A0A077Z3A9_TRITR Loading...

E1 DerP2 DerF2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z3A9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 303 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M24.7Very low47Very low245 Ų24580.7 Ų80.7100%1.20743%0.432SS*.  0104.60-69.6167.1178.600107A3M1-A3 PolarHBondContact O-N 3.41Å; M1-A3 VanDerWaalsContact O-N 3.08Å
2H23.4Very low50.1Low188 Ų18883.9 Ų83.987%0.8744%0.442SS*.  trans-70103.5173.3-76.6-76.5000107.5Q4H2-Q4 PolarHBondContact O-N 3.02Å; H2-Q4 VanDerWaalsContact O-N 3.12Å
3A23.8Very low53Low91 Ų9183.3 Ų83.375%0.75244%0.44SS*.  trans-59.3116.2160.900000105.9M1 G5M1-A3 PolarHBondContact O-N 3.41Å; M1-A3 VanDerWaalsContact O-N 3.08Å; A3-G5 PolarHBondContact O-N 2.88Å
4Q27Very low55.7Low171 Ų17179.8 Ų79.880%0.79943%0.425SS*.  trans-63.986.9167.4-70.7-176.8-300106.7H2H2-Q4 PolarHBondContact O-N 3.02Å; H2-Q4 VanDerWaalsContact O-N 3.12Å
5G27.8Very low58.2Low38 Ų3877.9 Ų77.939%0.39243%0.431SS..  trans-61135.5172.100000108.5A3A3-G5 PolarHBondContact O-N 2.88Å
6G38Very low60.6Low3 Ų373.9 Ų73.93%0.03141%0.411CS..  trans-65.3174.9175.900000112.8E24G6-E24 VanDerWaalsContact CA-CG 3.46Å; G6-E24 WeakPolarHBondContact CA-OE1 3.29Å; G6-E24 PolarHBondContact N-OE1 3.11Å; G6-E24 WeakPolarHBondContact O-CG 3.44Å
7E53.4Low62.7Low59 Ų5974.7 Ų74.728%0.27641%0.406SS..EExtended strand (participates in β ladder)trans-91.6143-175.8-46.8-174.2157.600111E24 V25 C28 N29 D30 M165E7-E24 CarbonylContact O-C 3.46Å; E7-E24 VanDerWaalsContact O-CA 3.25Å; E7-E24 WeakPolarHBondContact O-CA 3.26Å; E7-V25 PolarHBondContact N-O 2.92Å; E7-V25 VanDerWaalsContact N-O 3.16Å; E7-V25 PolarHBondContact O-N 2.81Å; E7-C28 HydrophobicContact CB-CB 3.89Å; E7-C28 HydrophobicContact CG-CB 4.11Å; E7-C28 VanDerWaalsContact OE1-O 3.07Å; E7-C28 VanDerWaalsContact OE2-CB 3.27Å; E7-C28 WeakPolarHBondContact OE2-CB 3.26Å; E7-C28 PolarHBondContact OE2-SG 2.72Å; E7-N29 VanDerWaalsContact OE2-CA 3.25Å; E7-N29 WeakPolarHBondContact OE2-CA 3.47Å; E7-N29 PolarHBondContact OE2-N 2.84Å; E7-D30 PolarHBondContact OE2-N 3.18Å; E7-M165 HydrophobicContact CB-SD 4.27Å
8W66.5Low64.5Low20 Ų2070.7 Ų70.78%0.07639%0.385CS..EExtended strand (participates in β ladder)trans-77.3133.8-178-65.649.6000108.8W22 I23 A31 Y185 T285W8-W22 HydrophobicContact CD2-CB 4.23Å; W8-W22 HydrophobicContact CE3-CB 3.49Å; W8-W22 VanDerWaalsContact CE3-CB 3.49Å; W8-W22 HydrophobicContact CE3-CG 4.17Å; W8-W22 HydrophobicContact CH2-CB 3.5Å; W8-W22 AromaticContact CH2-CD1 3.09Å; W8-W22 HydrophobicContact CH2-CD2 4.14Å; W8-W22 AromaticContact CH2-CG 3.33Å; W8-W22 HydrophobicContact CH2-CG 3.33Å; W8-W22 AromaticContact CH2-NE1 3.69Å; W8-W22 HydrophobicContact CZ2-CB 4.17Å; W8-W22 AromaticContact CZ2-CD1 3.73Å; W8-W22 HydrophobicContact CZ2-CD2 4.12Å; W8-W22 AromaticContact CZ2-CG 3.79Å; W8-W22 HydrophobicContact CZ2-CG 3.79Å; W8-W22 AromaticContact CZ2-NE1 3.91Å; W8-W22 HydrophobicContact CZ3-CB 3.14Å; W8-W22 AromaticContact CZ3-CD1 3.68Å; W8-W22 AromaticContact CZ3-CG 3.58Å; W8-W22 HydrophobicContact CZ3-CG 3.58Å; W8-I23 CarbonylContact C-O 3.45Å; W8-I23 VanDerWaalsContact CA-O 3.3Å; W8-I23 WeakPolarHBondContact CA-O 3.38Å; W8-A31 WeakPolarHBondContact O-CA 3.37Å; W8-A31 WeakPolarHBondContact O-CB 3.39Å; W8-Y185 HydrophobicContact CH2-CD1 4.5Å; W8-Y185 HydrophobicContact CH2-CG 4.49Å; W8-Y185 WeakPolarHBondContact CH2-O 3.33Å; W8-Y185 VanDerWaalsContact CZ2-CB 3.47Å; W8-Y185 AromaticContact CZ2-CD1 3.51Å; W8-Y185 HydrophobicContact CZ2-CD1 3.51Å; W8-Y185 AromaticContact CZ2-CG 3.89Å; W8-Y185 HydrophobicContact CZ2-CG 3.89Å; W8-Y185 WeakPolarHBondContact CZ3-O 3.13Å; W8-T285 HydrophobicContact CE3-CG2 4.14Å; W8-T285 HydrophobicContact CZ3-CG2 4.01Å
9V71.8Confident65.9Low5 Ų573.4 Ų73.43%0.0340%0.395CS..  trans-106.6141.5-179.2-58.10000111.3I23 V25 A31 C34V9-I23 HydrophobicContact CG2-CB 3.75Å; V9-I23 HydrophobicContact CG2-CG2 3.38Å; V9-I23 PolarHBondContact N-O 3.07Å; V9-V25 HydrophobicContact CB-CG2 4.29Å; V9-V25 HydrophobicContact CG1-CB 3.55Å; V9-V25 HydrophobicContact CG1-CG2 3.43Å; V9-V25 VanDerWaalsContact CG1-CG2 3.43Å; V9-V25 HydrophobicContact CG2-CG2 3.88Å; V9-A31 WeakPolarHBondContact CA-O 3.38Å; V9-C34 WeakPolarHBondContact CG1-SG 3.48Å
10N75.6Confident67Low38 Ų3870.4 Ų70.420%0.20338%0.378CS..  trans-68.3134.2168.9178.980.6000108.5A31 Y32 T131 K217N10-A31 PolarHBondContact N-O 3Å; N10-Y32 HydrophobicContact CB-CD1 3.92Å; N10-Y32 HydrophobicContact CB-CE1 4.3Å; N10-T131 PolarHBondContact O-OG1 2.83Å; N10-K217 PolarHBondContact OD1-NZ 2.85Å
11Y85.1Confident67.9Low30 Ų3067.5 Ų67.512%0.11836%0.362CS..  trans-137.9158.217866.7-91.4000110.7I20 I23 V129 Y130Y11-I20 HydrophobicContact CE1-CG2 4.28Å; Y11-I20 HydrophobicContact CE2-CB 4.4Å; Y11-I20 HydrophobicContact CE2-CD1 4.16Å; Y11-I20 HydrophobicContact CE2-CG2 4.07Å; Y11-I20 WeakPolarHBondContact OH-CG2 3.45Å; Y11-I23 HydrophobicContact CD1-CB 4.06Å; Y11-I23 HydrophobicContact CD1-CD1 3.86Å; Y11-I23 HydrophobicContact CD1-CG1 3.79Å; Y11-I23 HydrophobicContact CD2-CD1 4.28Å; Y11-I23 HydrophobicContact CE1-CB 4.44Å; Y11-I23 HydrophobicContact CE1-CD1 4.34Å; Y11-I23 HydrophobicContact CE1-CG1 3.97Å; Y11-I23 HydrophobicContact CG-CD1 3.84Å; Y11-I23 HydrophobicContact CG-CG1 4.3Å; Y11-V129 HydrophobicContact CD2-CB 4.24Å; Y11-V129 HydrophobicContact CD2-CG1 3.54Å; Y11-V129 HydrophobicContact CE2-CG1 4.15Å; Y11-V129 HydrophobicContact CG-CG1 4.16Å; Y11-Y130 CarbonylContact C-O 3.53Å; Y11-Y130 WeakPolarHBondContact CA-O 3.46Å
12E83.7Confident70.7Confident119 Ų11956.5 Ų56.556%0.55631%0.307SS*.EExtended strand (participates in β ladder)trans-112.7121.6168.4176.9179.8-178.600107.8C14 V129 Y130E12-C14 PolarHBondContact O-N 3.07Å; E12-V129 CarbonylContact O-C 3.58Å; E12-V129 VanDerWaalsContact O-CA 3.25Å; E12-V129 WeakPolarHBondContact O-CA 3.28Å; E12-Y130 HydrophobicContact CG-CD2 4.48Å; E12-Y130 PolarHBondContact N-O 3.29Å; E12-Y130 PolarHBondContact O-N 2.96Å
13D88.2Confident73.7Confident76 Ų7647.6 Ų47.641%0.40627%0.266SS..EExtended strand (participates in β ladder)trans-70.8125.6174.9-171-20.1000109.6G15 S16 C128D13-G15 PolarHBondContact OD1-N 2.73Å; D13-S16 VanDerWaalsContact CG-OG 3.29Å; D13-S16 VanDerWaalsContact OD1-CB 3.28Å; D13-S16 WeakPolarHBondContact OD1-CB 2.97Å; D13-S16 PolarHBondContact OD1-N 3.14Å; D13-S16 PolarHBondContact OD1-OG 2.84Å; D13-S16 WeakPolarHBondContact OD2-CB 2.87Å; D13-S16 PolarHBondContact OD2-OG 3.23Å; D13-C128 WeakPolarHBondContact CA-O 3.34Å
14C91.6Very high76.7Confident34 Ų3444 Ų4423%0.2323%0.234CC..SBendtrans-106.519.5-178.451.10000114.7E12 C128 V129 Y130E12-C14 PolarHBondContact O-N 3.07Å; C14-C128 HydrophobicContact CB-CB 4.13Å; C14-C128 WeakPolarHBondContact CB-SG 3.41Å; C14-C128 PolarHBondContact N-O 2.81Å; C14-C128 VanDerWaalsContact SG-CA 3.59Å; C14-C128 WeakPolarHBondContact SG-CB 3.03Å; C14-C128 PolarHBondContact SG-O 3.34Å; C14-C128 VanDerWaalsContact SG-O 3.37Å; C14-C128 CovalentContact SG-SG 2.04Å; C14-C128 PolarHBondContact SG-SG 3.33Å; C14-V129 PolarHBondContact SG-N 3.02Å; C14-Y130 HydrophobicContact CB-CD2 3.74Å; C14-Y130 HydrophobicContact CB-CE2 3.33Å
15G92.3Very high79.6Confident51 Ų5135.9 Ų35.953%0.52620%0.196SC..SBendtrans125.238.6173.400000113.9D13D13-G15 PolarHBondContact OD1-N 2.73Å
16S96.5Very high82.4Confident15 Ų1537.1 Ų37.111%0.10519%0.192CC..  trans-68.5131.4-177.8-54.20000112D13 I20 C128D13-S16 VanDerWaalsContact CG-OG 3.29Å; D13-S16 VanDerWaalsContact OD1-CB 3.28Å; D13-S16 WeakPolarHBondContact OD1-CB 2.97Å; D13-S16 PolarHBondContact OD1-N 3.14Å; D13-S16 PolarHBondContact OD1-OG 2.84Å; D13-S16 WeakPolarHBondContact OD2-CB 2.87Å; D13-S16 PolarHBondContact OD2-OG 3.23Å; S16-I20 WeakPolarHBondContact OG-CD1 3.06Å; S16-C128 PolarHBondContact OG-N 2.82Å; S16-C128 PolarHBondContact OG-O 3Å; S16-C128 VanDerWaalsContact OG-O 3.11Å
17R96Very high84.7Confident87 Ų8738.2 Ų38.233%0.32820%0.198SC..SBendtrans-80.6-24.6170.1-67.3-179.168.5165.6-2.1112.7R51 E52 N124 D125 L126R17-R51 WeakPolarHBondContact O-CD 3.12Å; R17-R51 VanDerWaalsContact O-CG 3.28Å; R17-R51 WeakPolarHBondContact O-CG 3.17Å; R17-R51 PolarHBondContact O-NE 2.76Å; R17-E52 IonicContact CZ-OE1 3.02Å; R17-E52 IonicContact NH2-OE1 3.82Å; R17-E52 PolarHBondContact NH2-OE1 2.61Å; R17-E52 IonicContact NH2-OE2 3.45Å; R17-E52 PolarHBondContact NH2-OE2 2.83Å; R17-N124 PolarHBondContact NH1-ND2 3.23Å; R17-D125 PolarHBondContact N-O 2.67Å; R17-L126 PolarHBondContact N-O 3.4Å
18A95.8Very high86Confident2 Ų235.7 Ų35.72%0.01719%0.187CC..SBendtrans-81.3158.5171.800000111.8I20 F48 A49 L126 V127A18-I20 PolarHBondContact O-N 2.04Å; A18-F48 HydrophobicContact CB-CB 4.3Å; A18-F48 HydrophobicContact CB-CD2 3.68Å; A18-F48 HydrophobicContact CB-CE2 4.48Å; A18-F48 HydrophobicContact CB-CG 4.37Å; A18-A49 WeakPolarHBondContact CA-O 3.49Å; A18-A49 WeakPolarHBondContact CB-O 3.28Å; A18-L126 HydrophobicContact CB-CD1 3.86Å; A18-L126 HydrophobicContact CB-CG 4.14Å; A18-L126 WeakPolarHBondContact CB-O 3.25Å; A18-L126 PolarHBondContact N-O 2.57Å; A18-V127 HydrophobicContact CB-CG2 4.22Å
19E90.3Very high86.4Confident123 Ų12337.1 Ų37.158%0.57520%0.196SC*.EExtended strand (participates in β ladder)trans-82.7110.1165.3-176-175170.300109F48 A49E19-F48 CarbonylContact O-C 3.53Å; E19-F48 WeakPolarHBondContact O-CA 3.16Å; E19-F48 WeakPolarHBondContact O-CB 3.27Å; E19-A49 PolarHBondContact N-O 2.88Å; E19-A49 PolarHBondContact O-N 2.88Å
20I88.8Confident86.2Confident13 Ų1340 Ų407%0.06721%0.211CC..EExtended strand (participates in β ladder)trans-81.6121.8173.2-55.3171.9000108.2Y11 S16 A18 I23 I46 V127 V129Y11-I20 HydrophobicContact CE1-CG2 4.28Å; Y11-I20 HydrophobicContact CE2-CB 4.4Å; Y11-I20 HydrophobicContact CE2-CD1 4.16Å; Y11-I20 HydrophobicContact CE2-CG2 4.07Å; Y11-I20 WeakPolarHBondContact OH-CG2 3.45Å; S16-I20 WeakPolarHBondContact OG-CD1 3.06Å; A18-I20 PolarHBondContact O-N 2.04Å; I20-I23 HydrophobicContact CG2-CD1 4.49Å; I20-I23 HydrophobicContact CG2-CG1 4.11Å; I20-I46 HydrophobicContact CG2-CG2 4.41Å; I20-V127 HydrophobicContact CD1-CG1 3.86Å; I20-V127 HydrophobicContact CG1-CG1 4.32Å; I20-V127 HydrophobicContact CG1-CG2 4.31Å; I20-V129 HydrophobicContact CD1-CG1 3.46Å; I20-V129 VanDerWaalsContact CD1-CG1 3.46Å
21M85.8Confident85.9Confident10 Ų1038.7 Ų38.75%0.04921%0.206CC..EExtended strand (participates in β ladder)trans-85-51173.9-58.5177.872.600109.8R47 R94M21-R47 HydrophobicContact CB-CB 4.36Å; M21-R47 HydrophobicContact CB-CG 4.34Å; M21-R47 PolarHBondContact N-O 3.27Å; M21-R47 HydrophobicContact SD-CG 3.82Å; M21-R94 HydrophobicContact SD-CB 4.31Å; M21-R94 VanDerWaalsContact SD-CD 3.51Å; M21-R94 HydrophobicContact SD-CG 3.71Å
22W82.7Confident85Confident13 Ų1340.2 Ų40.25%0.04921%0.212CC..EExtended strand (participates in β ladder)trans-161.1161.9-179.553.5-107.5000113.7W8 E24 R45 R47 I96W8-W22 HydrophobicContact CD2-CB 4.23Å; W8-W22 HydrophobicContact CE3-CB 3.49Å; W8-W22 VanDerWaalsContact CE3-CB 3.49Å; W8-W22 HydrophobicContact CE3-CG 4.17Å; W8-W22 HydrophobicContact CH2-CB 3.5Å; W8-W22 AromaticContact CH2-CD1 3.09Å; W8-W22 HydrophobicContact CH2-CD2 4.14Å; W8-W22 AromaticContact CH2-CG 3.33Å; W8-W22 HydrophobicContact CH2-CG 3.33Å; W8-W22 AromaticContact CH2-NE1 3.69Å; W8-W22 HydrophobicContact CZ2-CB 4.17Å; W8-W22 AromaticContact CZ2-CD1 3.73Å; W8-W22 HydrophobicContact CZ2-CD2 4.12Å; W8-W22 AromaticContact CZ2-CG 3.79Å; W8-W22 HydrophobicContact CZ2-CG 3.79Å; W8-W22 AromaticContact CZ2-NE1 3.91Å; W8-W22 HydrophobicContact CZ3-CB 3.14Å; W8-W22 AromaticContact CZ3-CD1 3.68Å; W8-W22 AromaticContact CZ3-CG 3.58Å; W8-W22 HydrophobicContact CZ3-CG 3.58Å; W22-E24 HydrophobicContact CE3-CB 3.91Å; W22-E24 HydrophobicContact CZ3-CB 3.65Å; W22-R45 HydrophobicContact CH2-CB 4.33Å; W22-R45 HydrophobicContact CZ3-CB 3.83Å; W22-R47 HydrophobicContact CD2-CB 3.51Å; W22-R47 VanDerWaalsContact CE2-CD 3.47Å; W22-R47 HydrophobicContact CE3-CB 3.95Å; W22-R47 HydrophobicContact CG-CB 4.01Å; W22-R47 HydrophobicContact CH2-CB 3.96Å; W22-R47 HydrophobicContact CZ2-CB 3.54Å; W22-R47 HydrophobicContact CZ2-CG 4.16Å; W22-R47 HydrophobicContact CZ3-CB 4.14Å; W22-R47 PolarHBondContact N-O 3.37Å; W22-R47 PolarHBondContact O-N 2.78Å; W22-I96 HydrophobicContact CH2-CD1 4.14Å; W22-I96 HydrophobicContact CH2-CG1 4.43Å; W22-I96 HydrophobicContact CH2-CG2 4.28Å; W22-I96 HydrophobicContact CZ2-CD1 4.11Å
23I87.8Confident84.7Confident2 Ų236.9 Ų36.91%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-127.1131.3171.9-56-168.6000108.3W8 V9 Y11 I20 L44 R45 I46 V129W8-I23 CarbonylContact C-O 3.45Å; W8-I23 VanDerWaalsContact CA-O 3.3Å; W8-I23 WeakPolarHBondContact CA-O 3.38Å; V9-I23 HydrophobicContact CG2-CB 3.75Å; V9-I23 HydrophobicContact CG2-CG2 3.38Å; V9-I23 PolarHBondContact N-O 3.07Å; Y11-I23 HydrophobicContact CD1-CB 4.06Å; Y11-I23 HydrophobicContact CD1-CD1 3.86Å; Y11-I23 HydrophobicContact CD1-CG1 3.79Å; Y11-I23 HydrophobicContact CD2-CD1 4.28Å; Y11-I23 HydrophobicContact CE1-CB 4.44Å; Y11-I23 HydrophobicContact CE1-CD1 4.34Å; Y11-I23 HydrophobicContact CE1-CG1 3.97Å; Y11-I23 HydrophobicContact CG-CD1 3.84Å; Y11-I23 HydrophobicContact CG-CG1 4.3Å; I20-I23 HydrophobicContact CG2-CD1 4.49Å; I20-I23 HydrophobicContact CG2-CG1 4.11Å; I23-L44 HydrophobicContact CG2-CD1 3.39Å; I23-R45 CarbonylContact C-O 3.57Å; I23-R45 WeakPolarHBondContact CA-O 3.2Å; I23-I46 HydrophobicContact CD1-CD1 4.44Å; I23-I46 HydrophobicContact CD1-CG1 4.31Å; I23-I46 HydrophobicContact CD1-CG2 4.48Å; I23-I46 HydrophobicContact CG1-CG1 4.21Å; I23-I46 HydrophobicContact CG1-CG2 4.18Å; I23-I46 HydrophobicContact CG2-CG1 4.19Å; I23-V129 HydrophobicContact CD1-CB 4.05Å; I23-V129 HydrophobicContact CD1-CG1 3.7Å; I23-V129 HydrophobicContact CD1-CG2 3.63Å
24E86.1Confident84.5Confident15 Ų1533.3 Ų33.37%0.0718%0.178CC..EExtended strand (participates in β ladder)trans-121.5137.8-179.5-175.3-158.3122.100109.2G6 E7 W22 L44 R45G6-E24 VanDerWaalsContact CA-CG 3.46Å; G6-E24 WeakPolarHBondContact CA-OE1 3.29Å; G6-E24 PolarHBondContact N-OE1 3.11Å; G6-E24 WeakPolarHBondContact O-CG 3.44Å; E7-E24 CarbonylContact O-C 3.46Å; E7-E24 VanDerWaalsContact O-CA 3.25Å; E7-E24 WeakPolarHBondContact O-CA 3.26Å; W22-E24 HydrophobicContact CE3-CB 3.91Å; W22-E24 HydrophobicContact CZ3-CB 3.65Å; E24-L44 CarbonylContact O-C 3.57Å; E24-L44 WeakPolarHBondContact O-CA 3.27Å; E24-R45 HydrophobicContact CB-CB 4.19Å; E24-R45 PolarHBondContact N-O 2.78Å; E24-R45 PolarHBondContact O-N 2.9Å; E24-R45 IonicContact OE1-CZ 3.71Å; E24-R45 IonicContact OE1-NH1 3.89Å; E24-R45 PolarHBondContact OE1-NH1 3.24Å
25V87.9Confident84.2Confident1 Ų132.2 Ų32.21%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-125.8129.3173.41780000109.2E7 V9 C28 T42 T43 L44 F133E7-V25 PolarHBondContact N-O 2.92Å; E7-V25 VanDerWaalsContact N-O 3.16Å; E7-V25 PolarHBondContact O-N 2.81Å; V9-V25 HydrophobicContact CB-CG2 4.29Å; V9-V25 HydrophobicContact CG1-CB 3.55Å; V9-V25 HydrophobicContact CG1-CG2 3.43Å; V9-V25 VanDerWaalsContact CG1-CG2 3.43Å; V9-V25 HydrophobicContact CG2-CG2 3.88Å; V25-C28 HydrophobicContact CB-CB 4.27Å; V25-C28 HydrophobicContact CG1-CB 4.3Å; V25-C28 VanDerWaalsContact O-CB 3.27Å; V25-C28 WeakPolarHBondContact O-CB 3.29Å; V25-T42 HydrophobicContact CG1-CG2 3.32Å; V25-T43 CarbonylContact C-O 3.55Å; V25-T43 WeakPolarHBondContact CA-O 3.47Å; V25-L44 HydrophobicContact CG2-CD1 3.8Å; V25-F133 HydrophobicContact CG1-CE1 4.14Å; V25-F133 HydrophobicContact CG2-CE1 4.1Å; V25-F133 HydrophobicContact CG2-CZ 4.16Å
26H86.2Confident84.1Confident64 Ų6430.5 Ų30.530%0.29615%0.149SC..EExtended strand (participates in β ladder)trans-133127.1179.7-17376.6000112.4T42 T43H26-T42 CarbonylContact O-C 3.56Å; H26-T42 WeakPolarHBondContact O-CA 3.35Å; H26-T43 PolarHBondContact N-O 3.48Å; H26-T43 PolarHBondContact O-N 2.74Å
27P86.3Confident83.8Confident26 Ų2634 Ų3417%0.16916%0.163CC..SBendcis-71.3148.6-9.831.9-33.3000110.2N41P27-N41 WeakPolarHBondContact CD-O 3.46Å
28C80.8Confident83.6Confident5 Ų532.7 Ų32.73%0.03416%0.158CC..  trans-132.2166.3163.4171.90000106.8E7 V25 D30 C34E7-C28 HydrophobicContact CB-CB 3.89Å; E7-C28 HydrophobicContact CG-CB 4.11Å; E7-C28 VanDerWaalsContact OE1-O 3.07Å; E7-C28 VanDerWaalsContact OE2-CB 3.27Å; E7-C28 WeakPolarHBondContact OE2-CB 3.26Å; E7-C28 PolarHBondContact OE2-SG 2.72Å; V25-C28 HydrophobicContact CB-CB 4.27Å; V25-C28 HydrophobicContact CG1-CB 4.3Å; V25-C28 VanDerWaalsContact O-CB 3.27Å; V25-C28 WeakPolarHBondContact O-CB 3.29Å; C28-D30 PolarHBondContact SG-N 3.02Å; C28-D30 PolarHBondContact SG-O 2.96Å; C28-C34 HydrophobicContact CB-CB 3.81Å; C28-C34 WeakPolarHBondContact CB-SG 3.4Å; C28-C34 VanDerWaalsContact SG-CA 3.58Å; C28-C34 WeakPolarHBondContact SG-CB 3.29Å; C28-C34 CovalentContact SG-SG 2.01Å; C28-C34 PolarHBondContact SG-SG 3.22Å
29N75.4Confident83.4Confident51 Ų5133.9 Ų33.927%0.27317%0.17SC..SBendtrans-134.8-1.8174.764.7-37.6000113.2E7 T35E7-N29 VanDerWaalsContact OE2-CA 3.25Å; E7-N29 WeakPolarHBondContact OE2-CA 3.47Å; E7-N29 PolarHBondContact OE2-N 2.84Å; N29-T35 PolarHBondContact ND2-OG1 2.72Å; N29-T35 VanDerWaalsContact ND2-OG1 3.13Å; N29-T35 WeakPolarHBondContact OD1-CB 2.8Å; N29-T35 PolarHBondContact OD1-N 2.78Å; N29-T35 PolarHBondContact OD1-OG1 3.07Å
30D67.8Low83.4Confident65 Ų6528.7 Ų28.735%0.34815%0.15SC..  trans-163.1111.1-177.5-177.3-14.6000109.5E7 C28 Y32 N33 C34E7-D30 PolarHBondContact OE2-N 3.18Å; C28-D30 PolarHBondContact SG-N 3.02Å; C28-D30 PolarHBondContact SG-O 2.96Å; D30-Y32 PolarHBondContact O-N 2.9Å; D30-Y32 WeakPolarHBondContact OD1-CD2 3.41Å; D30-Y32 PolarHBondContact OD1-N 3.22Å; D30-N33 CarbonylContact O-C 3.46Å; D30-N33 PolarHBondContact O-N 2.86Å; D30-N33 VanDerWaalsContact O-N 3.1Å; D30-C34 VanDerWaalsContact O-CA 3.26Å; D30-C34 WeakPolarHBondContact O-CA 3.28Å; D30-C34 PolarHBondContact O-N 2.85Å; D30-C34 PolarHBondContact O-SG 3.5Å
31A69.2Low83.6Confident11 Ų1133.6 Ų33.69%0.09118%0.176CC..THydrogen-bonded Turntrans-52.8-28.4178.100000115.2W8 V9 N10 M165W8-A31 WeakPolarHBondContact O-CA 3.37Å; W8-A31 WeakPolarHBondContact O-CB 3.39Å; V9-A31 WeakPolarHBondContact CA-O 3.38Å; N10-A31 PolarHBondContact N-O 3Å; A31-M165 HydrophobicContact CB-CE 3.22Å; A31-M165 HydrophobicContact CB-SD 3.47Å; A31-M165 WeakPolarHBondContact CB-SD 3.16Å; A31-M165 PolarHBondContact N-SD 2.82Å
32Y66.5Low83.8Confident62 Ų6233.3 Ų33.324%0.24318%0.175CC..THydrogen-bonded Turntrans-90-22.7-177.5-58.5-87.9000112.7N10 D30 Y222 R268 L283N10-Y32 HydrophobicContact CB-CD1 3.92Å; N10-Y32 HydrophobicContact CB-CE1 4.3Å; D30-Y32 PolarHBondContact O-N 2.9Å; D30-Y32 WeakPolarHBondContact OD1-CD2 3.41Å; D30-Y32 PolarHBondContact OD1-N 3.22Å; Y32-Y222 HydrophobicContact CE1-CE2 4.12Å; Y32-Y222 PolarHBondContact OH-OH 2.91Å; Y32-R268 PolarHBondContact OH-NH2 3.01Å; Y32-L283 HydrophobicContact CE2-CD1 3.56Å; Y32-L283 HydrophobicContact CE2-CD2 4.47Å; Y32-L283 WeakPolarHBondContact OH-CD2 3.35Å
33N76.3Confident84.3Confident49 Ų4933.7 Ų33.726%0.26218%0.179SC..SBendtrans-15561.5-174.7-161.722.7000111.4D30 T35 N111 F133 H134D30-N33 CarbonylContact O-C 3.46Å; D30-N33 PolarHBondContact O-N 2.86Å; D30-N33 VanDerWaalsContact O-N 3.1Å; N33-T35 PolarHBondContact O-N 3.38Å; N33-N111 PolarHBondContact ND2-OD1 2.89Å; N33-F133 WeakPolarHBondContact OD1-CA 3.22Å; N33-F133 PolarHBondContact OD1-O 2.78Å; N33-H134 PolarHBondContact OD1-N 2.75Å
34C84.3Confident84.5Confident0 Ų034.2 Ų34.20%018%0.182CC..EExtended strand (participates in β ladder)trans-54.7134.3-175-70.70000111.3V9 C28 D30 L36 F133 H134V9-C34 WeakPolarHBondContact CG1-SG 3.48Å; C28-C34 HydrophobicContact CB-CB 3.81Å; C28-C34 WeakPolarHBondContact CB-SG 3.4Å; C28-C34 VanDerWaalsContact SG-CA 3.58Å; C28-C34 WeakPolarHBondContact SG-CB 3.29Å; C28-C34 CovalentContact SG-SG 2.01Å; C28-C34 PolarHBondContact SG-SG 3.22Å; D30-C34 VanDerWaalsContact O-CA 3.26Å; D30-C34 WeakPolarHBondContact O-CA 3.28Å; D30-C34 PolarHBondContact O-N 2.85Å; D30-C34 PolarHBondContact O-SG 3.5Å; C34-L36 PolarHBondContact O-N 3.47Å; C34-F133 HydrophobicContact CB-CD1 3.68Å; C34-F133 HydrophobicContact CB-CE1 3.89Å; C34-F133 WeakPolarHBondContact O-CA 3.5Å; C34-H134 PolarHBondContact O-N 3.05Å
35T85Confident84.9Confident11 Ų1136.7 Ų36.77%0.06719%0.191CC..EExtended strand (participates in β ladder)trans-78.9111.6176.6-60.20000110.9N29 N33 K37 H134 A136 T139N29-T35 PolarHBondContact ND2-OG1 2.72Å; N29-T35 VanDerWaalsContact ND2-OG1 3.13Å; N29-T35 WeakPolarHBondContact OD1-CB 2.8Å; N29-T35 PolarHBondContact OD1-N 2.78Å; N29-T35 PolarHBondContact OD1-OG1 3.07Å; N33-T35 PolarHBondContact O-N 3.38Å; T35-K37 PolarHBondContact O-N 2.92Å; T35-H134 CarbonylContact C-O 3.57Å; T35-H134 WeakPolarHBondContact CA-O 3.22Å; T35-A136 HydrophobicContact CG2-CB 3.83Å; T35-T139 HydrophobicContact CG2-CG2 4.05Å
36L90.6Very high85.2Confident15 Ų1536.6 Ų36.68%0.07919%0.19CC..EExtended strand (participates in β ladder)trans-83.7102.1168-61.1-178.2000108.8C34 R38 T42 I112 F133 H134 I135 A136C34-L36 PolarHBondContact O-N 3.47Å; L36-R38 PolarHBondContact O-N 2.74Å; L36-T42 HydrophobicContact CD2-CG2 3.84Å; L36-I112 HydrophobicContact CD1-CD1 4.31Å; L36-F133 HydrophobicContact CD1-CB 3.74Å; L36-F133 HydrophobicContact CD1-CD1 3.91Å; L36-F133 HydrophobicContact CD1-CD2 4.28Å; L36-F133 HydrophobicContact CD1-CG 3.73Å; L36-F133 HydrophobicContact CD2-CD1 3.77Å; L36-F133 HydrophobicContact CD2-CE1 4.09Å; L36-F133 HydrophobicContact CD2-CG 4.45Å; L36-F133 HydrophobicContact CG-CB 3.95Å; L36-F133 HydrophobicContact CG-CD1 3.71Å; L36-F133 HydrophobicContact CG-CE1 4.49Å; L36-F133 HydrophobicContact CG-CG 3.98Å; L36-H134 PolarHBondContact N-O 3.12Å; L36-I135 HydrophobicContact CB-CG1 4.17Å; L36-I135 WeakPolarHBondContact O-CA 3.08Å; L36-A136 PolarHBondContact O-N 3.25Å
37K89.8Confident85.5Confident90 Ų9036.5 Ų36.539%0.39119%0.187SC..EExtended strand (participates in β ladder)trans-66.4128.4-179.6-175.1177177.4176.60110.7T35 G39 G40 T103 A136 D137 T139T35-K37 PolarHBondContact O-N 2.92Å; K37-G39 PolarHBondContact O-N 3.2Å; K37-G40 VanDerWaalsContact O-CA 3.32Å; K37-G40 WeakPolarHBondContact O-CA 3.3Å; K37-G40 PolarHBondContact O-N 2.91Å; K37-T103 WeakPolarHBondContact O-CB 3.22Å; K37-A136 CarbonylContact C-O 3.55Å; K37-A136 WeakPolarHBondContact CA-O 3.49Å; K37-D137 VanDerWaalsContact CE-O 3.24Å; K37-D137 WeakPolarHBondContact CE-O 3.4Å; K37-D137 WeakPolarHBondContact CG-O 3.41Å; K37-T139 HydrophobicContact CB-CG2 4.35Å
38R92.2Very high85.9Confident58 Ų5835.2 Ų35.222%0.21918%0.179CC..THydrogen-bonded Turntrans-57.1130.3170.4-80.2165.7159.3-153.5-9.9111.4L36 G40 A107 I135 A136 D137L36-R38 PolarHBondContact O-N 2.74Å; R38-G40 PolarHBondContact O-N 3.35Å; R38-A107 PolarHBondContact NE-O 2.84Å; R38-A107 PolarHBondContact NH2-O 3.14Å; R38-I135 HydrophobicContact CG-CG2 3.75Å; R38-A136 PolarHBondContact N-O 3.02Å; R38-D137 WeakPolarHBondContact CD-OD1 3.42Å; R38-D137 IonicContact CZ-OD1 3.47Å; R38-D137 IonicContact NE-OD1 2.74Å; R38-D137 IonicContact NH1-OD1 3.86Å; R38-D137 PolarHBondContact NH1-OD1 2.93Å
39G91.9Very high86.4Confident27 Ų2735.4 Ų35.428%0.27818%0.181SC..THydrogen-bonded Turntrans71.13.4-172.200000114.3K37 H102 T103K37-G39 PolarHBondContact O-N 3.2Å; G39-H102 PolarHBondContact O-CE1 3.37Å; G39-H102 VanDerWaalsContact O-CE1 3.31Å; G39-T103 WeakPolarHBondContact CA-O 3.49Å; G39-T103 PolarHBondContact N-O 3.01Å
40G90.7Very high87.4Confident15 Ų1533 Ų3316%0.15517%0.168CC..  trans-88.5156.6179.200000112.8K37 R38 H102 T103K37-G40 VanDerWaalsContact O-CA 3.32Å; K37-G40 WeakPolarHBondContact O-CA 3.3Å; K37-G40 PolarHBondContact O-N 2.91Å; R38-G40 PolarHBondContact O-N 3.35Å; G40-H102 PolarHBondContact O-ND1 3.36Å; G40-T103 PolarHBondContact O-N 3Å
41N92.3Very high88.7Confident115 Ų11538 Ų3862%0.61518%0.182SC*.EExtended strand (participates in β ladder)trans-98.8138169.5-68.1-29.8000109.5P27 L101 H102P27-N41 WeakPolarHBondContact CD-O 3.46Å; N41-L101 WeakPolarHBondContact CA-O 2.91Å; N41-H102 PolarHBondContact OD1-ND1 3.08Å
42T91Very high90Very high4 Ų442.2 Ų42.23%0.02520%0.2CC..EExtended strand (participates in β ladder)trans-127.5139.1177.1-59.40000108.9V25 H26 L36 L101V25-T42 HydrophobicContact CG1-CG2 3.32Å; H26-T42 CarbonylContact O-C 3.56Å; H26-T42 WeakPolarHBondContact O-CA 3.35Å; L36-T42 HydrophobicContact CD2-CG2 3.84Å; T42-L101 PolarHBondContact N-O 2.83Å; T42-L101 PolarHBondContact O-N 2.66Å
43T92.4Very high91.4Very high22 Ų2242.7 Ų42.714%0.13521%0.209CC..EExtended strand (participates in β ladder)trans-114.7118.1175.4-55.50000107.9V25 H26 R45 I98 Q99V25-T43 CarbonylContact C-O 3.55Å; V25-T43 WeakPolarHBondContact CA-O 3.47Å; H26-T43 PolarHBondContact N-O 3.48Å; H26-T43 PolarHBondContact O-N 2.74Å; T43-R45 HydrophobicContact CG2-CG 4.22Å; T43-I98 HydrophobicContact CG2-CG2 3.66Å; T43-Q99 CarbonylContact C-O 3.6Å; T43-Q99 WeakPolarHBondContact CA-O 3.37Å
44L92.8Very high92.5Very high12 Ų1240.5 Ų40.56%0.06320%0.198CC..EExtended strand (participates in β ladder)trans-91.9131169.8171.169.6000108I23 E24 V25 I46 I98 Q99 F116I23-L44 HydrophobicContact CG2-CD1 3.39Å; E24-L44 CarbonylContact O-C 3.57Å; E24-L44 WeakPolarHBondContact O-CA 3.27Å; V25-L44 HydrophobicContact CG2-CD1 3.8Å; L44-I46 HydrophobicContact CD1-CG1 4.28Å; L44-I46 HydrophobicContact CD2-CD1 4.22Å; L44-I46 HydrophobicContact CG-CD1 4.44Å; L44-I46 HydrophobicContact CG-CG1 4.2Å; L44-I98 CarbonylContact O-C 3.55Å; L44-I98 WeakPolarHBondContact O-CA 3.41Å; L44-Q99 HydrophobicContact CB-CB 4.22Å; L44-Q99 HydrophobicContact CD2-CB 4.34Å; L44-Q99 PolarHBondContact N-O 2.91Å; L44-Q99 PolarHBondContact O-N 2.76Å; L44-F116 HydrophobicContact CD2-CD1 4.09Å; L44-F116 HydrophobicContact CD2-CD2 4.01Å; L44-F116 HydrophobicContact CD2-CE1 4.08Å; L44-F116 HydrophobicContact CD2-CE2 4Å; L44-F116 HydrophobicContact CD2-CG 4.07Å; L44-F116 HydrophobicContact CD2-CZ 4.05Å
45R94.1Very high93.1Very high67 Ų6744.5 Ų44.525%0.25322%0.222SC..EExtended strand (participates in β ladder)trans-123.2135.8169.8-55.7-176.6173.8844109.9W22 I23 E24 T43 I96 Y97 I98W22-R45 HydrophobicContact CH2-CB 4.33Å; W22-R45 HydrophobicContact CZ3-CB 3.83Å; I23-R45 CarbonylContact C-O 3.57Å; I23-R45 WeakPolarHBondContact CA-O 3.2Å; E24-R45 HydrophobicContact CB-CB 4.19Å; E24-R45 PolarHBondContact N-O 2.78Å; E24-R45 PolarHBondContact O-N 2.9Å; E24-R45 IonicContact OE1-CZ 3.71Å; E24-R45 IonicContact OE1-NH1 3.89Å; E24-R45 PolarHBondContact OE1-NH1 3.24Å; T43-R45 HydrophobicContact CG2-CG 4.22Å; R45-I96 HydrophobicContact CB-CG2 4.15Å; R45-Y97 CarbonylContact C-O 3.59Å; R45-Y97 WeakPolarHBondContact CA-O 3.35Å; R45-I98 HydrophobicContact CG-CG1 4.24Å; R45-I98 HydrophobicContact CG-CG2 4.47Å
46I93.1Very high93.7Very high0 Ų047.5 Ų47.50%024%0.238CC..EExtended strand (participates in β ladder)trans-126.6118.5178.8-55.6177.1000107.5I20 I23 L44 F48 I96 Y97 F116 V127I20-I46 HydrophobicContact CG2-CG2 4.41Å; I23-I46 HydrophobicContact CD1-CD1 4.44Å; I23-I46 HydrophobicContact CD1-CG1 4.31Å; I23-I46 HydrophobicContact CD1-CG2 4.48Å; I23-I46 HydrophobicContact CG1-CG1 4.21Å; I23-I46 HydrophobicContact CG1-CG2 4.18Å; I23-I46 HydrophobicContact CG2-CG1 4.19Å; L44-I46 HydrophobicContact CD1-CG1 4.28Å; L44-I46 HydrophobicContact CD2-CD1 4.22Å; L44-I46 HydrophobicContact CG-CD1 4.44Å; L44-I46 HydrophobicContact CG-CG1 4.2Å; I46-F48 HydrophobicContact CG2-CD1 3.99Å; I46-I96 WeakPolarHBondContact O-CA 3.43Å; I46-Y97 HydrophobicContact CD1-CD1 4.2Å; I46-Y97 HydrophobicContact CG1-CD1 4.41Å; I46-Y97 PolarHBondContact N-O 3.5Å; I46-Y97 PolarHBondContact O-N 3.48Å; I46-F116 HydrophobicContact CD1-CD1 3.63Å; I46-F116 HydrophobicContact CD1-CE1 3.68Å; I46-V127 HydrophobicContact CD1-CG1 4.31Å; I46-V127 HydrophobicContact CG2-CG1 4.34Å
47R93.6Very high94.1Very high61 Ų6146.8 Ų46.823%0.2323%0.234CC..EExtended strand (participates in β ladder)trans-96122.2170.8-168.6174.5-169.2165-1.5109.7M21 W22 V95 I96M21-R47 HydrophobicContact CB-CB 4.36Å; M21-R47 HydrophobicContact CB-CG 4.34Å; M21-R47 PolarHBondContact N-O 3.27Å; M21-R47 HydrophobicContact SD-CG 3.82Å; W22-R47 HydrophobicContact CD2-CB 3.51Å; W22-R47 VanDerWaalsContact CE2-CD 3.47Å; W22-R47 HydrophobicContact CE3-CB 3.95Å; W22-R47 HydrophobicContact CG-CB 4.01Å; W22-R47 HydrophobicContact CH2-CB 3.96Å; W22-R47 HydrophobicContact CZ2-CB 3.54Å; W22-R47 HydrophobicContact CZ2-CG 4.16Å; W22-R47 HydrophobicContact CZ3-CB 4.14Å; W22-R47 PolarHBondContact N-O 3.37Å; W22-R47 PolarHBondContact O-N 2.78Å; R47-V95 VanDerWaalsContact CA-O 3.32Å; R47-V95 WeakPolarHBondContact CA-O 3.2Å; R47-I96 HydrophobicContact CB-CG1 4.12Å; R47-I96 HydrophobicContact CG-CG1 3.92Å
48F93.9Very high94.5Very high0 Ų045.4 Ų45.40%023%0.233CC..EExtended strand (participates in β ladder)trans-147.6165.4-178.969.4-86.2000111.5A18 E19 I46 L85 L89 R94 V95 L118 L126 V127A18-F48 HydrophobicContact CB-CB 4.3Å; A18-F48 HydrophobicContact CB-CD2 3.68Å; A18-F48 HydrophobicContact CB-CE2 4.48Å; A18-F48 HydrophobicContact CB-CG 4.37Å; E19-F48 CarbonylContact O-C 3.53Å; E19-F48 WeakPolarHBondContact O-CA 3.16Å; E19-F48 WeakPolarHBondContact O-CB 3.27Å; I46-F48 HydrophobicContact CG2-CD1 3.99Å; F48-L85 HydrophobicContact CE1-CD1 4.49Å; F48-L85 HydrophobicContact CZ-CD1 4.23Å; F48-L89 HydrophobicContact CE2-CD1 3.98Å; F48-L89 HydrophobicContact CZ-CD1 3.94Å; F48-R94 WeakPolarHBondContact O-CA 3.48Å; F48-V95 HydrophobicContact CD1-CG2 4.27Å; F48-V95 HydrophobicContact CD2-CG2 4.18Å; F48-V95 HydrophobicContact CE1-CG2 3.88Å; F48-V95 HydrophobicContact CE2-CG2 3.77Å; F48-V95 HydrophobicContact CG-CG2 4.42Å; F48-V95 HydrophobicContact CZ-CG2 3.62Å; F48-V95 PolarHBondContact N-O 3.33Å; F48-V95 PolarHBondContact O-N 2.94Å; F48-L118 HydrophobicContact CE1-CD1 3.83Å; F48-L118 HydrophobicContact CZ-CD1 4.13Å; F48-L126 HydrophobicContact CE2-CD2 3.68Å; F48-L126 HydrophobicContact CE2-CG 4.13Å; F48-L126 HydrophobicContact CZ-CD2 4.04Å; F48-V127 HydrophobicContact CB-CG2 4.24Å; F48-V127 HydrophobicContact CD1-CG2 4.09Å; F48-V127 HydrophobicContact CD2-CG2 4.15Å; F48-V127 HydrophobicContact CE1-CG2 4.49Å; F48-V127 HydrophobicContact CG-CG2 3.9Å
49A92.5Very high94.7Very high8 Ų842.8 Ų42.87%0.06622%0.224CC..EExtended strand (participates in β ladder)trans-125.2120.9170.900000109.8A18 E19 R94A18-A49 WeakPolarHBondContact CA-O 3.49Å; A18-A49 WeakPolarHBondContact CB-O 3.28Å; E19-A49 PolarHBondContact N-O 2.88Å; E19-A49 PolarHBondContact O-N 2.88Å; A49-R94 HydrophobicContact CB-CG 4.34Å
50P96Very high95Very high1 Ų143.3 Ų43.31%0.00622%0.222CC..  trans-72.1148.317833.4-35.6000110.3V54 L89 Q90 P91 K92 K93 L126P50-V54 HydrophobicContact CB-CG2 3.96Å; P50-L89 HydrophobicContact CG-CB 4.06Å; P50-L89 HydrophobicContact CG-CD1 4.47Å; P50-Q90 VanDerWaalsContact CG-O 3.29Å; P50-Q90 WeakPolarHBondContact CG-O 3.25Å; P50-P91 CarbonylContact O-C 3.46Å; P50-P91 WeakPolarHBondContact O-CA 3.23Å; P50-K92 PolarHBondContact O-N 2.8Å; P50-K93 VanDerWaalsContact CD-O 3.28Å; P50-K93 WeakPolarHBondContact CD-O 3.25Å; P50-L126 HydrophobicContact CB-CD1 3.92Å
51R95.1Very high95.3Very high171 Ų17143.2 Ų43.265%0.64522%0.218SC*.SBendtrans-85.4-19.6176.4-68.4-177.6-175.6159.74.2113.6R17R17-R51 WeakPolarHBondContact O-CD 3.12Å; R17-R51 VanDerWaalsContact O-CG 3.28Å; R17-R51 WeakPolarHBondContact O-CG 3.17Å; R17-R51 PolarHBondContact O-NE 2.76Å
52E95.1Very high95.5Very high98 Ų9839.7 Ų39.746%0.45820%0.197SC..SBendtrans-134.2167.6-175.7-69.4166.4-14000109.1R17 V54R17-E52 IonicContact CZ-OE1 3.02Å; R17-E52 IonicContact NH2-OE1 3.82Å; R17-E52 PolarHBondContact NH2-OE1 2.61Å; R17-E52 IonicContact NH2-OE2 3.45Å; R17-E52 PolarHBondContact NH2-OE2 2.83Å; E52-V54 PolarHBondContact O-N 2.84Å
53T97.4Very high95.6Very high73 Ų7340 Ų4045%0.44820%0.199SC..  trans-67.4131.8175.8-57.70000109.9T55 P88 L89 Q121T53-T55 HydrophobicContact CG2-CG2 4.41Å; T53-P88 HydrophobicContact CG2-CB 4.23Å; T53-L89 WeakPolarHBondContact CA-O 3.34Å; T53-Q121 PolarHBondContact O-NE2 3.36Å; T53-Q121 VanDerWaalsContact O-NE2 3.14Å
54V97.8Very high95.3Very high3 Ų342.2 Ų42.22%0.01821%0.207CC..BIsolated β-bridgetrans-118.1111.9178.9-177.40000109.3P50 E52 N56 I57 P88 L89 D120 Q121 L126P50-V54 HydrophobicContact CB-CG2 3.96Å; E52-V54 PolarHBondContact O-N 2.84Å; V54-N56 VanDerWaalsContact CG1-O 3.29Å; V54-N56 WeakPolarHBondContact CG1-O 3.2Å; V54-I57 HydrophobicContact CG1-CD1 4Å; V54-I57 HydrophobicContact CG1-CG1 3.5Å; V54-I57 VanDerWaalsContact CG1-CG1 3.5Å; V54-P88 CarbonylContact O-C 3.53Å; V54-P88 VanDerWaalsContact O-CA 3.22Å; V54-P88 WeakPolarHBondContact O-CA 3.33Å; V54-L89 HydrophobicContact CB-CB 4.1Å; V54-L89 HydrophobicContact CB-CD1 4.35Å; V54-L89 HydrophobicContact CB-CG 4.29Å; V54-L89 PolarHBondContact N-O 3.3Å; V54-L89 PolarHBondContact O-N 2.86Å; V54-D120 HydrophobicContact CG1-CB 4.21Å; V54-Q121 VanDerWaalsContact CA-OE1 3.3Å; V54-L126 HydrophobicContact CG1-CD2 4.11Å; V54-L126 HydrophobicContact CG2-CD1 3.83Å; V54-L126 HydrophobicContact CG2-CD2 3.95Å
55T97.7Very high94.8Very high84 Ų8446 Ų4652%0.51522%0.223SC..SBendtrans-92.3-25.3-176.155.60000112.9T53 C87 P88 Q121T53-T55 HydrophobicContact CG2-CG2 4.41Å; T55-C87 WeakPolarHBondContact O-CB 3.5Å; T55-P88 HydrophobicContact CG2-CB 4.23Å; T55-Q121 WeakPolarHBondContact OG1-CB 3.41Å
56N97.8Very high93.6Very high73 Ų7351.5 Ų51.539%0.3924%0.244SC..  trans-143.1148.5178.1-166.46.6000110.3V54 D120 Q121V54-N56 VanDerWaalsContact CG1-O 3.29Å; V54-N56 WeakPolarHBondContact CG1-O 3.2Å; N56-D120 CarbonylContact O-C 3.59Å; N56-D120 WeakPolarHBondContact O-CA 3.43Å; N56-Q121 HydrophobicContact CB-CB 4.2Å; N56-Q121 PolarHBondContact O-N 3.24Å
57I98.1Very high92.7Very high0 Ų060.8 Ų60.80%028%0.28CS..  trans-133.9129.3179-61.8174.3000109.2V54 G79 C80 L85 L89 L118 R119 L126V54-I57 HydrophobicContact CG1-CD1 4Å; V54-I57 HydrophobicContact CG1-CG1 3.5Å; V54-I57 VanDerWaalsContact CG1-CG1 3.5Å; I57-G79 PolarHBondContact O-N 2.78Å; I57-C80 PolarHBondContact N-SG 2.82Å; I57-C80 VanDerWaalsContact N-SG 3.41Å; I57-L85 HydrophobicContact CD1-CD1 3.55Å; I57-L89 HydrophobicContact CD1-CD1 3.58Å; I57-L89 HydrophobicContact CD1-CG 4.17Å; I57-L118 HydrophobicContact CG2-CB 3.93Å; I57-L118 HydrophobicContact CG2-CD2 3.9Å; I57-L118 HydrophobicContact CG2-CG 4.36Å; I57-R119 CarbonylContact C-O 3.43Å; I57-R119 VanDerWaalsContact CA-O 3.26Å; I57-R119 WeakPolarHBondContact CA-O 3.32Å; I57-L126 HydrophobicContact CD1-CD2 4.16Å; I57-L126 HydrophobicContact CG1-CD2 4.41Å
58T98.2Very high92.3Very high61 Ų6165.1 Ų65.137%0.37430%0.303SS..EExtended strand (participates in β ladder)trans-114.5120.6170.4-55.60000110.1V60 P77 R119T58-V60 HydrophobicContact CG2-CG2 4.3Å; T58-P77 CarbonylContact C-O 3.59Å; T58-P77 WeakPolarHBondContact CA-O 3.42Å; T58-R119 PolarHBondContact N-O 3.19Å; T58-R119 PolarHBondContact O-N 3.28Å
59A98Very high92.1Very high4 Ų468.6 Ų68.63%0.03332%0.317CS..EExtended strand (participates in β ladder)trans-81.8129.2173.700000110.5L74 P77 Y97 F116 Q117 L118A59-L74 HydrophobicContact CB-CD1 3.64Å; A59-P77 PolarHBondContact N-O 2.89Å; A59-Y97 VanDerWaalsContact CB-OH 3.29Å; A59-Y97 WeakPolarHBondContact CB-OH 3.37Å; A59-F116 HydrophobicContact CB-CZ 4.19Å; A59-Q117 WeakPolarHBondContact CA-O 3.4Å; A59-L118 HydrophobicContact CB-CD2 3.95Å
60V97.5Very high92.1Very high37 Ų3773.1 Ų73.122%0.22434%0.336CS..EExtended strand (participates in β ladder)trans-128131.4178.5-178.50000108.5T58 Q117T58-V60 HydrophobicContact CG2-CG2 4.3Å; V60-Q117 HydrophobicContact CB-CB 4.24Å; V60-Q117 PolarHBondContact N-O 2.9Å; V60-Q117 PolarHBondContact O-N 3.33Å
61M96.7Very high92Very high14 Ų1478.3 Ų78.37%0.06937%0.37CS..EExtended strand (participates in β ladder)trans-123.9132.7176.6-167.4163.870.300110Y72 L74 L101 V114 R115 F116M61-Y72 HydrophobicContact CE-CD1 3Å; M61-Y72 HydrophobicContact CE-CD2 4.43Å; M61-Y72 HydrophobicContact CE-CE1 3.54Å; M61-Y72 HydrophobicContact CE-CG 3.51Å; M61-Y72 PolarHBondContact O-N 3.41Å; M61-L74 HydrophobicContact CB-CD1 4.2Å; M61-L74 HydrophobicContact CB-CD2 4.05Å; M61-L74 HydrophobicContact CB-CG 4.1Å; M61-L74 HydrophobicContact CE-CD2 3.62Å; M61-L74 HydrophobicContact SD-CD2 4.12Å; M61-L101 HydrophobicContact CE-CD2 3.99Å; M61-L101 HydrophobicContact SD-CD1 4.33Å; M61-L101 HydrophobicContact SD-CD2 4.37Å; M61-V114 HydrophobicContact CG-CG1 3.69Å; M61-V114 HydrophobicContact SD-CG1 3.86Å; M61-R115 WeakPolarHBondContact CA-O 3.49Å; M61-F116 HydrophobicContact CB-CD2 4.25Å; M61-F116 HydrophobicContact CG-CD2 4.23Å; M61-F116 HydrophobicContact SD-CD2 4.22Å
62Q96Very high91.9Very high41 Ų4174.2 Ų74.219%0.19236%0.355CS..EExtended strand (participates in β ladder)trans-123.6142.6170.1-48.8-178.6-73.600108.9Y69 E70 V114 R115Q62-Y69 HydrophobicContact CB-CD1 4.03Å; Q62-E70 CarbonylContact C-O 3.53Å; Q62-E70 VanDerWaalsContact CA-O 3.22Å; Q62-E70 WeakPolarHBondContact CA-O 3.04Å; Q62-V114 CarbonylContact O-C 3.52Å; Q62-V114 WeakPolarHBondContact O-CA 3.39Å; Q62-R115 HydrophobicContact CB-CB 4.2Å; Q62-R115 PolarHBondContact N-O 2.9Å; Q62-R115 PolarHBondContact O-N 2.83Å; Q62-R115 VanDerWaalsContact OE1-NH1 3.11Å
63V92.9Very high91.8Very high11 Ų1174.5 Ų74.57%0.06737%0.366CS..EExtended strand (participates in β ladder)trans-120.7124.3-177.81800000108.5K65 E70 Y72 I112 V114V63-K65 HydrophobicContact CG1-CG 4.26Å; V63-E70 PolarHBondContact N-O 2.03Å; V63-E70 PolarHBondContact O-N 2.91Å; V63-Y72 HydrophobicContact CG2-CD2 3.97Å; V63-Y72 HydrophobicContact CG2-CG 4.09Å; V63-I112 HydrophobicContact CG1-CB 3.93Å; V63-I112 HydrophobicContact CG1-CD1 3.93Å; V63-I112 HydrophobicContact CG1-CG1 4.47Å; V63-I112 HydrophobicContact CG1-CG2 4.02Å; V63-V114 HydrophobicContact CG2-CG2 4.3Å
64K87.9Confident91.6Very high67 Ų6772.1 Ų72.129%0.29135%0.35SS..EExtended strand (participates in β ladder)trans-93.8116.8172.1-179173.6-179169.90110.6R66 Y67 E68 Y69 V113K64-R66 WeakPolarHBondContact CE-O 3.2Å; K64-Y67 WeakPolarHBondContact CE-O 3.25Å; K64-E68 VanDerWaalsContact CA-O 3.27Å; K64-E68 WeakPolarHBondContact CA-O 3.09Å; K64-Y69 HydrophobicContact CB-CD1 3.63Å; K64-Y69 HydrophobicContact CB-CD2 4.19Å; K64-Y69 HydrophobicContact CB-CE1 3.54Å; K64-Y69 HydrophobicContact CB-CE2 4.12Å; K64-Y69 HydrophobicContact CB-CG 3.94Å; K64-Y69 HydrophobicContact CD-CD2 4.1Å; K64-Y69 HydrophobicContact CD-CE1 4.46Å; K64-Y69 HydrophobicContact CD-CE2 3.64Å; K64-Y69 HydrophobicContact CG-CE2 4.41Å; K64-V113 HydrophobicContact CB-CB 4.32Å; K64-V113 PolarHBondContact N-O 2.82Å; K64-V113 PolarHBondContact O-N 2.79Å
65K81.9Confident91.3Very high92 Ų9279.5 Ų79.540%0.439%0.389SS..EExtended strand (participates in β ladder)trans-108.9109.5169-58.7173-164.5146.40107.2V63 Y67 E70 I112V63-K65 HydrophobicContact CG1-CG 4.26Å; K65-Y67 PolarHBondContact O-N 3.41Å; K65-E70 IonicContact NZ-OE2 3.19Å; K65-E70 PolarHBondContact NZ-OE2 3.37Å; K65-I112 HydrophobicContact CG-CG2 4.18Å
66R68.9Low91.1Very high182 Ų18277.4 Ų77.469%0.68738%0.375SS*.THydrogen-bonded Turntrans64.3-82.6-173.3-53.3-179.7-173.7-150.91.2114.4K64K64-R66 WeakPolarHBondContact CE-O 3.2Å
67Y74Confident91Very high195 Ų19577 Ų7777%0.76538%0.376SS*.THydrogen-bonded Turntrans-112.6-38.2-162.6-58.6-69000114.9K64 K65K64-Y67 WeakPolarHBondContact CE-O 3.25Å; K65-Y67 PolarHBondContact O-N 3.41Å
68E84.2Confident90.9Very high153 Ų15380.1 Ų80.172%0.71539%0.393SS*.EExtended strand (participates in β ladder)trans-123.7152.8-172.5-68.7-176-178.100112.9K64K64-E68 VanDerWaalsContact CA-O 3.27Å; K64-E68 WeakPolarHBondContact CA-O 3.09Å
69Y90.3Very high90.8Very high73 Ų7377.2 Ų77.229%0.28638%0.375SS..EExtended strand (participates in β ladder)trans-87.7118.2174.2-77.6-86000110.4Q62 K64 V113 R115 Y130Q62-Y69 HydrophobicContact CB-CD1 4.03Å; K64-Y69 HydrophobicContact CB-CD1 3.63Å; K64-Y69 HydrophobicContact CB-CD2 4.19Å; K64-Y69 HydrophobicContact CB-CE1 3.54Å; K64-Y69 HydrophobicContact CB-CE2 4.12Å; K64-Y69 HydrophobicContact CB-CG 3.94Å; K64-Y69 HydrophobicContact CD-CD2 4.1Å; K64-Y69 HydrophobicContact CD-CE1 4.46Å; K64-Y69 HydrophobicContact CD-CE2 3.64Å; K64-Y69 HydrophobicContact CG-CE2 4.41Å; Y69-V113 HydrophobicContact CE1-CG1 4.5Å; Y69-V113 WeakPolarHBondContact OH-CG1 2.93Å; Y69-R115 HydrophobicContact CD1-CB 4.12Å; Y69-R115 HydrophobicContact CE1-CB 3.9Å; Y69-Y130 HydrophobicContact CE1-CD1 4.05Å; Y69-Y130 AromaticContact CE1-CE1 3.83Å; Y69-Y130 HydrophobicContact CE1-CE1 3.83Å; Y69-Y130 HydrophobicContact CE2-CE1 4.11Å; Y69-Y130 AromaticContact CZ-CD1 3.82Å; Y69-Y130 AromaticContact CZ-CE1 3.46Å; Y69-Y130 VanDerWaalsContact CZ-CE1 3.46Å; Y69-Y130 VanDerWaalsContact OH-CD1 3.25Å; Y69-Y130 WeakPolarHBondContact OH-CD1 3.34Å; Y69-Y130 VanDerWaalsContact OH-CE1 3.23Å; Y69-Y130 WeakPolarHBondContact OH-CE1 3.03Å
70E92Very high90.7Very high103 Ų10378.5 Ų78.548%0.48138%0.383SS..EExtended strand (participates in β ladder)trans-99.9140.6173.7-65.3176.1168.900110.2Q62 V63 K65 Y72Q62-E70 CarbonylContact C-O 3.53Å; Q62-E70 VanDerWaalsContact CA-O 3.22Å; Q62-E70 WeakPolarHBondContact CA-O 3.04Å; V63-E70 PolarHBondContact N-O 2.03Å; V63-E70 PolarHBondContact O-N 2.91Å; K65-E70 IonicContact NZ-OE2 3.19Å; K65-E70 PolarHBondContact NZ-OE2 3.37Å; E70-Y72 PolarHBondContact O-N 2.87Å
71P94.5Very high90.6Very high109 Ų10982.5 Ų82.571%0.70840%0.398SS*.EExtended strand (participates in β ladder)trans-58135.4170.2-22.833.4000111.9
72Y93.4Very high90.5Very high86 Ų8687.7 Ų87.734%0.33743%0.426SS..EExtended strand (participates in β ladder)trans-114.9113.1170.8-169.6-78.2000109.8M61 V63 E70 L74M61-Y72 HydrophobicContact CE-CD1 3Å; M61-Y72 HydrophobicContact CE-CD2 4.43Å; M61-Y72 HydrophobicContact CE-CE1 3.54Å; M61-Y72 HydrophobicContact CE-CG 3.51Å; M61-Y72 PolarHBondContact O-N 3.41Å; V63-Y72 HydrophobicContact CG2-CD2 3.97Å; V63-Y72 HydrophobicContact CG2-CG 4.09Å; E70-Y72 PolarHBondContact O-N 2.87Å; Y72-L74 PolarHBondContact O-N 2.88Å
73P93Very high90.4Very high104 Ų10485.8 Ų85.868%0.67542%0.417SS*.  trans-66.6126.5-178.525-31.2000110.9
74L93.7Very high90.4Very high22 Ų2288.2 Ų88.212%0.11544%0.444CS..  trans-88.8140.6173.1-65.1174.2000109.7A59 M61 Y72 N76 L101 F116A59-L74 HydrophobicContact CB-CD1 3.64Å; M61-L74 HydrophobicContact CB-CD1 4.2Å; M61-L74 HydrophobicContact CB-CD2 4.05Å; M61-L74 HydrophobicContact CB-CG 4.1Å; M61-L74 HydrophobicContact CE-CD2 3.62Å; M61-L74 HydrophobicContact SD-CD2 4.12Å; Y72-L74 PolarHBondContact O-N 2.88Å; L74-N76 PolarHBondContact O-N 2.77Å; L74-L101 HydrophobicContact CD2-CD2 3.6Å; L74-F116 HydrophobicContact CD1-CE2 4.12Å
75N91Very high90.8Very high159 Ų15985.5 Ų85.585%0.8543%0.433SS*.SBendtrans-63.2-29175.8-66.4-9.9000112.4
76N93.1Very high91.4Very high40 Ų4087.1 Ų87.121%0.21445%0.45CS..  trans-133.194175.6179.723.3000109.5L74 N78 K81 Q99L74-N76 PolarHBondContact O-N 2.77Å; N76-N78 VanDerWaalsContact C-N 3.33Å; N76-N78 PolarHBondContact OD1-N 3.05Å; N76-N78 PolarHBondContact OD1-O 2.89Å; N76-K81 PolarHBondContact ND2-O 3.47Å; N76-Q99 PolarHBondContact O-OE1 2.86Å
77P96Very high92.7Very high64 Ų6480 Ų8042%0.41643%0.428SS..  trans-80.2-12.3175.231.5-33.7000112.8T58 A59 G79T58-P77 CarbonylContact C-O 3.59Å; T58-P77 WeakPolarHBondContact CA-O 3.42Å; A59-P77 PolarHBondContact N-O 2.89Å; P77-G79 PolarHBondContact O-N 2.88Å
78N96.6Very high93.8Very high65 Ų6574.9 Ų74.935%0.34842%0.419SS..BIsolated β-bridgetrans-81.1104.7179.5-174.4-28.2000110N76 C80 K81N76-N78 VanDerWaalsContact C-N 3.33Å; N76-N78 PolarHBondContact OD1-N 3.05Å; N76-N78 PolarHBondContact OD1-O 2.89Å; N78-C80 PolarHBondContact O-N 3.05Å; N78-C80 WeakPolarHBondContact OD1-CA 3.5Å; N78-C80 WeakPolarHBondContact OD1-CB 3.47Å; N78-C80 PolarHBondContact OD1-N 3.31Å; N78-K81 HydrophobicContact CB-CB 4.22Å; N78-K81 PolarHBondContact O-N 2.85Å; N78-K81 PolarHBondContact OD1-N 3.32Å
79G95.9Very high94.4Very high0 Ų067.9 Ų67.90%039%0.386CS..THydrogen-bonded Turntrans-73-8.8-177.900000114.6I57 P77 S83I57-G79 PolarHBondContact O-N 2.78Å; P77-G79 PolarHBondContact O-N 2.88Å; G79-S83 WeakPolarHBondContact O-CB 3.25Å; G79-S83 PolarHBondContact O-OG 3.07Å
80C95.9Very high94.7Very high31 Ų3170.3 Ų70.321%0.20940%0.4CS..THydrogen-bonded Turntrans-96.82.8173.9-62.50000113.2I57 N78 C87I57-C80 PolarHBondContact N-SG 2.82Å; I57-C80 VanDerWaalsContact N-SG 3.41Å; N78-C80 PolarHBondContact O-N 3.05Å; N78-C80 WeakPolarHBondContact OD1-CA 3.5Å; N78-C80 WeakPolarHBondContact OD1-CB 3.47Å; N78-C80 PolarHBondContact OD1-N 3.31Å; C80-C87 HydrophobicContact CB-CB 3.69Å; C80-C87 WeakPolarHBondContact CB-SG 3.48Å; C80-C87 WeakPolarHBondContact SG-CB 3.42Å; C80-C87 CovalentContact SG-SG 2.03Å; C80-C87 PolarHBondContact SG-SG 3.4Å
81K95.6Very high94.9Very high121 Ų12168.1 Ų68.153%0.52640%0.395SS..SBendtrans-129.5134.4-178.5-172.3178177.8179.80109.9N76 N78 S83N76-K81 PolarHBondContact ND2-O 3.47Å; N78-K81 HydrophobicContact CB-CB 4.22Å; N78-K81 PolarHBondContact O-N 2.85Å; N78-K81 PolarHBondContact OD1-N 3.32Å; K81-S83 PolarHBondContact O-N 3.16Å
82D93.3Very high94.7Very high123 Ų12371.6 Ų71.666%0.65840%0.399SS*.SBendtrans51.825.3175.1-56.5-41.9000115.4
83S94.7Very high94.7Very high2 Ų273.6 Ų73.61%0.01441%0.41CS..SBendtrans-118.21.9-172.863.70000113.5G79 K81 L85 Y97 I98G79-S83 WeakPolarHBondContact O-CB 3.25Å; G79-S83 PolarHBondContact O-OG 3.07Å; K81-S83 PolarHBondContact O-N 3.16Å; S83-L85 PolarHBondContact O-N 2.91Å; S83-L85 PolarHBondContact OG-N 2.77Å; S83-Y97 CarbonylContact O-C 3.54Å; S83-I98 WeakPolarHBondContact CA-O 3.44Å; S83-I98 WeakPolarHBondContact O-CA 3.36Å; S83-I98 WeakPolarHBondContact O-CB 3.36Å; S83-I98 PolarHBondContact O-N 3.21Å
84G93Very high94.7Very high61 Ų6173.1 Ų73.163%0.62939%0.394SS*.SBendtrans78.4-1.4-17100000114.7
85L95.9Very high94.7Very high10 Ų1073.3 Ų73.35%0.05240%0.396CS..  trans-101.4141.3174.2-58.7-175.4000111.5F48 I57 S83 L89 V95 I96 Y97F48-L85 HydrophobicContact CE1-CD1 4.49Å; F48-L85 HydrophobicContact CZ-CD1 4.23Å; I57-L85 HydrophobicContact CD1-CD1 3.55Å; S83-L85 PolarHBondContact O-N 2.91Å; S83-L85 PolarHBondContact OG-N 2.77Å; L85-L89 HydrophobicContact CB-CD2 4.36Å; L85-L89 HydrophobicContact CD1-CD1 4.36Å; L85-L89 HydrophobicContact CD2-CD2 4.43Å; L85-V95 HydrophobicContact CD2-CB 3.72Å; L85-V95 HydrophobicContact CD2-CG2 3.82Å; L85-I96 WeakPolarHBondContact CD2-O 3.39Å; L85-Y97 HydrophobicContact CD1-CD2 3.8Å; L85-Y97 HydrophobicContact CD1-CG 4.38Å; L85-Y97 HydrophobicContact CG-CD2 4.19Å
86T95.3Very high94.9Very high126 Ų12668.8 Ų68.877%0.77337%0.371SS*.  trans-115.2114.1167.6-55.70000108
87C95.5Very high95.1Very high33 Ų3367 Ų6722%0.22336%0.362CS..SBendtrans-86.3148.2178-63.30000110.8T55 C80T55-C87 WeakPolarHBondContact O-CB 3.5Å; C80-C87 HydrophobicContact CB-CB 3.69Å; C80-C87 WeakPolarHBondContact CB-SG 3.48Å; C80-C87 WeakPolarHBondContact SG-CB 3.42Å; C80-C87 CovalentContact SG-SG 2.03Å; C80-C87 PolarHBondContact SG-SG 3.4Å
88P97.4Very high95.1Very high87 Ų8765.8 Ų65.857%0.56535%0.351SS*.SBendcis-77.4142.64.531.1-34.8000114.1T53 V54 T55T53-P88 HydrophobicContact CG2-CB 4.23Å; V54-P88 CarbonylContact O-C 3.53Å; V54-P88 VanDerWaalsContact O-CA 3.22Å; V54-P88 WeakPolarHBondContact O-CA 3.33Å; T55-P88 HydrophobicContact CG2-CB 4.23Å
89L97.3Very high95Very high6 Ų663.1 Ų63.13%0.03134%0.337CS..BIsolated β-bridgetrans-78.9136.4170.4-50.7-173.5000110.2F48 P50 T53 V54 I57 L85 V95F48-L89 HydrophobicContact CE2-CD1 3.98Å; F48-L89 HydrophobicContact CZ-CD1 3.94Å; P50-L89 HydrophobicContact CG-CB 4.06Å; P50-L89 HydrophobicContact CG-CD1 4.47Å; T53-L89 WeakPolarHBondContact CA-O 3.34Å; V54-L89 HydrophobicContact CB-CB 4.1Å; V54-L89 HydrophobicContact CB-CD1 4.35Å; V54-L89 HydrophobicContact CB-CG 4.29Å; V54-L89 PolarHBondContact N-O 3.3Å; V54-L89 PolarHBondContact O-N 2.86Å; I57-L89 HydrophobicContact CD1-CD1 3.58Å; I57-L89 HydrophobicContact CD1-CG 4.17Å; L85-L89 HydrophobicContact CB-CD2 4.36Å; L85-L89 HydrophobicContact CD1-CD1 4.36Å; L85-L89 HydrophobicContact CD2-CD2 4.43Å; L89-V95 HydrophobicContact CD1-CG2 4.09Å; L89-V95 HydrophobicContact CD2-CG1 4.32Å
90Q95.9Very high94.9Very high124 Ų12471.1 Ų71.158%0.57937%0.367SS*.PPolyproline II helixtrans-88.7144.8177-68.6-168.1-13.800112.3P50 K93P50-Q90 VanDerWaalsContact CG-O 3.29Å; P50-Q90 WeakPolarHBondContact CG-O 3.25Å; Q90-K93 HydrophobicContact CB-CB 4.26Å; Q90-K93 HydrophobicContact CB-CD 4.45Å; Q90-K93 WeakPolarHBondContact O-CB 3.12Å; Q90-K93 PolarHBondContact O-N 3.23Å
91P96.1Very high94.8Very high57 Ų5771.3 Ų71.337%0.3737%0.366SS..THydrogen-bonded Turntrans-52.1142.5174.1-2431.2000112.8P50 K93P50-P91 CarbonylContact O-C 3.46Å; P50-P91 WeakPolarHBondContact O-CA 3.23Å; P91-K93 PolarHBondContact O-N 2.96Å
92K90.6Very high94.7Very high183 Ų18369.6 Ų69.680%0.79636%0.359SS*.THydrogen-bonded Turntrans60.3-2.6177.6-55.7178.5-178.6177.60115.4P50P50-K92 PolarHBondContact O-N 2.8Å
93K93.2Very high94.6Very high128 Ų12864.3 Ų64.356%0.55733%0.332SS*.  trans-79.5122.7177.3-169.1171.6-176.9172.20110.2P50 Q90 P91 V95P50-K93 VanDerWaalsContact CD-O 3.28Å; P50-K93 WeakPolarHBondContact CD-O 3.25Å; Q90-K93 HydrophobicContact CB-CB 4.26Å; Q90-K93 HydrophobicContact CB-CD 4.45Å; Q90-K93 WeakPolarHBondContact O-CB 3.12Å; Q90-K93 PolarHBondContact O-N 3.23Å; P91-K93 PolarHBondContact O-N 2.96Å; K93-V95 PolarHBondContact O-N 3.41Å
94R92.5Very high94.4Very high94 Ų9472.1 Ų72.136%0.35536%0.361SS..  trans-69.7129.4177.8-62.6173.1177.9176.20.9109.9M21 F48 A49 F293M21-R94 HydrophobicContact SD-CB 4.31Å; M21-R94 VanDerWaalsContact SD-CD 3.51Å; M21-R94 HydrophobicContact SD-CG 3.71Å; F48-R94 WeakPolarHBondContact O-CA 3.48Å; A49-R94 HydrophobicContact CB-CG 4.34Å; R94-F293 VanDerWaalsContact NH2-CE2 3.27Å
95V94.6Very high94.4Very high26 Ų2677.4 Ų77.416%0.15837%0.366CS..EExtended strand (participates in β ladder)trans-133.7161.5178.1-64.60000110.7R47 F48 L85 L89 K93R47-V95 VanDerWaalsContact CA-O 3.32Å; R47-V95 WeakPolarHBondContact CA-O 3.2Å; F48-V95 HydrophobicContact CD1-CG2 4.27Å; F48-V95 HydrophobicContact CD2-CG2 4.18Å; F48-V95 HydrophobicContact CE1-CG2 3.88Å; F48-V95 HydrophobicContact CE2-CG2 3.77Å; F48-V95 HydrophobicContact CG-CG2 4.42Å; F48-V95 HydrophobicContact CZ-CG2 3.62Å; F48-V95 PolarHBondContact N-O 3.33Å; F48-V95 PolarHBondContact O-N 2.94Å; L85-V95 HydrophobicContact CD2-CB 3.72Å; L85-V95 HydrophobicContact CD2-CG2 3.82Å; L89-V95 HydrophobicContact CD1-CG2 4.09Å; L89-V95 HydrophobicContact CD2-CG1 4.32Å; K93-V95 PolarHBondContact O-N 3.41Å
96I95Very high94.2Very high64 Ų6483 Ų8333%0.32840%0.397SS..EExtended strand (participates in β ladder)trans-122114.1177.5-59.3175.2000108.6W22 R45 I46 R47 L85 I98W22-I96 HydrophobicContact CH2-CD1 4.14Å; W22-I96 HydrophobicContact CH2-CG1 4.43Å; W22-I96 HydrophobicContact CH2-CG2 4.28Å; W22-I96 HydrophobicContact CZ2-CD1 4.11Å; R45-I96 HydrophobicContact CB-CG2 4.15Å; I46-I96 WeakPolarHBondContact O-CA 3.43Å; R47-I96 HydrophobicContact CB-CG1 4.12Å; R47-I96 HydrophobicContact CG-CG1 3.92Å; L85-I96 WeakPolarHBondContact CD2-O 3.39Å; I96-I98 HydrophobicContact CG2-CG1 4.26Å
97Y96.5Very high93.9Very high2 Ų278.2 Ų78.21%0.00837%0.369CS..EExtended strand (participates in β ladder)trans-85.6141169.5171.7-99.5000110.3R45 I46 A59 S83 L85 Q99 F116 L118R45-Y97 CarbonylContact C-O 3.59Å; R45-Y97 WeakPolarHBondContact CA-O 3.35Å; I46-Y97 HydrophobicContact CD1-CD1 4.2Å; I46-Y97 HydrophobicContact CG1-CD1 4.41Å; I46-Y97 PolarHBondContact N-O 3.5Å; I46-Y97 PolarHBondContact O-N 3.48Å; A59-Y97 VanDerWaalsContact CB-OH 3.29Å; A59-Y97 WeakPolarHBondContact CB-OH 3.37Å; S83-Y97 CarbonylContact O-C 3.54Å; L85-Y97 HydrophobicContact CD1-CD2 3.8Å; L85-Y97 HydrophobicContact CD1-CG 4.38Å; L85-Y97 HydrophobicContact CG-CD2 4.19Å; Y97-Q99 HydrophobicContact CE1-CB 3.62Å; Y97-Q99 PolarHBondContact OH-OE1 2.61Å; Y97-F116 HydrophobicContact CD1-CE1 4.28Å; Y97-F116 AromaticContact CE1-CE1 3.64Å; Y97-F116 HydrophobicContact CE1-CE1 3.64Å; Y97-F116 AromaticContact CE1-CZ 3.49Å; Y97-F116 HydrophobicContact CE1-CZ 3.49Å; Y97-F116 VanDerWaalsContact CE1-CZ 3.49Å; Y97-F116 AromaticContact CZ-CZ 3.97Å; Y97-L118 HydrophobicContact CD1-CD1 4.07Å; Y97-L118 HydrophobicContact CD1-CD2 4.17Å; Y97-L118 HydrophobicContact CD2-CD1 4.25Å; Y97-L118 HydrophobicContact CD2-CD2 4.17Å; Y97-L118 HydrophobicContact CE1-CD2 3.85Å; Y97-L118 HydrophobicContact CE2-CD2 3.85Å; Y97-L118 HydrophobicContact CG-CD1 3.88Å; Y97-L118 HydrophobicContact CG-CD2 4.31Å
98I95.8Very high93.6Very high38 Ų3881.7 Ų81.720%0.19538%0.383CS..EExtended strand (participates in β ladder)trans-127.7122.5-178-52.8-179.8000109T43 L44 R45 S83 I96T43-I98 HydrophobicContact CG2-CG2 3.66Å; L44-I98 CarbonylContact O-C 3.55Å; L44-I98 WeakPolarHBondContact O-CA 3.41Å; R45-I98 HydrophobicContact CG-CG1 4.24Å; R45-I98 HydrophobicContact CG-CG2 4.47Å; S83-I98 WeakPolarHBondContact CA-O 3.44Å; S83-I98 WeakPolarHBondContact O-CA 3.36Å; S83-I98 WeakPolarHBondContact O-CB 3.36Å; S83-I98 PolarHBondContact O-N 3.21Å; I96-I98 HydrophobicContact CG2-CG1 4.26Å
99Q94.9Very high93.3Very high10 Ų1082.9 Ų82.95%0.04738%0.379CS..EExtended strand (participates in β ladder)trans-120.1126.1172.8178.164.557.400109.9T43 L44 N76 Y97 L101 F116T43-Q99 CarbonylContact C-O 3.6Å; T43-Q99 WeakPolarHBondContact CA-O 3.37Å; L44-Q99 HydrophobicContact CB-CB 4.22Å; L44-Q99 HydrophobicContact CD2-CB 4.34Å; L44-Q99 PolarHBondContact N-O 2.91Å; L44-Q99 PolarHBondContact O-N 2.76Å; N76-Q99 PolarHBondContact O-OE1 2.86Å; Y97-Q99 HydrophobicContact CE1-CB 3.62Å; Y97-Q99 PolarHBondContact OH-OE1 2.61Å; Q99-L101 HydrophobicContact CG-CD2 3.84Å; Q99-L101 HydrophobicContact CG-CG 4.09Å; Q99-F116 HydrophobicContact CB-CZ 4.46Å; Q99-F116 HydrophobicContact CG-CE2 4.37Å; Q99-F116 HydrophobicContact CG-CZ 4.49Å
100R94.2Very high92.7Very high167 Ų16784 Ų8463%0.6339%0.385SS*.EExtended strand (participates in β ladder)trans-95.6132.1171.8-64.3-178.5178.989.7-3.5109.5
101L92.8Very high92.2Very high35 Ų3582.5 Ų82.518%0.18338%0.381CS..EExtended strand (participates in β ladder)trans-125.7143-178-61.4174.7000109.1N41 T42 M61 L74 Q99N41-L101 WeakPolarHBondContact CA-O 2.91Å; T42-L101 PolarHBondContact N-O 2.83Å; T42-L101 PolarHBondContact O-N 2.66Å; M61-L101 HydrophobicContact CE-CD2 3.99Å; M61-L101 HydrophobicContact SD-CD1 4.33Å; M61-L101 HydrophobicContact SD-CD2 4.37Å; L74-L101 HydrophobicContact CD2-CD2 3.6Å; Q99-L101 HydrophobicContact CG-CD2 3.84Å; Q99-L101 HydrophobicContact CG-CG 4.09Å
102H93.3Very high91.8Very high85 Ų8580.5 Ų80.539%0.39437%0.366SS..EExtended strand (participates in β ladder)trans-120.7122.1172.7-17772.9000109.4G39 G40 N41G39-H102 PolarHBondContact O-CE1 3.37Å; G39-H102 VanDerWaalsContact O-CE1 3.31Å; G40-H102 PolarHBondContact O-ND1 3.36Å; N41-H102 PolarHBondContact OD1-ND1 3.08Å
103T91.2Very high91.7Very high13 Ų1374.3 Ų74.38%0.0834%0.344CS..  trans-86.3121.8176.5-56.90000108.6K37 G39 G40 A107 I135K37-T103 WeakPolarHBondContact O-CB 3.22Å; G39-T103 WeakPolarHBondContact CA-O 3.49Å; G39-T103 PolarHBondContact N-O 3.01Å; G40-T103 PolarHBondContact O-N 3Å; T103-A107 HydrophobicContact CG2-CB 4.06Å; T103-I135 HydrophobicContact CG2-CG2 4.14Å
104R91.8Very high91.7Very high166 Ų16668.6 Ų68.663%0.62632%0.32SS*.  trans-61.8144.5-178.4-62-176.8180179.7-0.4111.3N106 A107R104-N106 WeakPolarHBondContact CB-OD1 3.4Å; R104-N106 PolarHBondContact O-N 2.95Å; R104-A107 HydrophobicContact CB-CB 4.37Å; R104-A107 VanDerWaalsContact O-CB 3.28Å; R104-A107 WeakPolarHBondContact O-CB 3.44Å; R104-A107 PolarHBondContact O-N 3.05Å
105K91.7Very high91.8Very high171 Ų17166.8 Ų66.874%0.74331%0.313SS*.THydrogen-bonded Turntrans-57.3-31.2177.9-71.4-177178.9-179.90113.3
106N92Very high91.9Very high129 Ų12965.7 Ų65.769%0.6931%0.306SS*.THydrogen-bonded Turntrans-97.96.7179.965.9-19.7000114.1R104 E108R104-N106 WeakPolarHBondContact CB-OD1 3.4Å; R104-N106 PolarHBondContact O-N 2.95Å; N106-E108 PolarHBondContact O-N 2.88Å
107A90Very high92.1Very high24 Ų2462.8 Ų62.820%0.19829%0.291CS..  trans-59.9134.1179.200000110.7R38 T103 R104 K109 I135R38-A107 PolarHBondContact NE-O 2.84Å; R38-A107 PolarHBondContact NH2-O 3.14Å; T103-A107 HydrophobicContact CG2-CB 4.06Å; R104-A107 HydrophobicContact CB-CB 4.37Å; R104-A107 VanDerWaalsContact O-CB 3.28Å; R104-A107 WeakPolarHBondContact O-CB 3.44Å; R104-A107 PolarHBondContact O-N 3.05Å; A107-K109 PolarHBondContact O-N 3.29Å; A107-I135 HydrophobicContact CB-CG2 4.4Å
108E89Confident92.2Very high107 Ų10762.7 Ų62.750%0.529%0.291SS..  trans-52.2138.1-179.8-170.3-178.4171.300112.9N106 I110 I135N106-E108 PolarHBondContact O-N 2.88Å; E108-I110 HydrophobicContact CG-CB 4.42Å; E108-I110 PolarHBondContact O-N 3.45Å; E108-I135 WeakPolarHBondContact O-CG2 3.29Å
109K90.3Very high92.3Very high111 Ų11165 Ų6548%0.48330%0.297SS..  trans-77.6106.7173.3-64.8179.7-175.7174.50108.6A107 I135 D137A107-K109 PolarHBondContact O-N 3.29Å; K109-I135 WeakPolarHBondContact CA-O 3.47Å; K109-D137 VanDerWaalsContact CE-OD1 3.29Å; K109-D137 WeakPolarHBondContact CE-OD1 3.38Å; K109-D137 WeakPolarHBondContact CE-OD2 3.45Å; K109-D137 IonicContact NZ-OD1 3.41Å; K109-D137 IonicContact NZ-OD2 2.66Å; K109-D137 PolarHBondContact NZ-OD2 3.26Å
110I85.7Confident92.4Very high31 Ų3165 Ų6516%0.15930%0.297CS..  trans-160157.6-174.6-162.4175.1000110.1E108 I112 I135E108-I110 HydrophobicContact CG-CB 4.42Å; E108-I110 PolarHBondContact O-N 3.45Å; I110-I112 HydrophobicContact CG2-CG2 3.63Å; I110-I135 PolarHBondContact O-N 2.78Å
111N84.3Confident92.6Very high92 Ų9260.2 Ų60.249%0.49228%0.282SS..EExtended strand (participates in β ladder)trans-77.7134.1162.8-65.2-57.8000109.5N33 F133 H134N33-N111 PolarHBondContact ND2-OD1 2.89Å; N111-F133 CarbonylContact C-O 3.52Å; N111-F133 WeakPolarHBondContact CA-O 3.45Å; N111-H134 WeakPolarHBondContact OD1-CB 3.4Å; N111-H134 PolarHBondContact OD1-CD2 2.8Å
112I89.3Confident92.8Very high14 Ų1463.9 Ų63.97%0.07230%0.302CS..EExtended strand (participates in β ladder)trans-127.7153.4177.961.9175.4000110.2L36 V63 K65 I110 V114 F133 I135L36-I112 HydrophobicContact CD1-CD1 4.31Å; V63-I112 HydrophobicContact CG1-CB 3.93Å; V63-I112 HydrophobicContact CG1-CD1 3.93Å; V63-I112 HydrophobicContact CG1-CG1 4.47Å; V63-I112 HydrophobicContact CG1-CG2 4.02Å; K65-I112 HydrophobicContact CG-CG2 4.18Å; I110-I112 HydrophobicContact CG2-CG2 3.63Å; I112-V114 HydrophobicContact CD1-CG2 4.04Å; I112-V114 HydrophobicContact CG1-CG2 4.44Å; I112-F133 HydrophobicContact CD1-CB 4.23Å; I112-F133 HydrophobicContact CG1-CB 3.78Å; I112-F133 PolarHBondContact N-O 3.39Å; I112-F133 PolarHBondContact O-N 2.79Å; I112-I135 HydrophobicContact CD1-CD1 4.05Å; I112-I135 HydrophobicContact CD1-CG1 4.4Å
113V87.6Confident93Very high54 Ų5461.9 Ų61.933%0.32731%0.305SS..EExtended strand (participates in β ladder)trans-111.1124.8165.5-176.70000107.8K64 Y69 Y130 T131K64-V113 HydrophobicContact CB-CB 4.32Å; K64-V113 PolarHBondContact N-O 2.82Å; K64-V113 PolarHBondContact O-N 2.79Å; Y69-V113 HydrophobicContact CE1-CG1 4.5Å; Y69-V113 WeakPolarHBondContact OH-CG1 2.93Å; V113-Y130 HydrophobicContact CG1-CD1 4.38Å; V113-T131 WeakPolarHBondContact CA-O 3.37Å
114V93.4Very high93.2Very high8 Ų864.2 Ų64.25%0.04832%0.317CS..EExtended strand (participates in β ladder)trans-98.3129177.3172.10000108.5M61 Q62 V63 I112 F116 Y130 T131 F133M61-V114 HydrophobicContact CG-CG1 3.69Å; M61-V114 HydrophobicContact SD-CG1 3.86Å; Q62-V114 CarbonylContact O-C 3.52Å; Q62-V114 WeakPolarHBondContact O-CA 3.39Å; V63-V114 HydrophobicContact CG2-CG2 4.3Å; I112-V114 HydrophobicContact CD1-CG2 4.04Å; I112-V114 HydrophobicContact CG1-CG2 4.44Å; V114-F116 HydrophobicContact CG1-CB 4.38Å; V114-Y130 CarbonylContact O-C 3.5Å; V114-Y130 VanDerWaalsContact O-CA 3.25Å; V114-Y130 WeakPolarHBondContact O-CA 3.47Å; V114-T131 HydrophobicContact CB-CG2 4.15Å; V114-T131 PolarHBondContact N-O 2.84Å; V114-T131 PolarHBondContact O-N 3.5Å; V114-F133 HydrophobicContact CB-CD2 4.01Å; V114-F133 HydrophobicContact CB-CE2 3.85Å; V114-F133 HydrophobicContact CG1-CE2 4.49Å; V114-F133 HydrophobicContact CG2-CD2 3.5Å; V114-F133 VanDerWaalsContact CG2-CD2 3.5Å; V114-F133 HydrophobicContact CG2-CE2 3.7Å
115R95.2Very high93.5Very high56 Ų5657.8 Ų57.821%0.21129%0.294CS..EExtended strand (participates in β ladder)trans-94.2119.6159.9-167.9-170.9-175.1-175.70.8108M61 Q62 Y69 Q117 D125 V129 Y130M61-R115 WeakPolarHBondContact CA-O 3.49Å; Q62-R115 HydrophobicContact CB-CB 4.2Å; Q62-R115 PolarHBondContact N-O 2.9Å; Q62-R115 PolarHBondContact O-N 2.83Å; Q62-R115 VanDerWaalsContact OE1-NH1 3.11Å; Y69-R115 HydrophobicContact CD1-CB 4.12Å; Y69-R115 HydrophobicContact CE1-CB 3.9Å; R115-Q117 HydrophobicContact CG-CG 4.36Å; R115-Q117 VanDerWaalsContact NH2-NE2 3.18Å; R115-D125 IonicContact NH2-OD2 2.64Å; R115-V129 CarbonylContact C-O 3.58Å; R115-V129 WeakPolarHBondContact CA-O 3.34Å; R115-Y130 HydrophobicContact CB-CD1 3.69Å; R115-Y130 HydrophobicContact CB-CE1 3.52Å; R115-Y130 HydrophobicContact CG-CD1 3.81Å; R115-Y130 HydrophobicContact CG-CE1 3.4Å; R115-Y130 VanDerWaalsContact CG-CE1 3.4Å
116F96.8Very high93.8Very high3 Ų349.9 Ų49.91%0.01326%0.26CS..EExtended strand (participates in β ladder)trans-114.4126.6176.2-166.7-95.5000109.6L44 I46 A59 M61 L74 Y97 Q99 V114 L118 C128 V129L44-F116 HydrophobicContact CD2-CD1 4.09Å; L44-F116 HydrophobicContact CD2-CD2 4.01Å; L44-F116 HydrophobicContact CD2-CE1 4.08Å; L44-F116 HydrophobicContact CD2-CE2 4Å; L44-F116 HydrophobicContact CD2-CG 4.07Å; L44-F116 HydrophobicContact CD2-CZ 4.05Å; I46-F116 HydrophobicContact CD1-CD1 3.63Å; I46-F116 HydrophobicContact CD1-CE1 3.68Å; A59-F116 HydrophobicContact CB-CZ 4.19Å; M61-F116 HydrophobicContact CB-CD2 4.25Å; M61-F116 HydrophobicContact CG-CD2 4.23Å; M61-F116 HydrophobicContact SD-CD2 4.22Å; L74-F116 HydrophobicContact CD1-CE2 4.12Å; Y97-F116 HydrophobicContact CD1-CE1 4.28Å; Y97-F116 AromaticContact CE1-CE1 3.64Å; Y97-F116 HydrophobicContact CE1-CE1 3.64Å; Y97-F116 AromaticContact CE1-CZ 3.49Å; Y97-F116 HydrophobicContact CE1-CZ 3.49Å; Y97-F116 VanDerWaalsContact CE1-CZ 3.49Å; Y97-F116 AromaticContact CZ-CZ 3.97Å; Q99-F116 HydrophobicContact CB-CZ 4.46Å; Q99-F116 HydrophobicContact CG-CE2 4.37Å; Q99-F116 HydrophobicContact CG-CZ 4.49Å; V114-F116 HydrophobicContact CG1-CB 4.38Å; F116-L118 HydrophobicContact CE1-CD2 3.78Å; F116-L118 HydrophobicContact CE1-CG 4.03Å; F116-L118 HydrophobicContact CZ-CD2 4.18Å; F116-C128 WeakPolarHBondContact O-CA 3.42Å; F116-V129 HydrophobicContact CB-CG2 3.98Å; F116-V129 PolarHBondContact N-O 3.39Å; F116-V129 PolarHBondContact O-N 3.49Å
117Q98.1Very high94.1Very high3 Ų343.7 Ų43.71%0.01423%0.227CC..EExtended strand (participates in β ladder)trans-123.5137.4178.9-59.9171.8-72.400110A59 V60 R115 R119 D125 V127 C128A59-Q117 WeakPolarHBondContact CA-O 3.4Å; V60-Q117 HydrophobicContact CB-CB 4.24Å; V60-Q117 PolarHBondContact N-O 2.9Å; V60-Q117 PolarHBondContact O-N 3.33Å; R115-Q117 HydrophobicContact CG-CG 4.36Å; R115-Q117 VanDerWaalsContact NH2-NE2 3.18Å; Q117-R119 HydrophobicContact CB-CG 4.43Å; Q117-D125 PolarHBondContact NE2-OD1 2.93Å; Q117-D125 PolarHBondContact NE2-OD2 2.88Å; Q117-V127 CarbonylContact C-O 3.55Å; Q117-V127 WeakPolarHBondContact CA-O 3.48Å; Q117-C128 HydrophobicContact CG-CB 4.44Å
118L98.3Very high94.5Very high0 Ų042.6 Ų42.60%022%0.218CC..EExtended strand (participates in β ladder)trans-106116.7156.7-62.3178.8000106.6F48 I57 A59 Y97 F116 L126 V127F48-L118 HydrophobicContact CE1-CD1 3.83Å; F48-L118 HydrophobicContact CZ-CD1 4.13Å; I57-L118 HydrophobicContact CG2-CB 3.93Å; I57-L118 HydrophobicContact CG2-CD2 3.9Å; I57-L118 HydrophobicContact CG2-CG 4.36Å; A59-L118 HydrophobicContact CB-CD2 3.95Å; Y97-L118 HydrophobicContact CD1-CD1 4.07Å; Y97-L118 HydrophobicContact CD1-CD2 4.17Å; Y97-L118 HydrophobicContact CD2-CD1 4.25Å; Y97-L118 HydrophobicContact CD2-CD2 4.17Å; Y97-L118 HydrophobicContact CE1-CD2 3.85Å; Y97-L118 HydrophobicContact CE2-CD2 3.85Å; Y97-L118 HydrophobicContact CG-CD1 3.88Å; Y97-L118 HydrophobicContact CG-CD2 4.31Å; F116-L118 HydrophobicContact CE1-CD2 3.78Å; F116-L118 HydrophobicContact CE1-CG 4.03Å; F116-L118 HydrophobicContact CZ-CD2 4.18Å; L118-L126 HydrophobicContact CB-CB 4.49Å; L118-L126 WeakPolarHBondContact O-CA 3.39Å; L118-L126 VanDerWaalsContact O-CB 3.26Å; L118-L126 WeakPolarHBondContact O-CB 3.43Å; L118-L126 PolarHBondContact O-N 2.88Å; L118-V127 HydrophobicContact CB-CB 4.05Å; L118-V127 HydrophobicContact CD1-CB 4.2Å; L118-V127 HydrophobicContact CD1-CG2 4.19Å; L118-V127 HydrophobicContact CG-CB 4.21Å; L118-V127 PolarHBondContact N-O 2.82Å; L118-V127 PolarHBondContact O-N 2.83Å
119R98.3Very high94.7Very high85 Ų8537.6 Ų37.632%0.32120%0.195SC..EExtended strand (participates in β ladder)trans-99134.8178.2-64.8-173.2-177.2174.67110.9I57 T58 Q117 N124 D125I57-R119 CarbonylContact C-O 3.43Å; I57-R119 VanDerWaalsContact CA-O 3.26Å; I57-R119 WeakPolarHBondContact CA-O 3.32Å; T58-R119 PolarHBondContact N-O 3.19Å; T58-R119 PolarHBondContact O-N 3.28Å; Q117-R119 HydrophobicContact CB-CG 4.43Å; R119-N124 CarbonylContact C-O 3.53Å; R119-N124 WeakPolarHBondContact CA-O 3.45Å; R119-D125 IonicContact NE-OD1 3.87Å
120D98Very high94.7Very high10 Ų1035 Ų355%0.05318%0.183CC..  trans-74.3-178.61777111.6000112.5V54 N56 N122 G123 N124V54-D120 HydrophobicContact CG1-CB 4.21Å; N56-D120 CarbonylContact O-C 3.59Å; N56-D120 WeakPolarHBondContact O-CA 3.43Å; D120-N122 PolarHBondContact O-N 3.49Å; D120-N122 WeakPolarHBondContact OD1-CA 3.17Å; D120-N122 WeakPolarHBondContact OD1-CB 3.3Å; D120-N122 PolarHBondContact OD1-N 3.22Å; D120-G123 PolarHBondContact O-N 2.81Å; D120-G123 PolarHBondContact OD1-N 2.76Å; D120-N124 PolarHBondContact N-O 2.91Å; D120-N124 PolarHBondContact OD1-N 3.28Å; D120-N124 PolarHBondContact OD2-ND2 3.41Å
121Q97.7Very high94.8Very high67 Ų6734 Ų3431%0.31318%0.178SC..THydrogen-bonded Turntrans-56.9-18.7176.361.5-80.4-12.200115T53 V54 T55 N56T53-Q121 PolarHBondContact O-NE2 3.36Å; T53-Q121 VanDerWaalsContact O-NE2 3.14Å; V54-Q121 VanDerWaalsContact CA-OE1 3.3Å; T55-Q121 WeakPolarHBondContact OG1-CB 3.41Å; N56-Q121 HydrophobicContact CB-CB 4.2Å; N56-Q121 PolarHBondContact O-N 3.24Å
122N96.9Very high94.8Very high112 Ų11230.6 Ų30.660%0.59916%0.164SC*.THydrogen-bonded Turntrans-102.12.9-179.3-61.7-41.7000111.8D120 N124D120-N122 PolarHBondContact O-N 3.49Å; D120-N122 WeakPolarHBondContact OD1-CA 3.17Å; D120-N122 WeakPolarHBondContact OD1-CB 3.3Å; D120-N122 PolarHBondContact OD1-N 3.22Å; N122-N124 VanDerWaalsContact C-N 3.31Å; N122-N124 VanDerWaalsContact CB-ND2 3.29Å; N122-N124 WeakPolarHBondContact CB-ND2 3.1Å
123G96.4Very high94.8Very high44 Ų4430.4 Ų30.445%0.45416%0.163SC..SBendtrans79.28.4-177.100000114.6D120D120-G123 PolarHBondContact O-N 2.81Å; D120-G123 PolarHBondContact OD1-N 2.76Å
124N97.5Very high94.7Very high62 Ų6230.9 Ų30.933%0.33216%0.162SC..  trans-83.2150.7178-53.3-65.7000111.2R17 R119 D120 N122 L126R17-N124 PolarHBondContact NH1-ND2 3.23Å; R119-N124 CarbonylContact C-O 3.53Å; R119-N124 WeakPolarHBondContact CA-O 3.45Å; D120-N124 PolarHBondContact N-O 2.91Å; D120-N124 PolarHBondContact OD1-N 3.28Å; D120-N124 PolarHBondContact OD2-ND2 3.41Å; N122-N124 VanDerWaalsContact C-N 3.31Å; N122-N124 VanDerWaalsContact CB-ND2 3.29Å; N122-N124 WeakPolarHBondContact CB-ND2 3.1Å; N124-L126 PolarHBondContact O-N 3.3Å
125D97.8Very high94.5Very high30 Ų3031.3 Ų31.316%0.1616%0.164CC..EExtended strand (participates in β ladder)trans-70.596176.4-75.2-20.9000111.3R17 R115 Q117 R119 V127 C128R17-D125 PolarHBondContact N-O 2.67Å; R115-D125 IonicContact NH2-OD2 2.64Å; Q117-D125 PolarHBondContact NE2-OD1 2.93Å; Q117-D125 PolarHBondContact NE2-OD2 2.88Å; R119-D125 IonicContact NE-OD1 3.87Å; D125-V127 VanDerWaalsContact C-N 3.35Å; D125-C128 HydrophobicContact CB-CB 3.92Å
126L97.9Very high94.1Very high5 Ų529.4 Ų29.43%0.02616%0.159CC..EExtended strand (participates in β ladder)trans-62.3-48.6168.6-179.264.8000109.7R17 A18 F48 P50 V54 I57 L118 N124R17-L126 PolarHBondContact N-O 3.4Å; A18-L126 HydrophobicContact CB-CD1 3.86Å; A18-L126 HydrophobicContact CB-CG 4.14Å; A18-L126 WeakPolarHBondContact CB-O 3.25Å; A18-L126 PolarHBondContact N-O 2.57Å; F48-L126 HydrophobicContact CE2-CD2 3.68Å; F48-L126 HydrophobicContact CE2-CG 4.13Å; F48-L126 HydrophobicContact CZ-CD2 4.04Å; P50-L126 HydrophobicContact CB-CD1 3.92Å; V54-L126 HydrophobicContact CG1-CD2 4.11Å; V54-L126 HydrophobicContact CG2-CD1 3.83Å; V54-L126 HydrophobicContact CG2-CD2 3.95Å; I57-L126 HydrophobicContact CD1-CD2 4.16Å; I57-L126 HydrophobicContact CG1-CD2 4.41Å; L118-L126 HydrophobicContact CB-CB 4.49Å; L118-L126 WeakPolarHBondContact O-CA 3.39Å; L118-L126 VanDerWaalsContact O-CB 3.26Å; L118-L126 WeakPolarHBondContact O-CB 3.43Å; L118-L126 PolarHBondContact O-N 2.88Å; N124-L126 PolarHBondContact O-N 3.3Å
127V97.8Very high93.4Very high0 Ų032.7 Ų32.70%018%0.177CC..EExtended strand (participates in β ladder)trans-128.6132.7170.9169.70000107.2A18 I20 I46 F48 Q117 L118 D125 V129A18-V127 HydrophobicContact CB-CG2 4.22Å; I20-V127 HydrophobicContact CD1-CG1 3.86Å; I20-V127 HydrophobicContact CG1-CG1 4.32Å; I20-V127 HydrophobicContact CG1-CG2 4.31Å; I46-V127 HydrophobicContact CD1-CG1 4.31Å; I46-V127 HydrophobicContact CG2-CG1 4.34Å; F48-V127 HydrophobicContact CB-CG2 4.24Å; F48-V127 HydrophobicContact CD1-CG2 4.09Å; F48-V127 HydrophobicContact CD2-CG2 4.15Å; F48-V127 HydrophobicContact CE1-CG2 4.49Å; F48-V127 HydrophobicContact CG-CG2 3.9Å; Q117-V127 CarbonylContact C-O 3.55Å; Q117-V127 WeakPolarHBondContact CA-O 3.48Å; L118-V127 HydrophobicContact CB-CB 4.05Å; L118-V127 HydrophobicContact CD1-CB 4.2Å; L118-V127 HydrophobicContact CD1-CG2 4.19Å; L118-V127 HydrophobicContact CG-CB 4.21Å; L118-V127 PolarHBondContact N-O 2.82Å; L118-V127 PolarHBondContact O-N 2.83Å; D125-V127 VanDerWaalsContact C-N 3.35Å; V127-V129 HydrophobicContact CG1-CG1 4.39Å
128C97.6Very high92Very high0 Ų037 Ų370%020%0.204CC..EExtended strand (participates in β ladder)trans-137.3118.8171.2-171.90000108.2D13 C14 S16 F116 Q117 D125D13-C128 WeakPolarHBondContact CA-O 3.34Å; C14-C128 HydrophobicContact CB-CB 4.13Å; C14-C128 WeakPolarHBondContact CB-SG 3.41Å; C14-C128 PolarHBondContact N-O 2.81Å; C14-C128 VanDerWaalsContact SG-CA 3.59Å; C14-C128 WeakPolarHBondContact SG-CB 3.03Å; C14-C128 PolarHBondContact SG-O 3.34Å; C14-C128 VanDerWaalsContact SG-O 3.37Å; C14-C128 CovalentContact SG-SG 2.04Å; C14-C128 PolarHBondContact SG-SG 3.33Å; S16-C128 PolarHBondContact OG-N 2.82Å; S16-C128 PolarHBondContact OG-O 3Å; S16-C128 VanDerWaalsContact OG-O 3.11Å; F116-C128 WeakPolarHBondContact O-CA 3.42Å; Q117-C128 HydrophobicContact CG-CB 4.44Å; D125-C128 HydrophobicContact CB-CB 3.92Å
129V94.4Very high90.1Very high3 Ų337.8 Ų37.82%0.01821%0.209CC..EExtended strand (participates in β ladder)trans-136.8146.6176.2-65.50000113.3Y11 E12 C14 I20 I23 R115 F116 V127Y11-V129 HydrophobicContact CD2-CB 4.24Å; Y11-V129 HydrophobicContact CD2-CG1 3.54Å; Y11-V129 HydrophobicContact CE2-CG1 4.15Å; Y11-V129 HydrophobicContact CG-CG1 4.16Å; E12-V129 CarbonylContact O-C 3.58Å; E12-V129 VanDerWaalsContact O-CA 3.25Å; E12-V129 WeakPolarHBondContact O-CA 3.28Å; C14-V129 PolarHBondContact SG-N 3.02Å; I20-V129 HydrophobicContact CD1-CG1 3.46Å; I20-V129 VanDerWaalsContact CD1-CG1 3.46Å; I23-V129 HydrophobicContact CD1-CB 4.05Å; I23-V129 HydrophobicContact CD1-CG1 3.7Å; I23-V129 HydrophobicContact CD1-CG2 3.63Å; R115-V129 CarbonylContact C-O 3.58Å; R115-V129 WeakPolarHBondContact CA-O 3.34Å; F116-V129 HydrophobicContact CB-CG2 3.98Å; F116-V129 PolarHBondContact N-O 3.39Å; F116-V129 PolarHBondContact O-N 3.49Å; V127-V129 HydrophobicContact CG1-CG1 4.39Å
130Y88.8Confident87.5Confident56 Ų5639.7 Ų39.722%0.2223%0.225CC..EExtended strand (participates in β ladder)trans-98.9136.7160.3-60.9-67.6000110.5Y11 E12 C14 Y69 V113 V114 R115Y11-Y130 CarbonylContact C-O 3.53Å; Y11-Y130 WeakPolarHBondContact CA-O 3.46Å; E12-Y130 HydrophobicContact CG-CD2 4.48Å; E12-Y130 PolarHBondContact N-O 3.29Å; E12-Y130 PolarHBondContact O-N 2.96Å; C14-Y130 HydrophobicContact CB-CD2 3.74Å; C14-Y130 HydrophobicContact CB-CE2 3.33Å; Y69-Y130 HydrophobicContact CE1-CD1 4.05Å; Y69-Y130 AromaticContact CE1-CE1 3.83Å; Y69-Y130 HydrophobicContact CE1-CE1 3.83Å; Y69-Y130 HydrophobicContact CE2-CE1 4.11Å; Y69-Y130 AromaticContact CZ-CD1 3.82Å; Y69-Y130 AromaticContact CZ-CE1 3.46Å; Y69-Y130 VanDerWaalsContact CZ-CE1 3.46Å; Y69-Y130 VanDerWaalsContact OH-CD1 3.25Å; Y69-Y130 WeakPolarHBondContact OH-CD1 3.34Å; Y69-Y130 VanDerWaalsContact OH-CE1 3.23Å; Y69-Y130 WeakPolarHBondContact OH-CE1 3.03Å; V113-Y130 HydrophobicContact CG1-CD1 4.38Å; V114-Y130 CarbonylContact O-C 3.5Å; V114-Y130 VanDerWaalsContact O-CA 3.25Å; V114-Y130 WeakPolarHBondContact O-CA 3.47Å; R115-Y130 HydrophobicContact CB-CD1 3.69Å; R115-Y130 HydrophobicContact CB-CE1 3.52Å; R115-Y130 HydrophobicContact CG-CD1 3.81Å; R115-Y130 HydrophobicContact CG-CE1 3.4Å; R115-Y130 VanDerWaalsContact CG-CE1 3.4Å
131T87.7Confident85Confident10 Ų1044.5 Ų44.56%0.06125%0.248CC..EExtended strand (participates in β ladder)trans-144.2144.3174.4-178.20000111N10 V113 V114 F133N10-T131 PolarHBondContact O-OG1 2.83Å; V113-T131 WeakPolarHBondContact CA-O 3.37Å; V114-T131 HydrophobicContact CB-CG2 4.15Å; V114-T131 PolarHBondContact N-O 2.84Å; V114-T131 PolarHBondContact O-N 3.5Å; T131-F133 HydrophobicContact CG2-CD2 4.22Å; T131-F133 HydrophobicContact CG2-CE2 3.33Å; T131-F133 HydrophobicContact CG2-CZ 3.72Å
132G84.5Confident82.2Confident20 Ų2051.5 Ų51.521%0.20627%0.271CS..EExtended strand (participates in β ladder)trans-94.2138.5-177.500000111.9
133F89.8Confident79Confident11 Ų1152.7 Ų52.75%0.04828%0.283CS..EExtended strand (participates in β ladder)trans-136.3156.5175.7-64.3-79.3000111.7V25 N33 C34 L36 N111 I112 V114 T131V25-F133 HydrophobicContact CG1-CE1 4.14Å; V25-F133 HydrophobicContact CG2-CE1 4.1Å; V25-F133 HydrophobicContact CG2-CZ 4.16Å; N33-F133 WeakPolarHBondContact OD1-CA 3.22Å; N33-F133 PolarHBondContact OD1-O 2.78Å; C34-F133 HydrophobicContact CB-CD1 3.68Å; C34-F133 HydrophobicContact CB-CE1 3.89Å; C34-F133 WeakPolarHBondContact O-CA 3.5Å; L36-F133 HydrophobicContact CD1-CB 3.74Å; L36-F133 HydrophobicContact CD1-CD1 3.91Å; L36-F133 HydrophobicContact CD1-CD2 4.28Å; L36-F133 HydrophobicContact CD1-CG 3.73Å; L36-F133 HydrophobicContact CD2-CD1 3.77Å; L36-F133 HydrophobicContact CD2-CE1 4.09Å; L36-F133 HydrophobicContact CD2-CG 4.45Å; L36-F133 HydrophobicContact CG-CB 3.95Å; L36-F133 HydrophobicContact CG-CD1 3.71Å; L36-F133 HydrophobicContact CG-CE1 4.49Å; L36-F133 HydrophobicContact CG-CG 3.98Å; N111-F133 CarbonylContact C-O 3.52Å; N111-F133 WeakPolarHBondContact CA-O 3.45Å; I112-F133 HydrophobicContact CD1-CB 4.23Å; I112-F133 HydrophobicContact CG1-CB 3.78Å; I112-F133 PolarHBondContact N-O 3.39Å; I112-F133 PolarHBondContact O-N 2.79Å; V114-F133 HydrophobicContact CB-CD2 4.01Å; V114-F133 HydrophobicContact CB-CE2 3.85Å; V114-F133 HydrophobicContact CG1-CE2 4.49Å; V114-F133 HydrophobicContact CG2-CD2 3.5Å; V114-F133 VanDerWaalsContact CG2-CD2 3.5Å; V114-F133 HydrophobicContact CG2-CE2 3.7Å; T131-F133 HydrophobicContact CG2-CD2 4.22Å; T131-F133 HydrophobicContact CG2-CE2 3.33Å; T131-F133 HydrophobicContact CG2-CZ 3.72Å
134H86.3Confident76.2Confident64 Ų6458.3 Ų58.330%0.29629%0.291SS..EExtended strand (participates in β ladder)trans-121.5124.1173.2176.2-116.5000110.3N33 C34 T35 L36 N111N33-H134 PolarHBondContact OD1-N 2.75Å; C34-H134 PolarHBondContact O-N 3.05Å; T35-H134 CarbonylContact C-O 3.57Å; T35-H134 WeakPolarHBondContact CA-O 3.22Å; L36-H134 PolarHBondContact N-O 3.12Å; N111-H134 WeakPolarHBondContact OD1-CB 3.4Å; N111-H134 PolarHBondContact OD1-CD2 2.8Å
135I88.6Confident73Confident17 Ų1760.2 Ų60.29%0.08732%0.316CS..EExtended strand (participates in β ladder)trans-91.6122.6177-61.8174.5000109.9L36 R38 T103 A107 E108 K109 I110 I112L36-I135 HydrophobicContact CB-CG1 4.17Å; L36-I135 WeakPolarHBondContact O-CA 3.08Å; R38-I135 HydrophobicContact CG-CG2 3.75Å; T103-I135 HydrophobicContact CG2-CG2 4.14Å; A107-I135 HydrophobicContact CB-CG2 4.4Å; E108-I135 WeakPolarHBondContact O-CG2 3.29Å; K109-I135 WeakPolarHBondContact CA-O 3.47Å; I110-I135 PolarHBondContact O-N 2.78Å; I112-I135 HydrophobicContact CD1-CD1 4.05Å; I112-I135 HydrophobicContact CD1-CG1 4.4Å
136A87.6Confident70.3Confident15 Ų1565.6 Ų65.612%0.12434%0.338CS..EExtended strand (participates in β ladder)trans-144.2168.717900000113T35 L36 K37 R38T35-A136 HydrophobicContact CG2-CB 3.83Å; L36-A136 PolarHBondContact O-N 3.25Å; K37-A136 CarbonylContact C-O 3.55Å; K37-A136 WeakPolarHBondContact CA-O 3.49Å; R38-A136 PolarHBondContact N-O 3.02Å
137D81.8Confident67.2Low72 Ų7273.1 Ų73.139%0.38538%0.377SS..SBendtrans-78.3-27.2178.7-68.1-22000112.9K37 R38 K109K37-D137 VanDerWaalsContact CE-O 3.24Å; K37-D137 WeakPolarHBondContact CE-O 3.4Å; K37-D137 WeakPolarHBondContact CG-O 3.41Å; R38-D137 WeakPolarHBondContact CD-OD1 3.42Å; R38-D137 IonicContact CZ-OD1 3.47Å; R38-D137 IonicContact NE-OD1 2.74Å; R38-D137 IonicContact NH1-OD1 3.86Å; R38-D137 PolarHBondContact NH1-OD1 2.93Å; K109-D137 VanDerWaalsContact CE-OD1 3.29Å; K109-D137 WeakPolarHBondContact CE-OD1 3.38Å; K109-D137 WeakPolarHBondContact CE-OD2 3.45Å; K109-D137 IonicContact NZ-OD1 3.41Å; K109-D137 IonicContact NZ-OD2 2.66Å; K109-D137 PolarHBondContact NZ-OD2 3.26Å
138T68Low64.1Low93 Ų9378.1 Ų78.157%0.57142%0.418SS*.  trans-128.8119.6-176.647.70000110.1N140T138-N140 PolarHBondContact O-N 3.26Å
139T58.7Low61.4Low18 Ų1886 Ų8611%0.1146%0.46CS..  trans-69.1120.7153.722.90000106.3T35 K37 Q141T35-T139 HydrophobicContact CG2-CG2 4.05Å; K37-T139 HydrophobicContact CB-CG2 4.35Å; T139-Q141 PolarHBondContact O-N 2.81Å
140N44Very low58.8Low125 Ų12590.4 Ų90.467%0.66850%0.496SS*.  trans-68.276169.3-70.8-13.9000108.2T138T138-N140 PolarHBondContact O-N 3.26Å
141Q46.1Very low56.4Low111 Ų11192.5 Ų92.552%0.51953%0.525SS..  trans-94.5113.1167.9-85.8177.3-14.900106.8T139 T143T139-Q141 PolarHBondContact O-N 2.81Å; Q141-T143 PolarHBondContact O-N 3.32Å
142W37.7Very low54.4Low213 Ų21397.8 Ų97.881%0.80756%0.561SS**  trans-57.8110.3167-72.876.5000107.9Y144W142-Y144 VanDerWaalsContact C-N 3.33Å; W142-Y144 HydrophobicContact CB-CE2 4.18Å; W142-Y144 WeakPolarHBondContact O-CD2 3.34Å; W142-Y144 PolarHBondContact O-N 3.29Å
143T29.3Very low52.4Low137 Ų137107.1 Ų107.184%0.8460%0.596SS**  trans-66.394.8171.544.60000108.2Q141 A145Q141-T143 PolarHBondContact O-N 3.32Å; T143-A145 PolarHBondContact O-N 2.93Å
144Y39.2Very low49.8Very low163 Ų163110.1 Ų110.164%0.63962%0.624SS**  trans-72.393.4168.2-71.3-69.3000109.3W142 F146W142-Y144 VanDerWaalsContact C-N 3.33Å; W142-Y144 HydrophobicContact CB-CE2 4.18Å; W142-Y144 WeakPolarHBondContact O-CD2 3.34Å; W142-Y144 PolarHBondContact O-N 3.29Å; Y144-F146 AromaticContact CD1-CD2 3.78Å; Y144-F146 HydrophobicContact CD1-CD2 3.78Å; Y144-F146 AromaticContact CD1-CE2 3.82Å; Y144-F146 HydrophobicContact CD1-CE2 3.82Å; Y144-F146 HydrophobicContact CE1-CE2 4.36Å; Y144-F146 HydrophobicContact CG-CD2 4.37Å; Y144-F146 PolarHBondContact O-N 3.1Å; Y144-F146 VanDerWaalsContact O-N 3.12Å
145A29.7Very low47.4Very low102 Ų102112.9 Ų112.984%0.84365%0.648SS**  trans-73.783.4152.800000107.5T143T143-A145 PolarHBondContact O-N 2.93Å
146F40.9Very low44.9Very low142 Ų142121.5 Ų121.562%0.62369%0.686SS**  trans-101.9105.2167.3-100.7-84.8000108.7Y144 A148Y144-F146 AromaticContact CD1-CD2 3.78Å; Y144-F146 HydrophobicContact CD1-CD2 3.78Å; Y144-F146 AromaticContact CD1-CE2 3.82Å; Y144-F146 HydrophobicContact CD1-CE2 3.82Å; Y144-F146 HydrophobicContact CE1-CE2 4.36Å; Y144-F146 HydrophobicContact CG-CD2 4.37Å; Y144-F146 PolarHBondContact O-N 3.1Å; Y144-F146 VanDerWaalsContact O-N 3.12Å; F146-A148 PolarHBondContact O-N 2.92Å
147L33.3Very low42.6Very low164 Ų164125.2 Ų125.286%0.85970%0.703SS**  trans-51116.9158.1-80.1156000108.2L149L147-L149 PolarHBondContact O-N 3.41Å; L147-L149 VanDerWaalsContact O-N 3.12Å
148A32.8Very low40.9Very low104 Ų104125.4 Ų125.486%0.8672%0.722SS**  trans-67.3105.1170.100000108.6F146F146-A148 PolarHBondContact O-N 2.92Å
149L40.3Very low40.1Very low167 Ų167126.3 Ų126.387%0.87472%0.715SS**  trans-108110.8160.5-106.3154.2000107.5L147L147-L149 PolarHBondContact O-N 3.41Å; L147-L149 VanDerWaalsContact O-N 3.12Å
150A39Very low40.3Very low95 Ų95131.6 Ų131.679%0.78574%0.739SS**  trans-60.7138.8174.100000111.4
151A40.1Very low42.2Very low100 Ų100130.4 Ų130.483%0.82673%0.725SS**  trans-174.7137.5139.600000112.2
152C45.9Very low44.1Very low120 Ų120125.6 Ų125.681%0.81170%0.703SS**  trans83.281165.1-109.20000119.1A154C152-A154 PolarHBondContact O-N 2.89Å
153F40.4Very low46.2Very low216 Ų216117.8 Ų117.895%0.94768%0.677SS**  trans-73.989.9145.1-91.1-99.1000109
154A35.6Very low48.8Very low75 Ų75114.2 Ų114.262%0.6265%0.649SS**  trans-162.7135.2159.900000108.9C152C152-A154 PolarHBondContact O-N 2.89Å
155C37Very low50.5Low121 Ų121107.1 Ų107.182%0.81862%0.621SS**  trans83.860.8-171.8-47.30000114.8D157C155-D157 PolarHBondContact O-N 3.06Å; C155-D157 VanDerWaalsContact O-N 3.11Å
156F34.9Very low53Low198 Ų198105.4 Ų105.487%0.86860%0.598SS**  trans-77.272151.6-121-89.2000107.8G158F156-G158 PolarHBondContact O-N 3.33Å
157D40.7Very low54.9Low93 Ų93100.5 Ų100.550%0.49758%0.581SS.*  trans-64.4126.6148.2-73.1-18.9000104.3C155 R159C155-D157 PolarHBondContact O-N 3.06Å; C155-D157 VanDerWaalsContact O-N 3.11Å; D157-R159 HydrophobicContact CB-CG 3.92Å; D157-R159 PolarHBondContact O-N 3.22Å; D157-R159 IonicContact OD2-CZ 3.29Å; D157-R159 IonicContact OD2-NE 3.17Å; D157-R159 PolarHBondContact OD2-NE 2.01Å; D157-R159 IonicContact OD2-NH2 2.89Å; D157-R159 PolarHBondContact OD2-NH2 2.8Å
158G44.8Very low57.3Low76 Ų7695 Ų9578%0.78456%0.564SS**  trans-64.858.9178.100000113F156 E160F156-G158 PolarHBondContact O-N 3.33Å; G158-E160 PolarHBondContact O-N 2.82Å
159R52.2Low60.1Low113 Ų11391.2 Ų91.243%0.42653%0.531SS..  trans-86.3101.6175.9-58.4-173.6-158.3-161.57106.9D157 W161D157-R159 HydrophobicContact CB-CG 3.92Å; D157-R159 PolarHBondContact O-N 3.22Å; D157-R159 IonicContact OD2-CZ 3.29Å; D157-R159 IonicContact OD2-NE 3.17Å; D157-R159 PolarHBondContact OD2-NE 2.01Å; D157-R159 IonicContact OD2-NH2 2.89Å; D157-R159 PolarHBondContact OD2-NH2 2.8Å; R159-W161 HydrophobicContact CB-CH2 4.48Å; R159-W161 HydrophobicContact CB-CZ2 4.44Å; R159-W161 PolarHBondContact O-N 2.73Å
160E62.6Low62.5Low128 Ų12886.8 Ų86.860%0.59850%0.503SS*.  trans-71.4111.1171.7-62.3-168.2156.600108.8G158 P184G158-E160 PolarHBondContact O-N 2.82Å; E160-P184 HydrophobicContact CB-CG 3.95Å; E160-P184 WeakPolarHBondContact OE2-CG 3.33Å
161W83.6Confident65Low101 Ų10182.5 Ų82.538%0.38347%0.467SS..PPolyproline II helixtrans-72.4138.4172.8-50.6106.3000109.1R159 W175 V176 E177R159-W161 HydrophobicContact CB-CH2 4.48Å; R159-W161 HydrophobicContact CB-CZ2 4.44Å; R159-W161 PolarHBondContact O-N 2.73Å; W161-W175 HydrophobicContact CD2-CB 3.64Å; W161-W175 HydrophobicContact CD2-CD2 4.27Å; W161-W175 AromaticContact CD2-CG 3.92Å; W161-W175 HydrophobicContact CD2-CG 3.92Å; W161-W175 HydrophobicContact CE3-CB 3.63Å; W161-W175 AromaticContact CE3-CD2 3.52Å; W161-W175 HydrophobicContact CE3-CD2 3.52Å; W161-W175 AromaticContact CE3-CE3 3.46Å; W161-W175 HydrophobicContact CE3-CE3 3.46Å; W161-W175 VanDerWaalsContact CE3-CE3 3.46Å; W161-W175 AromaticContact CE3-CG 3.65Å; W161-W175 HydrophobicContact CE3-CG 3.65Å; W161-W175 HydrophobicContact CE3-CZ3 4.22Å; W161-W175 HydrophobicContact CG-CB 4.08Å; W161-W175 AromaticContact CH2-CD1 3.87Å; W161-W175 AromaticContact CH2-CD2 3.41Å; W161-W175 HydrophobicContact CH2-CD2 3.41Å; W161-W175 VanDerWaalsContact CH2-CD2 3.41Å; W161-W175 AromaticContact CH2-CE2 3.32Å; W161-W175 AromaticContact CH2-CE3 3.87Å; W161-W175 HydrophobicContact CH2-CE3 3.87Å; W161-W175 AromaticContact CH2-CG 3.75Å; W161-W175 HydrophobicContact CH2-CG 3.75Å; W161-W175 HydrophobicContact CH2-CH2 4.15Å; W161-W175 AromaticContact CH2-CZ2 3.73Å; W161-W175 HydrophobicContact CH2-CZ2 3.73Å; W161-W175 HydrophobicContact CH2-CZ3 4.21Å; W161-W175 AromaticContact CH2-NE1 3.62Å; W161-W175 AromaticContact CZ2-CD1 3.93Å; W161-W175 HydrophobicContact CZ2-CD2 4.16Å; W161-W175 HydrophobicContact CZ2-CG 4.01Å; W161-W175 HydrophobicContact CZ3-CB 4.13Å; W161-W175 AromaticContact CZ3-CD2 3.06Å; W161-W175 HydrophobicContact CZ3-CD2 3.06Å; W161-W175 AromaticContact CZ3-CE2 3.47Å; W161-W175 VanDerWaalsContact CZ3-CE2 3.47Å; W161-W175 AromaticContact CZ3-CE3 3.05Å; W161-W175 HydrophobicContact CZ3-CE3 3.05Å; W161-W175 AromaticContact CZ3-CG 3.59Å; W161-W175 HydrophobicContact CZ3-CG 3.59Å; W161-W175 AromaticContact CZ3-CH2 3.84Å; W161-W175 HydrophobicContact CZ3-CH2 3.84Å; W161-W175 AromaticContact CZ3-CZ2 3.85Å; W161-W175 HydrophobicContact CZ3-CZ2 3.85Å; W161-W175 AromaticContact CZ3-CZ3 3.46Å; W161-W175 HydrophobicContact CZ3-CZ3 3.46Å; W161-W175 VanDerWaalsContact CZ3-CZ3 3.46Å; W161-V176 CarbonylContact C-O 3.57Å; W161-V176 WeakPolarHBondContact CA-O 3.46Å; W161-V176 WeakPolarHBondContact CB-O 3.29Å; W161-E177 HydrophobicContact CE3-CB 3.87Å; W161-E177 HydrophobicContact CE3-CG 4.44Å; W161-E177 HydrophobicContact CZ3-CB 3.93Å; W161-E177 HydrophobicContact CZ3-CG 4.45Å
162V85.1Confident67.3Low9 Ų981.8 Ų81.86%0.05545%0.446CS..PPolyproline II helixtrans-73.8150.1175.2-61.50000110.9V176 V178 C181 P184 C187 M284V162-V176 HydrophobicContact CG2-CB 3.82Å; V162-V176 HydrophobicContact CG2-CG1 3.52Å; V162-V176 PolarHBondContact N-O 2.91Å; V162-V178 HydrophobicContact CB-CG2 4.35Å; V162-V178 HydrophobicContact CG1-CB 3.69Å; V162-V178 HydrophobicContact CG1-CG2 3.74Å; V162-V178 HydrophobicContact CG2-CG2 3.8Å; V162-C181 HydrophobicContact CG1-CB 4.38Å; V162-P184 CarbonylContact C-O 3.58Å; V162-P184 WeakPolarHBondContact CA-O 3.02Å; V162-C187 VanDerWaalsContact CG1-SG 3.58Å; V162-M284 HydrophobicContact CG2-SD 4.27Å
163N82.5Confident69.3Low49 Ų4976.8 Ų76.826%0.26241%0.411SS..PPolyproline II helixtrans-72139.1166.8-160.9-80.5000109.5P184 Y185N163-P184 PolarHBondContact N-O 2.86Å; N163-Y185 HydrophobicContact CB-CD1 3.55Å; N163-Y185 HydrophobicContact CB-CE1 3.87Å; N163-Y185 HydrophobicContact CB-CG 4.32Å; N163-Y185 WeakPolarHBondContact ND2-CE1 3.47Å
164Y84.5Confident71.5Confident63 Ų6370.1 Ų70.125%0.24739%0.385CS..  trans-147.5155.1175.467.5-84000108.6I173 V176 M282 L283Y164-I173 HydrophobicContact CD2-CD1 4.07Å; Y164-I173 HydrophobicContact CE1-CG2 4.09Å; Y164-I173 HydrophobicContact CE2-CB 4.03Å; Y164-I173 HydrophobicContact CE2-CD1 3.46Å; Y164-I173 VanDerWaalsContact CE2-CD1 3.46Å; Y164-I173 HydrophobicContact CE2-CG1 4.33Å; Y164-I173 HydrophobicContact CE2-CG2 3.86Å; Y164-I173 VanDerWaalsContact CZ-CG2 3.43Å; Y164-I173 WeakPolarHBondContact OH-CB 3.49Å; Y164-I173 WeakPolarHBondContact OH-CG2 3.41Å; Y164-V176 HydrophobicContact CD1-CB 3.66Å; Y164-V176 HydrophobicContact CD1-CG2 3.34Å; Y164-V176 HydrophobicContact CD2-CG2 4.22Å; Y164-V176 HydrophobicContact CE1-CB 4.08Å; Y164-V176 HydrophobicContact CE1-CG2 3.52Å; Y164-V176 HydrophobicContact CE2-CG2 4.38Å; Y164-V176 HydrophobicContact CG-CB 4.3Å; Y164-V176 HydrophobicContact CG-CG2 3.73Å; Y164-M282 HydrophobicContact CD2-CB 4.02Å; Y164-L283 CarbonylContact C-O 3.46Å; Y164-L283 WeakPolarHBondContact CA-O 3.25Å
165M73.9Confident74.1Confident13 Ų1369.3 Ų69.36%0.06437%0.365CS..EExtended strand (participates in β ladder)trans-105.6127.3169.5-172.3-173.369.700109.7E7 A31 C167 M282 L283E7-M165 HydrophobicContact CB-SD 4.27Å; A31-M165 HydrophobicContact CB-CE 3.22Å; A31-M165 HydrophobicContact CB-SD 3.47Å; A31-M165 WeakPolarHBondContact CB-SD 3.16Å; A31-M165 PolarHBondContact N-SD 2.82Å; M165-C167 PolarHBondContact O-N 2.87Å; M165-M282 CarbonylContact O-C 3.56Å; M165-M282 WeakPolarHBondContact O-CA 3.4Å; M165-L283 HydrophobicContact CB-CB 4.27Å; M165-L283 HydrophobicContact CE-CB 4.09Å; M165-L283 HydrophobicContact CE-CD1 3.23Å; M165-L283 HydrophobicContact CE-CG 4.24Å; M165-L283 PolarHBondContact N-O 3.19Å; M165-L283 PolarHBondContact O-N 2.9Å
166D83.7Confident76.6Confident67 Ų6763.5 Ų63.536%0.35833%0.326SS..EExtended strand (participates in β ladder)trans-70.7122.6170.6-166.9-27.6000109.9G168 S169 C281D166-G168 PolarHBondContact OD1-N 2.81Å; D166-S169 WeakPolarHBondContact OD1-CB 3.3Å; D166-S169 PolarHBondContact OD1-N 2.73Å; D166-S169 PolarHBondContact OD1-OG 2.95Å; D166-S169 WeakPolarHBondContact OD2-CB 3.25Å; D166-S169 PolarHBondContact OD2-OG 2.89Å; D166-S169 VanDerWaalsContact OD2-OG 3.13Å; D166-C281 WeakPolarHBondContact CA-O 3Å
167C79.9Confident79.3Confident39 Ų3954.7 Ų54.726%0.26429%0.288SS..SBendtrans-107.822.1-177.654.80000114.5M165 C281 M282 L283M165-C167 PolarHBondContact O-N 2.87Å; C167-C281 VanDerWaalsContact C-SG 3.55Å; C167-C281 HydrophobicContact CB-CB 4.06Å; C167-C281 WeakPolarHBondContact CB-SG 3.32Å; C167-C281 PolarHBondContact N-O 2.77Å; C167-C281 PolarHBondContact O-SG 2.74Å; C167-C281 VanDerWaalsContact SG-CA 3.58Å; C167-C281 WeakPolarHBondContact SG-CB 3.28Å; C167-C281 CovalentContact SG-SG 2.04Å; C167-C281 PolarHBondContact SG-SG 2.71Å; C167-M282 PolarHBondContact SG-N 2.77Å; C167-M282 VanDerWaalsContact SG-N 3.37Å; C167-L283 HydrophobicContact CB-CD1 3.64Å; C167-L283 HydrophobicContact CB-CG 4.14Å
168G84.7Confident81.7Confident49 Ų4951.1 Ų51.151%0.50527%0.269SS..SBendtrans121.141.5178.300000113.2D166 T278D166-G168 PolarHBondContact OD1-N 2.81Å; G168-T278 WeakPolarHBondContact O-CG2 3.04Å
169S91.1Very high84Confident24 Ų2451.7 Ų51.717%0.16825%0.248CC..  trans-67.9138.8170.3-52.20000110.1D166 A171 Q279 I280 C281D166-S169 WeakPolarHBondContact OD1-CB 3.3Å; D166-S169 PolarHBondContact OD1-N 2.73Å; D166-S169 PolarHBondContact OD1-OG 2.95Å; D166-S169 WeakPolarHBondContact OD2-CB 3.25Å; D166-S169 PolarHBondContact OD2-OG 2.89Å; D166-S169 VanDerWaalsContact OD2-OG 3.13Å; S169-A171 WeakPolarHBondContact CB-O 3.18Å; S169-Q279 CarbonylContact C-O 3.58Å; S169-Q279 WeakPolarHBondContact CA-O 3.38Å; S169-Q279 WeakPolarHBondContact CB-O 3.35Å; S169-I280 WeakPolarHBondContact OG-CA 3.24Å; S169-C281 PolarHBondContact OG-N 3.41Å; S169-C281 PolarHBondContact OG-O 3.47Å; S169-C281 VanDerWaalsContact OG-O 3.1Å
170R91.1Very high85.9Confident74 Ų7450.4 Ų50.428%0.27925%0.254SS..SBendtrans-88.8-30.3166.5-68.8-173.6-62.2133.35.4111.2N204 D205 D273 R277 T278 Q279R170-N204 PolarHBondContact O-ND2 2.76Å; R170-D205 IonicContact CZ-OD2 2.71Å; R170-D205 IonicContact NH1-OD2 3.9Å; R170-D205 PolarHBondContact NH1-OD2 2.7Å; R170-D273 IonicContact CZ-OD2 2.76Å; R170-D273 IonicContact NH1-OD2 2.69Å; R170-D273 IonicContact NH2-OD2 3.52Å; R170-D273 PolarHBondContact NH2-OD2 2.82Å; R170-R277 PolarHBondContact NH2-O 2.03Å; R170-T278 WeakPolarHBondContact CG-O 3.32Å; R170-T278 PolarHBondContact NE-O 3.47Å; R170-T278 PolarHBondContact NH2-O 3.11Å; R170-Q279 PolarHBondContact N-O 2.79Å
171A90.2Very high87Confident4 Ų446.2 Ų46.23%0.03324%0.238CC..SBendtrans-84.6154.1174.700000110.8S169 I173 F201 V202 P203 Q279 I280S169-A171 WeakPolarHBondContact CB-O 3.18Å; A171-I173 PolarHBondContact O-N 2.81Å; A171-F201 HydrophobicContact CB-CD2 3.77Å; A171-F201 HydrophobicContact CB-CE2 4.46Å; A171-V202 CarbonylContact C-O 3.58Å; A171-V202 WeakPolarHBondContact CA-O 3.37Å; A171-V202 VanDerWaalsContact CB-O 3.32Å; A171-V202 WeakPolarHBondContact CB-O 3.43Å; A171-P203 HydrophobicContact CB-CB 4.44Å; A171-Q279 WeakPolarHBondContact CB-O 3.4Å; A171-Q279 PolarHBondContact N-O 2.73Å; A171-I280 HydrophobicContact CB-CD1 3.72Å
172K88.2Confident87.1Confident86 Ų8644.1 Ų44.137%0.37424%0.235SC..EExtended strand (participates in β ladder)trans-82.1114.9175.3-179.6179.6179.7177.80109.8L174 F201 V202K172-L174 HydrophobicContact CD-CD2 4.29Å; K172-L174 HydrophobicContact CG-CD2 4.32Å; K172-F201 CarbonylContact O-C 3.44Å; K172-F201 WeakPolarHBondContact O-CA 3.39Å; K172-F201 WeakPolarHBondContact O-CB 3.12Å; K172-V202 HydrophobicContact CB-CB 4.38Å; K172-V202 PolarHBondContact N-O 2.88Å; K172-V202 PolarHBondContact O-N 2.98Å
173I88.6Confident87Confident15 Ų1544.9 Ų44.98%0.07724%0.239CC..EExtended strand (participates in β ladder)trans-73.3131.7169.9-56.8164.2000108.5Y164 A171 V176 V199 I280 M282Y164-I173 HydrophobicContact CD2-CD1 4.07Å; Y164-I173 HydrophobicContact CE1-CG2 4.09Å; Y164-I173 HydrophobicContact CE2-CB 4.03Å; Y164-I173 HydrophobicContact CE2-CD1 3.46Å; Y164-I173 VanDerWaalsContact CE2-CD1 3.46Å; Y164-I173 HydrophobicContact CE2-CG1 4.33Å; Y164-I173 HydrophobicContact CE2-CG2 3.86Å; Y164-I173 VanDerWaalsContact CZ-CG2 3.43Å; Y164-I173 WeakPolarHBondContact OH-CB 3.49Å; Y164-I173 WeakPolarHBondContact OH-CG2 3.41Å; A171-I173 PolarHBondContact O-N 2.81Å; I173-V176 HydrophobicContact CG2-CG2 3.83Å; I173-V199 HydrophobicContact CG2-CG1 4.49Å; I173-I280 HydrophobicContact CD1-CD1 4.21Å; I173-I280 HydrophobicContact CD1-CG2 4.01Å; I173-I280 HydrophobicContact CG1-CD1 3.51Å; I173-I280 HydrophobicContact CG1-CG2 4.33Å; I173-M282 HydrophobicContact CD1-CE 4.45Å
174L86Confident86.9Confident76 Ų7643.9 Ų43.940%0.39824%0.235SC..EExtended strand (participates in β ladder)trans-92.5-47.1174.1-59.4-172.8000110.6K172 R200 V202 A247K172-L174 HydrophobicContact CD-CD2 4.29Å; K172-L174 HydrophobicContact CG-CD2 4.32Å; L174-R200 HydrophobicContact CB-CB 4.17Å; L174-R200 HydrophobicContact CB-CG 3.8Å; L174-R200 HydrophobicContact CD1-CG 3.82Å; L174-R200 HydrophobicContact CG-CG 4.19Å; L174-R200 PolarHBondContact N-O 2.83Å; L174-V202 HydrophobicContact CD1-CG2 3.9Å; L174-V202 HydrophobicContact CD2-CG2 4Å; L174-V202 HydrophobicContact CG-CG2 4.03Å; L174-A247 HydrophobicContact CD1-CB 3.91Å
175W90Very high86.5Confident57 Ų5745.3 Ų45.322%0.21624%0.24CC..EExtended strand (participates in β ladder)trans-161.116217651-110.1000111.3W161 E177 F198 R200 T249W161-W175 HydrophobicContact CD2-CB 3.64Å; W161-W175 HydrophobicContact CD2-CD2 4.27Å; W161-W175 AromaticContact CD2-CG 3.92Å; W161-W175 HydrophobicContact CD2-CG 3.92Å; W161-W175 HydrophobicContact CE3-CB 3.63Å; W161-W175 AromaticContact CE3-CD2 3.52Å; W161-W175 HydrophobicContact CE3-CD2 3.52Å; W161-W175 AromaticContact CE3-CE3 3.46Å; W161-W175 HydrophobicContact CE3-CE3 3.46Å; W161-W175 VanDerWaalsContact CE3-CE3 3.46Å; W161-W175 AromaticContact CE3-CG 3.65Å; W161-W175 HydrophobicContact CE3-CG 3.65Å; W161-W175 HydrophobicContact CE3-CZ3 4.22Å; W161-W175 HydrophobicContact CG-CB 4.08Å; W161-W175 AromaticContact CH2-CD1 3.87Å; W161-W175 AromaticContact CH2-CD2 3.41Å; W161-W175 HydrophobicContact CH2-CD2 3.41Å; W161-W175 VanDerWaalsContact CH2-CD2 3.41Å; W161-W175 AromaticContact CH2-CE2 3.32Å; W161-W175 AromaticContact CH2-CE3 3.87Å; W161-W175 HydrophobicContact CH2-CE3 3.87Å; W161-W175 AromaticContact CH2-CG 3.75Å; W161-W175 HydrophobicContact CH2-CG 3.75Å; W161-W175 HydrophobicContact CH2-CH2 4.15Å; W161-W175 AromaticContact CH2-CZ2 3.73Å; W161-W175 HydrophobicContact CH2-CZ2 3.73Å; W161-W175 HydrophobicContact CH2-CZ3 4.21Å; W161-W175 AromaticContact CH2-NE1 3.62Å; W161-W175 AromaticContact CZ2-CD1 3.93Å; W161-W175 HydrophobicContact CZ2-CD2 4.16Å; W161-W175 HydrophobicContact CZ2-CG 4.01Å; W161-W175 HydrophobicContact CZ3-CB 4.13Å; W161-W175 AromaticContact CZ3-CD2 3.06Å; W161-W175 HydrophobicContact CZ3-CD2 3.06Å; W161-W175 AromaticContact CZ3-CE2 3.47Å; W161-W175 VanDerWaalsContact CZ3-CE2 3.47Å; W161-W175 AromaticContact CZ3-CE3 3.05Å; W161-W175 HydrophobicContact CZ3-CE3 3.05Å; W161-W175 AromaticContact CZ3-CG 3.59Å; W161-W175 HydrophobicContact CZ3-CG 3.59Å; W161-W175 AromaticContact CZ3-CH2 3.84Å; W161-W175 HydrophobicContact CZ3-CH2 3.84Å; W161-W175 AromaticContact CZ3-CZ2 3.85Å; W161-W175 HydrophobicContact CZ3-CZ2 3.85Å; W161-W175 AromaticContact CZ3-CZ3 3.46Å; W161-W175 HydrophobicContact CZ3-CZ3 3.46Å; W161-W175 VanDerWaalsContact CZ3-CZ3 3.46Å; W175-E177 HydrophobicContact CE3-CB 4.38Å; W175-E177 HydrophobicContact CZ3-CB 4.19Å; W175-F198 HydrophobicContact CH2-CB 4.27Å; W175-F198 HydrophobicContact CZ3-CB 3.7Å; W175-R200 HydrophobicContact CD2-CB 3.25Å; W175-R200 HydrophobicContact CD2-CG 4.13Å; W175-R200 HydrophobicContact CE3-CB 3.65Å; W175-R200 HydrophobicContact CG-CB 3.77Å; W175-R200 HydrophobicContact CG-CG 4.43Å; W175-R200 HydrophobicContact CH2-CB 3.91Å; W175-R200 HydrophobicContact CZ2-CB 3.53Å; W175-R200 HydrophobicContact CZ2-CG 3.94Å; W175-R200 HydrophobicContact CZ3-CB 3.96Å; W175-R200 PolarHBondContact N-O 2.76Å; W175-R200 PolarHBondContact O-N 2.83Å; W175-T249 HydrophobicContact CH2-CG2 3.78Å; W175-T249 HydrophobicContact CZ3-CG2 4.34Å
176V90.7Very high86.9Confident0 Ų045.2 Ų45.20%024%0.24CC..EExtended strand (participates in β ladder)trans-129.3138.5173.3-175.40000108.3W161 V162 Y164 I173 L197 F198 V199 M282 M284W161-V176 CarbonylContact C-O 3.57Å; W161-V176 WeakPolarHBondContact CA-O 3.46Å; W161-V176 WeakPolarHBondContact CB-O 3.29Å; V162-V176 HydrophobicContact CG2-CB 3.82Å; V162-V176 HydrophobicContact CG2-CG1 3.52Å; V162-V176 PolarHBondContact N-O 2.91Å; Y164-V176 HydrophobicContact CD1-CB 3.66Å; Y164-V176 HydrophobicContact CD1-CG2 3.34Å; Y164-V176 HydrophobicContact CD2-CG2 4.22Å; Y164-V176 HydrophobicContact CE1-CB 4.08Å; Y164-V176 HydrophobicContact CE1-CG2 3.52Å; Y164-V176 HydrophobicContact CE2-CG2 4.38Å; Y164-V176 HydrophobicContact CG-CB 4.3Å; Y164-V176 HydrophobicContact CG-CG2 3.73Å; I173-V176 HydrophobicContact CG2-CG2 3.83Å; V176-L197 HydrophobicContact CG1-CD1 3.59Å; V176-F198 WeakPolarHBondContact CA-O 3.28Å; V176-V199 HydrophobicContact CG1-CG2 4.44Å; V176-V199 HydrophobicContact CG2-CG1 4.46Å; V176-M282 HydrophobicContact CG1-SD 3.9Å; V176-M282 HydrophobicContact CG2-CE 3.92Å; V176-M282 HydrophobicContact CG2-SD 3.91Å; V176-M284 HydrophobicContact CG1-SD 3.88Å
177E91.3Very high87.1Confident12 Ų1242.4 Ų42.46%0.05623%0.225CC..EExtended strand (participates in β ladder)trans-131.6138.8178.2-171.1179.8-169.900109.5W161 W175 R179 L197 F198W161-E177 HydrophobicContact CE3-CB 3.87Å; W161-E177 HydrophobicContact CE3-CG 4.44Å; W161-E177 HydrophobicContact CZ3-CB 3.93Å; W161-E177 HydrophobicContact CZ3-CG 4.45Å; W175-E177 HydrophobicContact CE3-CB 4.38Å; W175-E177 HydrophobicContact CZ3-CB 4.19Å; E177-R179 HydrophobicContact CG-CG 4.24Å; E177-R179 IonicContact OE1-CZ 3.81Å; E177-R179 IonicContact OE1-NE 3.5Å; E177-R179 PolarHBondContact OE1-NE 2.83Å; E177-R179 IonicContact OE1-NH2 3.3Å; E177-R179 PolarHBondContact OE1-NH2 2.93Å; E177-R179 IonicContact OE2-CZ 2.78Å; E177-R179 IonicContact OE2-NE 2.76Å; E177-R179 IonicContact OE2-NH2 3.41Å; E177-R179 PolarHBondContact OE2-NH2 2.76Å; E177-L197 WeakPolarHBondContact O-CA 3.43Å; E177-F198 HydrophobicContact CB-CB 4.12Å; E177-F198 HydrophobicContact CB-CD2 4.3Å; E177-F198 HydrophobicContact CG-CD2 4.48Å; E177-F198 PolarHBondContact N-O 3.37Å; E177-F198 PolarHBondContact O-N 3.13Å
178V91.4Very high87.5Confident18 Ų1840.9 Ų40.911%0.10922%0.215CC..EExtended strand (participates in β ladder)trans-122132.5173.71780000108.1V162 C181 V195 E196 L197 M284V162-V178 HydrophobicContact CB-CG2 4.35Å; V162-V178 HydrophobicContact CG1-CB 3.69Å; V162-V178 HydrophobicContact CG1-CG2 3.74Å; V162-V178 HydrophobicContact CG2-CG2 3.8Å; V178-C181 HydrophobicContact CB-CB 4.23Å; V178-C181 HydrophobicContact CG1-CB 4.42Å; V178-C181 WeakPolarHBondContact O-CB 3.06Å; V178-V195 HydrophobicContact CG1-CG1 3.33Å; V178-E196 CarbonylContact C-O 3.39Å; V178-E196 VanDerWaalsContact CA-O 3.29Å; V178-E196 WeakPolarHBondContact CA-O 3.34Å; V178-L197 HydrophobicContact CG2-CD1 3.89Å; V178-M284 HydrophobicContact CG2-SD 4.37Å
179R91.9Very high87.8Confident89 Ų8939.8 Ų39.834%0.33620%0.198SC..EExtended strand (participates in β ladder)trans-129.1131.4179.7-64-172.3-176.8163.48.1112E177 V195 E196 F198E177-R179 HydrophobicContact CG-CG 4.24Å; E177-R179 IonicContact OE1-CZ 3.81Å; E177-R179 IonicContact OE1-NE 3.5Å; E177-R179 PolarHBondContact OE1-NE 2.83Å; E177-R179 IonicContact OE1-NH2 3.3Å; E177-R179 PolarHBondContact OE1-NH2 2.93Å; E177-R179 IonicContact OE2-CZ 2.78Å; E177-R179 IonicContact OE2-NE 2.76Å; E177-R179 IonicContact OE2-NH2 3.41Å; E177-R179 PolarHBondContact OE2-NH2 2.76Å; R179-V195 CarbonylContact O-C 3.58Å; R179-V195 WeakPolarHBondContact O-CA 3.42Å; R179-E196 HydrophobicContact CB-CB 4.38Å; R179-E196 PolarHBondContact N-O 3.36Å; R179-E196 PolarHBondContact O-N 3.02Å; R179-F198 HydrophobicContact CB-CE2 4.39Å; R179-F198 HydrophobicContact CG-CE2 4.02Å
180P91.8Very high87.9Confident86 Ų8639.7 Ų39.756%0.55820%0.196SC*.SBendcis-67.2153.7-15.331-34.7000111
181C87.3Confident88Confident39 Ų3938.4 Ų38.426%0.26419%0.192SC..  trans-145.7134.5168.6-177.90000108.5V162 V178 D183 C187V162-C181 HydrophobicContact CG1-CB 4.38Å; V178-C181 HydrophobicContact CB-CB 4.23Å; V178-C181 HydrophobicContact CG1-CB 4.42Å; V178-C181 WeakPolarHBondContact O-CB 3.06Å; C181-D183 VanDerWaalsContact SG-C 3.54Å; C181-D183 PolarHBondContact SG-O 2.96Å; C181-C187 HydrophobicContact CB-CB 3.85Å; C181-C187 WeakPolarHBondContact CB-SG 3.31Å; C181-C187 WeakPolarHBondContact SG-CB 3.36Å; C181-C187 CovalentContact SG-SG 2.04Å; C181-C187 PolarHBondContact SG-SG 2.83Å
182D85.5Confident88.1Confident57 Ų5739.4 Ų39.431%0.30520%0.203SC..SBendtrans-107.8-26.4-176.359.3-38.7000112.9T188 F293D182-T188 VanDerWaalsContact CG-OG1 3.27Å; D182-T188 WeakPolarHBondContact OD1-CB 3.48Å; D182-T188 PolarHBondContact OD1-N 2.77Å; D182-T188 PolarHBondContact OD1-OG1 3.46Å; D182-T188 WeakPolarHBondContact OD2-CB 3.08Å; D182-T188 PolarHBondContact OD2-OG1 3.29Å; D182-F293 VanDerWaalsContact OD2-CB 3.25Å; D182-F293 WeakPolarHBondContact OD2-CB 3.13Å
183D81.7Confident88.4Confident26 Ų2637.8 Ų37.814%0.13920%0.201CC..  trans-130.7113.1172.2-176.2-19.3000108.7C181 Y185 N186 C187C181-D183 VanDerWaalsContact SG-C 3.54Å; C181-D183 PolarHBondContact SG-O 2.96Å; D183-Y185 PolarHBondContact O-N 2.04Å; D183-Y185 WeakPolarHBondContact OD1-CB 3.34Å; D183-Y185 PolarHBondContact OD1-N 3.14Å; D183-N186 CarbonylContact O-C 3.51Å; D183-N186 PolarHBondContact O-N 2.89Å; D183-C187 PolarHBondContact O-N 2.65Å
184P81.2Confident88.6Confident28 Ų2840.2 Ų40.218%0.18221%0.214CC..THydrogen-bonded Turntrans-52.3-22.4179.2-30.737.8000114.8E160 V162 N163E160-P184 HydrophobicContact CB-CG 3.95Å; E160-P184 WeakPolarHBondContact OE2-CG 3.33Å; V162-P184 CarbonylContact C-O 3.58Å; V162-P184 WeakPolarHBondContact CA-O 3.02Å; N163-P184 PolarHBondContact N-O 2.86Å
185Y77.1Confident88.9Confident92 Ų9237 Ų3736%0.36120%0.197SC..THydrogen-bonded Turntrans-96.6-21.2-178.3-67.8-79000113.7W8 N163 D183W8-Y185 HydrophobicContact CH2-CD1 4.5Å; W8-Y185 HydrophobicContact CH2-CG 4.49Å; W8-Y185 WeakPolarHBondContact CH2-O 3.33Å; W8-Y185 VanDerWaalsContact CZ2-CB 3.47Å; W8-Y185 AromaticContact CZ2-CD1 3.51Å; W8-Y185 HydrophobicContact CZ2-CD1 3.51Å; W8-Y185 AromaticContact CZ2-CG 3.89Å; W8-Y185 HydrophobicContact CZ2-CG 3.89Å; W8-Y185 WeakPolarHBondContact CZ3-O 3.13Å; N163-Y185 HydrophobicContact CB-CD1 3.55Å; N163-Y185 HydrophobicContact CB-CE1 3.87Å; N163-Y185 HydrophobicContact CB-CG 4.32Å; N163-Y185 WeakPolarHBondContact ND2-CE1 3.47Å; D183-Y185 PolarHBondContact O-N 2.04Å; D183-Y185 WeakPolarHBondContact OD1-CB 3.34Å; D183-Y185 PolarHBondContact OD1-N 3.14Å
186N81Confident89Confident12 Ų1236.6 Ų36.66%0.06420%0.198CC..SBendtrans-157.659.5-171.6-17435000111.9D183 T188 G286 H287D183-N186 CarbonylContact O-C 3.51Å; D183-N186 PolarHBondContact O-N 2.89Å; N186-T188 PolarHBondContact O-N 3.07Å; N186-G286 WeakPolarHBondContact OD1-CA 3.49Å; N186-G286 PolarHBondContact OD1-O 3.49Å; N186-H287 PolarHBondContact ND2-ND1 2.79Å; N186-H287 VanDerWaalsContact ND2-ND1 3.16Å; N186-H287 PolarHBondContact O-CE1 3.39Å; N186-H287 PolarHBondContact O-ND1 2.86Å; N186-H287 PolarHBondContact OD1-N 2.88Å; N186-H287 PolarHBondContact OD1-ND1 2.93Å
187C87.6Confident89.1Confident7 Ų736.8 Ų36.85%0.04720%0.199CC..EExtended strand (participates in β ladder)trans-50.8136.6-176.7-52.40000112.2V162 C181 D183 L189 G286 H287V162-C187 VanDerWaalsContact CG1-SG 3.58Å; C181-C187 HydrophobicContact CB-CB 3.85Å; C181-C187 WeakPolarHBondContact CB-SG 3.31Å; C181-C187 WeakPolarHBondContact SG-CB 3.36Å; C181-C187 CovalentContact SG-SG 2.04Å; C181-C187 PolarHBondContact SG-SG 2.83Å; D183-C187 PolarHBondContact O-N 2.65Å; C187-L189 HydrophobicContact CB-CD2 4.36Å; C187-L189 PolarHBondContact O-N 3.48Å; C187-G286 WeakPolarHBondContact O-CA 3.39Å; C187-H287 PolarHBondContact O-N 2.89Å
188T88.8Confident89.1Confident8 Ų837.2 Ų37.25%0.04920%0.2CC..EExtended strand (participates in β ladder)trans-74108.2171.3-58.70000110D182 N186 V190 H287 A289D182-T188 VanDerWaalsContact CG-OG1 3.27Å; D182-T188 WeakPolarHBondContact OD1-CB 3.48Å; D182-T188 PolarHBondContact OD1-N 2.77Å; D182-T188 PolarHBondContact OD1-OG1 3.46Å; D182-T188 WeakPolarHBondContact OD2-CB 3.08Å; D182-T188 PolarHBondContact OD2-OG1 3.29Å; N186-T188 PolarHBondContact O-N 3.07Å; T188-V190 HydrophobicContact CG2-CG2 4.11Å; T188-V190 PolarHBondContact O-N 2.65Å; T188-H287 PolarHBondContact OG1-CE1 3.37Å; T188-H287 PolarHBondContact OG1-NE2 3.4Å; T188-A289 HydrophobicContact CG2-CB 3.89Å
189L91.8Very high89.1Confident26 Ų2636.3 Ų36.314%0.13620%0.195CC..EExtended strand (participates in β ladder)trans-91.194.6175.6-53.5-174.9000109.3C187 K191 V195 V256 V265 H287 I288 A289C187-L189 HydrophobicContact CB-CD2 4.36Å; C187-L189 PolarHBondContact O-N 3.48Å; L189-K191 PolarHBondContact O-N 2.61Å; L189-V195 HydrophobicContact CD2-CG1 4.27Å; L189-V195 HydrophobicContact CD2-CG2 4.08Å; L189-V256 HydrophobicContact CB-CG1 4.38Å; L189-V256 HydrophobicContact CB-CG2 4.05Å; L189-V265 HydrophobicContact CD1-CG1 3.67Å; L189-H287 PolarHBondContact N-O 2.96Å; L189-I288 HydrophobicContact CB-CG1 4.22Å; L189-I288 WeakPolarHBondContact O-CA 2.97Å; L189-A289 PolarHBondContact O-N 3.15Å
190V92.3Very high89Confident22 Ų2235.1 Ų35.113%0.13319%0.191CC..EExtended strand (participates in β ladder)trans-69.3131.9-176.7-175.70000110.8T188 T193 V256 A289 D290 P292T188-V190 HydrophobicContact CG2-CG2 4.11Å; T188-V190 PolarHBondContact O-N 2.65Å; V190-T193 HydrophobicContact CB-CG2 3.88Å; V190-T193 HydrophobicContact CG1-CG2 3.78Å; V190-T193 PolarHBondContact O-N 2.8Å; V190-T193 PolarHBondContact O-OG1 3.4Å; V190-V256 WeakPolarHBondContact O-CB 3.46Å; V190-A289 CarbonylContact C-O 3.54Å; V190-A289 WeakPolarHBondContact CA-O 3.39Å; V190-D290 WeakPolarHBondContact CG1-O 3.37Å; V190-P292 HydrophobicContact CG2-CB 4.1Å
191K92.8Very high88.9Confident47 Ų4731 Ų3120%0.20416%0.164CC..THydrogen-bonded Turntrans-63.7137.3179.1-65.3179.6101.9-173.80112.2L189 T193 K258 Y260 I288 A289 D290L189-K191 PolarHBondContact O-N 2.61Å; K191-T193 VanDerWaalsContact C-N 3.26Å; K191-T193 PolarHBondContact O-N 3.07Å; K191-K258 WeakPolarHBondContact CE-O 3.49Å; K191-K258 PolarHBondContact NZ-O 2.96Å; K191-Y260 WeakPolarHBondContact CE-O 3.36Å; K191-Y260 PolarHBondContact NZ-O 2.96Å; K191-I288 HydrophobicContact CD-CG2 4.06Å; K191-I288 HydrophobicContact CG-CG2 3.5Å; K191-I288 VanDerWaalsContact CG-CG2 3.5Å; K191-A289 WeakPolarHBondContact CG-O 3.29Å; K191-A289 PolarHBondContact N-O 3.36Å; K191-D290 WeakPolarHBondContact CD-OD1 3.42Å
192G92.9Very high88.9Confident25 Ų2530.4 Ų30.426%0.25816%0.159SC..THydrogen-bonded Turntrans77.96.1179.700000114.5V256G192-V256 VanDerWaalsContact CA-O 3.27Å; G192-V256 WeakPolarHBondContact CA-O 3.33Å; G192-V256 PolarHBondContact N-O 2.94Å
193T94.1Very high89.1Confident52 Ų5227.7 Ų27.732%0.31914%0.144SC..  trans-108.7169.3179.173.40000111.7V190 K191 V256V190-T193 HydrophobicContact CB-CG2 3.88Å; V190-T193 HydrophobicContact CG1-CG2 3.78Å; V190-T193 PolarHBondContact O-N 2.8Å; V190-T193 PolarHBondContact O-OG1 3.4Å; K191-T193 VanDerWaalsContact C-N 3.26Å; K191-T193 PolarHBondContact O-N 3.07Å; T193-V256 PolarHBondContact O-N 3.1Å
194D93.1Very high89.4Confident66 Ų6631.5 Ų31.535%0.35316%0.164SC..EExtended strand (participates in β ladder)trans-103.6141.6175.4-67.1-43.6000111.4K253 F254 H255D194-K253 HydrophobicContact CB-CD 4.33Å; D194-K253 HydrophobicContact CB-CG 4.23Å; D194-K253 WeakPolarHBondContact OD2-CE 3.2Å; D194-K253 IonicContact OD2-NZ 3.89Å; D194-K253 PolarHBondContact OD2-NZ 3.29Å; D194-F254 WeakPolarHBondContact CA-O 3.25Å; D194-H255 IonicContact OD1-CE1 2.73Å; D194-H255 IonicContact OD1-CG 3.76Å; D194-H255 IonicContact OD1-ND1 2.61Å; D194-H255 PolarHBondContact OD1-ND1 3.46Å
195V92.4Very high89.8Confident9 Ų933 Ų336%0.05517%0.171CC..EExtended strand (participates in β ladder)trans-124133.1178.6-178.90000109V178 R179 L189 K253 F254 V256V178-V195 HydrophobicContact CG1-CG1 3.33Å; R179-V195 CarbonylContact O-C 3.58Å; R179-V195 WeakPolarHBondContact O-CA 3.42Å; L189-V195 HydrophobicContact CD2-CG1 4.27Å; L189-V195 HydrophobicContact CD2-CG2 4.08Å; V195-K253 CarbonylContact O-C 3.45Å; V195-K253 WeakPolarHBondContact O-CA 3.34Å; V195-F254 PolarHBondContact N-O 3.37Å; V195-F254 PolarHBondContact O-N 2.75Å; V195-V256 HydrophobicContact CG2-CG2 3.85Å
196E92.6Very high90.4Very high47 Ų4731.6 Ų31.622%0.2217%0.172CC..EExtended strand (participates in β ladder)trans-101.1134.1177-56.3-158.298.400110.9V178 R179 F198 R251 T252V178-E196 CarbonylContact C-O 3.39Å; V178-E196 VanDerWaalsContact CA-O 3.29Å; V178-E196 WeakPolarHBondContact CA-O 3.34Å; R179-E196 HydrophobicContact CB-CB 4.38Å; R179-E196 PolarHBondContact N-O 3.36Å; R179-E196 PolarHBondContact O-N 3.02Å; E196-F198 HydrophobicContact CB-CD2 4.45Å; E196-F198 HydrophobicContact CB-CE2 3.62Å; E196-F198 HydrophobicContact CB-CZ 4.09Å; E196-R251 VanDerWaalsContact CD-NH2 3.26Å; E196-R251 IonicContact OE1-CZ 2.62Å; E196-R251 IonicContact OE1-NE 3.75Å; E196-R251 PolarHBondContact OE1-NE 3.3Å; E196-R251 IonicContact OE1-NH2 3.99Å; E196-R251 PolarHBondContact OE1-NH2 2.96Å; E196-R251 IonicContact OE2-CZ 3.53Å; E196-R251 IonicContact OE2-NH2 3.82Å; E196-R251 PolarHBondContact OE2-NH2 2.84Å; E196-R251 VanDerWaalsContact OE2-NH2 3.07Å; E196-T252 CarbonylContact C-O 3.56Å; E196-T252 WeakPolarHBondContact CA-O 3.16Å
197L92.5Very high90.8Very high4 Ų431 Ų312%0.02117%0.169CC..EExtended strand (participates in β ladder)trans-111.8129.1174.1174.468.8000109.1V176 E177 V178 V199 R251 T252 F254 F269 M284V176-L197 HydrophobicContact CG1-CD1 3.59Å; E177-L197 WeakPolarHBondContact O-CA 3.43Å; V178-L197 HydrophobicContact CG2-CD1 3.89Å; L197-V199 HydrophobicContact CD1-CG2 4.26Å; L197-V199 HydrophobicContact CD2-CG2 4.2Å; L197-V199 HydrophobicContact CG-CG2 4.01Å; L197-R251 CarbonylContact O-C 3.43Å; L197-R251 WeakPolarHBondContact O-CA 3.32Å; L197-T252 HydrophobicContact CB-CG2 3.98Å; L197-T252 HydrophobicContact CD2-CG2 4.28Å; L197-T252 PolarHBondContact N-O 2.77Å; L197-T252 PolarHBondContact O-N 3.4Å; L197-F254 HydrophobicContact CB-CD2 4.21Å; L197-F254 HydrophobicContact CB-CE2 3.77Å; L197-F254 HydrophobicContact CD2-CE2 3.79Å; L197-F254 HydrophobicContact CD2-CZ 4.34Å; L197-F254 HydrophobicContact CG-CE2 4.43Å; L197-F269 HydrophobicContact CD2-CD1 3.99Å; L197-F269 HydrophobicContact CD2-CD2 3.76Å; L197-F269 HydrophobicContact CD2-CE1 4.1Å; L197-F269 HydrophobicContact CD2-CE2 3.9Å; L197-F269 HydrophobicContact CD2-CG 3.82Å; L197-F269 HydrophobicContact CD2-CZ 4.09Å; L197-M284 HydrophobicContact CD1-CE 3.97Å; L197-M284 HydrophobicContact CD1-SD 3.94Å; L197-M284 HydrophobicContact CD2-CE 4.14Å
198F91.9Very high90.8Very high21 Ų2133.9 Ų33.99%0.09219%0.187CC..EExtended strand (participates in β ladder)trans-118.8133.6172.9-52.3-105.2000109.5W175 V176 E177 R179 E196 T249 Y250 R251W175-F198 HydrophobicContact CH2-CB 4.27Å; W175-F198 HydrophobicContact CZ3-CB 3.7Å; V176-F198 WeakPolarHBondContact CA-O 3.28Å; E177-F198 HydrophobicContact CB-CB 4.12Å; E177-F198 HydrophobicContact CB-CD2 4.3Å; E177-F198 HydrophobicContact CG-CD2 4.48Å; E177-F198 PolarHBondContact N-O 3.37Å; E177-F198 PolarHBondContact O-N 3.13Å; R179-F198 HydrophobicContact CB-CE2 4.39Å; R179-F198 HydrophobicContact CG-CE2 4.02Å; E196-F198 HydrophobicContact CB-CD2 4.45Å; E196-F198 HydrophobicContact CB-CE2 3.62Å; E196-F198 HydrophobicContact CB-CZ 4.09Å; F198-T249 HydrophobicContact CB-CG2 4.4Å; F198-Y250 CarbonylContact C-O 3.58Å; F198-Y250 VanDerWaalsContact CA-O 3.28Å; F198-Y250 WeakPolarHBondContact CA-O 3.34Å; F198-R251 HydrophobicContact CD1-CB 4.09Å; F198-R251 HydrophobicContact CD1-CG 3.91Å; F198-R251 HydrophobicContact CE1-CB 4.27Å; F198-R251 HydrophobicContact CE1-CG 3.65Å; F198-R251 HydrophobicContact CZ-CG 4.17Å
199V91.5Very high90.7Very high0 Ų035.1 Ų35.10%020%0.195CC..EExtended strand (participates in β ladder)trans-130.7113.5-179.8-177.30000108.6I173 V176 L197 F201 T249 Y250 F269 I280 M282I173-V199 HydrophobicContact CG2-CG1 4.49Å; V176-V199 HydrophobicContact CG1-CG2 4.44Å; V176-V199 HydrophobicContact CG2-CG1 4.46Å; L197-V199 HydrophobicContact CD1-CG2 4.26Å; L197-V199 HydrophobicContact CD2-CG2 4.2Å; L197-V199 HydrophobicContact CG-CG2 4.01Å; V199-F201 HydrophobicContact CG1-CD1 4.15Å; V199-T249 CarbonylContact O-C 3.58Å; V199-T249 WeakPolarHBondContact O-CA 2.98Å; V199-Y250 PolarHBondContact N-O 3.29Å; V199-Y250 PolarHBondContact O-N 2.87Å; V199-F269 HydrophobicContact CG2-CE1 4.2Å; V199-I280 HydrophobicContact CG1-CG2 4.37Å; V199-M282 HydrophobicContact CB-CE 3.99Å; V199-M282 HydrophobicContact CG1-CE 3.41Å; V199-M282 VanDerWaalsContact CG1-CE 3.41Å; V199-M282 HydrophobicContact CG2-CE 3.33Å; V199-M282 HydrophobicContact CG2-SD 4.11Å
200R89.2Confident90.5Very high64 Ų6434 Ų3424%0.24219%0.19CC..EExtended strand (participates in β ladder)trans-94.6125.8173.1-173.781.8175.1131.32.5109.4L174 W175 A247 V248 T249L174-R200 HydrophobicContact CB-CB 4.17Å; L174-R200 HydrophobicContact CB-CG 3.8Å; L174-R200 HydrophobicContact CD1-CG 3.82Å; L174-R200 HydrophobicContact CG-CG 4.19Å; L174-R200 PolarHBondContact N-O 2.83Å; W175-R200 HydrophobicContact CD2-CB 3.25Å; W175-R200 HydrophobicContact CD2-CG 4.13Å; W175-R200 HydrophobicContact CE3-CB 3.65Å; W175-R200 HydrophobicContact CG-CB 3.77Å; W175-R200 HydrophobicContact CG-CG 4.43Å; W175-R200 HydrophobicContact CH2-CB 3.91Å; W175-R200 HydrophobicContact CZ2-CB 3.53Å; W175-R200 HydrophobicContact CZ2-CG 3.94Å; W175-R200 HydrophobicContact CZ3-CB 3.96Å; W175-R200 PolarHBondContact N-O 2.76Å; W175-R200 PolarHBondContact O-N 2.83Å; R200-A247 VanDerWaalsContact CZ-C 3.46Å; R200-A247 PolarHBondContact NH1-O 2.65Å; R200-A247 PolarHBondContact NH2-O 3.19Å; R200-A247 VanDerWaalsContact NH2-O 3.15Å; R200-V248 WeakPolarHBondContact CA-O 3.43Å; R200-V248 PolarHBondContact NH1-O 3.18Å; R200-T249 WeakPolarHBondContact CD-OG1 3.2Å; R200-T249 PolarHBondContact NH1-OG1 3.44Å
201F88.9Confident90.4Very high0 Ų035 Ų350%020%0.195CC..EExtended strand (participates in β ladder)trans-149.8163.3-179.168.4-83.9000112.9A171 K172 V199 P203 L210 A247 V248 L271 I280A171-F201 HydrophobicContact CB-CD2 3.77Å; A171-F201 HydrophobicContact CB-CE2 4.46Å; K172-F201 CarbonylContact O-C 3.44Å; K172-F201 WeakPolarHBondContact O-CA 3.39Å; K172-F201 WeakPolarHBondContact O-CB 3.12Å; V199-F201 HydrophobicContact CG1-CD1 4.15Å; F201-P203 HydrophobicContact CE2-CB 4.28Å; F201-P203 HydrophobicContact CE2-CG 4.48Å; F201-L210 HydrophobicContact CZ-CD1 3.97Å; F201-L210 HydrophobicContact CZ-CD2 4.38Å; F201-A247 CarbonylContact O-C 3.47Å; F201-A247 WeakPolarHBondContact O-CA 3.26Å; F201-V248 HydrophobicContact CD1-CG1 4.34Å; F201-V248 HydrophobicContact CD2-CG1 4.07Å; F201-V248 HydrophobicContact CE1-CG1 3.95Å; F201-V248 HydrophobicContact CE1-CG2 4.46Å; F201-V248 HydrophobicContact CE2-CG1 3.67Å; F201-V248 HydrophobicContact CG-CG1 4.4Å; F201-V248 HydrophobicContact CZ-CG1 3.6Å; F201-V248 HydrophobicContact CZ-CG2 4.5Å; F201-V248 PolarHBondContact N-O 3.34Å; F201-V248 WeakPolarHBondContact O-CG1 3.44Å; F201-V248 PolarHBondContact O-N 3.25Å; F201-L271 HydrophobicContact CD1-CD1 4.41Å; F201-L271 HydrophobicContact CE1-CD1 3.76Å; F201-L271 HydrophobicContact CZ-CD1 4.15Å; F201-I280 HydrophobicContact CB-CD1 3.73Å; F201-I280 HydrophobicContact CB-CG1 4.3Å; F201-I280 HydrophobicContact CD1-CG1 4.18Å; F201-I280 HydrophobicContact CD2-CD1 4.1Å; F201-I280 HydrophobicContact CD2-CG1 4.16Å; F201-I280 HydrophobicContact CG-CD1 3.87Å; F201-I280 HydrophobicContact CG-CG1 3.96Å
202V87.1Confident90.4Very high25 Ų2532.7 Ų32.715%0.15219%0.186CC..EExtended strand (participates in β ladder)trans-118.2111.5176-175.20000108.6A171 K172 L174 G245 A247A171-V202 CarbonylContact C-O 3.58Å; A171-V202 WeakPolarHBondContact CA-O 3.37Å; A171-V202 VanDerWaalsContact CB-O 3.32Å; A171-V202 WeakPolarHBondContact CB-O 3.43Å; K172-V202 HydrophobicContact CB-CB 4.38Å; K172-V202 PolarHBondContact N-O 2.88Å; K172-V202 PolarHBondContact O-N 2.98Å; L174-V202 HydrophobicContact CD1-CG2 3.9Å; L174-V202 HydrophobicContact CD2-CG2 4Å; L174-V202 HydrophobicContact CG-CG2 4.03Å; V202-G245 VanDerWaalsContact CG1-C 3.41Å; V202-G245 VanDerWaalsContact CG1-CA 3.43Å; V202-G245 WeakPolarHBondContact CG1-O 2.89Å; V202-A247 HydrophobicContact CG2-CB 3.8Å
203P90.2Very high90.3Very high0 Ų032 Ų320%018%0.177CC..  trans-75.3148.4178.431.8-32.8000111.8A171 F201 V207 I242 P244 G245 T246A171-P203 HydrophobicContact CB-CB 4.44Å; F201-P203 HydrophobicContact CE2-CB 4.28Å; F201-P203 HydrophobicContact CE2-CG 4.48Å; P203-V207 HydrophobicContact CB-CG2 3.95Å; P203-I242 HydrophobicContact CG-CG2 3.71Å; P203-P244 WeakPolarHBondContact O-CA 3.05Å; P203-G245 PolarHBondContact O-N 3.18Å; P203-T246 VanDerWaalsContact CD-O 3.25Å; P203-T246 WeakPolarHBondContact CD-O 3.27Å
204N89.3Confident90.2Very high106 Ų10629.6 Ų29.657%0.56716%0.162SC*.SBendtrans-89.2-21.7174.9-70-7.7000112.7R170R170-N204 PolarHBondContact O-ND2 2.76Å
205D88.9Confident90Very high59 Ų5930.2 Ų30.232%0.31616%0.16SC..SBendtrans-117.8161.1179.1-66.2-44.1000110R170 V207 R277R170-D205 IonicContact CZ-OD2 2.71Å; R170-D205 IonicContact NH1-OD2 3.9Å; R170-D205 PolarHBondContact NH1-OD2 2.7Å; D205-V207 PolarHBondContact O-N 2.83Å; D205-R277 IonicContact OD2-NH2 3.89Å; D205-R277 PolarHBondContact OD2-NH2 2.78Å
206T89.9Confident89.6Confident63 Ų6329.9 Ų29.939%0.38716%0.158SC..  trans-64.6126.5168.4-590000109.3T208 T241 I242 P244 Q274T206-T208 HydrophobicContact CG2-CG2 4.27Å; T206-T241 HydrophobicContact CG2-CG2 4.04Å; T206-I242 WeakPolarHBondContact CA-O 3.27Å; T206-P244 WeakPolarHBondContact OG1-CD 3.34Å; T206-Q274 PolarHBondContact O-NE2 3.13Å
207V88.6Confident89.1Confident0 Ų029.3 Ų29.30%016%0.155CC..BIsolated β-bridgetrans-110.4119.1178.5-177.90000109.7P203 D205 S209 L210 I242 D273 Q279P203-V207 HydrophobicContact CB-CG2 3.95Å; D205-V207 PolarHBondContact O-N 2.83Å; V207-S209 WeakPolarHBondContact CG1-O 3.42Å; V207-L210 HydrophobicContact CG1-CD2 3.63Å; V207-L210 HydrophobicContact CG1-CG 3.66Å; V207-I242 HydrophobicContact CB-CB 4.2Å; V207-I242 HydrophobicContact CB-CD1 4.3Å; V207-I242 HydrophobicContact CG1-CD1 4.37Å; V207-I242 PolarHBondContact N-O 2.04Å; V207-I242 PolarHBondContact O-N 3.31Å; V207-D273 HydrophobicContact CG1-CB 4.36Å; V207-Q279 HydrophobicContact CG2-CG 4.12Å
208T87.8Confident88.1Confident68 Ų6830.8 Ų30.842%0.41716%0.163SC..SBendtrans-106.7-9.6179.8600000114.3T206 C240 Q274T206-T208 HydrophobicContact CG2-CG2 4.27Å; T208-C240 CarbonylContact C-O 3.57Å; T208-C240 WeakPolarHBondContact CA-O 3.17Å; T208-C240 VanDerWaalsContact O-CB 3.26Å; T208-C240 WeakPolarHBondContact O-CB 3.09Å; T208-Q274 WeakPolarHBondContact OG1-CB 3.36Å; T208-Q274 VanDerWaalsContact OG1-CG 3.28Å; T208-Q274 WeakPolarHBondContact OG1-CG 3.18Å
209S87.2Confident86.9Confident33 Ų3331.7 Ų31.723%0.23118%0.177CC..  trans-151.8143172.4168.70000109V207 D273 Q274V207-S209 WeakPolarHBondContact CG1-O 3.42Å; S209-D273 CarbonylContact O-C 3.55Å; S209-D273 VanDerWaalsContact O-CA 3.31Å; S209-D273 WeakPolarHBondContact O-CA 3.39Å; S209-Q274 PolarHBondContact O-N 2.92Å
210L88.2Confident85.4Confident4 Ų440.6 Ų40.62%0.02122%0.217CC..  trans-123.7120171-76170.6000109.1F201 V207 R231 A232 I242 L271 L272 Q279F201-L210 HydrophobicContact CZ-CD1 3.97Å; F201-L210 HydrophobicContact CZ-CD2 4.38Å; V207-L210 HydrophobicContact CG1-CD2 3.63Å; V207-L210 HydrophobicContact CG1-CG 3.66Å; L210-R231 CarbonylContact O-C 3.33Å; L210-R231 WeakPolarHBondContact O-CA 3.02Å; L210-A232 HydrophobicContact CB-CB 3.65Å; L210-A232 HydrophobicContact CD1-CB 4.28Å; L210-A232 PolarHBondContact O-N 3.37Å; L210-I242 HydrophobicContact CD1-CD1 3.6Å; L210-I242 HydrophobicContact CG-CD1 4.35Å; L210-L271 HydrophobicContact CD2-CB 4.16Å; L210-L272 CarbonylContact C-O 3.53Å; L210-L272 WeakPolarHBondContact CA-O 3.48Å; L210-Q279 HydrophobicContact CD2-CG 4.47Å
211T89.6Confident84.1Confident41 Ų4144.5 Ų44.525%0.25224%0.238SC..EExtended strand (participates in β ladder)trans-108.4118.9173.8-57.70000109.8V213 P230 L272T211-V213 HydrophobicContact CG2-CG2 4.44Å; T211-P230 CarbonylContact C-O 3.54Å; T211-P230 WeakPolarHBondContact CA-O 3.46Å; T211-L272 PolarHBondContact N-O 3.22Å; T211-L272 PolarHBondContact O-N 2.86Å
212A91.8Very high83.3Confident0 Ų047.7 Ų47.70%025%0.25CS..EExtended strand (participates in β ladder)trans-87.3134.1176.600000111.8V227 P230 Y250 F269 K270 L271A212-V227 HydrophobicContact CB-CG1 3.91Å; A212-P230 PolarHBondContact N-O 2.89Å; A212-Y250 HydrophobicContact CB-CE1 4.27Å; A212-Y250 HydrophobicContact CB-CE2 4.43Å; A212-Y250 WeakPolarHBondContact CB-OH 3.2Å; A212-F269 HydrophobicContact CB-CE2 4.05Å; A212-F269 HydrophobicContact CB-CZ 4.03Å; A212-K270 WeakPolarHBondContact CA-O 3.49Å; A212-L271 HydrophobicContact CB-CD2 3.79Å
213V90.8Very high83Confident11 Ų1153 Ų537%0.06727%0.271CS..EExtended strand (participates in β ladder)trans-134126.1175.8-169.70000108.4T211 Y215 K270 L272T211-V213 HydrophobicContact CG2-CG2 4.44Å; V213-Y215 HydrophobicContact CB-CE2 4.46Å; V213-Y215 HydrophobicContact CG1-CD2 4.24Å; V213-Y215 HydrophobicContact CG1-CE2 3.46Å; V213-Y215 VanDerWaalsContact CG1-CE2 3.46Å; V213-K270 PolarHBondContact N-O 2.87Å; V213-K270 PolarHBondContact O-N 3.42Å; V213-L272 HydrophobicContact CG2-CD1 3.94Å; V213-L272 HydrophobicContact CG2-CG 4.39Å
214A91.9Very high82.8Confident1 Ų160.7 Ų60.71%0.00830%0.3CS..EExtended strand (participates in β ladder)trans-120.1140.4176.500000110.3R224 M225 V227 F254 R268 F269A214-R224 WeakPolarHBondContact O-CA 3.39Å; A214-M225 HydrophobicContact CB-CB 4.17Å; A214-M225 PolarHBondContact O-N 2.96Å; A214-V227 HydrophobicContact CB-CG2 3.73Å; A214-F254 HydrophobicContact CB-CE1 3.56Å; A214-F254 HydrophobicContact CB-CZ 3.96Å; A214-R268 CarbonylContact C-O 3.58Å; A214-R268 WeakPolarHBondContact CA-O 3.31Å; A214-F269 HydrophobicContact CB-CD2 4.17Å
215Y88.8Confident82.7Confident79 Ų7957 Ų5731%0.3128%0.28SS..EExtended strand (participates in β ladder)trans-124.6132.1169.9-57.5-93.2000108.7V213 K223 R224 V267 R268V213-Y215 HydrophobicContact CB-CE2 4.46Å; V213-Y215 HydrophobicContact CG1-CD2 4.24Å; V213-Y215 HydrophobicContact CG1-CE2 3.46Å; V213-Y215 VanDerWaalsContact CG1-CE2 3.46Å; Y215-K223 CarbonylContact C-O 3.49Å; Y215-K223 VanDerWaalsContact CA-O 3.25Å; Y215-K223 WeakPolarHBondContact CA-O 3.37Å; Y215-R224 HydrophobicContact CD1-CB 4.16Å; Y215-R224 HydrophobicContact CE1-CB 4.09Å; Y215-R224 HydrophobicContact CE1-CG 4.28Å; Y215-V267 CarbonylContact O-C 3.49Å; Y215-V267 WeakPolarHBondContact O-CA 3.21Å; Y215-R268 PolarHBondContact N-O 3.16Å; Y215-R268 PolarHBondContact O-N 2.76Å
216G85.8Confident82.4Confident2 Ų257.7 Ų57.72%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-114.4133.7172.700000110.2K223 M225 Y266G216-K223 PolarHBondContact N-O 3.1Å; G216-K223 PolarHBondContact O-N 2.85Å; G216-M225 VanDerWaalsContact CA-CE 3.46Å; G216-M225 WeakPolarHBondContact O-CE 3.35Å; G216-Y266 CarbonylContact C-O 3.56Å; G216-Y266 WeakPolarHBondContact CA-O 3.37Å
217K81.1Confident82.1Confident34 Ų3455.7 Ų55.715%0.14828%0.275CS..EExtended strand (participates in β ladder)trans-98.6104.6171.2-179177.4176.1-172.80108.4N10 G219 F220 Y222 V265 Y266N10-K217 PolarHBondContact OD1-NZ 2.85Å; K217-G219 WeakPolarHBondContact CE-O 3.22Å; K217-G219 WeakPolarHBondContact CG-O 3.44Å; K217-F220 WeakPolarHBondContact CE-O 3.19Å; K217-Y222 HydrophobicContact CB-CD1 3.85Å; K217-Y222 HydrophobicContact CB-CD2 4.31Å; K217-Y222 HydrophobicContact CB-CE1 3.64Å; K217-Y222 HydrophobicContact CB-CE2 4.11Å; K217-Y222 HydrophobicContact CB-CG 4.16Å; K217-Y222 HydrophobicContact CD-CD2 4.3Å; K217-Y222 HydrophobicContact CD-CE2 3.71Å; K217-Y222 HydrophobicContact CG-CE2 4.38Å; K217-V265 WeakPolarHBondContact O-CA 3.4Å; K217-Y266 HydrophobicContact CB-CD2 4.49Å; K217-Y266 HydrophobicContact CD-CD2 4.24Å; K217-Y266 PolarHBondContact N-O 2.82Å; K217-Y266 PolarHBondContact O-N 2.84Å
218L70.9Confident81.5Confident36 Ų3657.6 Ų57.619%0.18829%0.291CS..SBendtrans-102.323179.4-63.1171.6000111.9M225 Y260 P261 V265 I288L218-M225 HydrophobicContact CD1-CE 3.68Å; L218-M225 HydrophobicContact CG-CE 4.02Å; L218-Y260 HydrophobicContact CD1-CD1 3.59Å; L218-Y260 HydrophobicContact CD1-CD2 4.24Å; L218-Y260 HydrophobicContact CD1-CE1 3.9Å; L218-Y260 HydrophobicContact CD1-CG 3.79Å; L218-P261 HydrophobicContact CB-CG 4.23Å; L218-V265 HydrophobicContact CD2-CB 3.92Å; L218-V265 HydrophobicContact CD2-CG2 3.61Å; L218-V265 HydrophobicContact CG-CG2 4.38Å; L218-I288 HydrophobicContact CD2-CD1 3.36Å
219G67.3Low80.7Confident39 Ų3959.3 Ų59.340%0.40230%0.297SS..SBendtrans164.1-134.6-167.500000110.3K217K217-G219 WeakPolarHBondContact CE-O 3.22Å; K217-G219 WeakPolarHBondContact CG-O 3.44Å
220F60.9Low80Confident188 Ų18860.6 Ų60.683%0.82531%0.305SS*.SBendtrans-80.4-29.9-178.7-61.9-73.8000114.3K217K217-F220 WeakPolarHBondContact CE-O 3.19Å
221E60.9Low79.3Confident146 Ų14667 Ų6768%0.68233%0.329SS*.SBendtrans-114.4150.8-172.7-64.4-174.3161.200113.7
222Y72Confident78.1Confident66 Ų6666.3 Ų66.326%0.25933%0.327SS..EExtended strand (participates in β ladder)trans-80.9120.7169.5-79.9-86000110.2Y32 K217 R268Y32-Y222 HydrophobicContact CE1-CE2 4.12Å; Y32-Y222 PolarHBondContact OH-OH 2.91Å; K217-Y222 HydrophobicContact CB-CD1 3.85Å; K217-Y222 HydrophobicContact CB-CD2 4.31Å; K217-Y222 HydrophobicContact CB-CE1 3.64Å; K217-Y222 HydrophobicContact CB-CE2 4.11Å; K217-Y222 HydrophobicContact CB-CG 4.16Å; K217-Y222 HydrophobicContact CD-CD2 4.3Å; K217-Y222 HydrophobicContact CD-CE2 3.71Å; K217-Y222 HydrophobicContact CG-CE2 4.38Å; Y222-R268 HydrophobicContact CE1-CB 4.29Å
223K81.4Confident77Confident138 Ų13867.7 Ų67.760%0.634%0.337SS*.EExtended strand (participates in β ladder)trans-105.2139.1171.7-67.2-172.7177.9-178.10110.2Y215 G216 M225Y215-K223 CarbonylContact C-O 3.49Å; Y215-K223 VanDerWaalsContact CA-O 3.25Å; Y215-K223 WeakPolarHBondContact CA-O 3.37Å; G216-K223 PolarHBondContact N-O 3.1Å; G216-K223 PolarHBondContact O-N 2.85Å; K223-M225 HydrophobicContact CB-CE 4.39Å; K223-M225 PolarHBondContact O-N 2.8Å
224R86.2Confident75.4Confident161 Ų16173.9 Ų73.961%0.60836%0.363SS*.EExtended strand (participates in β ladder)trans-66.2126.2175.2-167.8172.3-172.1-100.9-0.3109.2A214 Y215A214-R224 WeakPolarHBondContact O-CA 3.39Å; Y215-R224 HydrophobicContact CD1-CB 4.16Å; Y215-R224 HydrophobicContact CE1-CB 4.09Å; Y215-R224 HydrophobicContact CE1-CG 4.28Å
225M85.9Confident73.3Confident29 Ų2978.4 Ų78.414%0.14339%0.391CS..EExtended strand (participates in β ladder)trans-96.9141.6-179.3-61.7-59.4175.300110.3A214 G216 L218 K223 V227A214-M225 HydrophobicContact CB-CB 4.17Å; A214-M225 PolarHBondContact O-N 2.96Å; G216-M225 VanDerWaalsContact CA-CE 3.46Å; G216-M225 WeakPolarHBondContact O-CE 3.35Å; L218-M225 HydrophobicContact CD1-CE 3.68Å; L218-M225 HydrophobicContact CG-CE 4.02Å; K223-M225 HydrophobicContact CB-CE 4.39Å; K223-M225 PolarHBondContact O-N 2.8Å; M225-V227 PolarHBondContact O-N 3.23Å
226P84.2Confident71.2Confident72 Ų7279.4 Ų79.447%0.46841%0.409SS..PPolyproline II helixtrans-64.9129.8173.127-32000109.6
227V82.3Confident69.5Low21 Ų2183.5 Ų83.513%0.12745%0.451CS..  trans-111.7126.1177.1-171.20000107.5A212 A214 M225 N229 T252 F254A212-V227 HydrophobicContact CB-CG1 3.91Å; A214-V227 HydrophobicContact CB-CG2 3.73Å; M225-V227 PolarHBondContact O-N 3.23Å; V227-N229 PolarHBondContact O-N 3Å; V227-T252 HydrophobicContact CG1-CG2 4.14Å; V227-T252 WeakPolarHBondContact CG1-OG1 3.28Å; V227-F254 HydrophobicContact CB-CE1 4.38Å; V227-F254 HydrophobicContact CG1-CE1 4.24Å; V227-F254 HydrophobicContact CG1-CZ 4.26Å; V227-F254 HydrophobicContact CG2-CE1 3.88Å; V227-F254 HydrophobicContact CG2-CZ 4.41Å
228A77.4Confident68Low41 Ų4192.1 Ų92.134%0.33948%0.483SS..SBendtrans-66.2134.417200000109.8T252 K253A228-T252 PolarHBondContact O-OG1 3.31Å; A228-K253 HydrophobicContact CB-CB 4.11Å; A228-K253 VanDerWaalsContact CB-O 3.3Å; A228-K253 WeakPolarHBondContact CB-O 3.38Å; A228-K253 PolarHBondContact N-O 2.93Å
229N69.7Low67.4Low103 Ų10394.9 Ų94.955%0.55151%0.51SS*.SBendtrans53.462.6-177.9-58.9-35.8000113.1V227 R231V227-N229 PolarHBondContact O-N 3Å; N229-R231 CarbonylContact O-C 3.56Å; N229-R231 PolarHBondContact O-N 2.85Å
230P73.1Confident67.4Low61 Ų6194.1 Ų94.140%0.39650%0.499SS..SBendtrans-61.6-17.5-174.927.2-35.5000112.7T211 A212T211-P230 CarbonylContact C-O 3.54Å; T211-P230 WeakPolarHBondContact CA-O 3.46Å; A212-P230 PolarHBondContact N-O 2.89Å
231R73.7Confident68.4Low138 Ų13889.6 Ų89.652%0.52149%0.487SS..BIsolated β-bridgetrans-104.992.4171.4-67-177.2176.4166.8-5.9109.2L210 N229 C233 K234L210-R231 CarbonylContact O-C 3.33Å; L210-R231 WeakPolarHBondContact O-CA 3.02Å; N229-R231 CarbonylContact O-C 3.56Å; N229-R231 PolarHBondContact O-N 2.85Å; R231-C233 PolarHBondContact O-N 2.82Å; R231-K234 HydrophobicContact CB-CB 4.24Å; R231-K234 HydrophobicContact CB-CD 4.38Å; R231-K234 HydrophobicContact CB-CG 4.25Å; R231-K234 PolarHBondContact O-N 3.22Å
232A64.5Low69.5Low26 Ų2683.7 Ų83.722%0.21546%0.46CS..THydrogen-bonded Turntrans-49.8-35.9-170.300000114.5L210 Y250L210-A232 HydrophobicContact CB-CB 3.65Å; L210-A232 HydrophobicContact CD1-CB 4.28Å; L210-A232 PolarHBondContact O-N 3.37Å; A232-Y250 HydrophobicContact CB-CD2 3.45Å; A232-Y250 VanDerWaalsContact CB-CD2 3.45Å; A232-Y250 HydrophobicContact CB-CE2 3.27Å
233C67.4Low70.1Confident29 Ų2986.6 Ų86.620%0.19648%0.476CS..THydrogen-bonded Turntrans-100.6-0.9-167.5-50.20000114.9R231 T235 C240R231-C233 PolarHBondContact O-N 2.82Å; C233-T235 VanDerWaalsContact C-N 3.35Å; C233-C240 HydrophobicContact CB-CB 3.12Å; C233-C240 WeakPolarHBondContact CB-SG 3.34Å; C233-C240 WeakPolarHBondContact SG-CB 3.35Å; C233-C240 CovalentContact SG-SG 2.03Å; C233-C240 PolarHBondContact SG-SG 2.92Å
234K57.5Low70.5Confident141 Ų14183 Ų8361%0.61347%0.466SS*.  trans-89.34.6-172.3-81.5-160.8178.5-172.70114.6R231 S236R231-K234 HydrophobicContact CB-CB 4.24Å; R231-K234 HydrophobicContact CB-CD 4.38Å; R231-K234 HydrophobicContact CB-CG 4.25Å; R231-K234 PolarHBondContact O-N 3.22Å; K234-S236 VanDerWaalsContact C-N 3.29Å; K234-S236 PolarHBondContact O-N 3.23Å
235T47.7Very low70.5Confident97 Ų9778.1 Ų78.160%0.59547%0.466SS*.THydrogen-bonded Turntrans-76.2-7.4-167.250000115.3C233C233-T235 VanDerWaalsContact C-N 3.35Å
236S46.1Very low70.5Confident100 Ų10080.1 Ų80.170%0.69948%0.48SS*.THydrogen-bonded Turntrans-146.226.8-170.9-27.50000115.9K234 R238K234-S236 VanDerWaalsContact C-N 3.29Å; K234-S236 PolarHBondContact O-N 3.23Å; S236-R238 PolarHBondContact O-N 2.69Å
237G49.3Very low70.6Confident87 Ų8778.2 Ų78.290%0.89747%0.47SS*.SBendtrans64.4-0.3175.900000116.5
238R50.1Low70.9Confident216 Ų21678.7 Ų78.782%0.81547%0.473SS*.SBendtrans-94.2139.9173.1-76.8-178.7165.4-175.6-4.3110.5S236S236-R238 PolarHBondContact O-N 2.69Å
239A57.9Low71.5Confident93 Ų9379.7 Ų79.777%0.76948%0.475SS*.PPolyproline II helixtrans-62.2134.1172.100000110.2T241A239-T241 PolarHBondContact O-N 2.79Å
240C67.8Low72.4Confident24 Ų2475.2 Ų75.216%0.16245%0.451CS..PPolyproline II helixtrans-71123167.7-144.10000107.2T208 C233T208-C240 CarbonylContact C-O 3.57Å; T208-C240 WeakPolarHBondContact CA-O 3.17Å; T208-C240 VanDerWaalsContact O-CB 3.26Å; T208-C240 WeakPolarHBondContact O-CB 3.09Å; C233-C240 HydrophobicContact CB-CB 3.12Å; C233-C240 WeakPolarHBondContact CB-SG 3.34Å; C233-C240 WeakPolarHBondContact SG-CB 3.35Å; C233-C240 CovalentContact SG-SG 2.03Å; C233-C240 PolarHBondContact SG-SG 2.92Å
241T80.4Confident73.2Confident93 Ų9379.4 Ų79.457%0.57146%0.458SS*.  trans-136.993163.8-55.50000106.9T206 A239T206-T241 HydrophobicContact CG2-CG2 4.04Å; A239-T241 PolarHBondContact O-N 2.79Å
242I84.3Confident74Confident22 Ų2273.1 Ų73.111%0.11344%0.435CS..BIsolated β-bridgetrans-91.7117.1174.7-50.6166.6000106.8P203 T206 V207 L210 V248P203-I242 HydrophobicContact CG-CG2 3.71Å; T206-I242 WeakPolarHBondContact CA-O 3.27Å; V207-I242 HydrophobicContact CB-CB 4.2Å; V207-I242 HydrophobicContact CB-CD1 4.3Å; V207-I242 HydrophobicContact CG1-CD1 4.37Å; V207-I242 PolarHBondContact N-O 2.04Å; V207-I242 PolarHBondContact O-N 3.31Å; L210-I242 HydrophobicContact CD1-CD1 3.6Å; L210-I242 HydrophobicContact CG-CD1 4.35Å; I242-V248 HydrophobicContact CD1-CG1 4.28Å; I242-V248 HydrophobicContact CD1-CG2 4.09Å; I242-V248 HydrophobicContact CG2-CB 4.13Å; I242-V248 HydrophobicContact CG2-CG1 3.67Å
243Q85.8Confident75.2Confident127 Ų12776.1 Ų76.159%0.59344%0.444SS*.PPolyproline II helixtrans-75.7147.5-179.9-68.1-177.9-11.400111.2T246Q243-T246 WeakPolarHBondContact O-CB 3.29Å; Q243-T246 PolarHBondContact O-N 2.64Å
244P89Confident76.3Confident62 Ų6276.4 Ų76.440%0.40344%0.442SS..THydrogen-bonded Turntrans-51.3144.8169.4-23.231.2000111.8P203 T206 T246P203-P244 WeakPolarHBondContact O-CA 3.05Å; T206-P244 WeakPolarHBondContact OG1-CD 3.34Å; P244-T246 PolarHBondContact O-N 3.37Å; P244-T246 VanDerWaalsContact O-N 3.08Å
245G86.5Confident77.9Confident58 Ų5874.3 Ų74.360%0.59843%0.434SS*.THydrogen-bonded Turntrans75-9.9177.200000114.9V202 P203V202-G245 VanDerWaalsContact CG1-C 3.41Å; V202-G245 VanDerWaalsContact CG1-CA 3.43Å; V202-G245 WeakPolarHBondContact CG1-O 2.89Å; P203-G245 PolarHBondContact O-N 3.18Å
246T85.7Confident80Confident72 Ų7270.1 Ų70.144%0.44241%0.408SS..  trans-91.3117.5179.1-56.80000110.5P203 Q243 P244 V248P203-T246 VanDerWaalsContact CD-O 3.25Å; P203-T246 WeakPolarHBondContact CD-O 3.27Å; Q243-T246 WeakPolarHBondContact O-CB 3.29Å; Q243-T246 PolarHBondContact O-N 2.64Å; P244-T246 PolarHBondContact O-N 3.37Å; P244-T246 VanDerWaalsContact O-N 3.08Å; T246-V248 PolarHBondContact O-N 2.62Å
247A86.1Confident82.1Confident32 Ų3271.1 Ų71.126%0.26440%0.397SS..  trans-66.7129.4178.500000111.3L174 R200 F201 V202L174-A247 HydrophobicContact CD1-CB 3.91Å; R200-A247 VanDerWaalsContact CZ-C 3.46Å; R200-A247 PolarHBondContact NH1-O 2.65Å; R200-A247 PolarHBondContact NH2-O 3.19Å; R200-A247 VanDerWaalsContact NH2-O 3.15Å; F201-A247 CarbonylContact O-C 3.47Å; F201-A247 WeakPolarHBondContact O-CA 3.26Å; V202-A247 HydrophobicContact CG2-CB 3.8Å
248V89.3Confident84.1Confident30 Ų3074 Ų7418%0.18239%0.385CS..EExtended strand (participates in β ladder)trans-125.6149.917940.60000110.6R200 F201 I242 T246R200-V248 WeakPolarHBondContact CA-O 3.43Å; R200-V248 PolarHBondContact NH1-O 3.18Å; F201-V248 HydrophobicContact CD1-CG1 4.34Å; F201-V248 HydrophobicContact CD2-CG1 4.07Å; F201-V248 HydrophobicContact CE1-CG1 3.95Å; F201-V248 HydrophobicContact CE1-CG2 4.46Å; F201-V248 HydrophobicContact CE2-CG1 3.67Å; F201-V248 HydrophobicContact CG-CG1 4.4Å; F201-V248 HydrophobicContact CZ-CG1 3.6Å; F201-V248 HydrophobicContact CZ-CG2 4.5Å; F201-V248 PolarHBondContact N-O 3.34Å; F201-V248 WeakPolarHBondContact O-CG1 3.44Å; F201-V248 PolarHBondContact O-N 3.25Å; I242-V248 HydrophobicContact CD1-CG1 4.28Å; I242-V248 HydrophobicContact CD1-CG2 4.09Å; I242-V248 HydrophobicContact CG2-CB 4.13Å; I242-V248 HydrophobicContact CG2-CG1 3.67Å; T246-V248 PolarHBondContact O-N 2.62Å
249T89Confident85.9Confident63 Ų6370.7 Ų70.739%0.38738%0.378SS..EExtended strand (participates in β ladder)trans-111.9118.8173.6-51.30000109.8W175 F198 V199 R200W175-T249 HydrophobicContact CH2-CG2 3.78Å; W175-T249 HydrophobicContact CZ3-CG2 4.34Å; F198-T249 HydrophobicContact CB-CG2 4.4Å; V199-T249 CarbonylContact O-C 3.58Å; V199-T249 WeakPolarHBondContact O-CA 2.98Å; R200-T249 WeakPolarHBondContact CD-OG1 3.2Å; R200-T249 PolarHBondContact NH1-OG1 3.44Å
250Y89.2Confident87.3Confident9 Ų968.2 Ų68.24%0.03535%0.349CS..EExtended strand (participates in β ladder)trans-86.4139.3167.5176.4-100000110F198 V199 A212 A232 T252 F269 L271F198-Y250 CarbonylContact C-O 3.58Å; F198-Y250 VanDerWaalsContact CA-O 3.28Å; F198-Y250 WeakPolarHBondContact CA-O 3.34Å; V199-Y250 PolarHBondContact N-O 3.29Å; V199-Y250 PolarHBondContact O-N 2.87Å; A212-Y250 HydrophobicContact CB-CE1 4.27Å; A212-Y250 HydrophobicContact CB-CE2 4.43Å; A212-Y250 WeakPolarHBondContact CB-OH 3.2Å; A232-Y250 HydrophobicContact CB-CD2 3.45Å; A232-Y250 VanDerWaalsContact CB-CD2 3.45Å; A232-Y250 HydrophobicContact CB-CE2 3.27Å; Y250-T252 HydrophobicContact CE1-CG2 3.55Å; Y250-T252 VanDerWaalsContact OH-CB 3.31Å; Y250-T252 WeakPolarHBondContact OH-CB 3.15Å; Y250-F269 HydrophobicContact CD1-CE1 4.29Å; Y250-F269 AromaticContact CD1-CZ 3.85Å; Y250-F269 HydrophobicContact CD1-CZ 3.85Å; Y250-F269 HydrophobicContact CE1-CE1 4.27Å; Y250-F269 HydrophobicContact CE1-CE2 4.15Å; Y250-F269 AromaticContact CE1-CZ 3.39Å; Y250-F269 HydrophobicContact CE1-CZ 3.39Å; Y250-L271 HydrophobicContact CD1-CD1 4.2Å; Y250-L271 HydrophobicContact CD1-CD2 3.96Å; Y250-L271 HydrophobicContact CD2-CD1 4.45Å; Y250-L271 HydrophobicContact CD2-CD2 4.05Å; Y250-L271 HydrophobicContact CE1-CD2 3.94Å; Y250-L271 HydrophobicContact CE2-CD2 4.04Å; Y250-L271 HydrophobicContact CG-CD1 3.91Å; Y250-L271 HydrophobicContact CG-CD2 4.01Å
251R89.7Confident88.1Confident148 Ų14870.1 Ų70.156%0.55836%0.361SS*.EExtended strand (participates in β ladder)trans-127.9136.9174.7179.6-175.1-179.2173.12.3109.5E196 L197 F198E196-R251 VanDerWaalsContact CD-NH2 3.26Å; E196-R251 IonicContact OE1-CZ 2.62Å; E196-R251 IonicContact OE1-NE 3.75Å; E196-R251 PolarHBondContact OE1-NE 3.3Å; E196-R251 IonicContact OE1-NH2 3.99Å; E196-R251 PolarHBondContact OE1-NH2 2.96Å; E196-R251 IonicContact OE2-CZ 3.53Å; E196-R251 IonicContact OE2-NH2 3.82Å; E196-R251 PolarHBondContact OE2-NH2 2.84Å; E196-R251 VanDerWaalsContact OE2-NH2 3.07Å; L197-R251 CarbonylContact O-C 3.43Å; L197-R251 WeakPolarHBondContact O-CA 3.32Å; F198-R251 HydrophobicContact CD1-CB 4.09Å; F198-R251 HydrophobicContact CD1-CG 3.91Å; F198-R251 HydrophobicContact CE1-CB 4.27Å; F198-R251 HydrophobicContact CE1-CG 3.65Å; F198-R251 HydrophobicContact CZ-CG 4.17Å
252T90Very high88.4Confident6 Ų671.9 Ų71.94%0.03736%0.361CS..EExtended strand (participates in β ladder)trans-147.2167.8169.1-167.80000111.7E196 L197 V227 A228 Y250 F254 F269E196-T252 CarbonylContact C-O 3.56Å; E196-T252 WeakPolarHBondContact CA-O 3.16Å; L197-T252 HydrophobicContact CB-CG2 3.98Å; L197-T252 HydrophobicContact CD2-CG2 4.28Å; L197-T252 PolarHBondContact N-O 2.77Å; L197-T252 PolarHBondContact O-N 3.4Å; V227-T252 HydrophobicContact CG1-CG2 4.14Å; V227-T252 WeakPolarHBondContact CG1-OG1 3.28Å; A228-T252 PolarHBondContact O-OG1 3.31Å; Y250-T252 HydrophobicContact CE1-CG2 3.55Å; Y250-T252 VanDerWaalsContact OH-CB 3.31Å; Y250-T252 WeakPolarHBondContact OH-CB 3.15Å; T252-F254 HydrophobicContact CG2-CD2 4.1Å; T252-F254 HydrophobicContact CG2-CE2 3.35Å; T252-F254 HydrophobicContact CG2-CZ 3.75Å; T252-F269 HydrophobicContact CG2-CE2 4.31Å
253K90.1Very high88Confident89 Ų8975.2 Ų75.239%0.38738%0.379SS..EExtended strand (participates in β ladder)trans-124.7134.6-177.5-170.2176.2177.7-1710109.2D194 V195 A228D194-K253 HydrophobicContact CB-CD 4.33Å; D194-K253 HydrophobicContact CB-CG 4.23Å; D194-K253 WeakPolarHBondContact OD2-CE 3.2Å; D194-K253 IonicContact OD2-NZ 3.89Å; D194-K253 PolarHBondContact OD2-NZ 3.29Å; V195-K253 CarbonylContact O-C 3.45Å; V195-K253 WeakPolarHBondContact O-CA 3.34Å; A228-K253 HydrophobicContact CB-CB 4.11Å; A228-K253 VanDerWaalsContact CB-O 3.3Å; A228-K253 WeakPolarHBondContact CB-O 3.38Å; A228-K253 PolarHBondContact N-O 2.93Å
254F90.3Very high87.8Confident36 Ų3670.5 Ų70.516%0.15836%0.359CS..EExtended strand (participates in β ladder)trans-119.9130.8177.4-65.8-82.5000109.4D194 V195 L197 A214 V227 T252 F269D194-F254 WeakPolarHBondContact CA-O 3.25Å; V195-F254 PolarHBondContact N-O 3.37Å; V195-F254 PolarHBondContact O-N 2.75Å; L197-F254 HydrophobicContact CB-CD2 4.21Å; L197-F254 HydrophobicContact CB-CE2 3.77Å; L197-F254 HydrophobicContact CD2-CE2 3.79Å; L197-F254 HydrophobicContact CD2-CZ 4.34Å; L197-F254 HydrophobicContact CG-CE2 4.43Å; A214-F254 HydrophobicContact CB-CE1 3.56Å; A214-F254 HydrophobicContact CB-CZ 3.96Å; V227-F254 HydrophobicContact CB-CE1 4.38Å; V227-F254 HydrophobicContact CG1-CE1 4.24Å; V227-F254 HydrophobicContact CG1-CZ 4.26Å; V227-F254 HydrophobicContact CG2-CE1 3.88Å; V227-F254 HydrophobicContact CG2-CZ 4.41Å; T252-F254 HydrophobicContact CG2-CD2 4.1Å; T252-F254 HydrophobicContact CG2-CE2 3.35Å; T252-F254 HydrophobicContact CG2-CZ 3.75Å; F254-F269 AromaticContact CZ-CD2 3.91Å; F254-F269 HydrophobicContact CZ-CD2 3.91Å; F254-F269 AromaticContact CZ-CE2 3.99Å; F254-F269 HydrophobicContact CZ-CE2 3.99Å
255H92.1Very high87.5Confident96 Ų9667.9 Ų67.944%0.44434%0.342SS..EExtended strand (participates in β ladder)trans-94.7120.9173.2-171.968.8000110D194 R257D194-H255 IonicContact OD1-CE1 2.73Å; D194-H255 IonicContact OD1-CG 3.76Å; D194-H255 IonicContact OD1-ND1 2.61Å; D194-H255 PolarHBondContact OD1-ND1 3.46Å; H255-R257 PolarHBondContact O-N 3.31Å
256V90.6Very high87.5Confident10 Ų1067 Ų676%0.06132%0.321CS..  trans-83.1106.5177.5-174.20000108L189 V190 G192 T193 V195 Y260 I288L189-V256 HydrophobicContact CB-CG1 4.38Å; L189-V256 HydrophobicContact CB-CG2 4.05Å; V190-V256 WeakPolarHBondContact O-CB 3.46Å; G192-V256 VanDerWaalsContact CA-O 3.27Å; G192-V256 WeakPolarHBondContact CA-O 3.33Å; G192-V256 PolarHBondContact N-O 2.94Å; T193-V256 PolarHBondContact O-N 3.1Å; V195-V256 HydrophobicContact CG2-CG2 3.85Å; V256-Y260 HydrophobicContact CG1-CD2 4.25Å; V256-I288 HydrophobicContact CG1-CG2 4.41Å
257R90.4Very high87.7Confident121 Ų12165 Ų6546%0.45731%0.309SS..  trans-69.7144.7-174.6-68.1-170.6178.9-167.1-1.1112.5H255 E259 Y260H255-R257 PolarHBondContact O-N 3.31Å; R257-E259 WeakPolarHBondContact CB-OE2 3.47Å; R257-E259 PolarHBondContact O-N 2.82Å; R257-Y260 HydrophobicContact CB-CD1 4.06Å; R257-Y260 HydrophobicContact CB-CD2 3.96Å; R257-Y260 HydrophobicContact CB-CE1 3.86Å; R257-Y260 HydrophobicContact CB-CE2 3.76Å; R257-Y260 HydrophobicContact CB-CG 4.12Å; R257-Y260 HydrophobicContact CG-CE1 4.22Å; R257-Y260 HydrophobicContact CG-CE2 4.09Å; R257-Y260 PolarHBondContact O-N 3.2Å
258K91.4Very high87.8Confident148 Ų14866.9 Ų66.964%0.64331%0.309SS*.THydrogen-bonded Turntrans-64.9-21.8178.1-68.5-174.5179-178.20113K191K191-K258 WeakPolarHBondContact CE-O 3.49Å; K191-K258 PolarHBondContact NZ-O 2.96Å
259E89.2Confident88Confident146 Ų14665.4 Ų65.468%0.68230%0.3SS*.THydrogen-bonded Turntrans-82.7-11.2-179.1-51.975.5-137.400113.3R257R257-E259 WeakPolarHBondContact CB-OE2 3.47Å; R257-E259 PolarHBondContact O-N 2.82Å
260Y87.3Confident88.1Confident41 Ų4165.1 Ų65.116%0.16129%0.293CS..SBendtrans-65.4143.7-179-65.1-22.3000111.9K191 L218 V256 R257 I288K191-Y260 WeakPolarHBondContact CE-O 3.36Å; K191-Y260 PolarHBondContact NZ-O 2.96Å; L218-Y260 HydrophobicContact CD1-CD1 3.59Å; L218-Y260 HydrophobicContact CD1-CD2 4.24Å; L218-Y260 HydrophobicContact CD1-CE1 3.9Å; L218-Y260 HydrophobicContact CD1-CG 3.79Å; V256-Y260 HydrophobicContact CG1-CD2 4.25Å; R257-Y260 HydrophobicContact CB-CD1 4.06Å; R257-Y260 HydrophobicContact CB-CD2 3.96Å; R257-Y260 HydrophobicContact CB-CE1 3.86Å; R257-Y260 HydrophobicContact CB-CE2 3.76Å; R257-Y260 HydrophobicContact CB-CG 4.12Å; R257-Y260 HydrophobicContact CG-CE1 4.22Å; R257-Y260 HydrophobicContact CG-CE2 4.09Å; R257-Y260 PolarHBondContact O-N 3.2Å; Y260-I288 HydrophobicContact CD2-CD1 3.98Å; Y260-I288 HydrophobicContact CG-CD1 4.25Å
261P84.2Confident88.3Confident64 Ų6464.7 Ų64.742%0.41629%0.292SS..  trans-68.7149.4176.128.8-34000110.7L218 N263L218-P261 HydrophobicContact CB-CG 4.23Å; P261-N263 PolarHBondContact O-N 3.09Å
262K85.7Confident88.3Confident129 Ų12959.1 Ų59.156%0.56127%0.273SS*.SBendtrans-73105.5169.1-65.1176.6-177178.90108.6I288 D290K262-I288 VanDerWaalsContact CA-O 3.3Å; K262-I288 WeakPolarHBondContact CA-O 3.42Å; K262-D290 WeakPolarHBondContact CE-OD1 3.48Å; K262-D290 WeakPolarHBondContact CE-OD2 3.44Å; K262-D290 VanDerWaalsContact NZ-CG 3.32Å; K262-D290 IonicContact NZ-OD1 3.07Å; K262-D290 IonicContact NZ-OD2 2.79Å; K262-D290 PolarHBondContact NZ-OD2 3.12Å
263N77.3Confident88.3Confident93 Ų9358.9 Ų58.950%0.49727%0.271SS..SBendtrans-163.6169.8178.9-151.6-18.8000110P261 H287 I288P261-N263 PolarHBondContact O-N 3.09Å; N263-H287 CarbonylContact O-C 3.58Å; N263-H287 WeakPolarHBondContact O-CA 3.16Å; N263-I288 PolarHBondContact O-N 2.77Å
264V80.3Confident88.3Confident28 Ų2857.9 Ų57.917%0.1727%0.268CS..EExtended strand (participates in β ladder)trans-58.4137.8161.3-177.40000108.8Y266 T285 G286V264-Y266 HydrophobicContact CG1-CE1 4.49Å; V264-Y266 HydrophobicContact CG1-CE2 4.1Å; V264-T285 HydrophobicContact CG1-CG2 3.72Å; V264-G286 CarbonylContact C-O 3.55Å; V264-G286 WeakPolarHBondContact CA-O 3.42Å
265V83.9Confident88.2Confident6 Ų662.9 Ų62.94%0.03629%0.29CS..EExtended strand (participates in β ladder)trans-124.2132.4175.759.20000109.8L189 K217 L218 V267 G286 I288L189-V265 HydrophobicContact CD1-CG1 3.67Å; K217-V265 WeakPolarHBondContact O-CA 3.4Å; L218-V265 HydrophobicContact CD2-CB 3.92Å; L218-V265 HydrophobicContact CD2-CG2 3.61Å; L218-V265 HydrophobicContact CG-CG2 4.38Å; V265-V267 HydrophobicContact CG2-CG2 4.16Å; V265-G286 PolarHBondContact N-O 3.47Å; V265-G286 PolarHBondContact O-N 2.78Å; V265-I288 HydrophobicContact CG1-CG1 4.16Å
266Y85.1Confident88.1Confident39 Ų3966 Ų6615%0.15331%0.305CS..EExtended strand (participates in β ladder)trans-101.3123.4171.3-56-87.9000108.9G216 K217 V264 T285G216-Y266 CarbonylContact C-O 3.56Å; G216-Y266 WeakPolarHBondContact CA-O 3.37Å; K217-Y266 HydrophobicContact CB-CD2 4.49Å; K217-Y266 HydrophobicContact CD-CD2 4.24Å; K217-Y266 PolarHBondContact N-O 2.82Å; K217-Y266 PolarHBondContact O-N 2.84Å; V264-Y266 HydrophobicContact CG1-CE1 4.49Å; V264-Y266 HydrophobicContact CG1-CE2 4.1Å; Y266-T285 HydrophobicContact CD1-CG2 3.91Å; Y266-T285 HydrophobicContact CE1-CG2 3.78Å
267V89.7Confident88.1Confident32 Ų3270.2 Ų70.219%0.19432%0.319CS..EExtended strand (participates in β ladder)trans-108.6115.1-177.8-178.80000109Y215 V265 L283 M284Y215-V267 CarbonylContact O-C 3.49Å; Y215-V267 WeakPolarHBondContact O-CA 3.21Å; V265-V267 HydrophobicContact CG2-CG2 4.16Å; V267-L283 CarbonylContact O-C 3.59Å; V267-L283 VanDerWaalsContact O-CA 3.29Å; V267-L283 WeakPolarHBondContact O-CA 3.36Å; V267-M284 HydrophobicContact CB-CB 4.48Å; V267-M284 HydrophobicContact CB-CE 4.45Å; V267-M284 HydrophobicContact CG1-CE 4.06Å; V267-M284 PolarHBondContact N-O 2.91Å; V267-M284 PolarHBondContact O-N 2.75Å
268R89Confident88.1Confident70 Ų7066.2 Ų66.226%0.26431%0.308SS..EExtended strand (participates in β ladder)trans-95.4112166.7-173.3179.1-87.1171.5-10.3109Y32 A214 Y215 Y222 M282 L283Y32-R268 PolarHBondContact OH-NH2 3.01Å; A214-R268 CarbonylContact C-O 3.58Å; A214-R268 WeakPolarHBondContact CA-O 3.31Å; Y215-R268 PolarHBondContact N-O 3.16Å; Y215-R268 PolarHBondContact O-N 2.76Å; Y222-R268 HydrophobicContact CE1-CB 4.29Å; R268-M282 CarbonylContact C-O 3.47Å; R268-M282 WeakPolarHBondContact CA-O 3.12Å; R268-L283 HydrophobicContact CB-CD2 3.51Å; R268-L283 HydrophobicContact CB-CG 4.48Å; R268-L283 HydrophobicContact CG-CD2 3.84Å; R268-L283 HydrophobicContact CG-CG 4.38Å
269F92.7Very high88.1Confident0 Ų059.1 Ų59.10%028%0.278CS..EExtended strand (participates in β ladder)trans-110.8132.7178.6-179.9-94.5000110.6L197 V199 A212 A214 Y250 T252 F254 L271 C281 M282 M284L197-F269 HydrophobicContact CD2-CD1 3.99Å; L197-F269 HydrophobicContact CD2-CD2 3.76Å; L197-F269 HydrophobicContact CD2-CE1 4.1Å; L197-F269 HydrophobicContact CD2-CE2 3.9Å; L197-F269 HydrophobicContact CD2-CG 3.82Å; L197-F269 HydrophobicContact CD2-CZ 4.09Å; V199-F269 HydrophobicContact CG2-CE1 4.2Å; A212-F269 HydrophobicContact CB-CE2 4.05Å; A212-F269 HydrophobicContact CB-CZ 4.03Å; A214-F269 HydrophobicContact CB-CD2 4.17Å; Y250-F269 HydrophobicContact CD1-CE1 4.29Å; Y250-F269 AromaticContact CD1-CZ 3.85Å; Y250-F269 HydrophobicContact CD1-CZ 3.85Å; Y250-F269 HydrophobicContact CE1-CE1 4.27Å; Y250-F269 HydrophobicContact CE1-CE2 4.15Å; Y250-F269 AromaticContact CE1-CZ 3.39Å; Y250-F269 HydrophobicContact CE1-CZ 3.39Å; T252-F269 HydrophobicContact CG2-CE2 4.31Å; F254-F269 AromaticContact CZ-CD2 3.91Å; F254-F269 HydrophobicContact CZ-CD2 3.91Å; F254-F269 AromaticContact CZ-CE2 3.99Å; F254-F269 HydrophobicContact CZ-CE2 3.99Å; F269-L271 HydrophobicContact CE1-CD1 4.33Å; F269-L271 HydrophobicContact CE1-CD2 3.84Å; F269-L271 HydrophobicContact CE1-CG 3.69Å; F269-L271 HydrophobicContact CZ-CD2 3.62Å; F269-L271 HydrophobicContact CZ-CG 4.03Å; F269-C281 WeakPolarHBondContact O-CA 3.34Å; F269-M282 HydrophobicContact CB-CG 3.74Å; F269-M282 HydrophobicContact CB-SD 4.34Å; F269-M282 HydrophobicContact CD1-CE 3.82Å; F269-M282 HydrophobicContact CD1-CG 4.03Å; F269-M282 HydrophobicContact CD1-SD 3.97Å; F269-M282 HydrophobicContact CE1-CE 4.33Å; F269-M282 HydrophobicContact CG-CG 4.37Å; F269-M282 PolarHBondContact N-O 2.79Å; F269-M282 PolarHBondContact O-N 2.74Å; F269-M284 HydrophobicContact CB-CE 4.14Å
270K92.9Very high88.3Confident56 Ų5652.2 Ų52.224%0.24325%0.245CC..EExtended strand (participates in β ladder)trans-127.9141.2178.2-66.3-173.6176.2-173.40111.3A212 V213 L272 I280 C281A212-K270 WeakPolarHBondContact CA-O 3.49Å; V213-K270 PolarHBondContact N-O 2.87Å; V213-K270 PolarHBondContact O-N 3.42Å; K270-L272 HydrophobicContact CB-CD2 4.28Å; K270-I280 CarbonylContact C-O 3.51Å; K270-I280 WeakPolarHBondContact CA-O 3.46Å; K270-C281 HydrophobicContact CG-CB 4.46Å
271L91.9Very high88.5Confident0 Ų050.5 Ų50.50%024%0.239CC..EExtended strand (participates in β ladder)trans-110.4123.2159.8-63.8176000108.8F201 L210 A212 Y250 F269 Q279 I280F201-L271 HydrophobicContact CD1-CD1 4.41Å; F201-L271 HydrophobicContact CE1-CD1 3.76Å; F201-L271 HydrophobicContact CZ-CD1 4.15Å; L210-L271 HydrophobicContact CD2-CB 4.16Å; A212-L271 HydrophobicContact CB-CD2 3.79Å; Y250-L271 HydrophobicContact CD1-CD1 4.2Å; Y250-L271 HydrophobicContact CD1-CD2 3.96Å; Y250-L271 HydrophobicContact CD2-CD1 4.45Å; Y250-L271 HydrophobicContact CD2-CD2 4.05Å; Y250-L271 HydrophobicContact CE1-CD2 3.94Å; Y250-L271 HydrophobicContact CE2-CD2 4.04Å; Y250-L271 HydrophobicContact CG-CD1 3.91Å; Y250-L271 HydrophobicContact CG-CD2 4.01Å; F269-L271 HydrophobicContact CE1-CD1 4.33Å; F269-L271 HydrophobicContact CE1-CD2 3.84Å; F269-L271 HydrophobicContact CE1-CG 3.69Å; F269-L271 HydrophobicContact CZ-CD2 3.62Å; F269-L271 HydrophobicContact CZ-CG 4.03Å; L271-Q279 PolarHBondContact O-N 3.13Å; L271-I280 HydrophobicContact CB-CB 3.96Å; L271-I280 HydrophobicContact CB-CG1 4.37Å; L271-I280 HydrophobicContact CD1-CB 4.19Å; L271-I280 HydrophobicContact CD1-CG1 4.02Å; L271-I280 HydrophobicContact CG-CB 4.19Å; L271-I280 PolarHBondContact N-O 3.3Å; L271-I280 PolarHBondContact O-N 3.33Å
272L90.8Very high88.9Confident31 Ų3147.4 Ų47.416%0.16222%0.219CC..EExtended strand (participates in β ladder)trans-103.5140.4177.8-50.6-179.5000109.7L210 T211 V213 K270L210-L272 CarbonylContact C-O 3.53Å; L210-L272 WeakPolarHBondContact CA-O 3.48Å; T211-L272 PolarHBondContact N-O 3.22Å; T211-L272 PolarHBondContact O-N 2.86Å; V213-L272 HydrophobicContact CG2-CD1 3.94Å; V213-L272 HydrophobicContact CG2-CG 4.39Å; K270-L272 HydrophobicContact CB-CD2 4.28Å
273D90.2Very high88.8Confident2 Ų242.1 Ų42.11%0.01120%0.197CC..  trans-79.7-175.8174.871.612.6000113.1R170 V207 S209 K275 E276 R277 Q279R170-D273 IonicContact CZ-OD2 2.76Å; R170-D273 IonicContact NH1-OD2 2.69Å; R170-D273 IonicContact NH2-OD2 3.52Å; R170-D273 PolarHBondContact NH2-OD2 2.82Å; V207-D273 HydrophobicContact CG1-CB 4.36Å; S209-D273 CarbonylContact O-C 3.55Å; S209-D273 VanDerWaalsContact O-CA 3.31Å; S209-D273 WeakPolarHBondContact O-CA 3.39Å; D273-K275 PolarHBondContact O-N 2.77Å; D273-K275 VanDerWaalsContact O-N 3.13Å; D273-K275 WeakPolarHBondContact OD1-CA 3.26Å; D273-K275 WeakPolarHBondContact OD1-CB 3.12Å; D273-K275 PolarHBondContact OD1-N 2.77Å; D273-E276 PolarHBondContact O-N 3.12Å; D273-E276 PolarHBondContact OD1-N 2.77Å; D273-R277 PolarHBondContact N-O 2.82Å; D273-R277 WeakPolarHBondContact OD1-CB 3.18Å; D273-R277 PolarHBondContact OD1-N 3.4Å; D273-R277 IonicContact OD1-NE 3.71Å; D273-R277 IonicContact OD2-CZ 2.65Å; D273-R277 IonicContact OD2-NE 3.76Å; D273-R277 PolarHBondContact OD2-NE 2.87Å; D273-R277 IonicContact OD2-NH2 3.07Å; D273-R277 PolarHBondContact OD2-NH2 3.41Å; D273-Q279 HydrophobicContact CB-CG 3.71Å; D273-Q279 PolarHBondContact OD2-NE2 3.02Å
274Q88.5Confident89.3Confident68 Ų6838.6 Ų38.632%0.31818%0.178SC..THydrogen-bonded Turntrans-58.5-17.1175.165.4-79.8-2.400115.2T206 T208 S209T206-Q274 PolarHBondContact O-NE2 3.13Å; T208-Q274 WeakPolarHBondContact OG1-CB 3.36Å; T208-Q274 VanDerWaalsContact OG1-CG 3.28Å; T208-Q274 WeakPolarHBondContact OG1-CG 3.18Å; S209-Q274 PolarHBondContact O-N 2.92Å
275K90Very high89.4Confident141 Ų14138.3 Ų38.361%0.61318%0.176SC*.THydrogen-bonded Turntrans-104.616.1175.6-55.8-171.7-177.5179.60111.7D273 R277D273-K275 PolarHBondContact O-N 2.77Å; D273-K275 VanDerWaalsContact O-N 3.13Å; D273-K275 WeakPolarHBondContact OD1-CA 3.26Å; D273-K275 WeakPolarHBondContact OD1-CB 3.12Å; D273-K275 PolarHBondContact OD1-N 2.77Å; K275-R277 HydrophobicContact CB-CG 4.15Å; K275-R277 PolarHBondContact O-N 3.08Å; K275-R277 VanDerWaalsContact O-N 3.1Å
276E89.6Confident89.5Confident162 Ų16238.2 Ų38.276%0.75718%0.176SC*.SBendtrans58.317.7-173.9-55.4-165.1151.100114.7D273D273-E276 PolarHBondContact O-N 3.12Å; D273-E276 PolarHBondContact OD1-N 2.77Å
277R89.9Confident89.5Confident98 Ų9838.3 Ų38.337%0.3718%0.178SC..  trans-86.5133.1178.3-62.1179.4-59.7166.99.4109.5R170 D205 D273 K275 Q279R170-R277 PolarHBondContact NH2-O 2.03Å; D205-R277 IonicContact OD2-NH2 3.89Å; D205-R277 PolarHBondContact OD2-NH2 2.78Å; D273-R277 PolarHBondContact N-O 2.82Å; D273-R277 WeakPolarHBondContact OD1-CB 3.18Å; D273-R277 PolarHBondContact OD1-N 3.4Å; D273-R277 IonicContact OD1-NE 3.71Å; D273-R277 IonicContact OD2-CZ 2.65Å; D273-R277 IonicContact OD2-NE 3.76Å; D273-R277 PolarHBondContact OD2-NE 2.87Å; D273-R277 IonicContact OD2-NH2 3.07Å; D273-R277 PolarHBondContact OD2-NH2 3.41Å; K275-R277 HydrophobicContact CB-CG 4.15Å; K275-R277 PolarHBondContact O-N 3.08Å; K275-R277 VanDerWaalsContact O-N 3.1Å; R277-Q279 PolarHBondContact O-N 2.94Å; R277-Q279 VanDerWaalsContact O-N 3.09Å
278T90.4Very high89.5Confident36 Ų3637.1 Ų37.122%0.22117%0.17CC..EExtended strand (participates in β ladder)trans-53.7113.9176.9-53.90000111.4G168 R170 I280 C281G168-T278 WeakPolarHBondContact O-CG2 3.04Å; R170-T278 WeakPolarHBondContact CG-O 3.32Å; R170-T278 PolarHBondContact NE-O 3.47Å; R170-T278 PolarHBondContact NH2-O 3.11Å; T278-I280 WeakPolarHBondContact CG2-O 2.9Å; T278-C281 HydrophobicContact CG2-CB 3.7Å
279Q90.6Very high89.4Confident0 Ų034.8 Ų34.80%017%0.166CC..EExtended strand (participates in β ladder)trans-84.4-49.9166.7-72.9-69.7-21.900109.3S169 R170 A171 V207 L210 L271 D273 R277S169-Q279 CarbonylContact C-O 3.58Å; S169-Q279 WeakPolarHBondContact CA-O 3.38Å; S169-Q279 WeakPolarHBondContact CB-O 3.35Å; R170-Q279 PolarHBondContact N-O 2.79Å; A171-Q279 WeakPolarHBondContact CB-O 3.4Å; A171-Q279 PolarHBondContact N-O 2.73Å; V207-Q279 HydrophobicContact CG2-CG 4.12Å; L210-Q279 HydrophobicContact CD2-CG 4.47Å; L271-Q279 PolarHBondContact O-N 3.13Å; D273-Q279 HydrophobicContact CB-CG 3.71Å; D273-Q279 PolarHBondContact OD2-NE2 3.02Å; R277-Q279 PolarHBondContact O-N 2.94Å; R277-Q279 VanDerWaalsContact O-N 3.09Å
280I93.5Very high89.2Confident0 Ų038.7 Ų38.70%019%0.187CC..EExtended strand (participates in β ladder)trans-123.5135.7178.5-61.9-57000109.2S169 A171 I173 V199 F201 K270 L271 T278 M282S169-I280 WeakPolarHBondContact OG-CA 3.24Å; A171-I280 HydrophobicContact CB-CD1 3.72Å; I173-I280 HydrophobicContact CD1-CD1 4.21Å; I173-I280 HydrophobicContact CD1-CG2 4.01Å; I173-I280 HydrophobicContact CG1-CD1 3.51Å; I173-I280 HydrophobicContact CG1-CG2 4.33Å; V199-I280 HydrophobicContact CG1-CG2 4.37Å; F201-I280 HydrophobicContact CB-CD1 3.73Å; F201-I280 HydrophobicContact CB-CG1 4.3Å; F201-I280 HydrophobicContact CD1-CG1 4.18Å; F201-I280 HydrophobicContact CD2-CD1 4.1Å; F201-I280 HydrophobicContact CD2-CG1 4.16Å; F201-I280 HydrophobicContact CG-CD1 3.87Å; F201-I280 HydrophobicContact CG-CG1 3.96Å; K270-I280 CarbonylContact C-O 3.51Å; K270-I280 WeakPolarHBondContact CA-O 3.46Å; L271-I280 HydrophobicContact CB-CB 3.96Å; L271-I280 HydrophobicContact CB-CG1 4.37Å; L271-I280 HydrophobicContact CD1-CB 4.19Å; L271-I280 HydrophobicContact CD1-CG1 4.02Å; L271-I280 HydrophobicContact CG-CB 4.19Å; L271-I280 PolarHBondContact N-O 3.3Å; L271-I280 PolarHBondContact O-N 3.33Å; T278-I280 WeakPolarHBondContact CG2-O 2.9Å; I280-M282 HydrophobicContact CG2-CE 3.37Å
281C92.4Very high88.6Confident5 Ų540.8 Ų40.83%0.03420%0.204CC..EExtended strand (participates in β ladder)trans-133.8117.6166-166.50000107.1D166 C167 S169 F269 K270 T278D166-C281 WeakPolarHBondContact CA-O 3Å; C167-C281 VanDerWaalsContact C-SG 3.55Å; C167-C281 HydrophobicContact CB-CB 4.06Å; C167-C281 WeakPolarHBondContact CB-SG 3.32Å; C167-C281 PolarHBondContact N-O 2.77Å; C167-C281 PolarHBondContact O-SG 2.74Å; C167-C281 VanDerWaalsContact SG-CA 3.58Å; C167-C281 WeakPolarHBondContact SG-CB 3.28Å; C167-C281 CovalentContact SG-SG 2.04Å; C167-C281 PolarHBondContact SG-SG 2.71Å; S169-C281 PolarHBondContact OG-N 3.41Å; S169-C281 PolarHBondContact OG-O 3.47Å; S169-C281 VanDerWaalsContact OG-O 3.1Å; F269-C281 WeakPolarHBondContact O-CA 3.34Å; K270-C281 HydrophobicContact CG-CB 4.46Å; T278-C281 HydrophobicContact CG2-CB 3.7Å
282M91.7Very high87.6Confident0 Ų044.5 Ų44.50%023%0.229CC..EExtended strand (participates in β ladder)trans-129.8148.2173.266.7-17675.800111.1Y164 M165 C167 I173 V176 V199 R268 F269 I280 M284Y164-M282 HydrophobicContact CD2-CB 4.02Å; M165-M282 CarbonylContact O-C 3.56Å; M165-M282 WeakPolarHBondContact O-CA 3.4Å; C167-M282 PolarHBondContact SG-N 2.77Å; C167-M282 VanDerWaalsContact SG-N 3.37Å; I173-M282 HydrophobicContact CD1-CE 4.45Å; V176-M282 HydrophobicContact CG1-SD 3.9Å; V176-M282 HydrophobicContact CG2-CE 3.92Å; V176-M282 HydrophobicContact CG2-SD 3.91Å; V199-M282 HydrophobicContact CB-CE 3.99Å; V199-M282 HydrophobicContact CG1-CE 3.41Å; V199-M282 VanDerWaalsContact CG1-CE 3.41Å; V199-M282 HydrophobicContact CG2-CE 3.33Å; V199-M282 HydrophobicContact CG2-SD 4.11Å; R268-M282 CarbonylContact C-O 3.47Å; R268-M282 WeakPolarHBondContact CA-O 3.12Å; F269-M282 HydrophobicContact CB-CG 3.74Å; F269-M282 HydrophobicContact CB-SD 4.34Å; F269-M282 HydrophobicContact CD1-CE 3.82Å; F269-M282 HydrophobicContact CD1-CG 4.03Å; F269-M282 HydrophobicContact CD1-SD 3.97Å; F269-M282 HydrophobicContact CE1-CE 4.33Å; F269-M282 HydrophobicContact CG-CG 4.37Å; F269-M282 PolarHBondContact N-O 2.79Å; F269-M282 PolarHBondContact O-N 2.74Å; I280-M282 HydrophobicContact CG2-CE 3.37Å; M282-M284 HydrophobicContact CG-CE 4.2Å; M282-M284 HydrophobicContact SD-CE 3.87Å; M282-M284 HydrophobicContact SD-SD 3.89Å
283L85Confident86Confident17 Ų1747.5 Ų47.59%0.08924%0.24CC..EExtended strand (participates in β ladder)trans-114.4128.8169.7-75.6158.3000108.1Y32 Y164 M165 C167 V267 R268Y32-L283 HydrophobicContact CE2-CD1 3.56Å; Y32-L283 HydrophobicContact CE2-CD2 4.47Å; Y32-L283 WeakPolarHBondContact OH-CD2 3.35Å; Y164-L283 CarbonylContact C-O 3.46Å; Y164-L283 WeakPolarHBondContact CA-O 3.25Å; M165-L283 HydrophobicContact CB-CB 4.27Å; M165-L283 HydrophobicContact CE-CB 4.09Å; M165-L283 HydrophobicContact CE-CD1 3.23Å; M165-L283 HydrophobicContact CE-CG 4.24Å; M165-L283 PolarHBondContact N-O 3.19Å; M165-L283 PolarHBondContact O-N 2.9Å; C167-L283 HydrophobicContact CB-CD1 3.64Å; C167-L283 HydrophobicContact CB-CG 4.14Å; V267-L283 CarbonylContact O-C 3.59Å; V267-L283 VanDerWaalsContact O-CA 3.29Å; V267-L283 WeakPolarHBondContact O-CA 3.36Å; R268-L283 HydrophobicContact CB-CD2 3.51Å; R268-L283 HydrophobicContact CB-CG 4.48Å; R268-L283 HydrophobicContact CG-CD2 3.84Å; R268-L283 HydrophobicContact CG-CG 4.38Å
284M87.8Confident83.9Confident20 Ų2051.9 Ų51.910%0.09927%0.267CS..EExtended strand (participates in β ladder)trans-127.4153.2178.1-64.5172.2-67.400108.8V162 V176 V178 L197 V267 F269 M282V162-M284 HydrophobicContact CG2-SD 4.27Å; V176-M284 HydrophobicContact CG1-SD 3.88Å; V178-M284 HydrophobicContact CG2-SD 4.37Å; L197-M284 HydrophobicContact CD1-CE 3.97Å; L197-M284 HydrophobicContact CD1-SD 3.94Å; L197-M284 HydrophobicContact CD2-CE 4.14Å; V267-M284 HydrophobicContact CB-CB 4.48Å; V267-M284 HydrophobicContact CB-CE 4.45Å; V267-M284 HydrophobicContact CG1-CE 4.06Å; V267-M284 PolarHBondContact N-O 2.91Å; V267-M284 PolarHBondContact O-N 2.75Å; F269-M284 HydrophobicContact CB-CE 4.14Å; M282-M284 HydrophobicContact CG-CE 4.2Å; M282-M284 HydrophobicContact SD-CE 3.87Å; M282-M284 HydrophobicContact SD-SD 3.89Å
285T81.9Confident81.7Confident22 Ų2256 Ų5614%0.13528%0.284CS..EExtended strand (participates in β ladder)trans-114.8142175.6-32.60000108.6W8 V264 Y266W8-T285 HydrophobicContact CE3-CG2 4.14Å; W8-T285 HydrophobicContact CZ3-CG2 4.01Å; V264-T285 HydrophobicContact CG1-CG2 3.72Å; Y266-T285 HydrophobicContact CD1-CG2 3.91Å; Y266-T285 HydrophobicContact CE1-CG2 3.78Å
286G86.8Confident78.9Confident3 Ų358.6 Ų58.63%0.03129%0.291CS..EExtended strand (participates in β ladder)trans-152.4-177.2171.200000109.1N186 C187 V264 V265N186-G286 WeakPolarHBondContact OD1-CA 3.49Å; N186-G286 PolarHBondContact OD1-O 3.49Å; C187-G286 WeakPolarHBondContact O-CA 3.39Å; V264-G286 CarbonylContact C-O 3.55Å; V264-G286 WeakPolarHBondContact CA-O 3.42Å; V265-G286 PolarHBondContact N-O 3.47Å; V265-G286 PolarHBondContact O-N 2.78Å
287H84.8Confident76.1Confident41 Ų4159.6 Ų59.619%0.1930%0.296CS..EExtended strand (participates in β ladder)trans-138.8146.9172.769.4-75.1000110.9N186 C187 T188 L189 N263N186-H287 PolarHBondContact ND2-ND1 2.79Å; N186-H287 VanDerWaalsContact ND2-ND1 3.16Å; N186-H287 PolarHBondContact O-CE1 3.39Å; N186-H287 PolarHBondContact O-ND1 2.86Å; N186-H287 PolarHBondContact OD1-N 2.88Å; N186-H287 PolarHBondContact OD1-ND1 2.93Å; C187-H287 PolarHBondContact O-N 2.89Å; T188-H287 PolarHBondContact OG1-CE1 3.37Å; T188-H287 PolarHBondContact OG1-NE2 3.4Å; L189-H287 PolarHBondContact N-O 2.96Å; N263-H287 CarbonylContact O-C 3.58Å; N263-H287 WeakPolarHBondContact O-CA 3.16Å
288I88.1Confident73.4Confident8 Ų865.8 Ų65.84%0.04132%0.32CS..EExtended strand (participates in β ladder)trans-95.4127.6-179.9-62.7-179.4000109.4L189 K191 L218 V256 Y260 K262 N263 V265L189-I288 HydrophobicContact CB-CG1 4.22Å; L189-I288 WeakPolarHBondContact O-CA 2.97Å; K191-I288 HydrophobicContact CD-CG2 4.06Å; K191-I288 HydrophobicContact CG-CG2 3.5Å; K191-I288 VanDerWaalsContact CG-CG2 3.5Å; L218-I288 HydrophobicContact CD2-CD1 3.36Å; V256-I288 HydrophobicContact CG1-CG2 4.41Å; Y260-I288 HydrophobicContact CD2-CD1 3.98Å; Y260-I288 HydrophobicContact CG-CD1 4.25Å; K262-I288 VanDerWaalsContact CA-O 3.3Å; K262-I288 WeakPolarHBondContact CA-O 3.42Å; N263-I288 PolarHBondContact O-N 2.77Å; V265-I288 HydrophobicContact CG1-CG1 4.16Å
289A87.9Confident70.7Confident20 Ų2069 Ų6917%0.16534%0.344CS..EExtended strand (participates in β ladder)trans-138.8162.4179.700000111.7T188 L189 V190 K191T188-A289 HydrophobicContact CG2-CB 3.89Å; L189-A289 PolarHBondContact O-N 3.15Å; V190-A289 CarbonylContact C-O 3.54Å; V190-A289 WeakPolarHBondContact CA-O 3.39Å; K191-A289 WeakPolarHBondContact CG-O 3.29Å; K191-A289 PolarHBondContact N-O 3.36Å
290D88.4Confident68.1Low83 Ų8376 Ų7644%0.44438%0.381SS..SBendtrans-79.3-26.3177.1-71.3-9.8000112.7V190 K191 K262V190-D290 WeakPolarHBondContact CG1-O 3.37Å; K191-D290 WeakPolarHBondContact CD-OD1 3.42Å; K262-D290 WeakPolarHBondContact CE-OD1 3.48Å; K262-D290 WeakPolarHBondContact CE-OD2 3.44Å; K262-D290 VanDerWaalsContact NZ-CG 3.32Å; K262-D290 IonicContact NZ-OD1 3.07Å; K262-D290 IonicContact NZ-OD2 2.79Å; K262-D290 PolarHBondContact NZ-OD2 3.12Å
291T81.5Confident65.4Low99 Ų9981.2 Ų81.261%0.60742%0.418SS*.SBendtrans-132.9148.6-177.154.30000109.7
292P69.7Low63Low79 Ų7989.8 Ų89.851%0.51346%0.457SS..  trans-59.5151170.225.1-31.3000110.2V190 V294V190-P292 HydrophobicContact CG2-CB 4.1Å; P292-V294 PolarHBondContact O-N 2.93Å; P292-V294 VanDerWaalsContact O-N 3.08Å
293F58.2Low60.6Low93 Ų93102.3 Ų102.341%0.40852%0.516SS..  trans-66.5109.9176.2-156.2-94.1000108.8R94 D182R94-F293 VanDerWaalsContact NH2-CE2 3.27Å; D182-F293 VanDerWaalsContact OD2-CB 3.25Å; D182-F293 WeakPolarHBondContact OD2-CB 3.13Å
294V46.2Very low59.4Low95 Ų95106.6 Ų106.658%0.57654%0.537SS*.  trans-85.6113.4172.2-1750000106.5P292 Y296P292-V294 PolarHBondContact O-N 2.93Å; P292-V294 VanDerWaalsContact O-N 3.08Å; V294-Y296 PolarHBondContact O-N 3.06Å
295F41.5Very low57.9Low154 Ų154111.2 Ų111.268%0.67556%0.56SS**  trans-62.3105.4161.2-81-89.1000106.6E297F295-E297 PolarHBondContact O-N 2.91Å
296Y32.1Very low56.5Low195 Ų195116.1 Ų116.177%0.76558%0.584SS**  trans-66.395.8155.4-78.1-83.3000105.4V294 W298V294-Y296 PolarHBondContact O-N 3.06Å; Y296-W298 VanDerWaalsContact C-N 3.31Å; Y296-W298 PolarHBondContact O-N 3.31Å
297E30.7Very low54.7Low183 Ų183122.8 Ų122.886%0.85562%0.616SS**  trans-59.7104159.8-137.5168.6-160.300104.8F295 S299F295-E297 PolarHBondContact O-N 2.91Å; E297-S299 PolarHBondContact O-N 3.28Å
298W33.4Very low52.9Low229 Ų229127.9 Ų127.987%0.86764%0.643SS**  trans-66.195166.5-67.282.6000104.4Y296 D300Y296-W298 VanDerWaalsContact C-N 3.31Å; Y296-W298 PolarHBondContact O-N 3.31Å; W298-D300 PolarHBondContact O-N 3.38Å
299S32.9Very low50.5Low103 Ų103135.9 Ų135.972%0.7268%0.683SS**  trans-59.3110160.3550000105.2E297 S301E297-S299 PolarHBondContact O-N 3.28Å; S299-S301 VanDerWaalsContact C-N 3.28Å; S299-S301 PolarHBondContact O-N 3.08Å
300D35.7Very low47.8Very low146 Ų146144.1 Ų144.178%0.78172%0.72SS**  trans-53.8100.3165.3-72.2-43.1000107W298 E302W298-D300 PolarHBondContact O-N 3.38Å; D300-E302 PolarHBondContact O-N 3.21Å; D300-E302 VanDerWaalsContact O-N 3.14Å
301S36Very low44.7Very low111 Ų111148.8 Ų148.878%0.77674%0.741SS**  trans-76.285.2157.956.40000105.8S299 E303S299-S301 VanDerWaalsContact C-N 3.28Å; S299-S301 PolarHBondContact O-N 3.08Å; S301-E303 PolarHBondContact O-N 3.12Å
302E43Very low41.7Very low184 Ų184153 Ų15386%0.8675%0.753SS**  trans-67.2110.2156.9-73.8-175.9153.600107.3D300D300-E302 PolarHBondContact O-N 3.21Å; D300-E302 VanDerWaalsContact O-N 3.14Å
303E40.8Very low39.1Very low264 Ų264159.7 Ų159.7100%1.23477%0.774SS**  trans-73.50149.1-78.7-176.415000110.1S301S301-E303 PolarHBondContact O-N 3.12Å

Retrieved 303 of 303 residues in 436.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).