophobicContact CB-CD1 4.02Å; P158-L162 HydrophobicContact CB-CG 4.38Å; P158-L162 HydrophobicContact CG-CD1 4.19Å; P158-L162 WeakPolarHBondContact O-CG 3.38Å; P158-L162 PolarHBondContact O-N 2.96Å; T159-L162 PolarHBondContact O-N 3.1Å; Y160-L162 VanDerWaalsContact C-N 3.34Å
163K84.5Confident89.3Confident63 Ų6338 Ų3827%0.27420%0.201SC..SBendtrans-130.1132.9-173.1-60.5-174.8170.2-169.50110.7N30 T159 Y160 C165N30-K163 WeakPolarHBondContact O-CE 3.46Å; T159-K163 WeakPolarHBondContact O-CB 3.29Å; T159-K163 PolarHBondContact O-N 3.39Å; Y160-K163 CarbonylContact C-O 3.55Å; Y160-K163 VanDerWaalsContact CA-O 3.24Å; Y160-K163 WeakPolarHBondContact CA-O 3.24Å; K163-C165 PolarHBondContact O-N 2.95Å; K163-C165 VanDerWaalsContact O-N 3.15Å
164Q79.7Confident89.3Confident166 Ų16636.7 Ų36.778%0.77618%0.182SC*.SBendtrans53.736.8172.9-56.8176.6-21.700113.6M166Q164-M166 PolarHBondContact O-N 3.46Å
165C86.3Confident89.2Confident16 Ų1629.4 Ų29.411%0.10815%0.15CC..  trans-67.6130.2-175.5165.60000112.7C19 Y160 K163 C320C19-C165 WeakPolarHBondContact CA-SG 3.36Å; C19-C165 HydrophobicContact CB-CB 3.42Å; C19-C165 VanDerWaalsContact CB-CB 3.42Å; C19-C165 WeakPolarHBondContact CB-SG 3.21Å; C19-C165 WeakPolarHBondContact SG-CB 3.24Å; C19-C165 PolarHBondContact SG-O 3.3Å; C19-C165 VanDerWaalsContact SG-O 3.39Å; C19-C165 CovalentContact SG-SG 2.03Å; C19-C165 PolarHBondContact SG-SG 3.34Å; Y160-C165 WeakPolarHBondContact O-CA 3.06Å; Y160-C165 WeakPolarHBondContact O-CB 3.19Å; Y160-C165 PolarHBondContact O-N 3.24Å; K163-C165 PolarHBondContact O-N 2.95Å; K163-C165 VanDerWaalsContact O-N 3.15Å; C165-C320 HydrophobicContact CB-CB 4.28Å
166M87.3Confident88.6Confident15 Ų1530.9 Ų30.97%0.07416%0.158CC..  trans-128.539.6177.4-63.9-66.9-68.600112.1Q164 H256 W257 F260 M314 C320 L322Q164-M166 PolarHBondContact O-N 3.46Å; M166-H256 WeakPolarHBondContact CE-O 3.23Å; M166-H256 HydrophobicContact SD-CB 4.25Å; M166-W257 HydrophobicContact CB-CH2 4.35Å; M166-W257 HydrophobicContact CE-CD2 3.79Å; M166-W257 HydrophobicContact CE-CE3 3.67Å; M166-W257 HydrophobicContact CE-CG 4.43Å; M166-W257 HydrophobicContact CE-CH2 4.2Å; M166-W257 HydrophobicContact CE-CZ2 4.26Å; M166-W257 HydrophobicContact CE-CZ3 3.89Å; M166-W257 VanDerWaalsContact O-CH2 3.23Å; M166-W257 WeakPolarHBondContact O-CH2 3.45Å; M166-F260 HydrophobicContact CE-CD2 4.25Å; M166-F260 HydrophobicContact CE-CE2 3.56Å; M166-F260 HydrophobicContact CE-CZ 4.06Å; M166-M314 HydrophobicContact CB-CE 3.92Å; M166-M314 HydrophobicContact CB-CG 4.48Å; M166-M314 HydrophobicContact CB-SD 4.33Å; M166-M314 VanDerWaalsContact O-CB 3.3Å; M166-M314 WeakPolarHBondContact O-CB 3.32Å; M166-M314 WeakPolarHBondContact O-CE 3.44Å; M166-M314 WeakPolarHBondContact O-CG 2.98Å; M166-C320 WeakPolarHBondContact CB-O 3.37Å; M166-C320 PolarHBondContact N-O 2.88Å; M166-L322 HydrophobicContact CG-CB 4.21Å
167C88.5Confident87.9Confident4 Ų430.5 Ų30.53%0.02716%0.159CC..  trans-80.4145.8176.3-88.70000112.1Q280 M314 G317 C320C167-Q280 PolarHBondContact O-NE2 3.29Å; C167-M314 WeakPolarHBondContact CA-O 3.43Å; C167-G317 VanDerWaalsContact SG-CA 3.5Å; C167-C320 HydrophobicContact CB-CB 3.94Å; C167-C320 WeakPolarHBondContact CB-SG 3.39Å; C167-C320 WeakPolarHBondContact SG-CA 3.29Å; C167-C320 WeakPolarHBondContact SG-CB 3.28Å; C167-C320 CovalentContact SG-SG 2.01Å; C167-C320 PolarHBondContact SG-SG 3.09Å
168T86.7Confident87.7Confident1 Ų127.8 Ų27.81%0.00615%0.145CC..  trans-80.8-16.6-176.6620000114.8P221 W257 Q280 L302 M314 L315T168-P221 CarbonylContact C-O 3.21Å; T168-P221 WeakPolarHBondContact CA-O 3.43Å; T168-P221 VanDerWaalsContact CB-O 3.31Å; T168-P221 WeakPolarHBondContact CB-O 3.46Å; T168-P221 HydrophobicContact CG2-CB 4.21Å; T168-P221 CarbonylContact O-C 3.57Å; T168-P221 WeakPolarHBondContact O-CA 3.09Å; T168-W257 HydrophobicContact CG2-CH2 4.2Å; T168-Q280 VanDerWaalsContact C-NE2 3.31Å; T168-Q280 VanDerWaalsContact CA-NE2 3.28Å; T168-Q280 PolarHBondContact O-NE2 2.72Å; T168-L302 HydrophobicContact CG2-CD2 4.43Å; T168-M314 PolarHBondContact N-O 2.01Å; T168-L315 HydrophobicContact CG2-CD1 4.22Å; T168-L315 WeakPolarHBondContact OG1-CA 3.09Å
169G84.2Confident87.4Confident13 Ų1334.1 Ų34.113%0.13417%0.172CC..  trans69.2-175.5-166.500000113N178G169-N178 PolarHBondContact O-ND2 2.03Å
170Q87.1Confident87.3Confident13 Ų1334.6 Ų34.66%0.06117%0.173CC..  trans-66.1132.8175.7-180-177.213.100110.3Q99 C172 E173 Y219Q99-Q170 HydrophobicContact CG-CB 4.29Å; Q170-C172 WeakPolarHBondContact CG-O 3.47Å; Q170-C172 PolarHBondContact NE2-O 2.99Å; Q170-E173 VanDerWaalsContact NE2-C 3.32Å; Q170-E173 PolarHBondContact NE2-O 2.79Å; Q170-Y219 HydrophobicContact CB-CD2 4.43Å; Q170-Y219 HydrophobicContact CG-CD2 4.1Å; Q170-Y219 HydrophobicContact CG-CE2 4.19Å; Q170-Y219 VanDerWaalsContact O-CB 3.3Å; Q170-Y219 WeakPolarHBondContact O-CB 3.04Å; Q170-Y219 WeakPolarHBondContact O-CD2 3.26Å
171I92.3Very high87.1Confident0 Ų033.5 Ų33.50%018%0.175CC..  trans-100.5-38.5179.6-58.2179.9000112.1N178 I197 I218 Y219 P221 I298 V300 L315I171-N178 PolarHBondContact N-OD1 3.31Å; I171-I197 HydrophobicContact CD1-CD1 3.98Å; I171-I218 HydrophobicContact CG2-CG2 4.45Å; I171-I218 CarbonylContact O-C 3.38Å; I171-I218 WeakPolarHBondContact O-CA 2.89Å; I171-Y219 PolarHBondContact O-N 2.84Å; I171-P221 HydrophobicContact CD1-CB 3.9Å; I171-P221 HydrophobicContact CG1-CB 4.06Å; I171-I298 HydrophobicContact CG2-CD1 3.76Å; I171-V300 HydrophobicContact CD1-CG1 4.03Å; I171-V300 HydrophobicContact CD1-CG2 4.04Å; I171-V300 HydrophobicContact CG2-CG2 4.12Å; I171-L315 HydrophobicContact CD1-CD1 3.44Å; I171-L315 VanDerWaalsContact CD1-CD1 3.44Å; I171-L315 HydrophobicContact CD1-CG 4.39Å
172C93.7Very high86.6Confident0 Ų035.5 Ų35.50%020%0.196CC..BIsolated β-bridgetrans-116.6131.3178.8173.40000111Q170 S174 N175 C199 I218 I298Q170-C172 WeakPolarHBondContact CG-O 3.47Å; Q170-C172 PolarHBondContact NE2-O 2.99Å; C172-S174 VanDerWaalsContact C-N 3.27Å; C172-S174 PolarHBondContact O-N 3.49Å; C172-S174 PolarHBondContact SG-OG 2.84Å; C172-N175 HydrophobicContact CB-CB 4.3Å; C172-N175 CarbonylContact O-C 3.59Å; C172-N175 PolarHBondContact O-N 2.77Å; C172-C199 HydrophobicContact CB-CB 3.78Å; C172-C199 WeakPolarHBondContact CB-SG 3.46Å; C172-C199 WeakPolarHBondContact SG-CA 3.49Å; C172-C199 WeakPolarHBondContact SG-CB 3.31Å; C172-C199 CovalentContact SG-SG 2.02Å; C172-C199 PolarHBondContact SG-SG 3.22Å; C172-I218 HydrophobicContact CB-CD1 4.38Å; C172-I298 HydrophobicContact CB-CD1 4.14Å
173E90.9Very high86.3Confident42 Ų4237.8 Ų37.820%0.19622%0.216CC..THydrogen-bonded Turntrans-52.6-39.8-179-177.9178.6-162.800114.4Q170 N175 R214 P216 N217 Y219Q170-E173 VanDerWaalsContact NE2-C 3.32Å; Q170-E173 PolarHBondContact NE2-O 2.79Å; E173-N175 VanDerWaalsContact C-N 3.31Å; E173-R214 VanDerWaalsContact CD-NH2 3.34Å; E173-R214 IonicContact OE1-CZ 2.72Å; E173-R214 IonicContact OE1-NH1 2.62Å; E173-R214 IonicContact OE1-NH2 3.62Å; E173-R214 PolarHBondContact OE1-NH2 3.33Å; E173-R214 IonicContact OE2-CZ 3.59Å; E173-R214 IonicContact OE2-NH1 2.76Å; E173-R214 PolarHBondContact OE2-NH1 3.26Å; E173-R214 IonicContact OE2-NH2 3.58Å; E173-R214 PolarHBondContact OE2-NH2 3.38Å; E173-P216 HydrophobicContact CB-CB 4.03Å; E173-N217 HydrophobicContact CB-CB 4.21Å; E173-N217 WeakPolarHBondContact CB-O 3.2Å; E173-N217 PolarHBondContact N-O 2.93Å; E173-N217 PolarHBondContact OE2-N 3.22Å; E173-N217 PolarHBondContact OE2-ND2 2.99Å; E173-N217 VanDerWaalsContact OE2-ND2 3.17Å; E173-Y219 HydrophobicContact CB-CE2 4.1Å
174S90.8Very high86.2Confident36 Ų3638.6 Ų38.625%0.25223%0.226SC..THydrogen-bonded Turntrans-84.7-1.9179.2530000114.1C172 C199 P200C172-S174 VanDerWaalsContact C-N 3.27Å; C172-S174 PolarHBondContact O-N 3.49Å; C172-S174 PolarHBondContact SG-OG 2.84Å; S174-C199 VanDerWaalsContact OG-C 3.27Å; S174-P200 WeakPolarHBondContact CB-O 3.2Å; S174-P200 VanDerWaalsContact OG-CD 3.25Å; S174-P200 WeakPolarHBondContact OG-CD 3.34Å; S174-P200 PolarHBondContact OG-O 3.06Å
175N88.9Confident86.6Confident7 Ų732 Ų324%0.03720%0.195CC..BIsolated β-bridgetrans-132.282179.1-171.8-0.8000112C172 E173 G177 N178 K179 I197 H198C172-N175 HydrophobicContact CB-CB 4.3Å; C172-N175 CarbonylContact O-C 3.59Å; C172-N175 PolarHBondContact O-N 2.77Å; E173-N175 VanDerWaalsContact C-N 3.31Å; N175-G177 VanDerWaalsContact C-N 3.32Å; N175-G177 PolarHBondContact O-N 2.86Å; N175-N178 PolarHBondContact O-N 2.86Å; N175-N178 PolarHBondContact OD1-N 3.4Å; N175-K179 VanDerWaalsContact CG-N 3.31Å; N175-K179 PolarHBondContact ND2-N 2.91Å; N175-K179 PolarHBondContact ND2-O 3.28Å; N175-K179 WeakPolarHBondContact OD1-CB 3.15Å; N175-K179 PolarHBondContact OD1-N 3.14Å; N175-I197 HydrophobicContact CB-CG2 4.42Å; N175-I197 WeakPolarHBondContact ND2-CG2 3.35Å; N175-H198 WeakPolarHBondContact CB-O 3.16Å; N175-H198 VanDerWaalsContact CG-O 3.29Å; N175-H198 PolarHBondContact ND2-N 3.28Å; N175-H198 PolarHBondContact ND2-O 2.88Å
176I79.7Confident86.7Confident81 Ų8133.4 Ų33.442%0.41520%0.2SC..THydrogen-bonded Turntrans-55.1-41.9-176.3-68.1157.9000113.4L101L101-I176 HydrophobicContact CB-CG2 3.28Å; L101-I176 HydrophobicContact CD1-CD1 3.66Å; L101-I176 HydrophobicContact CD1-CG1 3.84Å; L101-I176 HydrophobicContact CD1-CG2 4Å; L101-I176 HydrophobicContact CG-CG2 4.28Å
177G78Confident86.6Confident15 Ų1538.7 Ų38.716%0.15523%0.228CC..THydrogen-bonded Turntrans-94.59.9-174.500000114.5N175 K179N175-G177 VanDerWaalsContact C-N 3.32Å; N175-G177 PolarHBondContact O-N 2.86Å; G177-K179 PolarHBondContact O-N 2.76Å
178N87.8Confident86.3Confident4 Ų441 Ų412%0.02124%0.237CC..  trans49.440.4-168.8-62.4-35.3000112.1G169 I171 N175 M180 I197 L315G169-N178 PolarHBondContact O-ND2 2.03Å; I171-N178 PolarHBondContact N-OD1 3.31Å; N175-N178 PolarHBondContact O-N 2.86Å; N175-N178 PolarHBondContact OD1-N 3.4Å; N178-M180 PolarHBondContact O-N 3.35Å; N178-I197 HydrophobicContact CB-CD1 4.28Å; N178-L315 HydrophobicContact CB-CG 4.46Å; N178-L315 PolarHBondContact ND2-O 2.7Å
179K86.7Confident85.6Confident132 Ų13250.9 Ų50.957%0.57428%0.275SS*.  trans-55126.7-179.7-65.6-176-179.8-178.40110.5N175 G177 H198N175-K179 VanDerWaalsContact CG-N 3.31Å; N175-K179 PolarHBondContact ND2-N 2.91Å; N175-K179 PolarHBondContact ND2-O 3.28Å; N175-K179 WeakPolarHBondContact OD1-CB 3.15Å; N175-K179 PolarHBondContact OD1-N 3.14Å; G177-K179 PolarHBondContact O-N 2.76Å; K179-H198 PolarHBondContact O-N 2.97Å; K179-H198 VanDerWaalsContact O-N 3.15Å
180M89.2Confident85Confident42 Ų4255.2 Ų55.221%0.20729%0.291CS..BIsolated β-bridgetrans-70.4141.6179.9-55.6-64.7173.600110.1N178 V184 W195 E196 T312 L315 L316N178-M180 PolarHBondContact O-N 3.35Å; M180-V184 HydrophobicContact CE-CG1 4.48Å; M180-V184 HydrophobicContact CG-CG2 4.21Å; M180-W195 HydrophobicContact CE-CB 4.26Å; M180-W195 HydrophobicContact CE-CG 3.97Å; M180-W195 HydrophobicContact SD-CB 3.85Å; M180-W195 HydrophobicContact SD-CG 4.1Å; M180-E196 WeakPolarHBondContact CA-O 3.44Å; M180-T312 HydrophobicContact CE-CG2 4.5Å; M180-L315 HydrophobicContact CE-CD2 3.51Å; M180-L315 HydrophobicContact SD-CD2 4.44Å; M180-L316 HydrophobicContact CE-CD1 4.43Å; M180-L316 HydrophobicContact CE-CD2 3.64Å; M180-L316 HydrophobicContact CE-CG 3.97Å
181S85.1Confident84.3Confident41 Ų4156.9 Ų56.929%0.28730%0.298SS..SBendtrans-90.2-8.1175.4-170.90000113.6E196 K297S181-E196 PolarHBondContact N-O 2.65Å; S181-K297 VanDerWaalsContact OG-CD 3.31Å; S181-K297 WeakPolarHBondContact OG-CD 3.43Å; S181-K297 WeakPolarHBondContact OG-CE 3.26Å; S181-K297 PolarHBondContact OG-NZ 2.87Å
182G81.2Confident83.8Confident44 Ų4457.5 Ų57.545%0.45431%0.305SS..SBendtrans-163.4-144-173.800000111.8V184G182-V184 PolarHBondContact O-N 3.32Å
183A82.8Confident83.7Confident59 Ų5961.5 Ų61.549%0.48832%0.323SS..SBendtrans-58.3137.2176.300000110.9Y185 E186A183-Y185 PolarHBondContact O-N 3.31Å; A183-E186 HydrophobicContact CB-CB 4.31Å
184V84.5Confident83.8Confident80 Ų8059.5 Ų59.549%0.48531%0.313SS..SBendtrans-75121.9176.3-174.30000108.4M180 G182 T312M180-V184 HydrophobicContact CE-CG1 4.48Å; M180-V184 HydrophobicContact CG-CG2 4.21Å; G182-V184 PolarHBondContact O-N 3.32Å; V184-T312 HydrophobicContact CG1-CG2 3.53Å; V184-T312 WeakPolarHBondContact CG1-OG1 3.42Å
185Y87.3Confident83.9Confident28 Ų2857.8 Ų57.811%0.1130%0.301CS..SBendtrans58.180.3177.9-169-121.2000114.2A183 K193 G194 W195 F308 M309 N310A183-Y185 PolarHBondContact O-N 3.31Å; Y185-K193 HydrophobicContact CD1-CD 4.46Å; Y185-K193 HydrophobicContact CD2-CG 4.35Å; Y185-K193 HydrophobicContact CE1-CD 3.69Å; Y185-K193 HydrophobicContact CE1-CG 4.03Å; Y185-K193 HydrophobicContact CE2-CB 4.37Å; Y185-K193 HydrophobicContact CE2-CD 4.25Å; Y185-K193 HydrophobicContact CE2-CG 3.77Å; Y185-K193 WeakPolarHBondContact OH-CD 3.39Å; Y185-G194 CarbonylContact C-O 3.56Å; Y185-G194 VanDerWaalsContact CA-O 3.22Å; Y185-G194 WeakPolarHBondContact CA-O 3.32Å; Y185-W195 HydrophobicContact CD2-CD2 4.25Å; Y185-W195 AromaticContact CD2-CE2 3.66Å; Y185-W195 AromaticContact CD2-CH2 3.84Å; Y185-W195 HydrophobicContact CD2-CH2 3.84Å; Y185-W195 AromaticContact CD2-CZ2 3.43Å; Y185-W195 HydrophobicContact CD2-CZ2 3.43Å; Y185-W195 VanDerWaalsContact CD2-CZ2 3.43Å; Y185-W195 HydrophobicContact CD2-CZ3 4.42Å; Y185-W195 AromaticContact CE2-CH2 3.93Å; Y185-W195 HydrophobicContact CE2-CH2 3.93Å; Y185-W195 AromaticContact CE2-CZ2 3.96Å; Y185-W195 HydrophobicContact CE2-CZ2 3.96Å; Y185-W195 HydrophobicContact CG-CZ2 4.13Å; Y185-F308 VanDerWaalsContact OH-C 3.29Å; Y185-M309 WeakPolarHBondContact CE2-O 3.41Å; Y185-M309 WeakPolarHBondContact OH-CA 3.3Å; Y185-M309 PolarHBondContact OH-N 2.88Å; Y185-M309 VanDerWaalsContact OH-N 3.15Å; Y185-M309 PolarHBondContact OH-O 3.33Å; Y185-N310 HydrophobicContact CD1-CB 3.58Å; Y185-N310 HydrophobicContact CE1-CB 3.58Å; Y185-N310 HydrophobicContact CG-CB 4.11Å
186E87.4Confident84.1Confident45 Ų4558.7 Ų58.721%0.2131%0.305CS..EExtended strand (participates in β ladder)trans-115157.1-174.765.7-175.4167.500112.6A183 K188 K193 G194 F299A183-E186 HydrophobicContact CB-CB 4.31Å; E186-K188 VanDerWaalsContact CD-CE 3.45Å; E186-K188 HydrophobicContact CG-CG 3.97Å; E186-K188 WeakPolarHBondContact OE1-CE 3.31Å; E186-K188 IonicContact OE1-NZ 2.73Å; E186-K193 VanDerWaalsContact O-CA 3.31Å; E186-K193 WeakPolarHBondContact O-CA 3.21Å; E186-G194 PolarHBondContact N-O 3.03Å; E186-G194 PolarHBondContact O-N 2.99Å; E186-F299 HydrophobicContact CG-CE2 4.36Å
187N86.7Confident84.8Confident126 Ų12654.8 Ų54.867%0.67429%0.285SS*.EExtended strand (participates in β ladder)trans-88.4114.2168.2-173.35.6000108.7G192N187-G192 CarbonylContact C-O 3.46Å; N187-G192 WeakPolarHBondContact CA-O 3.47Å; N187-G192 PolarHBondContact OD1-O 2.82Å
188K81.4Confident85.5Confident51 Ų5157.3 Ų57.322%0.22229%0.293CS..EExtended strand (participates in β ladder)trans-103.1127.6174.2-75.5-125.2178.6-174.90110.8E186 H190 F191 G192 E196 F299E186-K188 VanDerWaalsContact CD-CE 3.45Å; E186-K188 HydrophobicContact CG-CG 3.97Å; E186-K188 WeakPolarHBondContact OE1-CE 3.31Å; E186-K188 IonicContact OE1-NZ 2.73Å; K188-H190 PolarHBondContact O-N 2.69Å; K188-F191 HydrophobicContact CB-CB 4.13Å; K188-F191 HydrophobicContact CB-CD2 3.78Å; K188-F191 HydrophobicContact CB-CG 4.44Å; K188-F191 HydrophobicContact CD-CD2 4.24Å; K188-F191 PolarHBondContact O-N 3.03Å; K188-G192 PolarHBondContact N-O 2.76Å; K188-G192 PolarHBondContact O-N 3.41Å; K188-E196 IonicContact NZ-OE1 3.66Å; K188-E196 PolarHBondContact NZ-OE1 3.14Å; K188-E196 IonicContact NZ-OE2 2.82Å; K188-E196 PolarHBondContact NZ-OE2 2.79Å; K188-F299 HydrophobicContact CB-CE2 4.11Å; K188-F299 HydrophobicContact CB-CZ 4.19Å; K188-F299 HydrophobicContact CD-CD2 4.49Å; K188-F299 HydrophobicContact CD-CE2 4.5Å; K188-F299 HydrophobicContact CG-CD2 4.17Å; K188-F299 HydrophobicContact CG-CE2 3.72Å; K188-F299 HydrophobicContact CG-CZ 4.28Å
189R72.9Confident85.8Confident209 Ų20957.1 Ų57.179%0.78929%0.292SS*.THydrogen-bonded Turntrans-50.8128.3172.9-162.8-173.2172.6167.2-0.5109.5F191R189-F191 VanDerWaalsContact C-N 3.25Å; R189-F191 PolarHBondContact O-N 2.73Å
190H70.4Confident86.1Confident104 Ų10452.4 Ų52.448%0.48128%0.275SS..THydrogen-bonded Turntrans71.1-7.5-178.2-47.9-73.8000118.1K188 P232 K233K188-H190 PolarHBondContact O-N 2.69Å; H190-P232 WeakPolarHBondContact O-CB 3.28Å; H190-K233 HydrophobicContact CB-CD 4.35Å; H190-K233 HydrophobicContact CB-CG 3.76Å
191F73.1Confident86.3Confident48 Ų4853.8 Ų53.821%0.21128%0.283CS..THydrogen-bonded Turntrans-104.2-49.5173.4-58.3-51.2000110.4K188 R189 P232 Y265 F299K188-F191 HydrophobicContact CB-CB 4.13Å; K188-F191 HydrophobicContact CB-CD2 3.78Å; K188-F191 HydrophobicContact CB-CG 4.44Å; K188-F191 HydrophobicContact CD-CD2 4.24Å; K188-F191 PolarHBondContact O-N 3.03Å; R189-F191 VanDerWaalsContact C-N 3.25Å; R189-F191 PolarHBondContact O-N 2.73Å; F191-P232 HydrophobicContact CD1-CB 4.35Å; F191-P232 HydrophobicContact CD1-CG 4.44Å; F191-Y265 HydrophobicContact CB-CD1 4.13Å; F191-Y265 HydrophobicContact CB-CE1 3.96Å; F191-Y265 HydrophobicContact CB-CG 4.48Å; F191-Y265 AromaticContact CD1-CD1 3.22Å; F191-Y265 HydrophobicContact CD1-CD1 3.22Å; F191-Y265 AromaticContact CD1-CE1 3.71Å; F191-Y265 HydrophobicContact CD1-CE1 3.71Å; F191-Y265 AromaticContact CD1-CG 3.84Å; F191-Y265 HydrophobicContact CD1-CG 3.84Å; F191-Y265 AromaticContact CE1-CD1 3.89Å; F191-Y265 HydrophobicContact CE1-CD1 3.89Å; F191-Y265 HydrophobicContact CE1-CG 4.39Å; F191-Y265 HydrophobicContact CG-CD1 4Å; F191-Y265 HydrophobicContact CG-CE1 4.29Å; F191-Y265 HydrophobicContact CG-CG 4.36Å; F191-Y265 PolarHBondContact O-OH 3.11Å; F191-F299 HydrophobicContact CB-CD1 3.7Å; F191-F299 HydrophobicContact CB-CE1 3.71Å; F191-F299 HydrophobicContact CB-CG 4.39Å; F191-F299 HydrophobicContact CB-CZ 4.41Å; F191-F299 HydrophobicContact CG-CD1 4.31Å
192G81.6Confident86.5Confident14 Ų1453 Ų5314%0.14428%0.277CS..EExtended strand (participates in β ladder)trans121.8-149.7-172.500000110.6N187 K188N187-G192 CarbonylContact C-O 3.46Å; N187-G192 WeakPolarHBondContact CA-O 3.47Å; N187-G192 PolarHBondContact OD1-O 2.82Å; K188-G192 PolarHBondContact N-O 2.76Å; K188-G192 PolarHBondContact O-N 3.41Å
193K90.5Very high86.8Confident84 Ų8455.9 Ų55.937%0.36528%0.278SS..EExtended strand (participates in β ladder)trans-111.2124.1-176.4-158.2176.7-177.1-174.20111.7Y185 E186 F308Y185-K193 HydrophobicContact CD1-CD 4.46Å; Y185-K193 HydrophobicContact CD2-CG 4.35Å; Y185-K193 HydrophobicContact CE1-CD 3.69Å; Y185-K193 HydrophobicContact CE1-CG 4.03Å; Y185-K193 HydrophobicContact CE2-CB 4.37Å; Y185-K193 HydrophobicContact CE2-CD 4.25Å; Y185-K193 HydrophobicContact CE2-CG 3.77Å; Y185-K193 WeakPolarHBondContact OH-CD 3.39Å; E186-K193 VanDerWaalsContact O-CA 3.31Å; E186-K193 WeakPolarHBondContact O-CA 3.21Å; K193-F308 HydrophobicContact CB-CB 4.23Å; K193-F308 HydrophobicContact CB-CD1 3.73Å; K193-F308 HydrophobicContact CB-CE1 4.27Å; K193-F308 HydrophobicContact CB-CG 4.07Å
194G93.1Very high86.7Confident0 Ų057.5 Ų57.50%028%0.276CS..EExtended strand (participates in β ladder)trans178-158.1-168.200000113.5Y185 E186 F299 V300Y185-G194 CarbonylContact C-O 3.56Å; Y185-G194 VanDerWaalsContact CA-O 3.22Å; Y185-G194 WeakPolarHBondContact CA-O 3.32Å; E186-G194 PolarHBondContact N-O 3.03Å; E186-G194 PolarHBondContact O-N 2.99Å; G194-F299 VanDerWaalsContact C-CE2 3.49Å; G194-F299 VanDerWaalsContact N-CZ 3.26Å; G194-V300 CarbonylContact C-O 3.59Å; G194-V300 VanDerWaalsContact CA-O 3.25Å; G194-V300 WeakPolarHBondContact CA-O 3.06Å
195W94.1Very high86.6Confident0 Ų059.5 Ų59.50%028%0.283CS..EExtended strand (participates in β ladder)trans-120.5127.1-172.1-59.2-89.5000111.5M180 Y185 I197 F299 V300 L302 M309 F311 T312 L315M180-W195 HydrophobicContact CE-CB 4.26Å; M180-W195 HydrophobicContact CE-CG 3.97Å; M180-W195 HydrophobicContact SD-CB 3.85Å; M180-W195 HydrophobicContact SD-CG 4.1Å; Y185-W195 HydrophobicContact CD2-CD2 4.25Å; Y185-W195 AromaticContact CD2-CE2 3.66Å; Y185-W195 AromaticContact CD2-CH2 3.84Å; Y185-W195 HydrophobicContact CD2-CH2 3.84Å; Y185-W195 AromaticContact CD2-CZ2 3.43Å; Y185-W195 HydrophobicContact CD2-CZ2 3.43Å; Y185-W195 VanDerWaalsContact CD2-CZ2 3.43Å; Y185-W195 HydrophobicContact CD2-CZ3 4.42Å; Y185-W195 AromaticContact CE2-CH2 3.93Å; Y185-W195 HydrophobicContact CE2-CH2 3.93Å; Y185-W195 AromaticContact CE2-CZ2 3.96Å; Y185-W195 HydrophobicContact CE2-CZ2 3.96Å; Y185-W195 HydrophobicContact CG-CZ2 4.13Å; W195-I197 HydrophobicContact CB-CG1 4.31Å; W195-F299 CarbonylContact O-C 3.56Å; W195-F299 WeakPolarHBondContact O-CA 3.29Å; W195-V300 PolarHBondContact N-O 3.36Å; W195-V300 PolarHBondContact O-N 2.64Å; W195-L302 HydrophobicContact CZ3-CB 3.99Å; W195-M309 WeakPolarHBondContact CH2-O 3.24Å; W195-F311 HydrophobicContact CH2-CB 3.83Å; W195-F311 HydrophobicContact CH2-CD2 4.28Å; W195-F311 HydrophobicContact CZ2-CB 4.24Å; W195-T312 PolarHBondContact NE1-OG1 2.82Å; W195-L315 HydrophobicContact CB-CD2 3.75Å; W195-L315 HydrophobicContact CD2-CD2 3.79Å; W195-L315 HydrophobicContact CE3-CD2 4.25Å; W195-L315 HydrophobicContact CG-CD2 3.53Å
196E93.5Very high86.3Confident25 Ų2561.8 Ų61.812%0.11730%0.297CS..EExtended strand (participates in β ladder)trans-86.5112.1167.5-171.4170.2-98.800109.7M180 S181 K188 K297 I298 F299M180-E196 WeakPolarHBondContact CA-O 3.44Å; S181-E196 PolarHBondContact N-O 2.65Å; K188-E196 IonicContact NZ-OE1 3.66Å; K188-E196 PolarHBondContact NZ-OE1 3.14Å; K188-E196 IonicContact NZ-OE2 2.82Å; K188-E196 PolarHBondContact NZ-OE2 2.79Å; E196-K297 HydrophobicContact CG-CB 3.94Å; E196-K297 HydrophobicContact CG-CD 3.68Å; E196-K297 HydrophobicContact CG-CG 4.44Å; E196-K297 WeakPolarHBondContact OE2-CD 3.13Å; E196-K297 IonicContact OE2-NZ 2.76Å; E196-K297 PolarHBondContact OE2-NZ 3.29Å; E196-I298 CarbonylContact C-O 3.44Å; E196-I298 WeakPolarHBondContact CA-O 3.46Å; E196-F299 HydrophobicContact CB-CD2 4.26Å
197I92.8Very high85.7Confident0 Ų070.8 Ų70.80%034%0.335CS..EExtended strand (participates in β ladder)trans-105.6131.1-176-60.6174.9000108.5I171 N175 N178 W195 K297 I298 V300 L315I171-I197 HydrophobicContact CD1-CD1 3.98Å; N175-I197 HydrophobicContact CB-CG2 4.42Å; N175-I197 WeakPolarHBondContact ND2-CG2 3.35Å; N178-I197 HydrophobicContact CB-CD1 4.28Å; W195-I197 HydrophobicContact CB-CG1 4.31Å; I197-K297 WeakPolarHBondContact O-CA 2.97Å; I197-I298 HydrophobicContact CB-CG1 3.96Å; I197-I298 PolarHBondContact N-O 2.94Å; I197-I298 PolarHBondContact O-N 2.83Å; I197-V300 HydrophobicContact CD1-CB 4.24Å; I197-V300 HydrophobicContact CD1-CG2 3.69Å; I197-L315 HydrophobicContact CD1-CD2 3.93Å; I197-L315 HydrophobicContact CD1-CG 4.49Å; I197-L315 HydrophobicContact CG1-CD2 4.43Å
198H93.4Very high85.3Confident67 Ų6768.4 Ų68.431%0.3134%0.34SS..EExtended strand (participates in β ladder)trans-63.7139.6173.4-172.459.3000110N175 K179 P200 D296N175-H198 WeakPolarHBondContact CB-O 3.16Å; N175-H198 VanDerWaalsContact CG-O 3.29Å; N175-H198 PolarHBondContact ND2-N 3.28Å; N175-H198 PolarHBondContact ND2-O 2.88Å; K179-H198 PolarHBondContact O-N 2.97Å; K179-H198 VanDerWaalsContact O-N 3.15Å; H198-P200 VanDerWaalsContact CD2-CD 3.45Å; H198-P200 WeakPolarHBondContact CD2-CD 3.49Å; H198-P200 WeakPolarHBondContact NE2-CD 3.43Å; H198-P200 WeakPolarHBondContact NE2-CG 3.01Å; H198-D296 IonicContact CE1-OD2 3.95Å; H198-D296 PolarHBondContact CE1-OD2 2.86Å; H198-D296 IonicContact ND1-OD2 3.72Å; H198-D296 PolarHBondContact ND1-OD2 3.1Å
199C94.5Very high85.3Confident0 Ų068.5 Ų68.50%036%0.355CS..  trans-156.161.4-173.3-170.70000110.9C172 S174 P216 R287 D296 I298C172-C199 HydrophobicContact CB-CB 3.78Å; C172-C199 WeakPolarHBondContact CB-SG 3.46Å; C172-C199 WeakPolarHBondContact SG-CA 3.49Å; C172-C199 WeakPolarHBondContact SG-CB 3.31Å; C172-C199 CovalentContact SG-SG 2.02Å; C172-C199 PolarHBondContact SG-SG 3.22Å; S174-C199 VanDerWaalsContact OG-C 3.27Å; C199-P216 WeakPolarHBondContact SG-CG 3Å; C199-R287 WeakPolarHBondContact O-CD 3.36Å; C199-R287 PolarHBondContact O-NE 2.75Å; C199-D296 CarbonylContact C-O 3.58Å; C199-D296 VanDerWaalsContact CA-O 3.28Å; C199-D296 WeakPolarHBondContact CA-O 3.47Å; C199-D296 PolarHBondContact N-O 2.8Å; C199-I298 HydrophobicContact CB-CG1 4.35Å; C199-I298 HydrophobicContact CB-CG2 4.18Å
200P93.5Very high85.8Confident34 Ų3464.6 Ų64.622%0.22135%0.346CS..PPolyproline II helixtrans-69.9171.7-173.931.5-37.5000112.2S174 H198 P216S174-P200 WeakPolarHBondContact CB-O 3.2Å; S174-P200 VanDerWaalsContact OG-CD 3.25Å; S174-P200 WeakPolarHBondContact OG-CD 3.34Å; S174-P200 PolarHBondContact OG-O 3.06Å; H198-P200 VanDerWaalsContact CD2-CD 3.45Å; H198-P200 WeakPolarHBondContact CD2-CD 3.49Å; H198-P200 WeakPolarHBondContact NE2-CD 3.43Å; H198-P200 WeakPolarHBondContact NE2-CG 3.01Å; P200-P216 WeakPolarHBondContact O-CG 3.37Å
201N92.8Very high86.5Confident70 Ų7065.5 Ų65.537%0.37435%0.349SS..PPolyproline II helixtrans-60.1143173-71.3-17000111.4H213 R214 L215 R287N201-H213 HydrophobicContact CB-CB 4.26Å; N201-R214 WeakPolarHBondContact CA-O 3.44Å; N201-L215 WeakPolarHBondContact OD1-CD2 3.36Å; N201-R287 PolarHBondContact OD1-NH2 3.1Å
202T89.1Confident87.2Confident25 Ų2565.9 Ų65.915%0.15336%0.355CS..EExtended strand (participates in β ladder)trans-95.2139.7177-53.80000109.5H213 R214T202-H213 WeakPolarHBondContact O-CA 3.42Å; T202-R214 PolarHBondContact N-O 3Å; T202-R214 PolarHBondContact O-N 2.89Å
203E86.4Confident87.4Confident105 Ų10570.6 Ų70.649%0.49137%0.373SS..EExtended strand (participates in β ladder)trans-79.1130.3169.2-73.6-178-162.600110.5K211 H213E203-K211 IonicContact OE2-NZ 3.8Å; E203-K211 PolarHBondContact OE2-NZ 3.01Å; E203-H213 WeakPolarHBondContact CG-CE1 3.23Å; E203-H213 IonicContact OE1-CE1 3.55Å
204Q82.1Confident87.5Confident92 Ų9269.5 Ų69.543%0.4337%0.366SS..EExtended strand (participates in β ladder)trans-118.9124.3170.6-176.4173.38.900109.4V212 R214Q204-V212 PolarHBondContact N-O 3.37Å; Q204-V212 PolarHBondContact O-N 3.41Å; Q204-R214 HydrophobicContact CB-CG 4.41Å; Q204-R214 VanDerWaalsContact OE1-CD 3.28Å
205L82.5Confident87.5Confident123 Ų12371.8 Ų71.864%0.64438%0.378SS*.EExtended strand (participates in β ladder)trans-79.7119.2170.7-83.2142000109.5K211L205-K211 HydrophobicContact CD2-CG 4.07Å; L205-K211 HydrophobicContact CG-CG 4.29Å
206L80.7Confident87.5Confident76 Ų7671.8 Ų71.840%0.39838%0.378SS..  trans-77.7164.1171.7-63.5-177.5000110.7G208 G209 E210 V212L206-G208 PolarHBondContact O-N 3.06Å; L206-G209 PolarHBondContact O-N 3.41Å; L206-E210 HydrophobicContact CB-CB 4.48Å; L206-E210 HydrophobicContact CD1-CB 4.46Å; L206-E210 PolarHBondContact N-O 3.39Å; L206-V212 HydrophobicContact CD1-CG2 3.51Å; L206-V212 HydrophobicContact CG-CG2 3.94Å
207K73.7Confident87.5Confident234 Ų23471.7 Ų71.7100%1.01738%0.379SS*.THydrogen-bonded Turntrans-62.85.4179.4-74.5-173.3175.3-178.10115.1
208G78.8Confident87.5Confident75 Ų7571.7 Ų71.777%0.77338%0.379SS*.THydrogen-bonded Turntrans-117.611172.300000114.5L206 E210L206-G208 PolarHBondContact O-N 3.06Å; G208-E210 PolarHBondContact O-N 3.22Å
209G82Confident87.5Confident53 Ų5370.3 Ų70.355%0.54637%0.371SS..SBendtrans79.6-7-176.300000114.7L206 K211L206-G209 PolarHBondContact O-N 3.41Å; G209-K211 PolarHBondContact O-N 2.77Å
210E82.9Confident87.4Confident128 Ų12870.3 Ų70.360%0.59837%0.371SS*.  trans-64.5130.5173-170.2179.1-176.800110.7L206 G208 V212L206-E210 HydrophobicContact CB-CB 4.48Å; L206-E210 HydrophobicContact CD1-CB 4.46Å; L206-E210 PolarHBondContact N-O 3.39Å; G208-E210 PolarHBondContact O-N 3.22Å; E210-V212 HydrophobicContact CG-CG2 4.38Å
211K84.8Confident87.3Confident123 Ų12368.8 Ų68.854%0.53536%0.361SS..EExtended strand (participates in β ladder)trans-92.9119.2175.1-69.3-177.1167.1-152.60109.4E203 L205 G209E203-K211 IonicContact OE2-NZ 3.8Å; E203-K211 PolarHBondContact OE2-NZ 3.01Å; L205-K211 HydrophobicContact CD2-CG 4.07Å; L205-K211 HydrophobicContact CG-CG 4.29Å; G209-K211 PolarHBondContact O-N 2.77Å
212V87.4Confident87.3Confident55 Ų5565.4 Ų65.433%0.33334%0.343SS..EExtended strand (participates in β ladder)trans-112.6131.9174.3179.30000109.5Q204 L206 E210Q204-V212 PolarHBondContact N-O 3.37Å; Q204-V212 PolarHBondContact O-N 3.41Å; L206-V212 HydrophobicContact CD1-CG2 3.51Å; L206-V212 HydrophobicContact CG-CG2 3.94Å; E210-V212 HydrophobicContact CG-CG2 4.38Å
213H87.6Confident87.4Confident114 Ų11464.7 Ų64.753%0.52834%0.339SS..EExtended strand (participates in β ladder)trans-80.5128.1170.8-68-76.9000110N201 T202 E203N201-H213 HydrophobicContact CB-CB 4.26Å; T202-H213 WeakPolarHBondContact O-CA 3.42Å; E203-H213 WeakPolarHBondContact CG-CE1 3.23Å; E203-H213 IonicContact OE1-CE1 3.55Å
214R91.6Very high87.7Confident60 Ų6059.8 Ų59.823%0.22632%0.316CS..EExtended strand (participates in β ladder)trans-126.2164.2174.465.2162.8176.983.10.1111.6E173 N201 T202 Q204E173-R214 VanDerWaalsContact CD-NH2 3.34Å; E173-R214 IonicContact OE1-CZ 2.72Å; E173-R214 IonicContact OE1-NH1 2.62Å; E173-R214 IonicContact OE1-NH2 3.62Å; E173-R214 PolarHBondContact OE1-NH2 3.33Å; E173-R214 IonicContact OE2-CZ 3.59Å; E173-R214 IonicContact OE2-NH1 2.76Å; E173-R214 PolarHBondContact OE2-NH1 3.26Å; E173-R214 IonicContact OE2-NH2 3.58Å; E173-R214 PolarHBondContact OE2-NH2 3.38Å; N201-R214 WeakPolarHBondContact CA-O 3.44Å; T202-R214 PolarHBondContact N-O 3Å; T202-R214 PolarHBondContact O-N 2.89Å; Q204-R214 HydrophobicContact CB-CG 4.41Å; Q204-R214 VanDerWaalsContact OE1-CD 3.28Å
215L92.6Very high88.2Confident48 Ų4857.1 Ų57.125%0.25130%0.303SS..PPolyproline II helixtrans-67.8137.3173.8-60.9169000110.4N201 N289N201-L215 WeakPolarHBondContact OD1-CD2 3.36Å; L215-N289 HydrophobicContact CD1-CB 3.85Å; L215-N289 HydrophobicContact CD2-CB 3.67Å; L215-N289 HydrophobicContact CG-CB 4.36Å
216P93.9Very high88.3Confident0 Ų051.3 Ų51.30%027%0.273CS..PPolyproline II helixtrans-70.2147178.230.5-36.3000110.7E173 C199 P200 K286 R287E173-P216 HydrophobicContact CB-CB 4.03Å; C199-P216 WeakPolarHBondContact SG-CG 3Å; P200-P216 WeakPolarHBondContact O-CG 3.37Å; P216-K286 WeakPolarHBondContact O-CA 3.36Å; P216-R287 HydrophobicContact CG-CB 3.8Å; P216-R287 PolarHBondContact O-N 2.97Å; P216-R287 VanDerWaalsContact O-N 3.12Å
217N93.7Very high88.2Confident24 Ų2451.9 Ų51.913%0.12828%0.276CS..EExtended strand (participates in β ladder)trans-70.2149.1169.1-63.5-41.5000110.7E173 Y219 I283 K286E173-N217 HydrophobicContact CB-CB 4.21Å; E173-N217 WeakPolarHBondContact CB-O 3.2Å; E173-N217 PolarHBondContact N-O 2.93Å; E173-N217 PolarHBondContact OE2-N 3.22Å; E173-N217 PolarHBondContact OE2-ND2 2.99Å; E173-N217 VanDerWaalsContact OE2-ND2 3.17Å; N217-Y219 HydrophobicContact CB-CE1 4.5Å; N217-I283 HydrophobicContact CB-CD1 4.45Å; N217-I283 HydrophobicContact CB-CG1 4.31Å; N217-I283 HydrophobicContact CB-CG2 4.18Å; N217-K286 WeakPolarHBondContact OD1-CE 3.27Å
218I94Very high88.3Confident0 Ų040.9 Ų40.90%023%0.229CC..EExtended strand (participates in β ladder)trans-108.7127.6172.8-56.4-59.2000108I171 C172 I264 A267 I284 G285 R287 I298I171-I218 HydrophobicContact CG2-CG2 4.45Å; I171-I218 CarbonylContact O-C 3.38Å; I171-I218 WeakPolarHBondContact O-CA 2.89Å; C172-I218 HydrophobicContact CB-CD1 4.38Å; I218-I264 HydrophobicContact CG2-CD1 3.93Å; I218-I264 HydrophobicContact CG2-CG2 4.12Å; I218-A267 HydrophobicContact CG1-CB 4.12Å; I218-I284 HydrophobicContact CG2-CD1 4.19Å; I218-I284 HydrophobicContact CG2-CG1 4.1Å; I218-I284 VanDerWaalsContact O-CG1 3.32Å; I218-I284 WeakPolarHBondContact O-CG1 3.23Å; I218-I284 PolarHBondContact O-N 3.05Å; I218-G285 PolarHBondContact N-O 3.31Å; I218-G285 PolarHBondContact O-N 2.9Å; I218-R287 HydrophobicContact CD1-CB 4.34Å; I218-I298 HydrophobicContact CD1-CD1 4.05Å; I218-I298 HydrophobicContact CD1-CG2 4.08Å
219Y91.9Very high88.4Confident38 Ų3843.4 Ų43.415%0.14922%0.215CC..EExtended strand (participates in β ladder)trans-99.2149.3178.3-55.7-63.9000110.9Q170 I171 E173 N217 P221 G281 Q282 I283Q170-Y219 HydrophobicContact CB-CD2 4.43Å; Q170-Y219 HydrophobicContact CG-CD2 4.1Å; Q170-Y219 HydrophobicContact CG-CE2 4.19Å; Q170-Y219 VanDerWaalsContact O-CB 3.3Å; Q170-Y219 WeakPolarHBondContact O-CB 3.04Å; Q170-Y219 WeakPolarHBondContact O-CD2 3.26Å; I171-Y219 PolarHBondContact O-N 2.84Å; E173-Y219 HydrophobicContact CB-CE2 4.1Å; N217-Y219 HydrophobicContact CB-CE1 4.5Å; Y219-P221 WeakPolarHBondContact O-CD 3.46Å; Y219-G281 WeakPolarHBondContact CD1-O 3.43Å; Y219-Q282 CarbonylContact C-O 3.49Å; Y219-Q282 VanDerWaalsContact CA-O 3.25Å; Y219-Q282 WeakPolarHBondContact CA-O 3.38Å; Y219-I283 HydrophobicContact CD1-CG1 3.81Å; Y219-I283 HydrophobicContact CE1-CD1 4.36Å; Y219-I283 HydrophobicContact CE1-CG1 3.54Å
220S92.8Very high88.5Confident0 Ų042.9 Ų42.90%020%0.198CC..  trans-65.9124.1174.1-165.80000110I222 R279 Q280 G281 Q282S220-I222 PolarHBondContact O-N 3.49Å; S220-I222 PolarHBondContact OG-O 3.31Å; S220-R279 WeakPolarHBondContact CB-O 3.11Å; S220-Q280 CarbonylContact O-C 3.53Å; S220-Q280 WeakPolarHBondContact O-CA 3.48Å; S220-G281 PolarHBondContact O-N 3.04Å; S220-Q282 PolarHBondContact N-O 2.98Å
221P92.7Very high88.5Confident1 Ų139.2 Ų39.21%0.00618%0.179CC..SBendtrans-72.6-16.4177.328.2-34.6000112.8T168 I171 Y219 A262 I264 Q280T168-P221 CarbonylContact C-O 3.21Å; T168-P221 WeakPolarHBondContact CA-O 3.43Å; T168-P221 VanDerWaalsContact CB-O 3.31Å; T168-P221 WeakPolarHBondContact CB-O 3.46Å; T168-P221 HydrophobicContact CG2-CB 4.21Å; T168-P221 CarbonylContact O-C 3.57Å; T168-P221 WeakPolarHBondContact O-CA 3.09Å; I171-P221 HydrophobicContact CD1-CB 3.9Å; I171-P221 HydrophobicContact CG1-CB 4.06Å; Y219-P221 WeakPolarHBondContact O-CD 3.46Å; P221-A262 HydrophobicContact CG-CB 3.59Å; P221-I264 HydrophobicContact CG-CD1 4.29Å; P221-Q280 PolarHBondContact O-NE2 2.85Å
222I92.5Very high88Confident0 Ų035.1 Ų35.10%017%0.165CC..SBendtrans-144.1159.8-173.863.9176.2000110.3S220 V251 W257 F260 A262 Q280 L302S220-I222 PolarHBondContact O-N 3.49Å; S220-I222 PolarHBondContact OG-O 3.31Å; I222-V251 HydrophobicContact CD1-CG1 4.28Å; I222-V251 HydrophobicContact CG1-CB 4.46Å; I222-V251 HydrophobicContact CG1-CG1 3.94Å; I222-W257 HydrophobicContact CB-CB 4.19Å; I222-W257 HydrophobicContact CB-CD2 3.66Å; I222-W257 HydrophobicContact CB-CE3 3.95Å; I222-W257 HydrophobicContact CB-CG 3.78Å; I222-W257 HydrophobicContact CG2-CD2 3.46Å; I222-W257 VanDerWaalsContact CG2-CD2 3.46Å; I222-W257 HydrophobicContact CG2-CE3 3.26Å; I222-W257 HydrophobicContact CG2-CG 4.13Å; I222-W257 HydrophobicContact CG2-CH2 3.81Å; I222-W257 HydrophobicContact CG2-CZ2 4.01Å; I222-W257 HydrophobicContact CG2-CZ3 3.45Å; I222-W257 VanDerWaalsContact CG2-CZ3 3.45Å; I222-F260 HydrophobicContact CD1-CB 4.16Å; I222-A262 HydrophobicContact CD1-CB 3.87Å; I222-A262 HydrophobicContact CG1-CB 4.16Å; I222-Q280 PolarHBondContact O-N 2.77Å; I222-L302 HydrophobicContact CD1-CD1 4.46Å; I222-L302 HydrophobicContact CG2-CD1 4.12Å
223D91.6Very high87.4Confident10 Ų1034.9 Ų34.95%0.05316%0.159CC..SBendtrans-71.7140.4163.8-69.4-41.4000109.6G253 A254 R279 Q280D223-G253 WeakPolarHBondContact O-CA 3.41Å; D223-A254 PolarHBondContact O-N 2.9Å; D223-R279 WeakPolarHBondContact OD1-CA 3.12Å; D223-R279 WeakPolarHBondContact OD1-CD 3.42Å; D223-Q280 PolarHBondContact OD1-N 3.3Å
224G93.1Very high86.5Confident1 Ų133 Ų331%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-179.6-166.7-175.900000116L252 T277 V278G224-L252 CarbonylContact C-O 3.58Å; G224-L252 WeakPolarHBondContact CA-O 3.4Å; G224-T277 CarbonylContact O-C 3.42Å; G224-T277 WeakPolarHBondContact O-CA 3.37Å; G224-V278 PolarHBondContact N-O 3.23Å; G224-V278 PolarHBondContact O-N 2.7Å
225H91.8Very high85.3Confident37 Ų3733.9 Ų33.917%0.17117%0.172CC..EExtended strand (participates in β ladder)trans-111.4122.5167.2-60.2-64.8000109.1L227 L252 R275 Q276H225-L227 HydrophobicContact CB-CD2 4.37Å; H225-L227 PolarHBondContact O-N 2.67Å; H225-L252 PolarHBondContact N-O 3.18Å; H225-L252 PolarHBondContact O-N 2.92Å; H225-R275 HydrophobicContact CB-CG 4.02Å; H225-R275 PolarHBondContact CD2-NH2 2.89Å; H225-R275 PolarHBondContact NE2-NH2 3.07Å; H225-Q276 CarbonylContact C-O 3.5Å; H225-Q276 VanDerWaalsContact CA-O 3.31Å; H225-Q276 WeakPolarHBondContact CA-O 3.41Å
226F85.1Confident84Confident0 Ų041.8 Ų41.80%021%0.208CC..EExtended strand (participates in β ladder)trans-70.2126.8167.6175.8-103000108.6G228 I249 F269 G274 Q276 V278F226-G228 VanDerWaalsContact CE1-CA 3.49Å; F226-G228 WeakPolarHBondContact CE2-O 3.38Å; F226-G228 WeakPolarHBondContact CZ-O 3.46Å; F226-I249 HydrophobicContact CD2-CG2 3.93Å; F226-I249 HydrophobicContact CE2-CG2 3.66Å; F226-F269 HydrophobicContact CE1-CB 4.44Å; F226-F269 HydrophobicContact CE1-CD2 4.12Å; F226-F269 HydrophobicContact CE1-CG 4.38Å; F226-F269 HydrophobicContact CE2-CB 3.7Å; F226-F269 HydrophobicContact CE2-CG 4.28Å; F226-F269 HydrophobicContact CZ-CB 3.38Å; F226-F269 HydrophobicContact CZ-CD1 4.22Å; F226-F269 AromaticContact CZ-CD2 3.7Å; F226-F269 HydrophobicContact CZ-CD2 3.7Å; F226-F269 AromaticContact CZ-CG 3.51Å; F226-F269 HydrophobicContact CZ-CG 3.51Å; F226-G274 VanDerWaalsContact O-O 3.07Å; F226-Q276 PolarHBondContact N-O 2.81Å; F226-V278 HydrophobicContact CB-CG1 3.8Å
227L77.8Confident82.7Confident88 Ų8847.1 Ų47.146%0.46124%0.236SC..EExtended strand (participates in β ladder)trans-103.8-12.2178-56.2-171000113.4H225 F250 L252 R275H225-L227 HydrophobicContact CB-CD2 4.37Å; H225-L227 PolarHBondContact O-N 2.67Å; L227-F250 HydrophobicContact CB-CD1 3.94Å; L227-F250 HydrophobicContact CB-CE1 4.49Å; L227-F250 HydrophobicContact CD1-CD1 3.73Å; L227-F250 HydrophobicContact CD1-CE1 3.41Å; L227-F250 VanDerWaalsContact CD1-CE1 3.41Å; L227-F250 HydrophobicContact CG-CD1 3.88Å; L227-F250 HydrophobicContact CG-CE1 3.97Å; L227-F250 PolarHBondContact N-O 3.4Å; L227-L252 HydrophobicContact CD1-CB 4.3Å; L227-L252 HydrophobicContact CG-CB 4.36Å; L227-R275 HydrophobicContact CD2-CG 4.44Å
228G75.3Confident81.5Confident4 Ų449 Ų494%0.04126%0.26CS..EExtended strand (participates in β ladder)trans129.3-156.5-178.500000113.6F226 F250F226-G228 VanDerWaalsContact CE1-CA 3.49Å; F226-G228 WeakPolarHBondContact CE2-O 3.38Å; F226-G228 WeakPolarHBondContact CZ-O 3.46Å; G228-F250 PolarHBondContact O-N 3.01Å
229R80.9Confident80.3Confident128 Ų12853.3 Ų53.348%0.48328%0.283SS..EExtended strand (participates in β ladder)trans-84.2151.1170.265.1176.1-176.6-156.2-4111.3G248 F269R229-G248 VanDerWaalsContact CA-O 3.26Å; R229-G248 WeakPolarHBondContact CA-O 3.27Å; R229-F269 HydrophobicContact CB-CD1 3.92Å; R229-F269 HydrophobicContact CB-CE1 3.74Å; R229-F269 HydrophobicContact CG-CE1 4.18Å
230F84.4Confident79.2Confident41 Ų4156.1 Ų56.118%0.1830%0.297CS..EExtended strand (participates in β ladder)trans-125.2156.9162.178-80.1000110P232 G248 I249 F250 H263 Y265F230-P232 HydrophobicContact CD2-CG 4.14Å; F230-P232 HydrophobicContact CE2-CB 4.32Å; F230-P232 HydrophobicContact CE2-CG 3.6Å; F230-P232 HydrophobicContact CZ-CG 4.27Å; F230-G248 WeakPolarHBondContact CD1-O 3.17Å; F230-G248 VanDerWaalsContact CE1-C 3.4Å; F230-G248 PolarHBondContact N-O 2.86Å; F230-G248 PolarHBondContact O-N 3.27Å; F230-I249 WeakPolarHBondContact CE1-O 3.28Å; F230-F250 HydrophobicContact CD1-CB 3.97Å; F230-H263 HydrophobicContact CE1-CB 3.98Å; F230-H263 HydrophobicContact CE2-CB 4.49Å; F230-H263 HydrophobicContact CZ-CB 3.73Å; F230-Y265 AromaticContact CE2-CD1 3.92Å; F230-Y265 HydrophobicContact CE2-CD1 3.92Å; F230-Y265 AromaticContact CE2-CE1 3.4Å; F230-Y265 HydrophobicContact CE2-CE1 3.4Å; F230-Y265 AromaticContact CE2-CZ 3.79Å; F230-Y265 AromaticContact CZ-CD1 3.69Å; F230-Y265 HydrophobicContact CZ-CD1 3.69Å; F230-Y265 HydrophobicContact CZ-CD2 4.22Å; F230-Y265 AromaticContact CZ-CE1 3.49Å; F230-Y265 HydrophobicContact CZ-CE1 3.49Å; F230-Y265 VanDerWaalsContact CZ-CE1 3.49Å; F230-Y265 HydrophobicContact CZ-CE2 4.06Å; F230-Y265 HydrophobicContact CZ-CG 4.07Å; F230-Y265 AromaticContact CZ-CZ 3.68Å
231R82.3Confident78.3Confident51 Ų5158.1 Ų58.119%0.19231%0.308CS..  trans-119.2102.7-179.9-70.9-167177.7129.7-10.4110.8K233 E240 Y242 N246 D247R231-K233 PolarHBondContact O-N 2.89Å; R231-E240 IonicContact CZ-OE2 2.62Å; R231-E240 IonicContact NH1-OE2 2.74Å; R231-E240 PolarHBondContact NH1-OE2 2.88Å; R231-Y242 VanDerWaalsContact NH2-CD1 3.3Å; R231-N246 WeakPolarHBondContact CA-O 3.48Å; R231-N246 WeakPolarHBondContact CG-O 3.05Å; R231-D247 IonicContact NE-OD1 3.8Å
232P75Confident77.6Confident37 Ų3765.5 Ų65.524%0.2434%0.337CS..  trans-61.1-40-174.3-20.424.7000115H190 F191 F230 N246 Y265H190-P232 WeakPolarHBondContact O-CB 3.28Å; F191-P232 HydrophobicContact CD1-CB 4.35Å; F191-P232 HydrophobicContact CD1-CG 4.44Å; F230-P232 HydrophobicContact CD2-CG 4.14Å; F230-P232 HydrophobicContact CE2-CB 4.32Å; F230-P232 HydrophobicContact CE2-CG 3.6Å; F230-P232 HydrophobicContact CZ-CG 4.27Å; P232-N246 VanDerWaalsContact CD-O 3.28Å; P232-N246 WeakPolarHBondContact CD-O 3.46Å; P232-N246 VanDerWaalsContact CD-OD1 3.23Å; P232-N246 WeakPolarHBondContact CD-OD1 3.36Å; P232-Y265 HydrophobicContact CB-CD1 4.01Å; P232-Y265 HydrophobicContact CB-CE1 3.74Å; P232-Y265 HydrophobicContact CG-CD1 3.33Å; P232-Y265 HydrophobicContact CG-CE1 3.45Å; P232-Y265 VanDerWaalsContact CG-CE1 3.45Å
233K74.8Confident77Confident51 Ų5166.9 Ų66.922%0.22235%0.348CS..PPolyproline II helixtrans-97.9117.3-173.8-61.6166.1-177.5175.10109.7H190 R231 N241 N246H190-K233 HydrophobicContact CB-CD 4.35Å; H190-K233 HydrophobicContact CB-CG 3.76Å; R231-K233 PolarHBondContact O-N 2.89Å; K233-N241 HydrophobicContact CB-CB 4.3Å; K233-N241 VanDerWaalsContact O-CB 3.29Å; K233-N241 WeakPolarHBondContact O-CB 3.39Å; K233-N241 PolarHBondContact O-N 3.26Å; K233-N246 WeakPolarHBondContact CA-OD1 3.43Å; K233-N246 WeakPolarHBondContact CB-OD1 3.45Å; K233-N246 WeakPolarHBondContact CG-OD1 3.28Å; K233-N246 PolarHBondContact N-OD1 2.79Å; K233-N246 PolarHBondContact O-ND2 3.05Å
234A69.4Low76.6Confident73 Ų7368.8 Ų68.860%0.60336%0.361SS*.BIsolated β-bridgetrans-87.2149.1156.100000109.2
235L65.3Low76Confident79 Ų7969.3 Ų69.341%0.41437%0.365SS..PPolyproline II helixtrans-67.6156.5163.4-64.7167.1000109N237 G238 I239 N241L235-N237 WeakPolarHBondContact CB-OD1 3.24Å; L235-N237 PolarHBondContact O-N 3.48Å; L235-G238 PolarHBondContact O-N 2.84Å; L235-I239 HydrophobicContact CB-CB 4.3Å; L235-I239 VanDerWaalsContact CB-O 3.23Å; L235-I239 WeakPolarHBondContact CB-O 3.39Å; L235-I239 HydrophobicContact CD1-CB 3.91Å; L235-I239 HydrophobicContact CD1-CG2 3.92Å; L235-I239 WeakPolarHBondContact CG-O 3.43Å; L235-I239 PolarHBondContact N-O 2.81Å; L235-N241 HydrophobicContact CD2-CB 4.43Å; L235-N241 HydrophobicContact CG-CB 4.25Å
236E66.4Low75.7Confident215 Ų21567.6 Ų67.6100%1.00536%0.357SS*.THydrogen-bonded Turntrans-57.6-19.8-175.6-69.6-178166.200114
237N67.1Low75.8Confident112 Ų11268.7 Ų68.760%0.59936%0.363SS*.THydrogen-bonded Turntrans-94.913.3177.158.91.7000114L235 I239L235-N237 WeakPolarHBondContact CB-OD1 3.24Å; L235-N237 PolarHBondContact O-N 3.48Å; N237-I239 VanDerWaalsContact ND2-CD1 3.25Å; N237-I239 WeakPolarHBondContact ND2-CD1 3.47Å; N237-I239 PolarHBondContact O-N 2.84Å; N237-I239 WeakPolarHBondContact OD1-CB 3.48Å; N237-I239 VanDerWaalsContact OD1-CG1 3.32Å; N237-I239 WeakPolarHBondContact OD1-CG1 3.29Å; N237-I239 PolarHBondContact OD1-N 3.36Å
238G67.7Low76.4Confident62 Ų6264.5 Ų64.564%0.63934%0.341SS*.SBendtrans76.52.2-178.500000114.6L235L235-G238 PolarHBondContact O-N 2.84Å
239I67.9Low77.3Confident92 Ų9264.3 Ų64.347%0.47234%0.339SS..  trans-75.4132.7174.6-58.9-179.8000108.7L235 N237 N241L235-I239 HydrophobicContact CB-CB 4.3Å; L235-I239 VanDerWaalsContact CB-O 3.23Å; L235-I239 WeakPolarHBondContact CB-O 3.39Å; L235-I239 HydrophobicContact CD1-CB 3.91Å; L235-I239 HydrophobicContact CD1-CG2 3.92Å; L235-I239 WeakPolarHBondContact CG-O 3.43Å; L235-I239 PolarHBondContact N-O 2.81Å; N237-I239 VanDerWaalsContact ND2-CD1 3.25Å; N237-I239 WeakPolarHBondContact ND2-CD1 3.47Å; N237-I239 PolarHBondContact O-N 2.84Å; N237-I239 WeakPolarHBondContact OD1-CB 3.48Å; N237-I239 VanDerWaalsContact OD1-CG1 3.32Å; N237-I239 WeakPolarHBondContact OD1-CG1 3.29Å; N237-I239 PolarHBondContact OD1-N 3.36Å; I239-N241 PolarHBondContact O-N 3.49Å
240E70.3Confident77.8Confident96 Ų9660 Ų6045%0.44932%0.324SS..BIsolated β-bridgetrans-59.8134.6175.8-65.5-173.7-177.300111.2R231 Y242R231-E240 IonicContact CZ-OE2 2.62Å; R231-E240 IonicContact NH1-OE2 2.74Å; R231-E240 PolarHBondContact NH1-OE2 2.88Å; E240-Y242 HydrophobicContact CB-CD2 4.29Å; E240-Y242 HydrophobicContact CB-CE2 3.75Å; E240-Y242 WeakPolarHBondContact O-CD2 3.42Å; E240-Y242 WeakPolarHBondContact O-CE2 3.14Å; E240-Y242 PolarHBondContact O-N 2.99Å
241N72.9Confident78.2Confident42 Ų4258.1 Ų58.123%0.22532%0.316CS..  trans-80.5112.8172.2-177.6-2.9000109.4K233 L235 I239 A243 N246K233-N241 HydrophobicContact CB-CB 4.3Å; K233-N241 VanDerWaalsContact O-CB 3.29Å; K233-N241 WeakPolarHBondContact O-CB 3.39Å; K233-N241 PolarHBondContact O-N 3.26Å; L235-N241 HydrophobicContact CD2-CB 4.43Å; L235-N241 HydrophobicContact CG-CB 4.25Å; I239-N241 PolarHBondContact O-N 3.49Å; N241-A243 VanDerWaalsContact C-N 3.28Å; N241-A243 PolarHBondContact O-N 3.34Å; N241-A243 WeakPolarHBondContact OD1-CB 3.43Å; N241-A243 PolarHBondContact OD1-N 2.88Å; N241-N246 PolarHBondContact O-ND2 3.4Å
242Y78.8Confident78.8Confident157 Ų15758.7 Ų58.762%0.61632%0.322SS*.  trans-86.810.4-179.4-72.5-96.3000113.9R231 E240R231-Y242 VanDerWaalsContact NH2-CD1 3.3Å; E240-Y242 HydrophobicContact CB-CD2 4.29Å; E240-Y242 HydrophobicContact CB-CE2 3.75Å; E240-Y242 WeakPolarHBondContact O-CD2 3.42Å; E240-Y242 WeakPolarHBondContact O-CE2 3.14Å; E240-Y242 PolarHBondContact O-N 2.99Å
243A79.8Confident79.6Confident28 Ų2857.1 Ų57.123%0.23131%0.313CS..  trans-58.5144.3174.900000111.6N241 S245 N246N241-A243 VanDerWaalsContact C-N 3.28Å; N241-A243 PolarHBondContact O-N 3.34Å; N241-A243 WeakPolarHBondContact OD1-CB 3.43Å; N241-A243 PolarHBondContact OD1-N 2.88Å; A243-S245 PolarHBondContact O-N 2.92Å; A243-N246 WeakPolarHBondContact O-CB 3.18Å; A243-N246 PolarHBondContact O-N 2.6Å
244C83.3Confident80.5Confident50 Ų5055.6 Ų55.634%0.33831%0.31SS..G310 helixtrans-51.4-43.2176.5173.70000111.3N246 D247 L288 C290C244-N246 PolarHBondContact O-N 3.4Å; C244-D247 PolarHBondContact O-N 2.91Å; C244-L288 WeakPolarHBondContact O-CD1 3.28Å; C244-C290 HydrophobicContact CB-CB 3.65Å; C244-C290 WeakPolarHBondContact CB-SG 3.41Å; C244-C290 PolarHBondContact O-SG 2.86Å; C244-C290 VanDerWaalsContact O-SG 3.38Å; C244-C290 WeakPolarHBondContact SG-CA 3.5Å; C244-C290 WeakPolarHBondContact SG-CB 3.3Å; C244-C290 CovalentContact SG-SG 2.04Å; C244-C290 PolarHBondContact SG-SG 2.79Å
245S80.7Confident81.4Confident13 Ų1355.2 Ų55.29%0.09131%0.313CS..G310 helixtrans-66.2-2.1-178.857.80000114.8A243 C290 D292A243-S245 PolarHBondContact O-N 2.92Å; S245-C290 PolarHBondContact N-SG 2.85Å; S245-D292 VanDerWaalsContact CB-OD2 3.31Å; S245-D292 WeakPolarHBondContact CB-OD2 3.25Å; S245-D292 PolarHBondContact OG-OD2 3.32Å
246N83.6Confident82.4Confident0 Ų058.3 Ų58.30%033%0.325CS..G310 helixtrans-108.720-177.6-159.841.6000114R231 P232 K233 N241 A243 C244R231-N246 WeakPolarHBondContact CA-O 3.48Å; R231-N246 WeakPolarHBondContact CG-O 3.05Å; P232-N246 VanDerWaalsContact CD-O 3.28Å; P232-N246 WeakPolarHBondContact CD-O 3.46Å; P232-N246 VanDerWaalsContact CD-OD1 3.23Å; P232-N246 WeakPolarHBondContact CD-OD1 3.36Å; K233-N246 WeakPolarHBondContact CA-OD1 3.43Å; K233-N246 WeakPolarHBondContact CB-OD1 3.45Å; K233-N246 WeakPolarHBondContact CG-OD1 3.28Å; K233-N246 PolarHBondContact N-OD1 2.79Å; K233-N246 PolarHBondContact O-ND2 3.05Å; N241-N246 PolarHBondContact O-ND2 3.4Å; A243-N246 WeakPolarHBondContact O-CB 3.18Å; A243-N246 PolarHBondContact O-N 2.6Å; C244-N246 PolarHBondContact O-N 3.4Å
247D88.2Confident83.6Confident24 Ų2448.1 Ų48.113%0.12828%0.278CS..  trans-99.4138172.4-87.41.7000110.7R231 C244 N266 A267 L288R231-D247 IonicContact NE-OD1 3.8Å; C244-D247 PolarHBondContact O-N 2.91Å; D247-N266 PolarHBondContact O-N 2.93Å; D247-A267 CarbonylContact C-O 3.5Å; D247-A267 PolarHBondContact O-N 2.9Å; D247-L288 HydrophobicContact CB-CD1 3.7Å
248G91.2Very high84.7Confident0 Ų047.3 Ų47.30%028%0.277CS..EExtended strand (participates in β ladder)trans-143.2164.9173.200000112.6R229 F230 I264R229-G248 VanDerWaalsContact CA-O 3.26Å; R229-G248 WeakPolarHBondContact CA-O 3.27Å; F230-G248 WeakPolarHBondContact CD1-O 3.17Å; F230-G248 VanDerWaalsContact CE1-C 3.4Å; F230-G248 PolarHBondContact N-O 2.86Å; F230-G248 PolarHBondContact O-N 3.27Å; G248-I264 CarbonylContact C-O 3.37Å; G248-I264 WeakPolarHBondContact CA-O 3.45Å
249I92.8Very high85.9Confident0 Ų047.5 Ų47.50%026%0.263CS..EExtended strand (participates in β ladder)trans-106.6130.9179.5-60.6173.7000109.7F226 F230 V251 H263 I264 A267 F269 I284F226-I249 HydrophobicContact CD2-CG2 3.93Å; F226-I249 HydrophobicContact CE2-CG2 3.66Å; F230-I249 WeakPolarHBondContact CE1-O 3.28Å; I249-V251 HydrophobicContact CG2-CG2 4.29Å; I249-H263 WeakPolarHBondContact O-CA 3.1Å; I249-I264 HydrophobicContact CB-CB 4.35Å; I249-I264 PolarHBondContact N-O 2.9Å; I249-I264 PolarHBondContact O-N 2.78Å; I249-A267 HydrophobicContact CD1-CB 3.83Å; I249-A267 HydrophobicContact CG1-CB 4.14Å; I249-F269 HydrophobicContact CD1-CB 4.25Å; I249-F269 HydrophobicContact CG1-CB 4.08Å; I249-I284 HydrophobicContact CD1-CD1 4.33Å; I249-I284 HydrophobicContact CD1-CG1 4.28Å; I249-I284 HydrophobicContact CG2-CD1 3.83Å
250F92Very high87.1Confident38 Ų3843.2 Ų43.217%0.16724%0.241CC..EExtended strand (participates in β ladder)trans-113.1128.1175.8179.5-97.3000111.6L227 G228 F230 L252 T261 H263L227-F250 HydrophobicContact CB-CD1 3.94Å; L227-F250 HydrophobicContact CB-CE1 4.49Å; L227-F250 HydrophobicContact CD1-CD1 3.73Å; L227-F250 HydrophobicContact CD1-CE1 3.41Å; L227-F250 VanDerWaalsContact CD1-CE1 3.41Å; L227-F250 HydrophobicContact CG-CD1 3.88Å; L227-F250 HydrophobicContact CG-CE1 3.97Å; L227-F250 PolarHBondContact N-O 3.4Å; G228-F250 PolarHBondContact O-N 3.01Å; F230-F250 HydrophobicContact CD1-CB 3.97Å; F250-L252 HydrophobicContact CE1-CB 3.99Å; F250-T261 HydrophobicContact CE2-CG2 4.12Å; F250-T261 HydrophobicContact CZ-CG2 3.88Å; F250-H263 AromaticContact CD2-CD2 3.48Å; F250-H263 VanDerWaalsContact CD2-CD2 3.48Å; F250-H263 WeakPolarHBondContact CD2-CD2 3.48Å; F250-H263 AromaticContact CD2-CE1 3.77Å; F250-H263 AromaticContact CD2-CG 3.95Å; F250-H263 AromaticContact CD2-NE2 3.34Å; F250-H263 VanDerWaalsContact CD2-NE2 3.34Å; F250-H263 WeakPolarHBondContact CD2-NE2 3.41Å; F250-H263 AromaticContact CE2-CD2 3.95Å; F250-H263 AromaticContact CE2-CE1 3.46Å; F250-H263 VanDerWaalsContact CE2-CE1 3.46Å; F250-H263 WeakPolarHBondContact CE2-CE1 3.16Å; F250-H263 AromaticContact CE2-NE2 3.3Å; F250-H263 VanDerWaalsContact CE2-NE2 3.3Å; F250-H263 WeakPolarHBondContact CE2-NE2 3.29Å
251V93.3Very high88.3Confident0 Ų039.7 Ų39.70%023%0.226CC..EExtended strand (participates in β ladder)trans-121120.7174.2-175.90000109.3I222 I249 T261 A262 V278 I284I222-V251 HydrophobicContact CD1-CG1 4.28Å; I222-V251 HydrophobicContact CG1-CB 4.46Å; I222-V251 HydrophobicContact CG1-CG1 3.94Å; I249-V251 HydrophobicContact CG2-CG2 4.29Å; V251-T261 WeakPolarHBondContact O-CA 2.99Å; V251-A262 HydrophobicContact CB-CB 4.38Å; V251-A262 PolarHBondContact N-O 2.9Å; V251-A262 PolarHBondContact O-N 2.96Å; V251-V278 HydrophobicContact CG1-CG2 3.76Å; V251-V278 HydrophobicContact CG2-CG2 4.47Å; V251-I284 HydrophobicContact CG2-CD1 4.38Å
252L93.7Very high89.3Confident63 Ų6337.7 Ų37.733%0.3322%0.216SC..EExtended strand (participates in β ladder)trans-85.8119.5170.4-178.664000108.6G224 H225 L227 F250 T261G224-L252 CarbonylContact C-O 3.58Å; G224-L252 WeakPolarHBondContact CA-O 3.4Å; H225-L252 PolarHBondContact N-O 3.18Å; H225-L252 PolarHBondContact O-N 2.92Å; L227-L252 HydrophobicContact CD1-CB 4.3Å; L227-L252 HydrophobicContact CG-CB 4.36Å; F250-L252 HydrophobicContact CE1-CB 3.99Å; L252-T261 HydrophobicContact CD1-CG2 3.94Å
253G93.7Very high90Very high4 Ų431.2 Ų31.24%0.04119%0.191CC..EExtended strand (participates in β ladder)trans-63150.4-174.700000113.6D223 W257 F260D223-G253 WeakPolarHBondContact O-CA 3.41Å; G253-W257 CarbonylContact C-O 3.48Å; G253-W257 VanDerWaalsContact CA-O 3.25Å; G253-W257 WeakPolarHBondContact CA-O 3.23Å; G253-F260 WeakPolarHBondContact CA-O 3.27Å; G253-F260 PolarHBondContact N-O 2.78Å
254A92.3Very high90.7Very high20 Ų2029.9 Ų29.917%0.16518%0.18CC..  trans-141.1164178.500000110.8D223 H256 W257D223-A254 PolarHBondContact O-N 2.9Å; A254-H256 PolarHBondContact O-N 3.48Å; A254-W257 PolarHBondContact O-N 2.55Å
255G88.2Confident91.1Very high65 Ų6528 Ų2867%0.6717%0.165SC*.G310 helixtrans61.1-126.2-177.100000111.3W257 T258G255-W257 PolarHBondContact O-N 3.18Å; G255-W257 VanDerWaalsContact O-N 3.14Å; G255-T258 PolarHBondContact O-N 2.02Å
256H86.7Confident91.6Very high143 Ų14328.1 Ų28.166%0.66217%0.165SC*.G310 helixtrans-62-18.8175.8-63.7-72.1000113.5M166 A254M166-H256 WeakPolarHBondContact CE-O 3.23Å; M166-H256 HydrophobicContact SD-CB 4.25Å; A254-H256 PolarHBondContact O-N 3.48Å
257W90.5Very high92Very high2 Ų228.1 Ų28.11%0.00817%0.165CC..G310 helixtrans-9913.6-179.4-63.894.1000113.4M166 T168 I222 G253 A254 G255 D259 F260 L302 M314M166-W257 HydrophobicContact CB-CH2 4.35Å; M166-W257 HydrophobicContact CE-CD2 3.79Å; M166-W257 HydrophobicContact CE-CE3 3.67Å; M166-W257 HydrophobicContact CE-CG 4.43Å; M166-W257 HydrophobicContact CE-CH2 4.2Å; M166-W257 HydrophobicContact CE-CZ2 4.26Å; M166-W257 HydrophobicContact CE-CZ3 3.89Å; M166-W257 VanDerWaalsContact O-CH2 3.23Å; M166-W257 WeakPolarHBondContact O-CH2 3.45Å; T168-W257 HydrophobicContact CG2-CH2 4.2Å; I222-W257 HydrophobicContact CB-CB 4.19Å; I222-W257 HydrophobicContact CB-CD2 3.66Å; I222-W257 HydrophobicContact CB-CE3 3.95Å; I222-W257 HydrophobicContact CB-CG 3.78Å; I222-W257 HydrophobicContact CG2-CD2 3.46Å; I222-W257 VanDerWaalsContact CG2-CD2 3.46Å; I222-W257 HydrophobicContact CG2-CE3 3.26Å; I222-W257 HydrophobicContact CG2-CG 4.13Å; I222-W257 HydrophobicContact CG2-CH2 3.81Å; I222-W257 HydrophobicContact CG2-CZ2 4.01Å; I222-W257 HydrophobicContact CG2-CZ3 3.45Å; I222-W257 VanDerWaalsContact CG2-CZ3 3.45Å; G253-W257 CarbonylContact C-O 3.48Å; G253-W257 VanDerWaalsContact CA-O 3.25Å; G253-W257 WeakPolarHBondContact CA-O 3.23Å; A254-W257 PolarHBondContact O-N 2.55Å; G255-W257 PolarHBondContact O-N 3.18Å; G255-W257 VanDerWaalsContact O-N 3.14Å; W257-D259 PolarHBondContact O-N 2.83Å; W257-F260 HydrophobicContact CB-CB 4.43Å; W257-F260 HydrophobicContact CB-CD2 4.47Å; W257-F260 HydrophobicContact CE3-CB 4.05Å; W257-F260 HydrophobicContact CE3-CD1 4Å; W257-F260 AromaticContact CE3-CD2 3.68Å; W257-F260 HydrophobicContact CE3-CD2 3.68Å; W257-F260 HydrophobicContact CE3-CE1 4.33Å; W257-F260 HydrophobicContact CE3-CE2 4.04Å; W257-F260 AromaticContact CE3-CG 3.64Å; W257-F260 HydrophobicContact CE3-CG 3.64Å; W257-F260 HydrophobicContact CE3-CZ 4.34Å; W257-F260 HydrophobicContact CZ3-CD1 4.1Å; W257-F260 HydrophobicContact CZ3-CD2 4.39Å; W257-F260 HydrophobicContact CZ3-CE1 4.12Å; W257-F260 HydrophobicContact CZ3-CE2 4.42Å; W257-F260 HydrophobicContact CZ3-CG 4.22Å; W257-F260 HydrophobicContact CZ3-CZ 4.28Å; W257-F260 WeakPolarHBondContact O-CB 3.26Å; W257-F260 PolarHBondContact O-N 2.81Å; W257-L302 HydrophobicContact CZ3-CD2 4.29Å; W257-M314 HydrophobicContact CH2-CE 3.56Å; W257-M314 HydrophobicContact CZ3-CE 3.47Å; W257-M314 VanDerWaalsContact CZ3-CE 3.47Å
258T91.3Very high92.1Very high94 Ų9432.4 Ų32.458%0.57718%0.183SC*.THydrogen-bonded Turntrans-55.8-27.7-167.3-152.20000116G255G255-T258 PolarHBondContact O-N 2.02Å
259D92.6Very high91.9Very high67 Ų6734.2 Ų34.236%0.35819%0.191SC..THydrogen-bonded Turntrans-90.7-1.4179.7-79-36.5000113W257 Y304 K305W257-D259 PolarHBondContact O-N 2.83Å; D259-Y304 HydrophobicContact CB-CD2 3.6Å; D259-Y304 HydrophobicContact CB-CE2 3.26Å; D259-Y304 CarbonylContact O-C 3.56Å; D259-Y304 WeakPolarHBondContact O-CA 3.28Å; D259-Y304 PolarHBondContact OD2-OH 3.14Å; D259-K305 HydrophobicContact CB-CG 3.93Å; D259-K305 PolarHBondContact O-N 2.91Å; D259-K305 WeakPolarHBondContact OD2-CE 3.25Å; D259-K305 IonicContact OD2-NZ 3.94Å
260F94.2Very high91.4Very high2 Ų238.3 Ų38.31%0.00922%0.216CC..EExtended strand (participates in β ladder)trans-98.4150.9-174.6-71.6-97.2000112.7M166 I222 G253 W257 L302 R303 Y304 F311 M314 L322M166-F260 HydrophobicContact CE-CD2 4.25Å; M166-F260 HydrophobicContact CE-CE2 3.56Å; M166-F260 HydrophobicContact CE-CZ 4.06Å; I222-F260 HydrophobicContact CD1-CB 4.16Å; G253-F260 WeakPolarHBondContact CA-O 3.27Å; G253-F260 PolarHBondContact N-O 2.78Å; W257-F260 HydrophobicContact CB-CB 4.43Å; W257-F260 HydrophobicContact CB-CD2 4.47Å; W257-F260 HydrophobicContact CE3-CB 4.05Å; W257-F260 HydrophobicContact CE3-CD1 4Å; W257-F260 AromaticContact CE3-CD2 3.68Å; W257-F260 HydrophobicContact CE3-CD2 3.68Å; W257-F260 HydrophobicContact CE3-CE1 4.33Å; W257-F260 HydrophobicContact CE3-CE2 4.04Å; W257-F260 AromaticContact CE3-CG 3.64Å; W257-F260 HydrophobicContact CE3-CG 3.64Å; W257-F260 HydrophobicContact CE3-CZ 4.34Å; W257-F260 HydrophobicContact CZ3-CD1 4.1Å; W257-F260 HydrophobicContact CZ3-CD2 4.39Å; W257-F260 HydrophobicContact CZ3-CE1 4.12Å; W257-F260 HydrophobicContact CZ3-CE2 4.42Å; W257-F260 HydrophobicContact CZ3-CG 4.22Å; W257-F260 HydrophobicContact CZ3-CZ 4.28Å; W257-F260 WeakPolarHBondContact O-CB 3.26Å; W257-F260 PolarHBondContact O-N 2.81Å; F260-L302 HydrophobicContact CB-CD1 4.45Å; F260-L302 HydrophobicContact CD1-CD1 4.07Å; F260-L302 HydrophobicContact CD1-CD2 3.99Å; F260-L302 HydrophobicContact CD1-CG 3.88Å; F260-L302 HydrophobicContact CE1-CD2 4.13Å; F260-L302 HydrophobicContact CE1-CG 4.42Å; F260-R303 CarbonylContact C-O 3.55Å; F260-R303 VanDerWaalsContact CA-O 3.22Å; F260-R303 WeakPolarHBondContact CA-O 3.36Å; F260-Y304 HydrophobicContact CD1-CD2 4.28Å; F260-Y304 AromaticContact CD2-CD2 3.79Å; F260-Y304 HydrophobicContact CD2-CD2 3.79Å; F260-Y304 HydrophobicContact CD2-CE2 4.31Å; F260-Y304 AromaticContact CE1-CD2 3.98Å; F260-Y304 HydrophobicContact CE1-CD2 3.98Å; F260-Y304 HydrophobicContact CE1-CG 4.41Å; F260-Y304 AromaticContact CE2-CD2 3.43Å; F260-Y304 HydrophobicContact CE2-CD2 3.43Å; F260-Y304 VanDerWaalsContact CE2-CD2 3.43Å; F260-Y304 AromaticContact CE2-CE2 3.81Å; F260-Y304 HydrophobicContact CE2-CE2 3.81Å; F260-Y304 HydrophobicContact CG-CD2 4.21Å; F260-Y304 AromaticContact CZ-CD2 3.54Å; F260-Y304 HydrophobicContact CZ-CD2 3.54Å; F260-Y304 HydrophobicContact CZ-CE2 4.2Å; F260-Y304 HydrophobicContact CZ-CG 4.28Å; F260-F311 HydrophobicContact CD1-CE2 4.44Å; F260-F311 HydrophobicContact CD1-CZ 4.45Å; F260-F311 HydrophobicContact CE1-CD1 4.41Å; F260-F311 HydrophobicContact CE1-CD2 4.48Å; F260-F311 AromaticContact CE1-CE1 3.84Å; F260-F311 HydrophobicContact CE1-CE1 3.84Å; F260-F311 AromaticContact CE1-CE2 3.91Å; F260-F311 HydrophobicContact CE1-CE2 3.91Å; F260-F311 AromaticContact CE1-CZ 3.57Å; F260-F311 HydrophobicContact CE1-CZ 3.57Å; F260-F311 HydrophobicContact CZ-CE1 4.26Å; F260-F311 HydrophobicContact CZ-CZ 4.28Å; F260-M314 HydrophobicContact CE1-CE 4.02Å; F260-M314 HydrophobicContact CZ-CE 4.09Å; F260-L322 HydrophobicContact CE2-CD1 4.26Å; F260-L322 HydrophobicContact CZ-CD1 3.59Å
261T94.2Very high90.6Very high22 Ų2237.6 Ų37.614%0.13521%0.213CC..EExtended strand (participates in β ladder)trans-132.2132.8164.962.20000109.5F250 V251 L252 L302 R303F250-T261 HydrophobicContact CE2-CG2 4.12Å; F250-T261 HydrophobicContact CZ-CG2 3.88Å; V251-T261 WeakPolarHBondContact O-CA 2.99Å; L252-T261 HydrophobicContact CD1-CG2 3.94Å; T261-L302 WeakPolarHBondContact O-CA 3.42Å; T261-R303 PolarHBondContact N-O 2.74Å; T261-R303 PolarHBondContact O-N 3.04Å; T261-R303 WeakPolarHBondContact OG1-CB 3.26Å
262A94.3Very high89.6Confident0 Ų045 Ų450%025%0.248CC..EExtended strand (participates in β ladder)trans-109.1127.7174.400000110.6P221 I222 V251 E301 L302P221-A262 HydrophobicContact CG-CB 3.59Å; I222-A262 HydrophobicContact CD1-CB 3.87Å; I222-A262 HydrophobicContact CG1-CB 4.16Å; V251-A262 HydrophobicContact CB-CB 4.38Å; V251-A262 PolarHBondContact N-O 2.9Å; V251-A262 PolarHBondContact O-N 2.96Å; A262-E301 WeakPolarHBondContact CA-O 3.36Å; A262-L302 HydrophobicContact CB-CD1 3.96Å
263H93.6Very high88.4Confident21 Ų2148.1 Ų48.110%0.09726%0.264CS..EExtended strand (participates in β ladder)trans-115.5122.2172.4-54.571.8000108.3F230 I249 F250 Y265 E301F230-H263 HydrophobicContact CE1-CB 3.98Å; F230-H263 HydrophobicContact CE2-CB 4.49Å; F230-H263 HydrophobicContact CZ-CB 3.73Å; I249-H263 WeakPolarHBondContact O-CA 3.1Å; F250-H263 AromaticContact CD2-CD2 3.48Å; F250-H263 VanDerWaalsContact CD2-CD2 3.48Å; F250-H263 WeakPolarHBondContact CD2-CD2 3.48Å; F250-H263 AromaticContact CD2-CE1 3.77Å; F250-H263 AromaticContact CD2-CG 3.95Å; F250-H263 AromaticContact CD2-NE2 3.34Å; F250-H263 VanDerWaalsContact CD2-NE2 3.34Å; F250-H263 WeakPolarHBondContact CD2-NE2 3.41Å; F250-H263 AromaticContact CE2-CD2 3.95Å; F250-H263 AromaticContact CE2-CE1 3.46Å; F250-H263 VanDerWaalsContact CE2-CE1 3.46Å; F250-H263 WeakPolarHBondContact CE2-CE1 3.16Å; F250-H263 AromaticContact CE2-NE2 3.3Å; F250-H263 VanDerWaalsContact CE2-NE2 3.3Å; F250-H263 WeakPolarHBondContact CE2-NE2 3.29Å; H263-Y265 HydrophobicContact CB-CD2 4.43Å; H263-Y265 HydrophobicContact CB-CE2 3.68Å; H263-E301 HydrophobicContact CB-CB 4.19Å; H263-E301 IonicContact CE1-OE1 2.67Å; H263-E301 IonicContact CG-OE1 3.48Å; H263-E301 PolarHBondContact N-O 3.14Å; H263-E301 IonicContact ND1-OE1 3.09Å; H263-E301 PolarHBondContact O-N 2.9Å
264I93.8Very high87Confident0 Ų049.7 Ų49.70%028%0.28CS..EExtended strand (participates in β ladder)trans-116.2114.2179.7-51.2166.8000107.8I218 P221 G248 I249 A267 I284 I298 V300I218-I264 HydrophobicContact CG2-CD1 3.93Å; I218-I264 HydrophobicContact CG2-CG2 4.12Å; P221-I264 HydrophobicContact CG-CD1 4.29Å; G248-I264 CarbonylContact C-O 3.37Å; G248-I264 WeakPolarHBondContact CA-O 3.45Å; I249-I264 HydrophobicContact CB-CB 4.35Å; I249-I264 PolarHBondContact N-O 2.9Å; I249-I264 PolarHBondContact O-N 2.78Å; I264-A267 HydrophobicContact CG2-CB 3.9Å; I264-I284 HydrophobicContact CD1-CD1 3.52Å; I264-I298 HydrophobicContact CG2-CD1 4.31Å; I264-V300 HydrophobicContact CG2-CG2 4.4Å
265Y91.7Very high86Confident9 Ų957.6 Ų57.64%0.03531%0.306CS..EExtended strand (participates in β ladder)trans-95.5156.9-176.6-56.8-104.2000110.3F191 F230 P232 H263 A267 F299 E301F191-Y265 HydrophobicContact CB-CD1 4.13Å; F191-Y265 HydrophobicContact CB-CE1 3.96Å; F191-Y265 HydrophobicContact CB-CG 4.48Å; F191-Y265 AromaticContact CD1-CD1 3.22Å; F191-Y265 HydrophobicContact CD1-CD1 3.22Å; F191-Y265 AromaticContact CD1-CE1 3.71Å; F191-Y265 HydrophobicContact CD1-CE1 3.71Å; F191-Y265 AromaticContact CD1-CG 3.84Å; F191-Y265 HydrophobicContact CD1-CG 3.84Å; F191-Y265 AromaticContact CE1-CD1 3.89Å; F191-Y265 HydrophobicContact CE1-CD1 3.89Å; F191-Y265 HydrophobicContact CE1-CG 4.39Å; F191-Y265 HydrophobicContact CG-CD1 4Å; F191-Y265 HydrophobicContact CG-CE1 4.29Å; F191-Y265 HydrophobicContact CG-CG 4.36Å; F191-Y265 PolarHBondContact O-OH 3.11Å; F230-Y265 AromaticContact CE2-CD1 3.92Å; F230-Y265 HydrophobicContact CE2-CD1 3.92Å; F230-Y265 AromaticContact CE2-CE1 3.4Å; F230-Y265 HydrophobicContact CE2-CE1 3.4Å; F230-Y265 AromaticContact CE2-CZ 3.79Å; F230-Y265 AromaticContact CZ-CD1 3.69Å; F230-Y265 HydrophobicContact CZ-CD1 3.69Å; F230-Y265 HydrophobicContact CZ-CD2 4.22Å; F230-Y265 AromaticContact CZ-CE1 3.49Å; F230-Y265 HydrophobicContact CZ-CE1 3.49Å; F230-Y265 VanDerWaalsContact CZ-CE1 3.49Å; F230-Y265 HydrophobicContact CZ-CE2 4.06Å; F230-Y265 HydrophobicContact CZ-CG 4.07Å; F230-Y265 AromaticContact CZ-CZ 3.68Å; P232-Y265 HydrophobicContact CB-CD1 4.01Å; P232-Y265 HydrophobicContact CB-CE1 3.74Å; P232-Y265 HydrophobicContact CG-CD1 3.33Å; P232-Y265 HydrophobicContact CG-CE1 3.45Å; P232-Y265 VanDerWaalsContact CG-CE1 3.45Å; H263-Y265 HydrophobicContact CB-CD2 4.43Å; H263-Y265 HydrophobicContact CB-CE2 3.68Å; Y265-A267 VanDerWaalsContact C-N 3.25Å; Y265-A267 PolarHBondContact O-N 2.96Å; Y265-F299 HydrophobicContact CD2-CB 4.24Å; Y265-F299 AromaticContact CD2-CD1 3.53Å; Y265-F299 HydrophobicContact CD2-CD1 3.53Å; Y265-F299 HydrophobicContact CD2-CE1 4.43Å; Y265-F299 HydrophobicContact CD2-CG 4.37Å; Y265-F299 WeakPolarHBondContact CD2-O 3.41Å; Y265-F299 AromaticContact CE2-CD1 3.75Å; Y265-F299 HydrophobicContact CE2-CD1 3.75Å; Y265-F299 HydrophobicContact CE2-CE1 4.21Å; Y265-F299 HydrophobicContact CG-CB 4.4Å; Y265-F299 HydrophobicContact CG-CD1 4.2Å; Y265-F299 PolarHBondContact N-O 3.4Å; Y265-F299 PolarHBondContact O-N 2.62Å; Y265-E301 HydrophobicContact CE2-CB 3.82Å; Y265-E301 PolarHBondContact OH-OE2 3.16Å
266N90.9Very high85.8Confident17 Ų1757.5 Ų57.59%0.09129%0.288CS..SBendtrans60.435.9-174.6-160.634.5000112.5D247 L288 S295 K297D247-N266 PolarHBondContact O-N 2.93Å; N266-L288 PolarHBondContact O-N 2.83Å; N266-L288 WeakPolarHBondContact OD1-CB 3.31Å; N266-S295 PolarHBondContact ND2-O 2.78Å; N266-K297 PolarHBondContact ND2-O 3.02Å
267A92.4Very high86Confident0 Ų054.7 Ų54.70%028%0.281CS..EExtended strand (participates in β ladder)trans-137.9140.2-178.300000110.9I218 D247 I249 I264 Y265 K286I218-A267 HydrophobicContact CG1-CB 4.12Å; D247-A267 CarbonylContact C-O 3.5Å; D247-A267 PolarHBondContact O-N 2.9Å; I249-A267 HydrophobicContact CD1-CB 3.83Å; I249-A267 HydrophobicContact CG1-CB 4.14Å; I264-A267 HydrophobicContact CG2-CB 3.9Å; Y265-A267 VanDerWaalsContact C-N 3.25Å; Y265-A267 PolarHBondContact O-N 2.96Å; A267-K286 WeakPolarHBondContact CA-O 3.11Å
268K90.6Very high85.9Confident114 Ų11454.6 Ų54.650%0.49628%0.281SS..EExtended strand (participates in β ladder)trans-110.9127.6175.9-174174.4180177.80109.6G285 K286 L288K268-G285 CarbonylContact O-C 3.55Å; K268-G285 WeakPolarHBondContact O-CA 3.17Å; K268-K286 PolarHBondContact N-O 3.39Å; K268-K286 PolarHBondContact O-N 2.87Å; K268-L288 HydrophobicContact CB-CD2 3.63Å; K268-L288 HydrophobicContact CB-CG 4.05Å; K268-L288 HydrophobicContact CD-CD2 4.31Å; K268-L288 HydrophobicContact CG-CD2 4.48Å
269F87.9Confident85.8Confident38 Ų3855.2 Ų55.217%0.16727%0.273CS..EExtended strand (participates in β ladder)trans-66.8148.8176.170.3-84.7000111.4F226 R229 I249 I271 L273 I284F226-F269 HydrophobicContact CE1-CB 4.44Å; F226-F269 HydrophobicContact CE1-CD2 4.12Å; F226-F269 HydrophobicContact CE1-CG 4.38Å; F226-F269 HydrophobicContact CE2-CB 3.7Å; F226-F269 HydrophobicContact CE2-CG 4.28Å; F226-F269 HydrophobicContact CZ-CB 3.38Å; F226-F269 HydrophobicContact CZ-CD1 4.22Å; F226-F269 AromaticContact CZ-CD2 3.7Å; F226-F269 HydrophobicContact CZ-CD2 3.7Å; F226-F269 AromaticContact CZ-CG 3.51Å; F226-F269 HydrophobicContact CZ-CG 3.51Å; R229-F269 HydrophobicContact CB-CD1 3.92Å; R229-F269 HydrophobicContact CB-CE1 3.74Å; R229-F269 HydrophobicContact CG-CE1 4.18Å; I249-F269 HydrophobicContact CD1-CB 4.25Å; I249-F269 HydrophobicContact CG1-CB 4.08Å; F269-I271 WeakPolarHBondContact CD2-O 3.44Å; F269-I271 WeakPolarHBondContact CE2-O 3.44Å; F269-L273 HydrophobicContact CE1-CD2 4.35Å; F269-L273 HydrophobicContact CE2-CD2 3.78Å; F269-L273 HydrophobicContact CE2-CG 3.93Å; F269-L273 HydrophobicContact CZ-CD1 4.44Å; F269-L273 HydrophobicContact CZ-CD2 3.57Å; F269-L273 HydrophobicContact CZ-CG 3.95Å; F269-I284 VanDerWaalsContact CA-O 3.28Å; F269-I284 WeakPolarHBondContact CA-O 3.03Å
270T82.5Confident85.7Confident85 Ų8552 Ų5252%0.52126%0.256SS..  trans-118.8-0.6175.752.40000112.9I284 K286T270-I284 PolarHBondContact N-O 2.99Å; T270-I284 VanDerWaalsContact N-O 3.12Å; T270-K286 HydrophobicContact CG2-CG 4.23Å
271I74.6Confident85.3Confident23 Ų2352.4 Ų52.412%0.11826%0.26CS..SBendtrans-86.6150.6179.2-60.7179.2000109.4F269 Q276 V278 I284F269-I271 WeakPolarHBondContact CD2-O 3.44Å; F269-I271 WeakPolarHBondContact CE2-O 3.44Å; I271-Q276 HydrophobicContact CG2-CB 4.47Å; I271-Q276 VanDerWaalsContact CG2-CD 3.43Å; I271-Q276 HydrophobicContact CG2-CG 4.33Å; I271-V278 HydrophobicContact CD1-CG1 3.98Å; I271-I284 HydrophobicContact CD1-CB 4.17Å; I271-I284 HydrophobicContact CD1-CG2 3.89Å
272E72.5Confident85Confident157 Ų15755 Ų5573%0.73427%0.271SS*.PPolyproline II helixtrans-60.1144.4174.5-65.1178.9169.300111.7G274 Q276E272-G274 PolarHBondContact O-N 2.8Å; E272-Q276 PolarHBondContact O-NE2 2.92Å
273L67.2Low84.8Confident127 Ų12758.5 Ų58.567%0.66529%0.289SS*.SBendtrans-64.9131.5177.9-73.1167.2000110.4F269F269-L273 HydrophobicContact CE1-CD2 4.35Å; F269-L273 HydrophobicContact CE2-CD2 3.78Å; F269-L273 HydrophobicContact CE2-CG 3.93Å; F269-L273 HydrophobicContact CZ-CD1 4.44Å; F269-L273 HydrophobicContact CZ-CD2 3.57Å; F269-L273 HydrophobicContact CZ-CG 3.95Å
274G64.9Low84.8Confident37 Ų3757.5 Ų57.538%0.38128%0.284SS..SBendtrans145.8165.7-179.500000111F226 E272 Q276F226-G274 VanDerWaalsContact O-O 3.07Å; E272-G274 PolarHBondContact O-N 2.8Å; G274-Q276 VanDerWaalsContact C-N 3.3Å; G274-Q276 PolarHBondContact O-N 2.02Å
275R71Confident84.7Confident186 Ų18657.5 Ų57.570%0.70228%0.284SS*.  trans-71.987.2177.2-171.5178.6176.3174.2-1.5109.4H225 L227H225-R275 HydrophobicContact CB-CG 4.02Å; H225-R275 PolarHBondContact CD2-NH2 2.89Å; H225-R275 PolarHBondContact NE2-NH2 3.07Å; L227-R275 HydrophobicContact CD2-CG 4.44Å
276Q84.5Confident84.8Confident64 Ų6461.2 Ų61.230%0.29930%0.3SS..EExtended strand (participates in β ladder)trans-101133.9177.3-60.4-1607.800110.2H225 F226 I271 E272 G274 V278H225-Q276 CarbonylContact C-O 3.5Å; H225-Q276 VanDerWaalsContact CA-O 3.31Å; H225-Q276 WeakPolarHBondContact CA-O 3.41Å; F226-Q276 PolarHBondContact N-O 2.81Å; I271-Q276 HydrophobicContact CG2-CB 4.47Å; I271-Q276 VanDerWaalsContact CG2-CD 3.43Å; I271-Q276 HydrophobicContact CG2-CG 4.33Å; E272-Q276 PolarHBondContact O-NE2 2.92Å; G274-Q276 VanDerWaalsContact C-N 3.3Å; G274-Q276 PolarHBondContact O-N 2.02Å; Q276-V278 PolarHBondContact O-N 3.43Å
277T90.3Very high84.9Confident83 Ų8360.8 Ų60.851%0.50930%0.297SS..EExtended strand (participates in β ladder)trans-69.3124.8170-56.30000108.6G224G224-T277 CarbonylContact O-C 3.42Å; G224-T277 WeakPolarHBondContact O-CA 3.37Å
278V89.9Confident84.9Confident0 Ų061.4 Ų61.40%030%0.3CS..EExtended strand (participates in β ladder)trans-113.7140.9174.4-65.60000109.3G224 F226 V251 I271 Q276 I284G224-V278 PolarHBondContact N-O 3.23Å; G224-V278 PolarHBondContact O-N 2.7Å; F226-V278 HydrophobicContact CB-CG1 3.8Å; V251-V278 HydrophobicContact CG1-CG2 3.76Å; V251-V278 HydrophobicContact CG2-CG2 4.47Å; I271-V278 HydrophobicContact CD1-CG1 3.98Å; Q276-V278 PolarHBondContact O-N 3.43Å; V278-I284 HydrophobicContact CB-CG2 4.3Å; V278-I284 HydrophobicContact CG1-CG2 4.02Å
279R89Confident84.8Confident108 Ų10860.5 Ų60.541%0.40830%0.301SS..  trans-93.6146.4171.1-62-60.7-177.2174.41.4110.4S14 S220 D223 G281 Q282S14-R279 PolarHBondContact OG-NE 3.47Å; S14-R279 VanDerWaalsContact OG-NE 3.14Å; S14-R279 PolarHBondContact OG-NH2 2.99Å; S220-R279 WeakPolarHBondContact CB-O 3.11Å; D223-R279 WeakPolarHBondContact OD1-CA 3.12Å; D223-R279 WeakPolarHBondContact OD1-CD 3.42Å; R279-G281 PolarHBondContact O-N 3.1Å; R279-Q282 HydrophobicContact CB-CB 4.49Å; R279-Q282 WeakPolarHBondContact O-CB 3.39Å; R279-Q282 PolarHBondContact O-N 2.85Å
280Q88.7Confident84.7Confident0 Ų058.8 Ų58.80%029%0.294CS..THydrogen-bonded Turntrans-48.9135.6166.9179.3170.155.100109.8H17 C167 T168 S220 P221 I222 D223 Q282H17-Q280 HydrophobicContact CB-CG 4.31Å; H17-Q280 PolarHBondContact CD2-O 2.86Å; H17-Q280 PolarHBondContact O-OE1 2.88Å; C167-Q280 PolarHBondContact O-NE2 3.29Å; T168-Q280 VanDerWaalsContact C-NE2 3.31Å; T168-Q280 VanDerWaalsContact CA-NE2 3.28Å; T168-Q280 PolarHBondContact O-NE2 2.72Å; S220-Q280 CarbonylContact O-C 3.53Å; S220-Q280 WeakPolarHBondContact O-CA 3.48Å; P221-Q280 PolarHBondContact O-NE2 2.85Å; I222-Q280 PolarHBondContact O-N 2.77Å; D223-Q280 PolarHBondContact OD1-N 3.3Å; Q280-Q282 PolarHBondContact O-N 2.81Å
281G87.1Confident84.7Confident10 Ų1062.9 Ų62.910%0.10331%0.311CS..THydrogen-bonded Turntrans80.5-10.2-177.800000116.5Y219 S220 R279Y219-G281 WeakPolarHBondContact CD1-O 3.43Å; S220-G281 PolarHBondContact O-N 3.04Å; R279-G281 PolarHBondContact O-N 3.1Å
282Q88.3Confident84.7Confident76 Ų7665.8 Ų65.836%0.35533%0.327SS..SBendtrans-69.2143.2174.1-175179.1-14.900110.5Y219 S220 R279 Q280 I284Y219-Q282 CarbonylContact C-O 3.49Å; Y219-Q282 VanDerWaalsContact CA-O 3.25Å; Y219-Q282 WeakPolarHBondContact CA-O 3.38Å; S220-Q282 PolarHBondContact N-O 2.98Å; R279-Q282 HydrophobicContact CB-CB 4.49Å; R279-Q282 WeakPolarHBondContact O-CB 3.39Å; R279-Q282 PolarHBondContact O-N 2.85Å; Q280-Q282 PolarHBondContact O-N 2.81Å; Q282-I284 PolarHBondContact O-N 2.96Å
283I90.2Very high85Confident74 Ų7461.7 Ų61.738%0.37931%0.313SS..EExtended strand (participates in β ladder)trans-65.7119.4172.8-60.9170.2000109.1N217 Y219N217-I283 HydrophobicContact CB-CD1 4.45Å; N217-I283 HydrophobicContact CB-CG1 4.31Å; N217-I283 HydrophobicContact CB-CG2 4.18Å; Y219-I283 HydrophobicContact CD1-CG1 3.81Å; Y219-I283 HydrophobicContact CE1-CD1 4.36Å; Y219-I283 HydrophobicContact CE1-CG1 3.54Å
284I92Very high85.6Confident0 Ų060.7 Ų60.70%031%0.314CS..EExtended strand (participates in β ladder)trans-111.3-16.9178.654.3169.9000113I218 I249 V251 I264 F269 T270 I271 V278 Q282I218-I284 HydrophobicContact CG2-CD1 4.19Å; I218-I284 HydrophobicContact CG2-CG1 4.1Å; I218-I284 VanDerWaalsContact O-CG1 3.32Å; I218-I284 WeakPolarHBondContact O-CG1 3.23Å; I218-I284 PolarHBondContact O-N 3.05Å; I249-I284 HydrophobicContact CD1-CD1 4.33Å; I249-I284 HydrophobicContact CD1-CG1 4.28Å; I249-I284 HydrophobicContact CG2-CD1 3.83Å; V251-I284 HydrophobicContact CG2-CD1 4.38Å; I264-I284 HydrophobicContact CD1-CD1 3.52Å; F269-I284 VanDerWaalsContact CA-O 3.28Å; F269-I284 WeakPolarHBondContact CA-O 3.03Å; T270-I284 PolarHBondContact N-O 2.99Å; T270-I284 VanDerWaalsContact N-O 3.12Å; I271-I284 HydrophobicContact CD1-CB 4.17Å; I271-I284 HydrophobicContact CD1-CG2 3.89Å; V278-I284 HydrophobicContact CB-CG2 4.3Å; V278-I284 HydrophobicContact CG1-CG2 4.02Å; Q282-I284 PolarHBondContact O-N 2.96Å
285G92.7Very high86.6Confident0 Ų060.5 Ų60.50%031%0.307CS..EExtended strand (participates in β ladder)trans-178.1-162.5-178.700000114.4I218 K268I218-G285 PolarHBondContact N-O 3.31Å; I218-G285 PolarHBondContact O-N 2.9Å; K268-G285 CarbonylContact O-C 3.55Å; K268-G285 WeakPolarHBondContact O-CA 3.17Å
286K93.7Very high87.6Confident86 Ų8654.8 Ų54.837%0.37429%0.29SS..EExtended strand (participates in β ladder)trans-132.4152.1173.8-66.9-171.8176.4-176.10110.6P216 N217 A267 K268 T270 L288P216-K286 WeakPolarHBondContact O-CA 3.36Å; N217-K286 WeakPolarHBondContact OD1-CE 3.27Å; A267-K286 WeakPolarHBondContact CA-O 3.11Å; K268-K286 PolarHBondContact N-O 3.39Å; K268-K286 PolarHBondContact O-N 2.87Å; T270-K286 HydrophobicContact CG2-CG 4.23Å; K286-L288 PolarHBondContact O-N 2.86Å
287R93.9Very high88.1Confident9 Ų954.2 Ų54.23%0.03429%0.287CS..EExtended strand (participates in β ladder)trans-59.4137.6168.9-174.6-175.764.178.31.9109.1C199 N201 P216 I218 S295 I298C199-R287 WeakPolarHBondContact O-CD 3.36Å; C199-R287 PolarHBondContact O-NE 2.75Å; N201-R287 PolarHBondContact OD1-NH2 3.1Å; P216-R287 HydrophobicContact CG-CB 3.8Å; P216-R287 PolarHBondContact O-N 2.97Å; P216-R287 VanDerWaalsContact O-N 3.12Å; I218-R287 HydrophobicContact CD1-CB 4.34Å; R287-S295 PolarHBondContact NH1-O 2.95Å; R287-I298 HydrophobicContact CB-CG2 4.45Å; R287-I298 HydrophobicContact CG-CG2 3.98Å
288L91.9Very high88.2Confident12 Ų1250.4 Ų50.46%0.06326%0.263CS..  trans-71.5148.1175.9-79.5165.3000112C244 D247 N266 K268 K286C244-L288 WeakPolarHBondContact O-CD1 3.28Å; D247-L288 HydrophobicContact CB-CD1 3.7Å; N266-L288 PolarHBondContact O-N 2.83Å; N266-L288 WeakPolarHBondContact OD1-CB 3.31Å; K268-L288 HydrophobicContact CB-CD2 3.63Å; K268-L288 HydrophobicContact CB-CG 4.05Å; K268-L288 HydrophobicContact CD-CD2 4.31Å; K268-L288 HydrophobicContact CG-CD2 4.48Å; K286-L288 PolarHBondContact O-N 2.86Å
289N88.8Confident88.3Confident95 Ų9550.6 Ų50.651%0.50826%0.264SS..  trans-123.184172.4-167.429000109.4L215L215-N289 HydrophobicContact CD1-CB 3.85Å; L215-N289 HydrophobicContact CD2-CB 3.67Å; L215-N289 HydrophobicContact CG-CB 4.36Å
290C84.8Confident88.6Confident2 Ų245.6 Ų45.61%0.01425%0.245CC..  trans-98.1125.1-172.6-60.10000109.8C244 S245 D292 V293 P294C244-C290 HydrophobicContact CB-CB 3.65Å; C244-C290 WeakPolarHBondContact CB-SG 3.41Å; C244-C290 PolarHBondContact O-SG 2.86Å; C244-C290 VanDerWaalsContact O-SG 3.38Å; C244-C290 WeakPolarHBondContact SG-CA 3.5Å; C244-C290 WeakPolarHBondContact SG-CB 3.3Å; C244-C290 CovalentContact SG-SG 2.04Å; C244-C290 PolarHBondContact SG-SG 2.79Å; S245-C290 PolarHBondContact N-SG 2.85Å; C290-D292 VanDerWaalsContact C-N 3.26Å; C290-D292 VanDerWaalsContact CB-OD1 3.25Å; C290-D292 WeakPolarHBondContact CB-OD1 3.47Å; C290-D292 PolarHBondContact O-N 2.91Å; C290-V293 CarbonylContact O-C 3.5Å; C290-V293 PolarHBondContact O-N 2.84Å; C290-P294 WeakPolarHBondContact O-CA 3.49Å; C290-P294 VanDerWaalsContact O-N 3.17Å
291L81.9Confident88.8Confident171 Ų17145.6 Ų45.690%0.89525%0.245SC*.SBendtrans-66.9-29.7179.4-67.3174.2000112.1V293L291-V293 VanDerWaalsContact C-N 3.34Å
292D76.2Confident89.1Confident84 Ų8445.3 Ų45.345%0.44924%0.242SC..SBendtrans-68.8-32.2177.654.4-56.1000112.6S245 C290S245-D292 VanDerWaalsContact CB-OD2 3.31Å; S245-D292 WeakPolarHBondContact CB-OD2 3.25Å; S245-D292 PolarHBondContact OG-OD2 3.32Å; C290-D292 VanDerWaalsContact C-N 3.26Å; C290-D292 VanDerWaalsContact CB-OD1 3.25Å; C290-D292 WeakPolarHBondContact CB-OD1 3.47Å; C290-D292 PolarHBondContact O-N 2.91Å
293V76.9Confident89.3Confident71 Ų7144.8 Ų44.843%0.4324%0.236SC..SBendtrans-14678.7-179.6-168.90000109.3C290 L291 S295C290-V293 CarbonylContact O-C 3.5Å; C290-V293 PolarHBondContact O-N 2.84Å; L291-V293 VanDerWaalsContact C-N 3.34Å; V293-S295 PolarHBondContact O-N 2.86Å; V293-S295 VanDerWaalsContact O-N 3.14Å
294P80.9Confident89.5Confident106 Ų10643 Ų4369%0.68823%0.225SC*.  trans-64.1118.5176.425.5-32.5000109.1C290C290-P294 WeakPolarHBondContact O-CA 3.49Å; C290-P294 VanDerWaalsContact O-N 3.17Å
295S86.8Confident89.5Confident34 Ų3449 Ų4924%0.23825%0.251CS..  trans-143.8123.1179.2179.10000110.3N266 R287 V293 K297N266-S295 PolarHBondContact ND2-O 2.78Å; R287-S295 PolarHBondContact NH1-O 2.95Å; V293-S295 PolarHBondContact O-N 2.86Å; V293-S295 VanDerWaalsContact O-N 3.14Å; S295-K297 PolarHBondContact O-N 2.89Å; S295-K297 PolarHBondContact OG-N 2.86Å
296D92.2Very high89.3Confident66 Ų6651.5 Ų51.535%0.35328%0.276SS..SBendtrans-81.824.2173.266.2-17000112.5H198 C199H198-D296 IonicContact CE1-OD2 3.95Å; H198-D296 PolarHBondContact CE1-OD2 2.86Å; H198-D296 IonicContact ND1-OD2 3.72Å; H198-D296 PolarHBondContact ND1-OD2 3.1Å; C199-D296 CarbonylContact C-O 3.58Å; C199-D296 VanDerWaalsContact CA-O 3.28Å; C199-D296 WeakPolarHBondContact CA-O 3.47Å; C199-D296 PolarHBondContact N-O 2.8Å
297K93Very high89.1Confident52 Ų5254.4 Ų54.423%0.22629%0.289CS..EExtended strand (participates in β ladder)trans-130.8158.6-173.1-42.8-177.4-171.9-169.50110.9S181 E196 I197 N266 S295S181-K297 VanDerWaalsContact OG-CD 3.31Å; S181-K297 WeakPolarHBondContact OG-CD 3.43Å; S181-K297 WeakPolarHBondContact OG-CE 3.26Å; S181-K297 PolarHBondContact OG-NZ 2.87Å; E196-K297 HydrophobicContact CG-CB 3.94Å; E196-K297 HydrophobicContact CG-CD 3.68Å; E196-K297 HydrophobicContact CG-CG 4.44Å; E196-K297 WeakPolarHBondContact OE2-CD 3.13Å; E196-K297 IonicContact OE2-NZ 2.76Å; E196-K297 PolarHBondContact OE2-NZ 3.29Å; I197-K297 WeakPolarHBondContact O-CA 2.97Å; N266-K297 PolarHBondContact ND2-O 3.02Å; S295-K297 PolarHBondContact O-N 2.89Å; S295-K297 PolarHBondContact OG-N 2.86Å
298I93.2Very high88.9Confident2 Ų258.1 Ų58.11%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-121.8155166.361.5175.5000108.7I171 C172 E196 I197 C199 I218 I264 R287 V300I171-I298 HydrophobicContact CG2-CD1 3.76Å; C172-I298 HydrophobicContact CB-CD1 4.14Å; E196-I298 CarbonylContact C-O 3.44Å; E196-I298 WeakPolarHBondContact CA-O 3.46Å; I197-I298 HydrophobicContact CB-CG1 3.96Å; I197-I298 PolarHBondContact N-O 2.94Å; I197-I298 PolarHBondContact O-N 2.83Å; C199-I298 HydrophobicContact CB-CG1 4.35Å; C199-I298 HydrophobicContact CB-CG2 4.18Å; I218-I298 HydrophobicContact CD1-CD1 4.05Å; I218-I298 HydrophobicContact CD1-CG2 4.08Å; I264-I298 HydrophobicContact CG2-CD1 4.31Å; R287-I298 HydrophobicContact CB-CG2 4.45Å; R287-I298 HydrophobicContact CG-CG2 3.98Å; I298-V300 HydrophobicContact CD1-CG2 4.08Å; I298-V300 HydrophobicContact CG1-CG2 4.35Å
299F93Very high88.6Confident5 Ų559.3 Ų59.32%0.02231%0.312CS..EExtended strand (participates in β ladder)trans-109.7134.3168.7-173.5-96.8000108.5E186 K188 F191 G194 W195 E196 Y265 E301E186-F299 HydrophobicContact CG-CE2 4.36Å; K188-F299 HydrophobicContact CB-CE2 4.11Å; K188-F299 HydrophobicContact CB-CZ 4.19Å; K188-F299 HydrophobicContact CD-CD2 4.49Å; K188-F299 HydrophobicContact CD-CE2 4.5Å; K188-F299 HydrophobicContact CG-CD2 4.17Å; K188-F299 HydrophobicContact CG-CE2 3.72Å; K188-F299 HydrophobicContact CG-CZ 4.28Å; F191-F299 HydrophobicContact CB-CD1 3.7Å; F191-F299 HydrophobicContact CB-CE1 3.71Å; F191-F299 HydrophobicContact CB-CG 4.39Å; F191-F299 HydrophobicContact CB-CZ 4.41Å; F191-F299 HydrophobicContact CG-CD1 4.31Å; G194-F299 VanDerWaalsContact C-CE2 3.49Å; G194-F299 VanDerWaalsContact N-CZ 3.26Å; W195-F299 CarbonylContact O-C 3.56Å; W195-F299 WeakPolarHBondContact O-CA 3.29Å; E196-F299 HydrophobicContact CB-CD2 4.26Å; Y265-F299 HydrophobicContact CD2-CB 4.24Å; Y265-F299 AromaticContact CD2-CD1 3.53Å; Y265-F299 HydrophobicContact CD2-CD1 3.53Å; Y265-F299 HydrophobicContact CD2-CE1 4.43Å; Y265-F299 HydrophobicContact CD2-CG 4.37Å; Y265-F299 WeakPolarHBondContact CD2-O 3.41Å; Y265-F299 AromaticContact CE2-CD1 3.75Å; Y265-F299 HydrophobicContact CE2-CD1 3.75Å; Y265-F299 HydrophobicContact CE2-CE1 4.21Å; Y265-F299 HydrophobicContact CG-CB 4.4Å; Y265-F299 HydrophobicContact CG-CD1 4.2Å; Y265-F299 PolarHBondContact N-O 3.4Å; Y265-F299 PolarHBondContact O-N 2.62Å; F299-E301 HydrophobicContact CE1-CB 4.35Å
300V94.3Very high88.7Confident2 Ų258.4 Ų58.41%0.01231%0.307CS..EExtended strand (participates in β ladder)trans-120.4130.9-179.8179.90000108.4I171 G194 W195 I197 I264 I298 L315I171-V300 HydrophobicContact CD1-CG1 4.03Å; I171-V300 HydrophobicContact CD1-CG2 4.04Å; I171-V300 HydrophobicContact CG2-CG2 4.12Å; G194-V300 CarbonylContact C-O 3.59Å; G194-V300 VanDerWaalsContact CA-O 3.25Å; G194-V300 WeakPolarHBondContact CA-O 3.06Å; W195-V300 PolarHBondContact N-O 3.36Å; W195-V300 PolarHBondContact O-N 2.64Å; I197-V300 HydrophobicContact CD1-CB 4.24Å; I197-V300 HydrophobicContact CD1-CG2 3.69Å; I264-V300 HydrophobicContact CG2-CG2 4.4Å; I298-V300 HydrophobicContact CD1-CG2 4.08Å; I298-V300 HydrophobicContact CG1-CG2 4.35Å; V300-L315 HydrophobicContact CG1-CD1 4.39Å
301E93.7Very high88.9Confident0 Ų058.5 Ų58.50%031%0.307CS..EExtended strand (participates in β ladder)trans-124.1127.4174.7173-169.7131.600108.7A262 H263 Y265 F299 R303 F308A262-E301 WeakPolarHBondContact CA-O 3.36Å; H263-E301 HydrophobicContact CB-CB 4.19Å; H263-E301 IonicContact CE1-OE1 2.67Å; H263-E301 IonicContact CG-OE1 3.48Å; H263-E301 PolarHBondContact N-O 3.14Å; H263-E301 IonicContact ND1-OE1 3.09Å; H263-E301 PolarHBondContact O-N 2.9Å; Y265-E301 HydrophobicContact CE2-CB 3.82Å; Y265-E301 PolarHBondContact OH-OE2 3.16Å; F299-E301 HydrophobicContact CE1-CB 4.35Å; E301-R303 HydrophobicContact CG-CG 4.33Å; E301-R303 IonicContact OE1-CZ 2.71Å; E301-R303 IonicContact OE1-NE 2.68Å; E301-R303 PolarHBondContact OE1-NE 3.15Å; E301-R303 IonicContact OE1-NH2 3.64Å; E301-R303 PolarHBondContact OE1-NH2 3.18Å; E301-R303 IonicContact OE2-NH2 3.03Å; E301-F308 VanDerWaalsContact CD-CE1 3.42Å; E301-F308 HydrophobicContact CG-CD1 4.13Å; E301-F308 HydrophobicContact CG-CE1 3.95Å; E301-F308 WeakPolarHBondContact OE1-CE1 3.23Å
302L93.2Very high89.2Confident4 Ų451.1 Ų51.12%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-119.5124.3176.5-169.169.7000107.9T168 W195 I222 W257 F260 T261 A262 F311 M314T168-L302 HydrophobicContact CG2-CD2 4.43Å; W195-L302 HydrophobicContact CZ3-CB 3.99Å; I222-L302 HydrophobicContact CD1-CD1 4.46Å; I222-L302 HydrophobicContact CG2-CD1 4.12Å; W257-L302 HydrophobicContact CZ3-CD2 4.29Å; F260-L302 HydrophobicContact CB-CD1 4.45Å; F260-L302 HydrophobicContact CD1-CD1 4.07Å; F260-L302 HydrophobicContact CD1-CD2 3.99Å; F260-L302 HydrophobicContact CD1-CG 3.88Å; F260-L302 HydrophobicContact CE1-CD2 4.13Å; F260-L302 HydrophobicContact CE1-CG 4.42Å; T261-L302 WeakPolarHBondContact O-CA 3.42Å; A262-L302 HydrophobicContact CB-CD1 3.96Å; L302-F311 HydrophobicContact CB-CD2 3.98Å; L302-F311 HydrophobicContact CD2-CB 3.99Å; L302-F311 HydrophobicContact CD2-CD2 3.66Å; L302-F311 HydrophobicContact CD2-CE2 4.33Å; L302-F311 HydrophobicContact CD2-CG 3.92Å; L302-F311 HydrophobicContact CG-CD2 3.9Å; L302-F311 HydrophobicContact CG-CE2 4.29Å; L302-M314 HydrophobicContact CD2-CE 4.32Å
303R92.8Very high89.7Confident65 Ų6550.7 Ų50.725%0.24527%0.266CS..EExtended strand (participates in β ladder)trans-112.3150.1174.9-53.7-174.6-177.1174.89.6109.9F260 T261 E301 K307 F308F260-R303 CarbonylContact C-O 3.55Å; F260-R303 VanDerWaalsContact CA-O 3.22Å; F260-R303 WeakPolarHBondContact CA-O 3.36Å; T261-R303 PolarHBondContact N-O 2.74Å; T261-R303 PolarHBondContact O-N 3.04Å; T261-R303 WeakPolarHBondContact OG1-CB 3.26Å; E301-R303 HydrophobicContact CG-CG 4.33Å; E301-R303 IonicContact OE1-CZ 2.71Å; E301-R303 IonicContact OE1-NE 2.68Å; E301-R303 PolarHBondContact OE1-NE 3.15Å; E301-R303 IonicContact OE1-NH2 3.64Å; E301-R303 PolarHBondContact OE1-NH2 3.18Å; E301-R303 IonicContact OE2-NH2 3.03Å; R303-K307 VanDerWaalsContact CA-O 3.23Å; R303-K307 WeakPolarHBondContact CA-O 3.32Å; R303-K307 WeakPolarHBondContact CB-O 3.28Å; R303-F308 HydrophobicContact CG-CD1 4.44Å; R303-F308 VanDerWaalsContact NH2-CZ 3.35Å
304Y92.6Very high90.2Very high37 Ų3747.4 Ų47.415%0.14525%0.247CC..EExtended strand (participates in β ladder)trans-121.8124.7169.8176.7-104.6000108.6D259 F260 G306 K307 M309 F311 F325D259-Y304 HydrophobicContact CB-CD2 3.6Å; D259-Y304 HydrophobicContact CB-CE2 3.26Å; D259-Y304 CarbonylContact O-C 3.56Å; D259-Y304 WeakPolarHBondContact O-CA 3.28Å; D259-Y304 PolarHBondContact OD2-OH 3.14Å; F260-Y304 HydrophobicContact CD1-CD2 4.28Å; F260-Y304 AromaticContact CD2-CD2 3.79Å; F260-Y304 HydrophobicContact CD2-CD2 3.79Å; F260-Y304 HydrophobicContact CD2-CE2 4.31Å; F260-Y304 AromaticContact CE1-CD2 3.98Å; F260-Y304 HydrophobicContact CE1-CD2 3.98Å; F260-Y304 HydrophobicContact CE1-CG 4.41Å; F260-Y304 AromaticContact CE2-CD2 3.43Å; F260-Y304 HydrophobicContact CE2-CD2 3.43Å; F260-Y304 VanDerWaalsContact CE2-CD2 3.43Å; F260-Y304 AromaticContact CE2-CE2 3.81Å; F260-Y304 HydrophobicContact CE2-CE2 3.81Å; F260-Y304 HydrophobicContact CG-CD2 4.21Å; F260-Y304 AromaticContact CZ-CD2 3.54Å; F260-Y304 HydrophobicContact CZ-CD2 3.54Å; F260-Y304 HydrophobicContact CZ-CE2 4.2Å; F260-Y304 HydrophobicContact CZ-CG 4.28Å; Y304-G306 PolarHBondContact O-N 2.9Å; Y304-K307 PolarHBondContact N-O 3.42Å; Y304-K307 VanDerWaalsContact N-O 3.08Å; Y304-K307 PolarHBondContact O-N 3.27Å; Y304-M309 HydrophobicContact CD1-SD 3.98Å; Y304-M309 HydrophobicContact CG-SD 4.38Å; Y304-F311 HydrophobicContact CG-CZ 4.45Å; Y304-F325 AromaticContact CD1-CD2 3.72Å; Y304-F325 HydrophobicContact CD1-CD2 3.72Å; Y304-F325 AromaticContact CD1-CE2 3.86Å; Y304-F325 HydrophobicContact CD1-CE2 3.86Å; Y304-F325 AromaticContact CE1-CD2 3.75Å; Y304-F325 HydrophobicContact CE1-CD2 3.75Å; Y304-F325 HydrophobicContact CE1-CE2 4.26Å; Y304-F325 HydrophobicContact CG-CE2 4.31Å
305K92.2Very high90.6Very high127 Ų12742.5 Ų42.555%0.55222%0.215SC*.THydrogen-bonded Turntrans49.640.5-173.3-61.1-179174168.30112.5D259 K307D259-K305 HydrophobicContact CB-CG 3.93Å; D259-K305 PolarHBondContact O-N 2.91Å; D259-K305 WeakPolarHBondContact OD2-CE 3.25Å; D259-K305 IonicContact OD2-NZ 3.94Å; K305-K307 PolarHBondContact O-N 3.24Å
306G89.7Confident90.5Very high51 Ų5142.7 Ų42.753%0.52621%0.213SC..THydrogen-bonded Turntrans74.3-1.2-179.100000116Y304Y304-G306 PolarHBondContact O-N 2.9Å
307K89.9Confident89.9Confident147 Ų14739.7 Ų39.764%0.63920%0.197SC*.EExtended strand (participates in β ladder)trans-96.2142.1-180-62.1-179.4-178.5177.90111.7R303 Y304 K305 M309R303-K307 VanDerWaalsContact CA-O 3.23Å; R303-K307 WeakPolarHBondContact CA-O 3.32Å; R303-K307 WeakPolarHBondContact CB-O 3.28Å; Y304-K307 PolarHBondContact N-O 3.42Å; Y304-K307 VanDerWaalsContact N-O 3.08Å; Y304-K307 PolarHBondContact O-N 3.27Å; K305-K307 PolarHBondContact O-N 3.24Å; K307-M309 HydrophobicContact CB-CG 4.43Å; K307-M309 PolarHBondContact O-N 3.45Å
308F88.3Confident89.2Confident88 Ų8840.5 Ų40.539%0.38620%0.204SC..EExtended strand (participates in β ladder)trans-71.4123.7170.8-62.2-83.5000110.2Y185 K193 E301 R303Y185-F308 VanDerWaalsContact OH-C 3.29Å; K193-F308 HydrophobicContact CB-CB 4.23Å; K193-F308 HydrophobicContact CB-CD1 3.73Å; K193-F308 HydrophobicContact CB-CE1 4.27Å; K193-F308 HydrophobicContact CB-CG 4.07Å; E301-F308 VanDerWaalsContact CD-CE1 3.42Å; E301-F308 HydrophobicContact CG-CD1 4.13Å; E301-F308 HydrophobicContact CG-CE1 3.95Å; E301-F308 WeakPolarHBondContact OE1-CE1 3.23Å; R303-F308 HydrophobicContact CG-CD1 4.44Å; R303-F308 VanDerWaalsContact NH2-CZ 3.35Å
309M86.4Confident88.4Confident37 Ų3742.9 Ų42.918%0.18222%0.217CC..  trans-136.9154.6178-36.3-164.775.500111.7Y185 W195 Y304 K307 F311 F325Y185-M309 WeakPolarHBondContact CE2-O 3.41Å; Y185-M309 WeakPolarHBondContact OH-CA 3.3Å; Y185-M309 PolarHBondContact OH-N 2.88Å; Y185-M309 VanDerWaalsContact OH-N 3.15Å; Y185-M309 PolarHBondContact OH-O 3.33Å; W195-M309 WeakPolarHBondContact CH2-O 3.24Å; Y304-M309 HydrophobicContact CD1-SD 3.98Å; Y304-M309 HydrophobicContact CG-SD 4.38Å; K307-M309 HydrophobicContact CB-CG 4.43Å; K307-M309 PolarHBondContact O-N 3.45Å; M309-F311 HydrophobicContact CB-CD2 4.18Å; M309-F311 HydrophobicContact CB-CE1 4.24Å; M309-F311 HydrophobicContact CB-CE2 3.53Å; M309-F311 HydrophobicContact CB-CZ 3.55Å; M309-F311 HydrophobicContact CG-CE2 4.04Å; M309-F311 HydrophobicContact CG-CZ 3.92Å; M309-F311 WeakPolarHBondContact O-CD2 3.4Å; M309-F311 PolarHBondContact O-N 3.35Å; M309-F311 HydrophobicContact SD-CZ 3.98Å; M309-F325 HydrophobicContact CB-CZ 4.26Å; M309-F325 HydrophobicContact CE-CD1 3.17Å; M309-F325 HydrophobicContact CE-CD2 4.12Å; M309-F325 HydrophobicContact CE-CE1 3.01Å; M309-F325 HydrophobicContact CE-CE2 4Å; M309-F325 HydrophobicContact CE-CG 3.71Å; M309-F325 HydrophobicContact CE-CZ 3.43Å; M309-F325 VanDerWaalsContact CE-CZ 3.43Å; M309-F325 HydrophobicContact CG-CZ 4.43Å; M309-F325 HydrophobicContact SD-CD1 4.02Å; M309-F325 HydrophobicContact SD-CD2 3.91Å; M309-F325 HydrophobicContact SD-CE1 3.63Å; M309-F325 HydrophobicContact SD-CE2 3.5Å; M309-F325 VanDerWaalsContact SD-CE2 3.5Å; M309-F325 HydrophobicContact SD-CG 4.13Å; M309-F325 HydrophobicContact SD-CZ 3.3Å; M309-F325 WeakPolarHBondContact SD-CZ 3.48Å
310N89.5Confident88Confident76 Ų7642.6 Ų42.641%0.40622%0.216SC..  trans-85.890.1-177.6-170.4-9.3000111.2Y185 T312 L323Y185-N310 HydrophobicContact CD1-CB 3.58Å; Y185-N310 HydrophobicContact CE1-CB 3.58Å; Y185-N310 HydrophobicContact CG-CB 4.11Å; N310-T312 VanDerWaalsContact C-N 3.32Å; N310-T312 PolarHBondContact O-N 3.46Å; N310-T312 VanDerWaalsContact OD1-CB 3.29Å; N310-T312 WeakPolarHBondContact OD1-CB 3.25Å; N310-T312 PolarHBondContact OD1-N 2.87Å; N310-T312 VanDerWaalsContact OD1-N 3.16Å; N310-T312 PolarHBondContact OD1-OG1 3.44Å; N310-L323 WeakPolarHBondContact O-CD1 3.42Å
311F89.8Confident87.6Confident3 Ų345.2 Ų45.21%0.01323%0.227CC..  trans-91.329.3175.6-59-65.9000114W195 F260 L302 Y304 M309 N313 M314 L315 L322 F325W195-F311 HydrophobicContact CH2-CB 3.83Å; W195-F311 HydrophobicContact CH2-CD2 4.28Å; W195-F311 HydrophobicContact CZ2-CB 4.24Å; F260-F311 HydrophobicContact CD1-CE2 4.44Å; F260-F311 HydrophobicContact CD1-CZ 4.45Å; F260-F311 HydrophobicContact CE1-CD1 4.41Å; F260-F311 HydrophobicContact CE1-CD2 4.48Å; F260-F311 AromaticContact CE1-CE1 3.84Å; F260-F311 HydrophobicContact CE1-CE1 3.84Å; F260-F311 AromaticContact CE1-CE2 3.91Å; F260-F311 HydrophobicContact CE1-CE2 3.91Å; F260-F311 AromaticContact CE1-CZ 3.57Å; F260-F311 HydrophobicContact CE1-CZ 3.57Å; F260-F311 HydrophobicContact CZ-CE1 4.26Å; F260-F311 HydrophobicContact CZ-CZ 4.28Å; L302-F311 HydrophobicContact CB-CD2 3.98Å; L302-F311 HydrophobicContact CD2-CB 3.99Å; L302-F311 HydrophobicContact CD2-CD2 3.66Å; L302-F311 HydrophobicContact CD2-CE2 4.33Å; L302-F311 HydrophobicContact CD2-CG 3.92Å; L302-F311 HydrophobicContact CG-CD2 3.9Å; L302-F311 HydrophobicContact CG-CE2 4.29Å; Y304-F311 HydrophobicContact CG-CZ 4.45Å; M309-F311 HydrophobicContact CB-CD2 4.18Å; M309-F311 HydrophobicContact CB-CE1 4.24Å; M309-F311 HydrophobicContact CB-CE2 3.53Å; M309-F311 HydrophobicContact CB-CZ 3.55Å; M309-F311 HydrophobicContact CG-CE2 4.04Å; M309-F311 HydrophobicContact CG-CZ 3.92Å; M309-F311 WeakPolarHBondContact O-CD2 3.4Å; M309-F311 PolarHBondContact O-N 3.35Å; M309-F311 HydrophobicContact SD-CZ 3.98Å; F311-N313 PolarHBondContact O-N 3Å; F311-M314 HydrophobicContact CB-CB 4.34Å; F311-M314 HydrophobicContact CB-CE 4.5Å; F311-M314 HydrophobicContact CB-SD 4.16Å; F311-M314 HydrophobicContact CD1-CE 3.99Å; F311-M314 HydrophobicContact CD1-SD 3.39Å; F311-M314 WeakPolarHBondContact CD1-SD 3.32Å; F311-M314 HydrophobicContact CE1-SD 4.1Å; F311-M314 HydrophobicContact CG-CE 4.38Å; F311-M314 HydrophobicContact CG-SD 4.12Å; F311-M314 PolarHBondContact O-N 2.89Å; F311-M314 VanDerWaalsContact O-N 3.1Å; F311-L315 PolarHBondContact O-N 3.06Å; F311-L322 HydrophobicContact CE1-CD1 4.41Å; F311-F325 AromaticContact CE1-CE2 3.86Å; F311-F325 HydrophobicContact CE1-CE2 3.86Å; F311-F325 AromaticContact CE1-CZ 3.56Å; F311-F325 HydrophobicContact CE1-CZ 3.56Å; F311-F325 HydrophobicContact CZ-CE2 4.09Å; F311-F325 AromaticContact CZ-CZ 3.91Å; F311-F325 HydrophobicContact CZ-CZ 3.91Å
312T89.3Confident87.1Confident16 Ų1647.9 Ų47.910%0.09824%0.241CC..Hα-helixtrans-53.4-41.1-177-66.60000112.5M180 V184 W195 N310 M314 L315 L316M180-T312 HydrophobicContact CE-CG2 4.5Å; V184-T312 HydrophobicContact CG1-CG2 3.53Å; V184-T312 WeakPolarHBondContact CG1-OG1 3.42Å; W195-T312 PolarHBondContact NE1-OG1 2.82Å; N310-T312 VanDerWaalsContact C-N 3.32Å; N310-T312 PolarHBondContact O-N 3.46Å; N310-T312 VanDerWaalsContact OD1-CB 3.29Å; N310-T312 WeakPolarHBondContact OD1-CB 3.25Å; N310-T312 PolarHBondContact OD1-N 2.87Å; N310-T312 VanDerWaalsContact OD1-N 3.16Å; N310-T312 PolarHBondContact OD1-OG1 3.44Å; T312-M314 PolarHBondContact O-N 2.97Å; T312-L315 PolarHBondContact O-N 3.02Å; T312-L316 HydrophobicContact CG2-CD1 3.6Å; T312-L316 HydrophobicContact CG2-CG 4.08Å; T312-L316 WeakPolarHBondContact O-CB 3.31Å; T312-L316 WeakPolarHBondContact O-CG 3.43Å; T312-L316 PolarHBondContact O-N 3.2Å
313N85.3Confident86.4Confident75 Ų7551.2 Ų51.240%0.40126%0.258SS..Hα-helixtrans-66.9-37.7-178.5-73.4-14.6000112.7F311 G317 N318 D319F311-N313 PolarHBondContact O-N 3Å; N313-G317 CarbonylContact O-C 3.47Å; N313-G317 VanDerWaalsContact O-CA 3.24Å; N313-G317 WeakPolarHBondContact O-CA 3.22Å; N313-G317 PolarHBondContact O-N 3.01Å; N313-N318 PolarHBondContact O-N 1.97Å; N313-D319 CarbonylContact C-O 3.53Å; N313-D319 HydrophobicContact CB-CB 4.29Å; N313-D319 WeakPolarHBondContact CB-O 3.35Å
314M88.5Confident85.5Confident3 Ų353.5 Ų53.52%0.01528%0.275CS..Hα-helixtrans-69.6-37.3174.2-69164.851.600112M166 C167 T168 W257 F260 L302 F311 T312 L322M166-M314 HydrophobicContact CB-CE 3.92Å; M166-M314 HydrophobicContact CB-CG 4.48Å; M166-M314 HydrophobicContact CB-SD 4.33Å; M166-M314 VanDerWaalsContact O-CB 3.3Å; M166-M314 WeakPolarHBondContact O-CB 3.32Å; M166-M314 WeakPolarHBondContact O-CE 3.44Å; M166-M314 WeakPolarHBondContact O-CG 2.98Å; C167-M314 WeakPolarHBondContact CA-O 3.43Å; T168-M314 PolarHBondContact N-O 2.01Å; W257-M314 HydrophobicContact CH2-CE 3.56Å; W257-M314 HydrophobicContact CZ3-CE 3.47Å; W257-M314 VanDerWaalsContact CZ3-CE 3.47Å; F260-M314 HydrophobicContact CE1-CE 4.02Å; F260-M314 HydrophobicContact CZ-CE 4.09Å; L302-M314 HydrophobicContact CD2-CE 4.32Å; F311-M314 HydrophobicContact CB-CB 4.34Å; F311-M314 HydrophobicContact CB-CE 4.5Å; F311-M314 HydrophobicContact CB-SD 4.16Å; F311-M314 HydrophobicContact CD1-CE 3.99Å; F311-M314 HydrophobicContact CD1-SD 3.39Å; F311-M314 WeakPolarHBondContact CD1-SD 3.32Å; F311-M314 HydrophobicContact CE1-SD 4.1Å; F311-M314 HydrophobicContact CG-CE 4.38Å; F311-M314 HydrophobicContact CG-SD 4.12Å; F311-M314 PolarHBondContact O-N 2.89Å; F311-M314 VanDerWaalsContact O-N 3.1Å; T312-M314 PolarHBondContact O-N 2.97Å; M314-L322 HydrophobicContact SD-CD1 4.45Å
315L88.5Confident84.2Confident3 Ų355.1 Ų55.12%0.01628%0.283CS..Hα-helixtrans-70.9-46.1179.4-163.485.3000111.9T168 I171 N178 M180 W195 I197 V300 F311 T312T168-L315 HydrophobicContact CG2-CD1 4.22Å; T168-L315 WeakPolarHBondContact OG1-CA 3.09Å; I171-L315 HydrophobicContact CD1-CD1 3.44Å; I171-L315 VanDerWaalsContact CD1-CD1 3.44Å; I171-L315 HydrophobicContact CD1-CG 4.39Å; N178-L315 HydrophobicContact CB-CG 4.46Å; N178-L315 PolarHBondContact ND2-O 2.7Å; M180-L315 HydrophobicContact CE-CD2 3.51Å; M180-L315 HydrophobicContact SD-CD2 4.44Å; W195-L315 HydrophobicContact CB-CD2 3.75Å; W195-L315 HydrophobicContact CD2-CD2 3.79Å; W195-L315 HydrophobicContact CE3-CD2 4.25Å; W195-L315 HydrophobicContact CG-CD2 3.53Å; I197-L315 HydrophobicContact CD1-CD2 3.93Å; I197-L315 HydrophobicContact CD1-CG 4.49Å; I197-L315 HydrophobicContact CG1-CD2 4.43Å; V300-L315 HydrophobicContact CG1-CD1 4.39Å; F311-L315 PolarHBondContact O-N 3.06Å; T312-L315 PolarHBondContact O-N 3.02Å
316L84.9Confident82.4Confident37 Ų3761.3 Ų61.319%0.19431%0.314CS..Hα-helixtrans-72.3-38176.5-66-179.9000109.5R151 M180 T312R151-L316 PolarHBondContact NH1-O 2.77Å; R151-L316 PolarHBondContact NH2-O 3.21Å; M180-L316 HydrophobicContact CE-CD1 4.43Å; M180-L316 HydrophobicContact CE-CD2 3.64Å; M180-L316 HydrophobicContact CE-CG 3.97Å; T312-L316 HydrophobicContact CG2-CD1 3.6Å; T312-L316 HydrophobicContact CG2-CG 4.08Å; T312-L316 WeakPolarHBondContact O-CB 3.31Å; T312-L316 WeakPolarHBondContact O-CG 3.43Å; T312-L316 PolarHBondContact O-N 3.2Å
317G80.3Confident82Confident3 Ų361.9 Ų61.93%0.03130%0.303CS..THydrogen-bonded Turntrans88.426-171.100000114Y103 R151 H161 C167 N313Y103-G317 WeakPolarHBondContact OH-CA 3.15Å; Y103-G317 PolarHBondContact OH-O 2.95Å; R151-G317 PolarHBondContact NH1-O 3.06Å; H161-G317 PolarHBondContact NE2-O 3.31Å; C167-G317 VanDerWaalsContact SG-CA 3.5Å; N313-G317 CarbonylContact O-C 3.47Å; N313-G317 VanDerWaalsContact O-CA 3.24Å; N313-G317 WeakPolarHBondContact O-CA 3.22Å; N313-G317 PolarHBondContact O-N 3.01Å
318N77.9Confident81.6Confident70 Ų7057.4 Ų57.437%0.37429%0.285SS..SBendtrans-73.4-41.9179.9-77.2-34.8000110R151 N313R151-N318 VanDerWaalsContact NH1-CA 3.34Å; R151-N318 VanDerWaalsContact NH1-CG 3.25Å; R151-N318 PolarHBondContact NH1-OD1 3.06Å; N313-N318 PolarHBondContact O-N 1.97Å
319D76.1Confident81.3Confident51 Ų5155.7 Ų55.727%0.27328%0.28SS..  trans-149112.6179.41793.2000105.8Y160 N313 K321Y160-D319 WeakPolarHBondContact CD2-OD1 3.48Å; N313-D319 CarbonylContact C-O 3.53Å; N313-D319 HydrophobicContact CB-CB 4.29Å; N313-D319 WeakPolarHBondContact CB-O 3.35Å; D319-K321 PolarHBondContact O-N 2.83Å; D319-K321 VanDerWaalsContact OD1-CB 3.23Å; D319-K321 WeakPolarHBondContact OD1-CB 2.96Å; D319-K321 PolarHBondContact OD1-N 2.66Å; D319-K321 VanDerWaalsContact OD1-N 3.13Å
320C84.2Confident81Confident0 Ų056.8 Ų56.80%029%0.286CS..  trans-78.513.2-177.4-57.90000112.7H161 C165 M166 C167H161-C320 PolarHBondContact CD2-SG 2.85Å; H161-C320 PolarHBondContact NE2-SG 3.09Å; C165-C320 HydrophobicContact CB-CB 4.28Å; M166-C320 WeakPolarHBondContact CB-O 3.37Å; M166-C320 PolarHBondContact N-O 2.88Å; C167-C320 HydrophobicContact CB-CB 3.94Å; C167-C320 WeakPolarHBondContact CB-SG 3.39Å; C167-C320 WeakPolarHBondContact SG-CA 3.29Å; C167-C320 WeakPolarHBondContact SG-CB 3.28Å; C167-C320 CovalentContact SG-SG 2.01Å; C167-C320 PolarHBondContact SG-SG 3.09Å
321K86.3Confident80.4Confident57 Ų5755.6 Ų55.625%0.24828%0.278CS..PPolyproline II helixtrans-63.9132.7178-176.4179.3-175.3-173.20111.9Y160 D319 L323 D324Y160-K321 HydrophobicContact CD1-CB 3.73Å; Y160-K321 HydrophobicContact CD1-CG 3.9Å; Y160-K321 HydrophobicContact CD2-CB 3.78Å; Y160-K321 HydrophobicContact CD2-CG 4.36Å; Y160-K321 HydrophobicContact CE1-CB 3.9Å; Y160-K321 HydrophobicContact CE1-CD 3.88Å; Y160-K321 HydrophobicContact CE1-CG 3.56Å; Y160-K321 HydrophobicContact CE2-CB 3.97Å; Y160-K321 HydrophobicContact CE2-CD 3.83Å; Y160-K321 HydrophobicContact CE2-CG 4.08Å; Y160-K321 HydrophobicContact CG-CB 3.66Å; Y160-K321 HydrophobicContact CG-CG 4.28Å; Y160-K321 VanDerWaalsContact CZ-CD 3.45Å; Y160-K321 WeakPolarHBondContact OH-CD 2.87Å; Y160-K321 WeakPolarHBondContact OH-CE 3.14Å; D319-K321 PolarHBondContact O-N 2.83Å; D319-K321 VanDerWaalsContact OD1-CB 3.23Å; D319-K321 WeakPolarHBondContact OD1-CB 2.96Å; D319-K321 PolarHBondContact OD1-N 2.66Å; D319-K321 VanDerWaalsContact OD1-N 3.13Å; K321-L323 PolarHBondContact O-N 2.67Å; K321-D324 WeakPolarHBondContact CE-OD2 3.46Å; K321-D324 IonicContact NZ-OD2 3.18Å; K321-D324 PolarHBondContact NZ-OD2 2.9Å
322L82.9Confident79.8Confident56 Ų5659.1 Ų59.129%0.29330%0.296SS..PPolyproline II helixtrans-69.7122160.6-175.560.5000109.3M166 F260 F311 M314 D324 F325M166-L322 HydrophobicContact CG-CB 4.21Å; F260-L322 HydrophobicContact CE2-CD1 4.26Å; F260-L322 HydrophobicContact CZ-CD1 3.59Å; F311-L322 HydrophobicContact CE1-CD1 4.41Å; M314-L322 HydrophobicContact SD-CD1 4.45Å; L322-D324 PolarHBondContact O-N 3.49Å; L322-F325 HydrophobicContact CD1-CE2 4.19Å
323L79.8Confident79.1Confident74 Ų7462.1 Ų62.139%0.38731%0.31SS..PPolyproline II helixtrans-58.3133.4176-68.6170.3000110.3N310 K321 F325N310-L323 WeakPolarHBondContact O-CD1 3.42Å; K321-L323 PolarHBondContact O-N 2.67Å; L323-F325 HydrophobicContact CB-CD1 4.08Å; L323-F325 HydrophobicContact CB-CE1 3.32Å; L323-F325 HydrophobicContact CB-CE2 4.14Å; L323-F325 HydrophobicContact CB-CZ 3.4Å; L323-F325 VanDerWaalsContact CB-CZ 3.4Å; L323-F325 HydrophobicContact CD1-CE1 3.88Å; L323-F325 HydrophobicContact CD1-CZ 3.98Å; L323-F325 HydrophobicContact CG-CE1 4.26Å; L323-F325 HydrophobicContact CG-CZ 4.28Å; L323-F325 VanDerWaalsContact O-CD2 3.23Å; L323-F325 WeakPolarHBondContact O-CD2 3.19Å; L323-F325 WeakPolarHBondContact O-CE2 3.38Å; L323-F325 WeakPolarHBondContact O-CG 3.27Å; L323-F325 PolarHBondContact O-N 3.41Å
324D72.6Confident78.6Confident112 Ų11261.2 Ų61.260%0.59930%0.303SS*.  trans-69.1113.8174.1-62.7-52000108.4K321 L322K321-D324 WeakPolarHBondContact CE-OD2 3.46Å; K321-D324 IonicContact NZ-OD2 3.18Å; K321-D324 PolarHBondContact NZ-OD2 2.9Å; L322-D324 PolarHBondContact O-N 3.49Å
325F65.9Low77.8Confident72 Ų7266 Ų6632%0.31633%0.327SS..  trans-107.2106.3179.1-55.7-53.3000109.1Y304 M309 F311 L322 L323Y304-F325 AromaticContact CD1-CD2 3.72Å; Y304-F325 HydrophobicContact CD1-CD2 3.72Å; Y304-F325 AromaticContact CD1-CE2 3.86Å; Y304-F325 HydrophobicContact CD1-CE2 3.86Å; Y304-F325 AromaticContact CE1-CD2 3.75Å; Y304-F325 HydrophobicContact CE1-CD2 3.75Å; Y304-F325 HydrophobicContact CE1-CE2 4.26Å; Y304-F325 HydrophobicContact CG-CE2 4.31Å; M309-F325 HydrophobicContact CB-CZ 4.26Å; M309-F325 HydrophobicContact CE-CD1 3.17Å; M309-F325 HydrophobicContact CE-CD2 4.12Å; M309-F325 HydrophobicContact CE-CE1 3.01Å; M309-F325 HydrophobicContact CE-CE2 4Å; M309-F325 HydrophobicContact CE-CG 3.71Å; M309-F325 HydrophobicContact CE-CZ 3.43Å; M309-F325 VanDerWaalsContact CE-CZ 3.43Å; M309-F325 HydrophobicContact CG-CZ 4.43Å; M309-F325 HydrophobicContact SD-CD1 4.02Å; M309-F325 HydrophobicContact SD-CD2 3.91Å; M309-F325 HydrophobicContact SD-CE1 3.63Å; M309-F325 HydrophobicContact SD-CE2 3.5Å; M309-F325 VanDerWaalsContact SD-CE2 3.5Å; M309-F325 HydrophobicContact SD-CG 4.13Å; M309-F325 HydrophobicContact SD-CZ 3.3Å; M309-F325 WeakPolarHBondContact SD-CZ 3.48Å; F311-F325 AromaticContact CE1-CE2 3.86Å; F311-F325 HydrophobicContact CE1-CE2 3.86Å; F311-F325 AromaticContact CE1-CZ 3.56Å; F311-F325 HydrophobicContact CE1-CZ 3.56Å; F311-F325 HydrophobicContact CZ-CE2 4.09Å; F311-F325 AromaticContact CZ-CZ 3.91Å; F311-F325 HydrophobicContact CZ-CZ 3.91Å; L322-F325 HydrophobicContact CD1-CE2 4.19Å; L323-F325 HydrophobicContact CB-CD1 4.08Å; L323-F325 HydrophobicContact CB-CE1 3.32Å; L323-F325 HydrophobicContact CB-CE2 4.14Å; L323-F325 HydrophobicContact CB-CZ 3.4Å; L323-F325 VanDerWaalsContact CB-CZ 3.4Å; L323-F325 HydrophobicContact CD1-CE1 3.88Å; L323-F325 HydrophobicContact CD1-CZ 3.98Å; L323-F325 HydrophobicContact CG-CE1 4.26Å; L323-F325 HydrophobicContact CG-CZ 4.28Å; L323-F325 VanDerWaalsContact O-CD2 3.23Å; L323-F325 WeakPolarHBondContact O-CD2 3.19Å; L323-F325 WeakPolarHBondContact O-CE2 3.38Å; L323-F325 WeakPolarHBondContact O-CG 3.27Å; L323-F325 PolarHBondContact O-N 3.41Å
326H54.6Low76.9Confident257 Ų25771.7 Ų71.7100%1.1936%0.355SS*.  trans-83.90170.7-66.2-57.5000111.9

Retrieved 326 of 326 residues in 211.5 ms (Link to these results)