A0A5K4F976_SCHMA Loading...

UBP-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F976, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 173 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
1M50.8Low83.2Confident235 Ų23597.8 Ų97.8100%1.15849%0.49SS*.  0143.80-60.9-158.5-167.100107.5
2P58.8Low84.3Confident111 Ų11190.4 Ų90.472%0.72145%0.452SS*.  trans-56.4143.8175.1-12.123.2000109.7M4P2-M4 PolarHBondContact O-N 3.11Å; P2-M4 VanDerWaalsContact O-N 3.16Å
3E65.9Low85.2Confident127 Ų12784.4 Ų84.459%0.59342%0.421SS*.  trans-62.6117171.1-167.1172.1-148.200108.2S5 N10E3-S5 PolarHBondContact O-N 2.86Å; E3-N10 PolarHBondContact OE2-ND2 3.17Å
4M79.3Confident85.9Confident154 Ų15486.1 Ų86.176%0.75944%0.439SS*.  trans-80.28.9-177.1-62.4-69.1-74.500112.5P2 Y117P2-M4 PolarHBondContact O-N 3.11Å; P2-M4 VanDerWaalsContact O-N 3.16Å; M4-Y117 HydrophobicContact CB-CD1 4.43Å
5S88.8Confident86.5Confident18 Ų1887.4 Ų87.413%0.12644%0.443CS..SBendtrans-84.4147.6179.4-55.30000110.8E3 N10 Y117 H118E3-S5 PolarHBondContact O-N 2.86Å; S5-N10 WeakPolarHBondContact CB-OD1 3.47Å; S5-Y117 WeakPolarHBondContact CA-O 3.43Å; S5-H118 PolarHBondContact OG-CD2 3.28Å
6C95Very high86.9Confident22 Ų2291.7 Ų91.715%0.14946%0.457CS..  trans-76.8155.8171.176.70000111.4H8 A9 N10 C112 V116C6-H8 PolarHBondContact O-N 3.33Å; C6-A9 PolarHBondContact O-N 3.43Å; C6-A9 VanDerWaalsContact O-N 3.11Å; C6-A9 VanDerWaalsContact SG-CB 3.59Å; C6-A9 PolarHBondContact SG-N 2.98Å; C6-N10 PolarHBondContact O-N 3.29Å; C6-C112 WeakPolarHBondContact CB-SG 3.39Å; C6-V116 HydrophobicContact CB-CG1 4.28Å
7K94.8Very high87.4Confident178 Ų17891.9 Ų91.977%0.77447%0.465SS*.Hα-helixtrans-56.9-37.4179-67.5178.5-179.9177.90112.7N10 Q11K7-N10 PolarHBondContact O-N 3.24Å; K7-Q11 WeakPolarHBondContact O-CB 3.45Å; K7-Q11 PolarHBondContact O-N 3.23Å
8H95.7Very high87.8Confident52 Ų5288 Ų8824%0.24145%0.445CS..Hα-helixtrans-65.2-41.1178.5-48.4120000111.9C6 Q11 F12 Y97 C109C6-H8 PolarHBondContact O-N 3.33Å; H8-Q11 PolarHBondContact O-N 3.13Å; H8-F12 WeakPolarHBondContact O-CB 3.44Å; H8-F12 PolarHBondContact O-N 3.3Å; H8-Y97 HydrophobicContact CB-CG 4.18Å; H8-C109 PolarHBondContact ND1-SG 3.5Å; H8-C109 VanDerWaalsContact ND1-SG 3.37Å
9A96.1Very high88.2Confident0 Ų086.4 Ų86.40%044%0.436CS..Hα-helixtrans-64.4-48.517600000110.9C6 Q11 F12 F13 L98 L107 H118C6-A9 PolarHBondContact O-N 3.43Å; C6-A9 VanDerWaalsContact O-N 3.11Å; C6-A9 VanDerWaalsContact SG-CB 3.59Å; C6-A9 PolarHBondContact SG-N 2.98Å; A9-Q11 VanDerWaalsContact C-N 3.3Å; A9-Q11 PolarHBondContact O-N 2.97Å; A9-F12 WeakPolarHBondContact O-CB 3.43Å; A9-F12 PolarHBondContact O-N 3.42Å; A9-F13 WeakPolarHBondContact O-CD2 3.47Å; A9-F13 PolarHBondContact O-N 3.04Å; A9-L98 HydrophobicContact CB-CD1 4.35Å; A9-L107 HydrophobicContact CB-CD2 4.36Å; A9-H118 HydrophobicContact CB-CB 4.28Å
10N95.4Very high88.6Confident46 Ų4686.5 Ų86.525%0.24644%0.437CS..Hα-helixtrans-56.3-45.9176.9-73.33.3000111.5E3 S5 C6 K7 T14 H118E3-N10 PolarHBondContact OE2-ND2 3.17Å; S5-N10 WeakPolarHBondContact CB-OD1 3.47Å; C6-N10 PolarHBondContact O-N 3.29Å; K7-N10 PolarHBondContact O-N 3.24Å; N10-T14 VanDerWaalsContact O-CG2 3.28Å; N10-T14 WeakPolarHBondContact O-CG2 3.4Å; N10-T14 PolarHBondContact O-N 3.17Å; N10-H118 PolarHBondContact OD1-CD2 3.4Å; N10-H118 PolarHBondContact OD1-NE2 3.36Å
11Q95.1Very high89Confident133 Ų13383.6 Ų83.662%0.62143%0.426SS*.Hα-helixtrans-62.8-44.8177.9-175.3176.3-5.200112.1K7 H8 A9 F13 T14K7-Q11 WeakPolarHBondContact O-CB 3.45Å; K7-Q11 PolarHBondContact O-N 3.23Å; H8-Q11 PolarHBondContact O-N 3.13Å; A9-Q11 VanDerWaalsContact C-N 3.3Å; A9-Q11 PolarHBondContact O-N 2.97Å; Q11-F13 PolarHBondContact O-N 3.2Å; Q11-T14 WeakPolarHBondContact O-CB 3.49Å; Q11-T14 PolarHBondContact O-N 3.38Å; Q11-T14 PolarHBondContact O-OG1 3.33Å
12F96.3Very high91.2Very high9 Ų972.4 Ų72.44%0.03937%0.371CS..Hα-helixtrans-60-46.4179.2177.6-97000112.5H8 A9 T14 Q15 N18 C22 A73 H74 L98H8-F12 WeakPolarHBondContact O-CB 3.44Å; H8-F12 PolarHBondContact O-N 3.3Å; A9-F12 WeakPolarHBondContact O-CB 3.43Å; A9-F12 PolarHBondContact O-N 3.42Å; F12-T14 PolarHBondContact O-N 2.75Å; F12-Q15 PolarHBondContact O-N 3.4Å; F12-N18 HydrophobicContact CD1-CB 3.94Å; F12-N18 HydrophobicContact CD2-CB 4.06Å; F12-N18 HydrophobicContact CE1-CB 3.6Å; F12-N18 HydrophobicContact CE2-CB 3.7Å; F12-N18 HydrophobicContact CG-CB 4.18Å; F12-N18 HydrophobicContact CZ-CB 3.46Å; F12-N18 VanDerWaalsContact CZ-CB 3.46Å; F12-N18 WeakPolarHBondContact O-CB 3.41Å; F12-N18 PolarHBondContact O-ND2 2.73Å; F12-C22 HydrophobicContact CE1-CB 4.27Å; F12-A73 HydrophobicContact CE1-CB 4.12Å; F12-A73 HydrophobicContact CE2-CB 3.97Å; F12-A73 HydrophobicContact CZ-CB 3.38Å; F12-H74 AromaticContact CD2-CE1 3.36Å; F12-H74 WeakPolarHBondContact CD2-CE1 3.42Å; F12-H74 AromaticContact CD2-ND1 3.99Å; F12-H74 AromaticContact CD2-NE2 3.34Å; F12-H74 VanDerWaalsContact CD2-NE2 3.34Å; F12-H74 WeakPolarHBondContact CD2-NE2 3.33Å; F12-H74 AromaticContact CE2-CD2 3.62Å; F12-H74 AromaticContact CE2-CE1 3.62Å; F12-H74 AromaticContact CE2-CG 3.86Å; F12-H74 AromaticContact CE2-ND1 3.84Å; F12-H74 AromaticContact CE2-NE2 3.45Å; F12-H74 WeakPolarHBondContact CE2-NE2 3.33Å; F12-L98 HydrophobicContact CB-CD1 3.44Å; F12-L98 VanDerWaalsContact CB-CD1 3.44Å; F12-L98 HydrophobicContact CB-CG 4.03Å; F12-L98 HydrophobicContact CD1-CD1 3.33Å; F12-L98 HydrophobicContact CD1-CG 4.36Å; F12-L98 HydrophobicContact CD2-CB 4.25Å; F12-L98 HydrophobicContact CD2-CD1 4.05Å; F12-L98 HydrophobicContact CD2-CG 4.25Å; F12-L98 HydrophobicContact CE1-CD1 4.02Å; F12-L98 HydrophobicContact CE2-CB 4.39Å; F12-L98 HydrophobicContact CG-CB 4.34Å; F12-L98 HydrophobicContact CG-CD1 3.33Å; F12-L98 HydrophobicContact CG-CG 3.97Å
13F95.8Very high93Very high12 Ų1271.9 Ų71.95%0.05336%0.357CS..Hα-helixtrans-76.5-2.7-178.2-72.2-68.9000113.8A9 Q11 Q15 E19 C22 L98 L107 H118 V120 A121A9-F13 WeakPolarHBondContact O-CD2 3.47Å; A9-F13 PolarHBondContact O-N 3.04Å; Q11-F13 PolarHBondContact O-N 3.2Å; F13-Q15 PolarHBondContact O-N 3.24Å; F13-E19 HydrophobicContact CD1-CG 4.1Å; F13-C22 HydrophobicContact CE1-CB 4.13Å; F13-C22 HydrophobicContact CZ-CB 4.47Å; F13-L98 HydrophobicContact CE2-CD1 4.14Å; F13-L107 HydrophobicContact CE2-CD2 3.74Å; F13-L107 HydrophobicContact CZ-CD2 4.19Å; F13-H118 HydrophobicContact CD2-CB 4.21Å; F13-H118 AromaticContact CD2-CD2 3.61Å; F13-H118 AromaticContact CD2-CE1 3.33Å; F13-H118 WeakPolarHBondContact CD2-CE1 3.39Å; F13-H118 AromaticContact CD2-CG 3.45Å; F13-H118 VanDerWaalsContact CD2-CG 3.45Å; F13-H118 AromaticContact CD2-ND1 3.26Å; F13-H118 VanDerWaalsContact CD2-ND1 3.26Å; F13-H118 WeakPolarHBondContact CD2-ND1 3.47Å; F13-H118 AromaticContact CD2-NE2 3.54Å; F13-H118 HydrophobicContact CE2-CB 3.86Å; F13-H118 AromaticContact CE2-CG 3.61Å; F13-H118 AromaticContact CE2-ND1 3.61Å; F13-H118 AromaticContact CG-CE1 3.58Å; F13-H118 AromaticContact CG-ND1 3.8Å; F13-V120 HydrophobicContact CD1-CB 4.16Å; F13-V120 HydrophobicContact CD1-CG1 3.88Å; F13-V120 HydrophobicContact CE1-CB 4.4Å; F13-V120 HydrophobicContact CE1-CG1 4.06Å; F13-V120 HydrophobicContact CG-CB 4.45Å; F13-A121 HydrophobicContact CE2-CB 4.28Å; F13-A121 HydrophobicContact CZ-CB 3.81Å
14T94.3Very high94.5Very high109 Ų10969.3 Ų69.367%0.66935%0.348SS*.THydrogen-bonded Turntrans-63.5-24.8167.564.10000112.6N10 Q11 F12N10-T14 VanDerWaalsContact O-CG2 3.28Å; N10-T14 WeakPolarHBondContact O-CG2 3.4Å; N10-T14 PolarHBondContact O-N 3.17Å; Q11-T14 WeakPolarHBondContact O-CB 3.49Å; Q11-T14 PolarHBondContact O-N 3.38Å; Q11-T14 PolarHBondContact O-OG1 3.33Å; F12-T14 PolarHBondContact O-N 2.75Å
15Q94.7Very high95.4Very high105 Ų10562.1 Ų62.149%0.49131%0.312SS..SBendtrans-98.4121.7-178.3-60.2-178.22.400111F12 F13 T17 N18 E19F12-Q15 PolarHBondContact O-N 3.4Å; F13-Q15 PolarHBondContact O-N 3.24Å; Q15-T17 VanDerWaalsContact C-N 3.25Å; Q15-T17 PolarHBondContact O-N 3.49Å; Q15-N18 HydrophobicContact CB-CB 4.18Å; Q15-N18 WeakPolarHBondContact O-CB 3.35Å; Q15-N18 PolarHBondContact O-N 3.42Å; Q15-N18 PolarHBondContact OE1-ND2 2.93Å; Q15-N18 VanDerWaalsContact OE1-ND2 3.09Å; Q15-E19 PolarHBondContact O-N 2.95Å
16K93.6Very high95.8Very high156 Ų15661.3 Ų61.368%0.67831%0.307SS*.Hα-helixtrans-61-32.6-179.7-167.1172.3-175175.20113.6N18 E19 I20K16-N18 VanDerWaalsContact C-N 3.29Å; K16-N18 PolarHBondContact O-N 2.97Å; K16-E19 WeakPolarHBondContact O-CB 3.49Å; K16-E19 PolarHBondContact O-N 2.7Å; K16-I20 HydrophobicContact CG-CD1 4.43Å; K16-I20 WeakPolarHBondContact O-CG1 3.35Å; K16-I20 PolarHBondContact O-N 2.9Å; K16-I20 VanDerWaalsContact O-N 3.12Å
17T94.9Very high95.8Very high95 Ų9561.2 Ų61.258%0.58331%0.305SS*.Hα-helixtrans-60.7-40.1175.344.50000111.7Q15 I20 A21Q15-T17 VanDerWaalsContact C-N 3.25Å; Q15-T17 PolarHBondContact O-N 3.49Å; T17-I20 PolarHBondContact O-N 3.09Å; T17-A21 PolarHBondContact O-N 3.43Å
18N95.5Very high95.8Very high22 Ų2258.1 Ų58.112%0.11829%0.293CS..Hα-helixtrans-68.6-38.4178-69.7-5.8000111.6F12 Q15 K16 I20 A21 C22F12-N18 HydrophobicContact CD1-CB 3.94Å; F12-N18 HydrophobicContact CD2-CB 4.06Å; F12-N18 HydrophobicContact CE1-CB 3.6Å; F12-N18 HydrophobicContact CE2-CB 3.7Å; F12-N18 HydrophobicContact CG-CB 4.18Å; F12-N18 HydrophobicContact CZ-CB 3.46Å; F12-N18 VanDerWaalsContact CZ-CB 3.46Å; F12-N18 WeakPolarHBondContact O-CB 3.41Å; F12-N18 PolarHBondContact O-ND2 2.73Å; Q15-N18 HydrophobicContact CB-CB 4.18Å; Q15-N18 WeakPolarHBondContact O-CB 3.35Å; Q15-N18 PolarHBondContact O-N 3.42Å; Q15-N18 PolarHBondContact OE1-ND2 2.93Å; Q15-N18 VanDerWaalsContact OE1-ND2 3.09Å; K16-N18 VanDerWaalsContact C-N 3.29Å; K16-N18 PolarHBondContact O-N 2.97Å; N18-I20 VanDerWaalsContact C-N 3.32Å; N18-I20 PolarHBondContact O-N 2.7Å; N18-A21 PolarHBondContact O-N 2.7Å; N18-C22 WeakPolarHBondContact O-CB 3.48Å; N18-C22 PolarHBondContact O-N 2.73Å
19E95.5Very high95.8Very high58 Ų5856.3 Ų56.327%0.27129%0.285SS..Hα-helixtrans-58.2-46172.1-53.2-165149.500111.5F13 Q15 K16 C22 K23 F124F13-E19 HydrophobicContact CD1-CG 4.1Å; Q15-E19 PolarHBondContact O-N 2.95Å; K16-E19 WeakPolarHBondContact O-CB 3.49Å; K16-E19 PolarHBondContact O-N 2.7Å; E19-C22 PolarHBondContact O-N 3.28Å; E19-K23 VanDerWaalsContact O-CB 3.24Å; E19-K23 WeakPolarHBondContact O-CB 3.31Å; E19-K23 PolarHBondContact O-N 3.17Å; E19-F124 HydrophobicContact CB-CE2 4.2Å; E19-F124 HydrophobicContact CB-CZ 4.2Å; E19-F124 WeakPolarHBondContact O-CE2 3.44Å
20I96Very high95.7Very high88 Ų8856.4 Ų56.445%0.45129%0.285SS..Hα-helixtrans-64.1-44.7179.9-66.5165.3000110.3K16 T17 N18 K23 N24K16-I20 HydrophobicContact CG-CD1 4.43Å; K16-I20 WeakPolarHBondContact O-CG1 3.35Å; K16-I20 PolarHBondContact O-N 2.9Å; K16-I20 VanDerWaalsContact O-N 3.12Å; T17-I20 PolarHBondContact O-N 3.09Å; N18-I20 VanDerWaalsContact C-N 3.32Å; N18-I20 PolarHBondContact O-N 2.7Å; I20-K23 PolarHBondContact O-N 3.47Å; I20-N24 WeakPolarHBondContact CG2-ND2 3.23Å; I20-N24 WeakPolarHBondContact O-CB 3.44Å; I20-N24 VanDerWaalsContact O-CG 3.23Å; I20-N24 PolarHBondContact O-N 3.43Å; I20-N24 PolarHBondContact O-ND2 3.29Å
21A95.9Very high95.7Very high25 Ų2555.2 Ų55.221%0.20728%0.278CS..Hα-helixtrans-59.3-51.6177.300000111.2T17 N18 K23 N24 I25 A73T17-A21 PolarHBondContact O-N 3.43Å; N18-A21 PolarHBondContact O-N 2.7Å; A21-K23 PolarHBondContact O-N 3Å; A21-N24 PolarHBondContact O-N 2.97Å; A21-N24 VanDerWaalsContact O-N 3.15Å; A21-I25 WeakPolarHBondContact O-CG1 3.21Å; A21-I25 PolarHBondContact O-N 3.37Å; A21-A73 WeakPolarHBondContact CB-O 3.44Å
22C97.5Very high95.6Very high0 Ų049 Ų490%025%0.249CC..Hα-helixtrans-57.3-48177.1-178.20000111.8F12 F13 N18 E19 N24 I25 I26F12-C22 HydrophobicContact CE1-CB 4.27Å; F13-C22 HydrophobicContact CE1-CB 4.13Å; F13-C22 HydrophobicContact CZ-CB 4.47Å; N18-C22 WeakPolarHBondContact O-CB 3.48Å; N18-C22 PolarHBondContact O-N 2.73Å; E19-C22 PolarHBondContact O-N 3.28Å; C22-N24 VanDerWaalsContact C-N 3.3Å; C22-N24 PolarHBondContact O-N 3.02Å; C22-I25 PolarHBondContact O-N 2.87Å; C22-I26 WeakPolarHBondContact O-CG1 3.25Å; C22-I26 PolarHBondContact O-N 3.24Å
23K97.5Very high95.3Very high100 Ų10051.7 Ų51.744%0.43526%0.261SS..Hα-helixtrans-57.8-41.5176.4-178.4179.3177-179.60112.4E19 I20 A21 I26 N27 F124E19-K23 VanDerWaalsContact O-CB 3.24Å; E19-K23 WeakPolarHBondContact O-CB 3.31Å; E19-K23 PolarHBondContact O-N 3.17Å; I20-K23 PolarHBondContact O-N 3.47Å; A21-K23 PolarHBondContact O-N 3Å; K23-I26 PolarHBondContact O-N 3.18Å; K23-N27 WeakPolarHBondContact CG-ND2 3.17Å; K23-N27 WeakPolarHBondContact O-CB 3.35Å; K23-N27 PolarHBondContact O-N 3.15Å; K23-N27 PolarHBondContact O-ND2 2.84Å; K23-F124 HydrophobicContact CB-CD1 4.3Å; K23-F124 HydrophobicContact CB-CD2 3.79Å; K23-F124 HydrophobicContact CB-CE1 4.42Å; K23-F124 HydrophobicContact CB-CE2 3.9Å; K23-F124 HydrophobicContact CB-CG 4Å; K23-F124 HydrophobicContact CB-CZ 4.23Å; K23-F124 HydrophobicContact CD-CD1 4.14Å; K23-F124 HydrophobicContact CD-CE1 4.05Å; K23-F124 HydrophobicContact CD-CZ 4.44Å; K23-F124 HydrophobicContact CG-CD1 4.11Å; K23-F124 HydrophobicContact CG-CD2 4.43Å; K23-F124 HydrophobicContact CG-CE1 4.4Å; K23-F124 HydrophobicContact CG-CG 4.14Å
24N96.9Very high95.1Very high74 Ų7454.1 Ų54.140%0.39628%0.28SS..Hα-helixtrans-69.7-41.2-180-75.1-28.6000111.9I20 A21 C22 I26 N27 H28I20-N24 WeakPolarHBondContact CG2-ND2 3.23Å; I20-N24 WeakPolarHBondContact O-CB 3.44Å; I20-N24 VanDerWaalsContact O-CG 3.23Å; I20-N24 PolarHBondContact O-N 3.43Å; I20-N24 PolarHBondContact O-ND2 3.29Å; A21-N24 PolarHBondContact O-N 2.97Å; A21-N24 VanDerWaalsContact O-N 3.15Å; C22-N24 VanDerWaalsContact C-N 3.3Å; C22-N24 PolarHBondContact O-N 3.02Å; N24-I26 VanDerWaalsContact C-N 3.33Å; N24-I26 PolarHBondContact O-N 3.25Å; N24-N27 PolarHBondContact O-N 3.31Å; N24-H28 VanDerWaalsContact O-CB 3.32Å; N24-H28 WeakPolarHBondContact O-CB 3.28Å; N24-H28 PolarHBondContact O-CD2 3.23Å; N24-H28 PolarHBondContact O-N 3.25Å
25I97.4Very high95Very high3 Ų356 Ų562%0.01528%0.28CS..Hα-helixtrans-57.8-49.3173.7-66.1166000109.9A21 C22 N27 L29 A30 A71 A73 I76 V100A21-I25 WeakPolarHBondContact O-CG1 3.21Å; A21-I25 PolarHBondContact O-N 3.37Å; C22-I25 PolarHBondContact O-N 2.87Å; I25-N27 PolarHBondContact O-N 3.49Å; I25-L29 HydrophobicContact CB-CD1 4.44Å; I25-L29 HydrophobicContact CG1-CD1 4.32Å; I25-L29 HydrophobicContact CG2-CB 4.38Å; I25-L29 HydrophobicContact CG2-CD1 4.09Å; I25-L29 WeakPolarHBondContact O-CA 3.19Å; I25-L29 VanDerWaalsContact O-CB 3.26Å; I25-L29 WeakPolarHBondContact O-CB 3.49Å; I25-L29 PolarHBondContact O-N 3.14Å; I25-A30 PolarHBondContact O-N 3.37Å; I25-A71 HydrophobicContact CD1-CB 4.49Å; I25-A71 HydrophobicContact CG2-CB 4Å; I25-A73 HydrophobicContact CD1-CB 4.24Å; I25-I76 HydrophobicContact CD1-CD1 3.52Å; I25-I76 HydrophobicContact CG1-CD1 3.59Å; I25-V100 HydrophobicContact CG2-CB 3.65Å; I25-V100 HydrophobicContact CG2-CG1 3.88Å; I25-V100 HydrophobicContact CG2-CG2 4.15Å
26I97.5Very high94.9Very high1 Ų161.2 Ų61.21%0.00530%0.296CS..Iπ-helixtrans-61.9-47.1179.7-66.2169.8000111C22 K23 N24 A30 F31 V100 F124 A128C22-I26 WeakPolarHBondContact O-CG1 3.25Å; C22-I26 PolarHBondContact O-N 3.24Å; K23-I26 PolarHBondContact O-N 3.18Å; N24-I26 VanDerWaalsContact C-N 3.33Å; N24-I26 PolarHBondContact O-N 3.25Å; I26-A30 WeakPolarHBondContact O-CB 3.49Å; I26-A30 PolarHBondContact O-N 2.82Å; I26-F31 HydrophobicContact CG2-CD2 3.84Å; I26-F31 HydrophobicContact CG2-CE2 4.12Å; I26-F31 WeakPolarHBondContact O-CD2 3.28Å; I26-F31 PolarHBondContact O-N 3.19Å; I26-V100 HydrophobicContact CG1-CG1 3.85Å; I26-F124 HydrophobicContact CD1-CB 3.91Å; I26-A128 HydrophobicContact CG2-CB 3.57Å
27N96.2Very high94.8Very high20 Ų2054.4 Ų54.411%0.10727%0.269CS..Iπ-helixtrans-76.1-24.3-174.8-82.3-77.9000114.9K23 N24 I25 F31 K33K23-N27 WeakPolarHBondContact CG-ND2 3.17Å; K23-N27 WeakPolarHBondContact O-CB 3.35Å; K23-N27 PolarHBondContact O-N 3.15Å; K23-N27 PolarHBondContact O-ND2 2.84Å; N24-N27 PolarHBondContact O-N 3.31Å; I25-N27 PolarHBondContact O-N 3.49Å; N27-F31 CarbonylContact O-C 3.48Å; N27-K33 PolarHBondContact OD1-NZ 3.3Å; N27-K33 VanDerWaalsContact OD1-NZ 3.16Å
28H94.9Very high94.7Very high113 Ų11352.4 Ų52.452%0.52325%0.253SS..Iπ-helixtrans-118.4-25.3-171.5-61.2-59.9000114N24N24-H28 VanDerWaalsContact O-CB 3.32Å; N24-H28 WeakPolarHBondContact O-CB 3.28Å; N24-H28 PolarHBondContact O-CD2 3.23Å; N24-H28 PolarHBondContact O-N 3.25Å
29L94.3Very high94.5Very high13 Ų1355 Ų557%0.06827%0.269CS..Iπ-helixtrans-103.2-48.6177-49.6-176.5000110.4I25 K41 L44 A71 I76 F78I25-L29 HydrophobicContact CB-CD1 4.44Å; I25-L29 HydrophobicContact CG1-CD1 4.32Å; I25-L29 HydrophobicContact CG2-CB 4.38Å; I25-L29 HydrophobicContact CG2-CD1 4.09Å; I25-L29 WeakPolarHBondContact O-CA 3.19Å; I25-L29 VanDerWaalsContact O-CB 3.26Å; I25-L29 WeakPolarHBondContact O-CB 3.49Å; I25-L29 PolarHBondContact O-N 3.14Å; L29-K41 WeakPolarHBondContact O-CD 3.08Å; L29-K41 WeakPolarHBondContact O-CE 3.21Å; L29-K41 PolarHBondContact O-NZ 2.8Å; L29-L44 HydrophobicContact CB-CD1 4.26Å; L29-L44 HydrophobicContact CD2-CD1 4.13Å; L29-A71 HydrophobicContact CD1-CB 4.38Å; L29-I76 HydrophobicContact CD1-CG2 4.5Å; L29-F78 HydrophobicContact CD1-CE1 3.85Å; L29-F78 HydrophobicContact CD1-CZ 3.74Å
30A93.9Very high94.4Very high2 Ų256.4 Ų56.42%0.01728%0.276CS..Iπ-helixtrans-73.4-51.1179.100000112.7I25 I26 P32 K41 T102I25-A30 PolarHBondContact O-N 3.37Å; I26-A30 WeakPolarHBondContact O-CB 3.49Å; I26-A30 PolarHBondContact O-N 2.82Å; A30-P32 VanDerWaalsContact O-CD 3.25Å; A30-P32 WeakPolarHBondContact O-CD 3.35Å; A30-K41 PolarHBondContact O-NZ 3.11Å; A30-T102 VanDerWaalsContact CA-O 3.28Å; A30-T102 WeakPolarHBondContact CA-O 3.44Å
31F95Very high94.1Very high22 Ų2255 Ų5510%0.09627%0.267CS..SBendtrans-12262.2-175.3-59.6-72.1000112.7I26 N27 H125 A128 C129 Y132I26-F31 HydrophobicContact CG2-CD2 3.84Å; I26-F31 HydrophobicContact CG2-CE2 4.12Å; I26-F31 WeakPolarHBondContact O-CD2 3.28Å; I26-F31 PolarHBondContact O-N 3.19Å; N27-F31 CarbonylContact O-C 3.48Å; F31-H125 AromaticContact CE2-CD2 3.92Å; F31-H125 AromaticContact CE2-NE2 3.91Å; F31-H125 AromaticContact CZ-NE2 3.73Å; F31-A128 HydrophobicContact CB-CB 4.26Å; F31-A128 HydrophobicContact CD2-CB 3.74Å; F31-A128 HydrophobicContact CG-CB 4.3Å; F31-C129 HydrophobicContact CE1-CB 4.45Å; F31-C129 HydrophobicContact CZ-CB 4.31Å; F31-Y132 HydrophobicContact CB-CD2 4.01Å; F31-Y132 HydrophobicContact CB-CG 4.1Å; F31-Y132 HydrophobicContact CD1-CD1 4.13Å; F31-Y132 HydrophobicContact CD1-CD2 4.48Å; F31-Y132 HydrophobicContact CD1-CG 4.04Å
32P94.6Very high93.7Very high2 Ų259.3 Ų59.31%0.01329%0.291CS..  trans-62.2148.3179.927.4-34.8000111.9A30 F38 K41 Y132A30-P32 VanDerWaalsContact O-CD 3.25Å; A30-P32 WeakPolarHBondContact O-CD 3.35Å; P32-F38 HydrophobicContact CG-CD1 3.78Å; P32-F38 HydrophobicContact CG-CE1 3.73Å; P32-F38 HydrophobicContact CG-CG 4.42Å; P32-F38 HydrophobicContact CG-CZ 4.32Å; P32-F38 WeakPolarHBondContact O-CZ 3.48Å; P32-K41 HydrophobicContact CG-CB 4.4Å; P32-K41 HydrophobicContact CG-CD 3.97Å; P32-Y132 VanDerWaalsContact O-CD2 3.25Å; P32-Y132 WeakPolarHBondContact O-CD2 3.38Å; P32-Y132 WeakPolarHBondContact O-CE2 3.44Å
33K90.3Very high93.3Very high66 Ų6663.5 Ų63.529%0.28732%0.316SS..  trans-121.57.9-172.4-64.4174.8-164.8160.50113.4N27 T131 Q135N27-K33 PolarHBondContact OD1-NZ 3.3Å; N27-K33 VanDerWaalsContact OD1-NZ 3.16Å; K33-T131 HydrophobicContact CD-CG2 3.99Å; K33-Q135 VanDerWaalsContact CG-OE1 3.31Å; K33-Q135 PolarHBondContact O-NE2 3.12Å; K33-Q135 PolarHBondContact O-OE1 3.4Å
34S90.9Very high93Very high63 Ų6359.9 Ų59.944%0.44130%0.302SS..SBendtrans-139.8152.5-176.867.70000109.8R36 G37 F38S34-R36 PolarHBondContact O-N 3.33Å; S34-G37 CarbonylContact O-C 3.53Å; S34-G37 WeakPolarHBondContact O-CA 3.34Å; S34-G37 PolarHBondContact O-N 3.33Å; S34-G37 PolarHBondContact OG-N 2.89Å; S34-G37 VanDerWaalsContact OG-N 3.11Å; S34-F38 WeakPolarHBondContact O-CD2 3.26Å; S34-F38 PolarHBondContact O-N 2.73Å
35Q91.4Very high92.6Very high147 Ų14758.5 Ų58.569%0.68730%0.297SS*.Hα-helixtrans-52.6-43.3176.5-172.96123.500111.5G37 F38 T39Q35-G37 VanDerWaalsContact C-N 3.32Å; Q35-G37 PolarHBondContact O-N 3.41Å; Q35-F38 PolarHBondContact O-N 2.93Å; Q35-T39 PolarHBondContact O-N 3.18Å; Q35-T39 PolarHBondContact O-OG1 3.15Å
36R92.8Very high92.3Very high216 Ų21658.7 Ų58.782%0.81530%0.298SS*.Hα-helixtrans-59.5-41.3174.4-175.9178.1178.1-177.90.4112.3S34 H40S34-R36 PolarHBondContact O-N 3.33Å; R36-H40 WeakPolarHBondContact O-CB 3.45Å; R36-H40 PolarHBondContact O-N 2.92Å
37G92.6Very high92Very high12 Ų1261.4 Ų61.412%0.12432%0.315CS..Hα-helixtrans-63.2-41.3175.300000112.5S34 Q35 H40 K41S34-G37 CarbonylContact O-C 3.53Å; S34-G37 WeakPolarHBondContact O-CA 3.34Å; S34-G37 PolarHBondContact O-N 3.33Å; S34-G37 PolarHBondContact OG-N 2.89Å; S34-G37 VanDerWaalsContact OG-N 3.11Å; Q35-G37 VanDerWaalsContact C-N 3.32Å; Q35-G37 PolarHBondContact O-N 3.41Å; G37-H40 PolarHBondContact O-N 2.73Å; G37-K41 WeakPolarHBondContact O-CB 3.27Å; G37-K41 PolarHBondContact O-N 2.79Å
38F91.7Very high91.6Very high53 Ų5362.6 Ų62.623%0.23232%0.321CS..Hα-helixtrans-63.5-48.9174.9-70.6-67.2000111.9P32 S34 Q35 H40 K41 T42 Y132 F136P32-F38 HydrophobicContact CG-CD1 3.78Å; P32-F38 HydrophobicContact CG-CE1 3.73Å; P32-F38 HydrophobicContact CG-CG 4.42Å; P32-F38 HydrophobicContact CG-CZ 4.32Å; P32-F38 WeakPolarHBondContact O-CZ 3.48Å; S34-F38 WeakPolarHBondContact O-CD2 3.26Å; S34-F38 PolarHBondContact O-N 2.73Å; Q35-F38 PolarHBondContact O-N 2.93Å; F38-H40 VanDerWaalsContact C-N 3.29Å; F38-H40 PolarHBondContact O-N 2.79Å; F38-K41 WeakPolarHBondContact O-CB 3.25Å; F38-K41 PolarHBondContact O-N 3.37Å; F38-K41 VanDerWaalsContact O-N 3.14Å; F38-T42 WeakPolarHBondContact O-CG2 3.26Å; F38-T42 PolarHBondContact O-N 3.31Å; F38-Y132 HydrophobicContact CE1-CE2 4.02Å; F38-Y132 AromaticContact CZ-CE2 3.87Å; F38-Y132 HydrophobicContact CZ-CE2 3.87Å; F38-F136 AromaticContact CE2-CZ 3.87Å; F38-F136 HydrophobicContact CE2-CZ 3.87Å; F38-F136 AromaticContact CZ-CE2 3.94Å; F38-F136 HydrophobicContact CZ-CE2 3.94Å; F38-F136 AromaticContact CZ-CZ 3.49Å; F38-F136 HydrophobicContact CZ-CZ 3.49Å; F38-F136 VanDerWaalsContact CZ-CZ 3.49Å
39T92.4Very high91.2Very high76 Ų7658 Ų5847%0.46630%0.302SS..Hα-helixtrans-58.7-43175.8-55.90000111.2Q35 K41 T42 T43Q35-T39 PolarHBondContact O-N 3.18Å; Q35-T39 PolarHBondContact O-OG1 3.15Å; T39-K41 PolarHBondContact O-N 3.23Å; T39-T42 PolarHBondContact O-N 3.1Å; T39-T42 PolarHBondContact O-OG1 2.07Å; T39-T43 WeakPolarHBondContact O-CG2 3.44Å; T39-T43 PolarHBondContact O-N 3.13Å
40H92.2Very high90.8Very high88 Ų8864.9 Ų64.941%0.40733%0.331SS..Hα-helixtrans-61.8-45175.4-177.9-129.6000111.8R36 G37 F38 T42 T43 L44R36-H40 WeakPolarHBondContact O-CB 3.45Å; R36-H40 PolarHBondContact O-N 2.92Å; G37-H40 PolarHBondContact O-N 2.73Å; F38-H40 VanDerWaalsContact C-N 3.29Å; F38-H40 PolarHBondContact O-N 2.79Å; H40-T42 VanDerWaalsContact C-N 3.27Å; H40-T42 PolarHBondContact O-N 3.38Å; H40-T43 PolarHBondContact O-N 2.76Å; H40-T43 PolarHBondContact O-OG1 2.71Å; H40-L44 WeakPolarHBondContact O-CG 3.38Å; H40-L44 PolarHBondContact O-N 3.4Å
41K91Very high90.3Very high59 Ų5969.6 Ų69.626%0.25736%0.36SS..Hα-helixtrans-56.6-41176.7-171177.3-171.8170.70111.9L29 A30 P32 G37 F38 T39 T43 L44 T102L29-K41 WeakPolarHBondContact O-CD 3.08Å; L29-K41 WeakPolarHBondContact O-CE 3.21Å; L29-K41 PolarHBondContact O-NZ 2.8Å; A30-K41 PolarHBondContact O-NZ 3.11Å; P32-K41 HydrophobicContact CG-CB 4.4Å; P32-K41 HydrophobicContact CG-CD 3.97Å; G37-K41 WeakPolarHBondContact O-CB 3.27Å; G37-K41 PolarHBondContact O-N 2.79Å; F38-K41 WeakPolarHBondContact O-CB 3.25Å; F38-K41 PolarHBondContact O-N 3.37Å; F38-K41 VanDerWaalsContact O-N 3.14Å; T39-K41 PolarHBondContact O-N 3.23Å; K41-T43 PolarHBondContact O-N 2.93Å; K41-L44 HydrophobicContact CG-CD1 4.45Å; K41-L44 WeakPolarHBondContact O-CB 3.49Å; K41-L44 WeakPolarHBondContact O-CG 3.22Å; K41-L44 PolarHBondContact O-N 2.82Å; K41-T102 WeakPolarHBondContact CE-O 3.32Å; K41-T102 PolarHBondContact NZ-O 2.77Å
42T87Confident89.6Confident116 Ų11675.1 Ų75.171%0.71238%0.38SS*.Hα-helixtrans-67.1-18.5177.457.30000114.2F38 T39 H40F38-T42 WeakPolarHBondContact O-CG2 3.26Å; F38-T42 PolarHBondContact O-N 3.31Å; T39-T42 PolarHBondContact O-N 3.1Å; T39-T42 PolarHBondContact O-OG1 2.07Å; H40-T42 VanDerWaalsContact C-N 3.27Å; H40-T42 PolarHBondContact O-N 3.38Å
43T89.5Confident88.5Confident87 Ų8777.7 Ų77.753%0.53441%0.407SS..Hα-helixtrans-90.4-8.6177.3630000113.5T39 H40 K41T39-T43 WeakPolarHBondContact O-CG2 3.44Å; T39-T43 PolarHBondContact O-N 3.13Å; H40-T43 PolarHBondContact O-N 2.76Å; H40-T43 PolarHBondContact O-OG1 2.71Å; K41-T43 PolarHBondContact O-N 2.93Å
44L90.7Very high87.2Confident25 Ų2577.8 Ų77.813%0.13141%0.409CS..  trans-71.3132.7-179.9-55.7-179.5000109.9L29 H40 K41 L69 F78L29-L44 HydrophobicContact CB-CD1 4.26Å; L29-L44 HydrophobicContact CD2-CD1 4.13Å; H40-L44 WeakPolarHBondContact O-CG 3.38Å; H40-L44 PolarHBondContact O-N 3.4Å; K41-L44 HydrophobicContact CG-CD1 4.45Å; K41-L44 WeakPolarHBondContact O-CB 3.49Å; K41-L44 WeakPolarHBondContact O-CG 3.22Å; K41-L44 PolarHBondContact O-N 2.82Å; L44-L69 HydrophobicContact CB-CD2 3.66Å; L44-F78 HydrophobicContact CD1-CE1 3.93Å; L44-F78 HydrophobicContact CD1-CZ 4.24Å; L44-F78 HydrophobicContact CD2-CE1 4Å; L44-F78 HydrophobicContact CD2-CE2 3.94Å; L44-F78 HydrophobicContact CD2-CZ 3.59Å; L44-F78 HydrophobicContact CG-CE1 4.37Å; L44-F78 HydrophobicContact CG-CZ 4.43Å
45C89.3Confident85.5Confident44 Ų4480.3 Ų80.330%0.29742%0.417SS..  trans-151161178.852.40000109.9T47 F78C45-T47 PolarHBondContact O-N 3.46Å; C45-F78 VanDerWaalsContact O-CB 3.27Å; C45-F78 WeakPolarHBondContact O-CB 3.09Å
46C91.1Very high83.6Confident7 Ų780.7 Ų80.75%0.04742%0.417CS..  trans-66.5130.4173.81730000110.1L48 C49 K50 L69 C80 H85C46-L48 VanDerWaalsContact C-N 3.31Å; C46-L48 PolarHBondContact O-N 2.87Å; C46-C49 HydrophobicContact CB-CB 3.98Å; C46-C49 PolarHBondContact O-N 3.14Å; C46-K50 WeakPolarHBondContact O-CB 3.42Å; C46-K50 PolarHBondContact O-N 2.88Å; C46-L69 HydrophobicContact CB-CD1 4.05Å; C46-C80 HydrophobicContact CB-CB 3.93Å; C46-C80 PolarHBondContact SG-N 3.14Å; C46-C80 VanDerWaalsContact SG-N 3.39Å; C46-H85 PolarHBondContact SG-ND1 2.88Å; C46-H85 VanDerWaalsContact SG-ND1 3.37Å
47T90.7Very high81.6Confident59 Ų5977 Ų7736%0.36241%0.413SS..Hα-helixtrans-57.2-44.8-179-500000111.8C45 T51 H77 F78C45-T47 PolarHBondContact O-N 3.46Å; T47-T51 WeakPolarHBondContact O-CG2 3.2Å; T47-T51 PolarHBondContact O-N 3.02Å; T47-T51 PolarHBondContact O-OG1 3.49Å; T47-H77 VanDerWaalsContact CB-CE1 3.49Å; T47-H77 WeakPolarHBondContact CB-CE1 3.28Å; T47-H77 PolarHBondContact OG1-CE1 3.46Å; T47-F78 PolarHBondContact N-O 2.84Å; T47-F78 PolarHBondContact OG1-O 3.37Å
48L88.4Confident79.6Confident44 Ų4481.9 Ų81.923%0.2344%0.44CS..Hα-helixtrans-74.9-39.3-178-70.3177.1000113.2C46 K50 T51 R52 H85 L88C46-L48 VanDerWaalsContact C-N 3.31Å; C46-L48 PolarHBondContact O-N 2.87Å; L48-K50 VanDerWaalsContact C-N 3.25Å; L48-K50 PolarHBondContact O-N 3.02Å; L48-T51 WeakPolarHBondContact CA-OG1 3.25Å; L48-T51 PolarHBondContact O-N 3.34Å; L48-T51 PolarHBondContact O-OG1 3.16Å; L48-R52 WeakPolarHBondContact O-CB 3.21Å; L48-R52 WeakPolarHBondContact O-CG 2.83Å; L48-R52 PolarHBondContact O-N 3.16Å; L48-H85 HydrophobicContact CB-CB 4.47Å; L48-H85 HydrophobicContact CD1-CB 4.01Å; L48-L88 HydrophobicContact CD1-CB 4.28Å; L48-L88 HydrophobicContact CD1-CD1 3.72Å
49C85.9Confident77.4Confident18 Ų1881.7 Ų81.712%0.12245%0.445CS..Hα-helixtrans-61.7-39.6174.9-63.20000110.9C46 T51 G53 E54 C80 H85C46-C49 HydrophobicContact CB-CB 3.98Å; C46-C49 PolarHBondContact O-N 3.14Å; C49-T51 PolarHBondContact O-N 2.96Å; C49-G53 PolarHBondContact O-N 2.86Å; C49-E54 PolarHBondContact O-N 3.4Å; C49-C80 VanDerWaalsContact SG-SG 3.68Å; C49-H85 PolarHBondContact SG-CE1 3.49Å; C49-H85 PolarHBondContact SG-ND1 2.75Å
50K84.9Confident75.3Confident157 Ų15782.7 Ų82.768%0.68345%0.448SS*.Hα-helixtrans-62.4-39.9176.7-172.1-178.8-176.6176.40112.5C46 L48C46-K50 WeakPolarHBondContact O-CB 3.42Å; C46-K50 PolarHBondContact O-N 2.88Å; L48-K50 VanDerWaalsContact C-N 3.25Å; L48-K50 PolarHBondContact O-N 3.02Å
51T85Confident73.3Confident101 Ų10187.7 Ų87.762%0.6247%0.468SS*.Hα-helixtrans-79.2-35.8-178.253.80000113.1T47 L48 C49 G53T47-T51 WeakPolarHBondContact O-CG2 3.2Å; T47-T51 PolarHBondContact O-N 3.02Å; T47-T51 PolarHBondContact O-OG1 3.49Å; L48-T51 WeakPolarHBondContact CA-OG1 3.25Å; L48-T51 PolarHBondContact O-N 3.34Å; L48-T51 PolarHBondContact O-OG1 3.16Å; C49-T51 PolarHBondContact O-N 2.96Å; T51-G53 VanDerWaalsContact C-N 3.25Å; T51-G53 PolarHBondContact O-N 2.85Å
52R80.4Confident71.5Confident138 Ų13892.2 Ų92.252%0.52150%0.495SS..Hα-helixtrans-78.9-7.8-178.9-67.4-178.1176.9173.51.1113.8L48 E54 H85L48-R52 WeakPolarHBondContact O-CB 3.21Å; L48-R52 WeakPolarHBondContact O-CG 2.83Å; L48-R52 PolarHBondContact O-N 3.16Å; R52-E54 HydrophobicContact CB-CG 3.81Å; R52-E54 WeakPolarHBondContact CD-OE1 3.47Å; R52-E54 IonicContact NH1-OE1 3.29Å; R52-E54 PolarHBondContact O-N 2.66Å; R52-H85 PolarHBondContact NH1-NE2 3.26Å
53G69.8Low69.8Low56 Ų5690.4 Ų90.458%0.57748%0.481SS*.THydrogen-bonded Turntrans60.225-172.600000111.7C49 T51 D55C49-G53 PolarHBondContact O-N 2.86Å; T51-G53 VanDerWaalsContact C-N 3.25Å; T51-G53 PolarHBondContact O-N 2.85Å; G53-D55 VanDerWaalsContact C-N 3.31Å; G53-D55 PolarHBondContact O-N 3.21Å
54E64.1Low68Low68 Ų6894.5 Ų94.532%0.31850%0.498SS..  trans-6798.8172.1-74170.4-172.200106.1C49 R52 F56 H85C49-E54 PolarHBondContact O-N 3.4Å; R52-E54 HydrophobicContact CB-CG 3.81Å; R52-E54 WeakPolarHBondContact CD-OE1 3.47Å; R52-E54 IonicContact NH1-OE1 3.29Å; R52-E54 PolarHBondContact O-N 2.66Å; E54-F56 PolarHBondContact O-N 3.26Å; E54-H85 IonicContact OE2-CE1 3.58Å; E54-H85 PolarHBondContact OE2-CE1 2.98Å; E54-H85 VanDerWaalsContact OE2-CE1 3.29Å; E54-H85 IonicContact OE2-NE2 3.18Å
55D54.7Low66.1Low115 Ų115100.9 Ų100.962%0.61552%0.52SS*.  trans-54.7127.6-172.6-91.5-31.7000110.5G53 D57 V58G53-D55 VanDerWaalsContact C-N 3.31Å; G53-D55 PolarHBondContact O-N 3.21Å; D55-D57 PolarHBondContact O-N 3.23Å; D55-V58 HydrophobicContact CB-CB 4.46Å; D55-V58 HydrophobicContact CB-CG2 3.65Å; D55-V58 PolarHBondContact O-N 3.35Å
56F52.3Low64.5Low156 Ų156103.3 Ų103.368%0.68454%0.535SS*.THydrogen-bonded Turntrans-55.7-27.4177.6-155.2-98.5000111.3E54 R67E54-F56 PolarHBondContact O-N 3.26Å; F56-R67 PolarHBondContact O-NH1 3.07Å; F56-R67 PolarHBondContact O-NH2 2.66Å
57D50.9Low63.5Low137 Ų137105.3 Ų105.373%0.73354%0.542SS*.THydrogen-bonded Turntrans-92.8-21.2-170.5-134-3.7000114.6D55 C59D55-D57 PolarHBondContact O-N 3.23Å; D57-C59 PolarHBondContact O-N 2.96Å
58V49.4Very low63.3Low116 Ų116102.6 Ų102.670%0.70353%0.525SS*.THydrogen-bonded Turntrans-76.7-22.9-164.8-177.80000113.2D55D55-V58 HydrophobicContact CB-CB 4.46Å; D55-V58 HydrophobicContact CB-CG2 3.65Å; D55-V58 PolarHBondContact O-N 3.35Å
59C46.1Very low63.5Low49 Ų49101.3 Ų101.333%0.33152%0.518SS..THydrogen-bonded Turntrans-106.111.5-168.3-149.40000115.4D57 Y83D57-C59 PolarHBondContact O-N 2.96Å; C59-Y83 WeakPolarHBondContact CB-OH 3.46Å; C59-Y83 PolarHBondContact SG-OH 2.67Å; C59-Y83 VanDerWaalsContact SG-OH 3.34Å
60N47.4Very low64Low97 Ų97100.4 Ų100.452%0.51951%0.512SS..  trans-88.8-5.3-172.6-155.519.4000114.7
61K50Low64.6Low193 Ų19393 Ų9384%0.83948%0.48SS*.SBendtrans-74.9-29.6-172-70.6-173.5178.4179.30114
62D53.1Low65.2Low153 Ų15388.1 Ų88.182%0.81845%0.45SS*.SBendtrans-118-5.6-171.1-58.7-41.8000114.5I64D62-I64 PolarHBondContact O-N 3.3Å
63L51.3Low66Low78 Ų7881.6 Ų81.641%0.40843%0.426SS..  trans-84.7104.6-178.5-67.1176.1000110.6R65L63-R65 PolarHBondContact O-N 3.29Å; L63-R65 VanDerWaalsContact O-N 3.15Å
64I52.4Low67.3Low174 Ų17481.6 Ų81.689%0.89241%0.41SS*.  trans-59.1-20.3172.3-62.9168.2000111.9D62D62-I64 PolarHBondContact O-N 3.3Å
65R51.3Low68.8Low158 Ų15881.2 Ų81.260%0.59642%0.415SS*.SBendtrans-93.8134.7-176.9-66.9-171.1-175.7-164.63.4110.9L63 R67L63-R65 PolarHBondContact O-N 3.29Å; L63-R65 VanDerWaalsContact O-N 3.15Å; R65-R67 PolarHBondContact O-N 3Å
66P56.2Low70.7Confident95 Ų9579.3 Ų79.362%0.61740%0.404SS*.PPolyproline II helixtrans-59.5131168.6-1.610.1000108.5C68P66-C68 PolarHBondContact O-N 3.43Å
67R68.5Low72.7Confident49 Ų4974.4 Ų74.419%0.18538%0.383CS..PPolyproline II helixtrans-54.7133.6173-68.2-175.6175.3-175.44.5109.7F56 R65 D82F56-R67 PolarHBondContact O-NH1 3.07Å; F56-R67 PolarHBondContact O-NH2 2.66Å; R65-R67 PolarHBondContact O-N 3Å; R67-D82 VanDerWaalsContact CA-OD2 3.26Å; R67-D82 WeakPolarHBondContact CA-OD2 3.46Å
68C86.4Confident74.9Confident2 Ų269.4 Ų69.41%0.01436%0.355CS..  trans-121.3111.1178.9174.60000109.1P66 L70 W81 D82 C101P66-C68 PolarHBondContact O-N 3.43Å; C68-L70 WeakPolarHBondContact SG-CD2 3.39Å; C68-W81 HydrophobicContact CB-CB 4.26Å; C68-W81 WeakPolarHBondContact O-CB 3.24Å; C68-W81 PolarHBondContact O-N 3.28Å; C68-D82 PolarHBondContact N-OD2 3.49Å; C68-D82 VanDerWaalsContact N-OD2 3.16Å; C68-C101 WeakPolarHBondContact CB-SG 3.41Å; C68-C101 WeakPolarHBondContact SG-CB 3.44Å; C68-C101 CovalentContact SG-SG 2.07Å; C68-C101 PolarHBondContact SG-SG 3.39Å
69L93.3Very high77Confident17 Ų1763.9 Ų63.99%0.08932%0.322CS..EExtended strand (participates in β ladder)trans-81.6119.6167.8-176.567.3000108.7L44 C46 F78 T102 E103L44-L69 HydrophobicContact CB-CD2 3.66Å; C46-L69 HydrophobicContact CB-CD1 4.05Å; L69-F78 HydrophobicContact CD1-CB 4.21Å; L69-F78 HydrophobicContact CD2-CD1 4.16Å; L69-F78 HydrophobicContact CG-CD1 4.36Å; L69-T102 WeakPolarHBondContact O-CG2 3.44Å; L69-T102 PolarHBondContact O-N 3.14Å; L69-T102 PolarHBondContact O-OG1 2.88Å; L69-T102 VanDerWaalsContact O-OG1 3.14Å; L69-E103 WeakPolarHBondContact CB-OE1 3.43Å; L69-E103 PolarHBondContact N-OE1 2.84Å; L69-E103 PolarHBondContact N-OE2 2.87Å; L69-E103 VanDerWaalsContact N-OE2 3.14Å
70L96.1Very high79.1Confident0 Ų062.1 Ų62.10%031%0.309CS..EExtended strand (participates in β ladder)trans-98.4133.2178.1-63.7173.9000109.7C68 F78 A79 W81 I86 V100 C101 F108 F115C68-L70 WeakPolarHBondContact SG-CD2 3.39Å; L70-F78 WeakPolarHBondContact O-CA 3.28Å; L70-A79 WeakPolarHBondContact CA-O 3.35Å; L70-A79 WeakPolarHBondContact CB-O 3.33Å; L70-A79 PolarHBondContact N-O 3.38Å; L70-A79 PolarHBondContact O-N 3.18Å; L70-W81 HydrophobicContact CD1-CB 3.78Å; L70-W81 HydrophobicContact CD1-CG 4.24Å; L70-W81 HydrophobicContact CG-CB 4.18Å; L70-I86 HydrophobicContact CB-CD1 4.39Å; L70-I86 HydrophobicContact CB-CG1 4.5Å; L70-I86 HydrophobicContact CD1-CB 3.96Å; L70-I86 HydrophobicContact CD1-CG1 3.83Å; L70-I86 HydrophobicContact CD1-CG2 3.88Å; L70-V100 WeakPolarHBondContact CA-O 3.47Å; L70-C101 HydrophobicContact CD2-CB 3.97Å; L70-F108 HydrophobicContact CD1-CB 4.19Å; L70-F108 HydrophobicContact CD1-CD1 3.56Å; L70-F108 HydrophobicContact CD1-CE1 4.06Å; L70-F108 HydrophobicContact CD1-CG 3.86Å; L70-F108 HydrophobicContact CD2-CB 3.81Å; L70-F108 HydrophobicContact CD2-CG 4.31Å; L70-F115 HydrophobicContact CD2-CE1 4.27Å; L70-F115 HydrophobicContact CD2-CZ 4.42Å
71A97.7Very high81.1Confident0 Ų060 Ų600%029%0.294CS..EExtended strand (participates in β ladder)trans-101.8119.3168.200000109I25 L29 A73 H77 F78 S99 V100 T102I25-A71 HydrophobicContact CD1-CB 4.49Å; I25-A71 HydrophobicContact CG2-CB 4Å; L29-A71 HydrophobicContact CD1-CB 4.38Å; A71-A73 PolarHBondContact O-N 3.4Å; A71-H77 WeakPolarHBondContact CA-O 3.5Å; A71-F78 HydrophobicContact CB-CD1 3.9Å; A71-F78 HydrophobicContact CB-CE1 3.65Å; A71-S99 CarbonylContact O-C 3.55Å; A71-S99 WeakPolarHBondContact O-CA 3.26Å; A71-S99 WeakPolarHBondContact O-CB 3.41Å; A71-V100 PolarHBondContact N-O 3.31Å; A71-V100 PolarHBondContact O-N 3.23Å; A71-T102 HydrophobicContact CB-CG2 3.94Å
72C98Very high82.7Confident0 Ų052.5 Ų52.50%026%0.263CS..EExtended strand (participates in β ladder)trans-59.1125.6175.5179.20000110H74 C75 I76 H77 H89 S99C72-H74 PolarHBondContact O-N 2.9Å; C72-H74 PolarHBondContact SG-N 3.11Å; C72-C75 VanDerWaalsContact SG-SG 3.7Å; C72-I76 VanDerWaalsContact O-CA 3.26Å; C72-I76 WeakPolarHBondContact O-CA 3.49Å; C72-I76 PolarHBondContact O-N 2.95Å; C72-H77 HydrophobicContact CB-CB 4.12Å; C72-H77 PolarHBondContact N-O 3.19Å; C72-H89 PolarHBondContact SG-NE2 3.48Å; C72-S99 WeakPolarHBondContact CA-OG 3.45Å
73A97.4Very high84.2Confident0 Ų049.1 Ų49.10%024%0.24CC..THydrogen-bonded Turntrans-74.6-14.4-176.700000112.7F12 A21 I25 A71 L98F12-A73 HydrophobicContact CE1-CB 4.12Å; F12-A73 HydrophobicContact CE2-CB 3.97Å; F12-A73 HydrophobicContact CZ-CB 3.38Å; A21-A73 WeakPolarHBondContact CB-O 3.44Å; I25-A73 HydrophobicContact CD1-CB 4.24Å; A71-A73 PolarHBondContact O-N 3.4Å; A73-L98 HydrophobicContact CB-CB 4.26Å; A73-L98 WeakPolarHBondContact CB-O 3.43Å; A73-L98 PolarHBondContact N-O 2.89Å
74H96.5Very high86Confident56 Ų5654 Ų5426%0.25925%0.253SS..THydrogen-bonded Turntrans-86.7-38.2178.8-59.9-110.5000112.5F12 C72 D95 H96 Y97 L98F12-H74 AromaticContact CD2-CE1 3.36Å; F12-H74 WeakPolarHBondContact CD2-CE1 3.42Å; F12-H74 AromaticContact CD2-ND1 3.99Å; F12-H74 AromaticContact CD2-NE2 3.34Å; F12-H74 VanDerWaalsContact CD2-NE2 3.34Å; F12-H74 WeakPolarHBondContact CD2-NE2 3.33Å; F12-H74 AromaticContact CE2-CD2 3.62Å; F12-H74 AromaticContact CE2-CE1 3.62Å; F12-H74 AromaticContact CE2-CG 3.86Å; F12-H74 AromaticContact CE2-ND1 3.84Å; F12-H74 AromaticContact CE2-NE2 3.45Å; F12-H74 WeakPolarHBondContact CE2-NE2 3.33Å; C72-H74 PolarHBondContact O-N 2.9Å; C72-H74 PolarHBondContact SG-N 3.11Å; H74-D95 PolarHBondContact CE1-O 3.15Å; H74-H96 HydrophobicContact CB-CB 4.41Å; H74-H96 AromaticContact CG-CD2 3.72Å; H74-H96 AromaticContact CG-CG 3.89Å; H74-H96 AromaticContact ND1-CD2 3.84Å; H74-Y97 PolarHBondContact NE2-N 2.86Å; H74-L98 PolarHBondContact NE2-N 3.08Å
75C95.8Very high87.9Confident60 Ų6046 Ų4641%0.40521%0.211SC..THydrogen-bonded Turntrans-1384.2-171.268.50000115.7C72 H77 H89C72-C75 VanDerWaalsContact SG-SG 3.7Å; C75-H77 PolarHBondContact O-N 2.79Å; C75-H77 VanDerWaalsContact SG-CB 3.52Å; C75-H89 VanDerWaalsContact SG-CE1 3.56Å
76I93.9Very high89.9Confident76 Ų7638.4 Ų38.439%0.3918%0.183SC..  trans61.720.6-178.8-41.7-60.7000112.9I25 L29 C72 F78I25-I76 HydrophobicContact CD1-CD1 3.52Å; I25-I76 HydrophobicContact CG1-CD1 3.59Å; L29-I76 HydrophobicContact CD1-CG2 4.5Å; C72-I76 VanDerWaalsContact O-CA 3.26Å; C72-I76 WeakPolarHBondContact O-CA 3.49Å; C72-I76 PolarHBondContact O-N 2.95Å; I76-F78 HydrophobicContact CG2-CE2 4.08Å; I76-F78 HydrophobicContact CG2-CZ 3.95Å; I76-F78 WeakPolarHBondContact O-CD2 3.44Å; I76-F78 WeakPolarHBondContact O-CE2 3.1Å
77H96Very high91.7Very high52 Ų5236.9 Ų36.924%0.24117%0.165CC..  trans-67.2133.9171-176.283.6000110.7T47 A71 C72 C75 H89T47-H77 VanDerWaalsContact CB-CE1 3.49Å; T47-H77 WeakPolarHBondContact CB-CE1 3.28Å; T47-H77 PolarHBondContact OG1-CE1 3.46Å; A71-H77 WeakPolarHBondContact CA-O 3.5Å; C72-H77 HydrophobicContact CB-CB 4.12Å; C72-H77 PolarHBondContact N-O 3.19Å; C75-H77 PolarHBondContact O-N 2.79Å; C75-H77 VanDerWaalsContact SG-CB 3.52Å; H77-H89 AromaticContact CD2-CG 3.78Å; H77-H89 AromaticContact CD2-ND1 3.69Å; H77-H89 AromaticContact CG-ND1 3.81Å
78F95.5Very high92.9Very high32 Ų3237.3 Ų37.314%0.1417%0.171CC..EExtended strand (participates in β ladder)trans-99.5119.7179.2-64.5-78.3000111.3L29 L44 C45 T47 L69 L70 A71 I76 T102L29-F78 HydrophobicContact CD1-CE1 3.85Å; L29-F78 HydrophobicContact CD1-CZ 3.74Å; L44-F78 HydrophobicContact CD1-CE1 3.93Å; L44-F78 HydrophobicContact CD1-CZ 4.24Å; L44-F78 HydrophobicContact CD2-CE1 4Å; L44-F78 HydrophobicContact CD2-CE2 3.94Å; L44-F78 HydrophobicContact CD2-CZ 3.59Å; L44-F78 HydrophobicContact CG-CE1 4.37Å; L44-F78 HydrophobicContact CG-CZ 4.43Å; C45-F78 VanDerWaalsContact O-CB 3.27Å; C45-F78 WeakPolarHBondContact O-CB 3.09Å; T47-F78 PolarHBondContact N-O 2.84Å; T47-F78 PolarHBondContact OG1-O 3.37Å; L69-F78 HydrophobicContact CD1-CB 4.21Å; L69-F78 HydrophobicContact CD2-CD1 4.16Å; L69-F78 HydrophobicContact CG-CD1 4.36Å; L70-F78 WeakPolarHBondContact O-CA 3.28Å; A71-F78 HydrophobicContact CB-CD1 3.9Å; A71-F78 HydrophobicContact CB-CE1 3.65Å; I76-F78 HydrophobicContact CG2-CE2 4.08Å; I76-F78 HydrophobicContact CG2-CZ 3.95Å; I76-F78 WeakPolarHBondContact O-CD2 3.44Å; I76-F78 WeakPolarHBondContact O-CE2 3.1Å; F78-T102 HydrophobicContact CD1-CG2 4.42Å; F78-T102 HydrophobicContact CE1-CG2 4.17Å
79A93.8Very high93.4Very high1 Ų137.6 Ų37.61%0.00817%0.172CC..EExtended strand (participates in β ladder)trans-136.9139.8178.600000110.9L70 H85 I86L70-A79 WeakPolarHBondContact CA-O 3.35Å; L70-A79 WeakPolarHBondContact CB-O 3.33Å; L70-A79 PolarHBondContact N-O 3.38Å; L70-A79 PolarHBondContact O-N 3.18Å; A79-H85 HydrophobicContact CB-CB 4.23Å; A79-I86 HydrophobicContact CB-CB 4Å; A79-I86 HydrophobicContact CB-CD1 3.98Å
80C91Very high93.4Very high11 Ų1137.8 Ų37.87%0.07418%0.175CC..EExtended strand (participates in β ladder)trans-77.9142.9175.959.80000110.5C46 C49 H85 I86C46-C80 HydrophobicContact CB-CB 3.93Å; C46-C80 PolarHBondContact SG-N 3.14Å; C46-C80 VanDerWaalsContact SG-N 3.39Å; C49-C80 VanDerWaalsContact SG-SG 3.68Å; C80-H85 PolarHBondContact O-N 3.27Å; C80-H85 PolarHBondContact SG-ND1 3.44Å; C80-I86 PolarHBondContact O-N 2.87Å
81W89.4Confident93.4Very high53 Ų5344.4 Ų44.420%0.20121%0.206CC..THydrogen-bonded Turntrans-72.9-36.9171-177.877.8000111.6C68 L70 R84 F108C68-W81 HydrophobicContact CB-CB 4.26Å; C68-W81 WeakPolarHBondContact O-CB 3.24Å; C68-W81 PolarHBondContact O-N 3.28Å; L70-W81 HydrophobicContact CD1-CB 3.78Å; L70-W81 HydrophobicContact CD1-CG 4.24Å; L70-W81 HydrophobicContact CG-CB 4.18Å; W81-R84 WeakPolarHBondContact O-CA 3.37Å; W81-R84 PolarHBondContact O-N 3.49Å; W81-F108 AromaticContact CD1-CE2 3.59Å; W81-F108 AromaticContact CD1-CZ 3.58Å; W81-F108 AromaticContact NE1-CE2 3.33Å; W81-F108 VanDerWaalsContact NE1-CE2 3.33Å; W81-F108 AromaticContact NE1-CZ 3.55Å
82D83.2Confident93.3Very high36 Ų3650.3 Ų50.319%0.19324%0.237CC..THydrogen-bonded Turntrans-61-51.2-171-53.8-80.5000113.8R67 C68 R84R67-D82 VanDerWaalsContact CA-OD2 3.26Å; R67-D82 WeakPolarHBondContact CA-OD2 3.46Å; C68-D82 PolarHBondContact N-OD2 3.49Å; C68-D82 VanDerWaalsContact N-OD2 3.16Å; D82-R84 PolarHBondContact O-N 3.34Å
83Y84.1Confident93.3Very high82 Ų8254 Ų5432%0.32226%0.255SS..THydrogen-bonded Turntrans-84.912.3174.4-59.9-72.2000113.3C59 H85C59-Y83 WeakPolarHBondContact CB-OH 3.46Å; C59-Y83 PolarHBondContact SG-OH 2.67Å; C59-Y83 VanDerWaalsContact SG-OH 3.34Å; Y83-H85 PolarHBondContact O-N 2.97Å
84R89.2Confident93.1Very high180 Ų18058 Ų5868%0.67928%0.28SS*.THydrogen-bonded Turntrans56.920.4-179.1-61.3-177.1172-169.2-3.2114.3W81 D82 I86 Y87 L88W81-R84 WeakPolarHBondContact O-CA 3.37Å; W81-R84 PolarHBondContact O-N 3.49Å; D82-R84 PolarHBondContact O-N 3.34Å; R84-I86 PolarHBondContact O-N 3.14Å; R84-I86 VanDerWaalsContact O-N 3.13Å; R84-Y87 HydrophobicContact CB-CD2 3.73Å; R84-Y87 HydrophobicContact CB-CE2 4.44Å; R84-Y87 HydrophobicContact CG-CD2 4.03Å; R84-Y87 HydrophobicContact CG-CE2 4.27Å; R84-Y87 WeakPolarHBondContact O-CB 3.48Å; R84-Y87 PolarHBondContact O-N 2.89Å; R84-L88 PolarHBondContact O-N 2.85Å
85H91.9Very high93Very high5 Ų560.1 Ų60.12%0.02329%0.294CS..Hα-helixtrans-60.3-24.7175.7-73.8155.2000112.8C46 L48 C49 R52 E54 A79 C80 Y83 Y87 L88 H89C46-H85 PolarHBondContact SG-ND1 2.88Å; C46-H85 VanDerWaalsContact SG-ND1 3.37Å; L48-H85 HydrophobicContact CB-CB 4.47Å; L48-H85 HydrophobicContact CD1-CB 4.01Å; C49-H85 PolarHBondContact SG-CE1 3.49Å; C49-H85 PolarHBondContact SG-ND1 2.75Å; R52-H85 PolarHBondContact NH1-NE2 3.26Å; E54-H85 IonicContact OE2-CE1 3.58Å; E54-H85 PolarHBondContact OE2-CE1 2.98Å; E54-H85 VanDerWaalsContact OE2-CE1 3.29Å; E54-H85 IonicContact OE2-NE2 3.18Å; A79-H85 HydrophobicContact CB-CB 4.23Å; C80-H85 PolarHBondContact O-N 3.27Å; C80-H85 PolarHBondContact SG-ND1 3.44Å; Y83-H85 PolarHBondContact O-N 2.97Å; H85-Y87 PolarHBondContact O-N 3.47Å; H85-L88 PolarHBondContact O-N 2.91Å; H85-H89 PolarHBondContact O-N 3.37Å; H85-H89 VanDerWaalsContact O-N 3.1Å
86I93.7Very high93Very high0 Ų058.4 Ų58.40%028%0.279CS..Hα-helixtrans-64.2-31.1172-170.659.9000112.8L70 A79 C80 R84 H89 S90 S99 F108 T110L70-I86 HydrophobicContact CB-CD1 4.39Å; L70-I86 HydrophobicContact CB-CG1 4.5Å; L70-I86 HydrophobicContact CD1-CB 3.96Å; L70-I86 HydrophobicContact CD1-CG1 3.83Å; L70-I86 HydrophobicContact CD1-CG2 3.88Å; A79-I86 HydrophobicContact CB-CB 4Å; A79-I86 HydrophobicContact CB-CD1 3.98Å; C80-I86 PolarHBondContact O-N 2.87Å; R84-I86 PolarHBondContact O-N 3.14Å; R84-I86 VanDerWaalsContact O-N 3.13Å; I86-H89 HydrophobicContact CD1-CB 4.46Å; I86-H89 WeakPolarHBondContact O-CB 3.5Å; I86-H89 PolarHBondContact O-N 2.86Å; I86-S90 PolarHBondContact O-N 3.34Å; I86-S90 VanDerWaalsContact O-N 3.12Å; I86-S99 WeakPolarHBondContact CD1-OG 3.3Å; I86-F108 HydrophobicContact CG1-CE1 4.48Å; I86-F108 HydrophobicContact CG2-CE1 4.12Å; I86-T110 HydrophobicContact CG1-CG2 3.75Å
87Y94.7Very high93.1Very high63 Ų6358.7 Ų58.725%0.24728%0.276CS..Hα-helixtrans-73-38176.9-68-84.2000111.3R84 H85 H89 S90 E91 F108 G113R84-Y87 HydrophobicContact CB-CD2 3.73Å; R84-Y87 HydrophobicContact CB-CE2 4.44Å; R84-Y87 HydrophobicContact CG-CD2 4.03Å; R84-Y87 HydrophobicContact CG-CE2 4.27Å; R84-Y87 WeakPolarHBondContact O-CB 3.48Å; R84-Y87 PolarHBondContact O-N 2.89Å; H85-Y87 PolarHBondContact O-N 3.47Å; Y87-H89 VanDerWaalsContact C-N 3.27Å; Y87-H89 PolarHBondContact O-N 3.5Å; Y87-S90 WeakPolarHBondContact CA-OG 3.37Å; Y87-S90 CarbonylContact O-C 3.47Å; Y87-S90 PolarHBondContact O-N 2.86Å; Y87-S90 PolarHBondContact O-OG 2.9Å; Y87-E91 WeakPolarHBondContact O-CG 3.48Å; Y87-E91 PolarHBondContact O-N 3.48Å; Y87-F108 HydrophobicContact CE2-CZ 4.46Å; Y87-G113 WeakPolarHBondContact OH-CA 3.41Å
88L93.9Very high93.2Very high57 Ų5756.2 Ų56.230%0.29827%0.265SS..Hα-helixtrans-59.3-41.9171.4-59.3-177.7000111L48 R84 H85 S90 E91 D92L48-L88 HydrophobicContact CD1-CB 4.28Å; L48-L88 HydrophobicContact CD1-CD1 3.72Å; R84-L88 PolarHBondContact O-N 2.85Å; H85-L88 PolarHBondContact O-N 2.91Å; L88-S90 VanDerWaalsContact C-N 3.29Å; L88-S90 PolarHBondContact O-N 3.41Å; L88-E91 WeakPolarHBondContact CD2-OE2 3.44Å; L88-E91 WeakPolarHBondContact O-CB 3.39Å; L88-E91 PolarHBondContact O-N 3.35Å; L88-E91 VanDerWaalsContact O-N 3.14Å; L88-D92 PolarHBondContact O-N 3.22Å; L88-D92 VanDerWaalsContact O-N 3.09Å
89H95.4Very high93.3Very high8 Ų854.7 Ų54.74%0.03726%0.258CS..Hα-helixtrans-58.5-40.7173.6176.361000112.6C72 C75 H77 H85 I86 Y87 D92 H93 H96C72-H89 PolarHBondContact SG-NE2 3.48Å; C75-H89 VanDerWaalsContact SG-CE1 3.56Å; H77-H89 AromaticContact CD2-CG 3.78Å; H77-H89 AromaticContact CD2-ND1 3.69Å; H77-H89 AromaticContact CG-ND1 3.81Å; H85-H89 PolarHBondContact O-N 3.37Å; H85-H89 VanDerWaalsContact O-N 3.1Å; I86-H89 HydrophobicContact CD1-CB 4.46Å; I86-H89 WeakPolarHBondContact O-CB 3.5Å; I86-H89 PolarHBondContact O-N 2.86Å; Y87-H89 VanDerWaalsContact C-N 3.27Å; Y87-H89 PolarHBondContact O-N 3.5Å; H89-D92 PolarHBondContact O-N 3.29Å; H89-H93 AromaticContact CE1-CG 3.93Å; H89-H93 AromaticContact CE1-ND1 3.44Å; H89-H93 PolarHBondContact CE1-ND1 2.94Å; H89-H93 AromaticContact ND1-ND1 3.55Å; H89-H93 PolarHBondContact O-N 3.46Å; H89-H93 PolarHBondContact O-ND1 3.42Å; H89-H96 AromaticContact CE1-ND1 3.48Å; H89-H96 PolarHBondContact CE1-ND1 3.35Å; H89-H96 AromaticContact NE2-CG 3.88Å; H89-H96 AromaticContact NE2-ND1 3.1Å; H89-H96 PolarHBondContact NE2-ND1 3.33Å; H89-H96 VanDerWaalsContact NE2-ND1 3.1Å
90S94.4Very high93.5Very high22 Ų2254.7 Ų54.715%0.15426%0.258CS..Hα-helixtrans-73.5-23.5176.663.50000114.1I86 Y87 L88 H93 P94I86-S90 PolarHBondContact O-N 3.34Å; I86-S90 VanDerWaalsContact O-N 3.12Å; Y87-S90 WeakPolarHBondContact CA-OG 3.37Å; Y87-S90 CarbonylContact O-C 3.47Å; Y87-S90 PolarHBondContact O-N 2.86Å; Y87-S90 PolarHBondContact O-OG 2.9Å; L88-S90 VanDerWaalsContact C-N 3.29Å; L88-S90 PolarHBondContact O-N 3.41Å; S90-H93 CarbonylContact O-C 3.53Å; S90-P94 VanDerWaalsContact O-CA 3.25Å; S90-P94 WeakPolarHBondContact O-CA 3.26Å
91E95.6Very high93.7Very high138 Ų13854.2 Ų54.265%0.64526%0.255SS*.Hα-helixtrans-69.2-41.8170.9-71.8172.1178.500110.5Y87 L88Y87-E91 WeakPolarHBondContact O-CG 3.48Å; Y87-E91 PolarHBondContact O-N 3.48Å; L88-E91 WeakPolarHBondContact CD2-OE2 3.44Å; L88-E91 WeakPolarHBondContact O-CB 3.39Å; L88-E91 PolarHBondContact O-N 3.35Å; L88-E91 VanDerWaalsContact O-N 3.14Å
92D95.9Very high93.9Very high125 Ų12551.9 Ų51.967%0.66825%0.246SC*.Hα-helixtrans-70.6-31.1175.2-68.1-28.5000112.7L88 H89L88-D92 PolarHBondContact O-N 3.22Å; L88-D92 VanDerWaalsContact O-N 3.09Å; H89-D92 PolarHBondContact O-N 3.29Å
93H97Very high94.3Very high78 Ų7853.9 Ų53.936%0.36126%0.255SS..  trans-131.881.2-178.7-53.280.5000110.7H89 S90 D95 H96H89-H93 AromaticContact CE1-CG 3.93Å; H89-H93 AromaticContact CE1-ND1 3.44Å; H89-H93 PolarHBondContact CE1-ND1 2.94Å; H89-H93 AromaticContact ND1-ND1 3.55Å; H89-H93 PolarHBondContact O-N 3.46Å; H89-H93 PolarHBondContact O-ND1 3.42Å; S90-H93 CarbonylContact O-C 3.53Å; H93-D95 PolarHBondContact O-N 3.23Å; H93-H96 HydrophobicContact CB-CB 3.93Å; H93-H96 WeakPolarHBondContact CB-ND1 3.32Å; H93-H96 AromaticContact CD2-CE1 3.86Å; H93-H96 AromaticContact CG-CE1 3.93Å; H93-H96 AromaticContact CG-ND1 3.81Å; H93-H96 WeakPolarHBondContact O-CB 3.27Å; H93-H96 PolarHBondContact O-N 3.16Å
94P94.7Very high94.6Very high83 Ų8354.1 Ų54.154%0.53926%0.255SS..THydrogen-bonded Turntrans-64-13.7-173.4-25.536000115.6S90 Y97S90-P94 VanDerWaalsContact O-CA 3.25Å; S90-P94 WeakPolarHBondContact O-CA 3.26Å; P94-Y97 WeakPolarHBondContact O-CE2 3.02Å; P94-Y97 PolarHBondContact O-OH 2.83Å
95D93.7Very high94.9Very high101 Ų10145.7 Ų45.754%0.5422%0.224SC..THydrogen-bonded Turntrans-90-8.4175.363.9-39.8000113.3H74 H93 Y97H74-D95 PolarHBondContact CE1-O 3.15Å; H93-D95 PolarHBondContact O-N 3.23Å; D95-Y97 WeakPolarHBondContact O-CD2 3.49Å; D95-Y97 PolarHBondContact O-N 3.48Å
96H96.4Very high95Very high23 Ų2349 Ų4911%0.10624%0.24CC..  trans-89.477.2179.6-69.8-167.8000111.8H74 H89 H93H74-H96 HydrophobicContact CB-CB 4.41Å; H74-H96 AromaticContact CG-CD2 3.72Å; H74-H96 AromaticContact CG-CG 3.89Å; H74-H96 AromaticContact ND1-CD2 3.84Å; H89-H96 AromaticContact CE1-ND1 3.48Å; H89-H96 PolarHBondContact CE1-ND1 3.35Å; H89-H96 AromaticContact NE2-CG 3.88Å; H89-H96 AromaticContact NE2-ND1 3.1Å; H89-H96 PolarHBondContact NE2-ND1 3.33Å; H89-H96 VanDerWaalsContact NE2-ND1 3.1Å; H93-H96 HydrophobicContact CB-CB 3.93Å; H93-H96 WeakPolarHBondContact CB-ND1 3.32Å; H93-H96 AromaticContact CD2-CE1 3.86Å; H93-H96 AromaticContact CG-CE1 3.93Å; H93-H96 AromaticContact CG-ND1 3.81Å; H93-H96 WeakPolarHBondContact O-CB 3.27Å; H93-H96 PolarHBondContact O-N 3.16Å
97Y96.1Very high95.1Very high83 Ų8349.5 Ų49.533%0.32524%0.242SC..  trans-81.3-29.8-177.8-69-77000114.2H8 H74 P94 D95 C109 T110H8-Y97 HydrophobicContact CB-CG 4.18Å; H74-Y97 PolarHBondContact NE2-N 2.86Å; P94-Y97 WeakPolarHBondContact O-CE2 3.02Å; P94-Y97 PolarHBondContact O-OH 2.83Å; D95-Y97 WeakPolarHBondContact O-CD2 3.49Å; D95-Y97 PolarHBondContact O-N 3.48Å; Y97-C109 CarbonylContact O-C 3.19Å; Y97-C109 VanDerWaalsContact O-CA 3.3Å; Y97-C109 WeakPolarHBondContact O-CA 3.33Å; Y97-T110 WeakPolarHBondContact CA-OG1 3.24Å; Y97-T110 PolarHBondContact O-N 3.23Å; Y97-T110 PolarHBondContact O-OG1 3.47Å
98L97.9Very high95.2Very high0 Ų046.5 Ų46.50%023%0.231CC..EExtended strand (participates in β ladder)trans-109.2138.5-167.4-63.7-162.4000113.8A9 F12 F13 A73 H74 L107 F108 C109A9-L98 HydrophobicContact CB-CD1 4.35Å; F12-L98 HydrophobicContact CB-CD1 3.44Å; F12-L98 VanDerWaalsContact CB-CD1 3.44Å; F12-L98 HydrophobicContact CB-CG 4.03Å; F12-L98 HydrophobicContact CD1-CD1 3.33Å; F12-L98 HydrophobicContact CD1-CG 4.36Å; F12-L98 HydrophobicContact CD2-CB 4.25Å; F12-L98 HydrophobicContact CD2-CD1 4.05Å; F12-L98 HydrophobicContact CD2-CG 4.25Å; F12-L98 HydrophobicContact CE1-CD1 4.02Å; F12-L98 HydrophobicContact CE2-CB 4.39Å; F12-L98 HydrophobicContact CG-CB 4.34Å; F12-L98 HydrophobicContact CG-CD1 3.33Å; F12-L98 HydrophobicContact CG-CG 3.97Å; F13-L98 HydrophobicContact CE2-CD1 4.14Å; A73-L98 HydrophobicContact CB-CB 4.26Å; A73-L98 WeakPolarHBondContact CB-O 3.43Å; A73-L98 PolarHBondContact N-O 2.89Å; H74-L98 PolarHBondContact NE2-N 3.08Å; L98-L107 HydrophobicContact CB-CD1 4.28Å; L98-L107 HydrophobicContact CD1-CD1 3.99Å; L98-L107 HydrophobicContact CD1-CD2 4.13Å; L98-L107 HydrophobicContact CD1-CG 4.39Å; L98-F108 WeakPolarHBondContact CA-O 3.19Å; L98-C109 HydrophobicContact CD2-CB 3.78Å
99S97.7Very high95.4Very high0 Ų043.8 Ų43.80%022%0.216CC..EExtended strand (participates in β ladder)trans-140160.2173.2-60.10000110.9A71 C72 I86 F108A71-S99 CarbonylContact O-C 3.55Å; A71-S99 WeakPolarHBondContact O-CA 3.26Å; A71-S99 WeakPolarHBondContact O-CB 3.41Å; C72-S99 WeakPolarHBondContact CA-OG 3.45Å; I86-S99 WeakPolarHBondContact CD1-OG 3.3Å; S99-F108 PolarHBondContact N-O 3.13Å; S99-F108 PolarHBondContact O-N 3.02Å
100V97.9Very high95.5Very high1 Ų144.1 Ų44.11%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-117.7131.9177.7-1800000109.4I25 I26 L70 A71 T102 E106 L107I25-V100 HydrophobicContact CG2-CB 3.65Å; I25-V100 HydrophobicContact CG2-CG1 3.88Å; I25-V100 HydrophobicContact CG2-CG2 4.15Å; I26-V100 HydrophobicContact CG1-CG1 3.85Å; L70-V100 WeakPolarHBondContact CA-O 3.47Å; A71-V100 PolarHBondContact N-O 3.31Å; A71-V100 PolarHBondContact O-N 3.23Å; V100-T102 PolarHBondContact O-N 2.94Å; V100-E106 CarbonylContact C-O 3.57Å; V100-E106 WeakPolarHBondContact CA-O 3.4Å; V100-L107 HydrophobicContact CG2-CD1 4.21Å
101C95.6Very high95.5Very high0 Ų045.1 Ų45.10%023%0.233CC..EExtended strand (participates in β ladder)trans-68.7120173.1-162.20000109.6C68 L70 E103 R104 G105 E106 F115C68-C101 WeakPolarHBondContact CB-SG 3.41Å; C68-C101 WeakPolarHBondContact SG-CB 3.44Å; C68-C101 CovalentContact SG-SG 2.07Å; C68-C101 PolarHBondContact SG-SG 3.39Å; L70-C101 HydrophobicContact CD2-CB 3.97Å; C101-E103 PolarHBondContact O-N 2.96Å; C101-E103 PolarHBondContact SG-OE2 3.43Å; C101-R104 PolarHBondContact O-N 3.42Å; C101-G105 VanDerWaalsContact O-CA 3.24Å; C101-G105 WeakPolarHBondContact O-CA 3.47Å; C101-G105 PolarHBondContact O-N 3.46Å; C101-E106 PolarHBondContact N-O 2.93Å; C101-F115 HydrophobicContact CB-CE1 3.97Å; C101-F115 HydrophobicContact CB-CZ 4.46Å
102T93.5Very high95.5Very high4 Ų441.5 Ų41.53%0.02522%0.222CC..THydrogen-bonded Turntrans-72.6-13.7-17666.10000112.8A30 K41 L69 A71 F78 V100A30-T102 VanDerWaalsContact CA-O 3.28Å; A30-T102 WeakPolarHBondContact CA-O 3.44Å; K41-T102 WeakPolarHBondContact CE-O 3.32Å; K41-T102 PolarHBondContact NZ-O 2.77Å; L69-T102 WeakPolarHBondContact O-CG2 3.44Å; L69-T102 PolarHBondContact O-N 3.14Å; L69-T102 PolarHBondContact O-OG1 2.88Å; L69-T102 VanDerWaalsContact O-OG1 3.14Å; A71-T102 HydrophobicContact CB-CG2 3.94Å; F78-T102 HydrophobicContact CD1-CG2 4.42Å; F78-T102 HydrophobicContact CE1-CG2 4.17Å; V100-T102 PolarHBondContact O-N 2.94Å
103E90Very high95.3Very high79 Ų7937 Ų3737%0.36921%0.205SC..THydrogen-bonded Turntrans-85.7-44.4177-63.779.5-17900111L69 C101L69-E103 WeakPolarHBondContact CB-OE1 3.43Å; L69-E103 PolarHBondContact N-OE1 2.84Å; L69-E103 PolarHBondContact N-OE2 2.87Å; L69-E103 VanDerWaalsContact N-OE2 3.14Å; C101-E103 PolarHBondContact O-N 2.96Å; C101-E103 PolarHBondContact SG-OE2 3.43Å
104R91.6Very high95.1Very high86 Ų8638 Ų3833%0.32521%0.213SC..THydrogen-bonded Turntrans-111.4-17.2-169.4-58.4-167.9-61.3-107.6-0.1114.6C101 E106 H125C101-R104 PolarHBondContact O-N 3.42Å; R104-E106 HydrophobicContact CB-CG 3.93Å; R104-E106 IonicContact CZ-OE2 3.94Å; R104-E106 VanDerWaalsContact NE-CD 3.28Å; R104-E106 IonicContact NE-OE1 3.4Å; R104-E106 PolarHBondContact NE-OE1 3.28Å; R104-E106 IonicContact NE-OE2 2.71Å; R104-E106 PolarHBondContact NE-OE2 3.33Å; R104-E106 IonicContact NH2-OE2 2.79Å; R104-E106 PolarHBondContact NH2-OE2 3.01Å; R104-E106 PolarHBondContact O-N 3.4Å; R104-H125 PolarHBondContact O-CD2 3.37Å; R104-H125 PolarHBondContact O-NE2 3.31Å
105G94.6Very high95.1Very high4 Ų436.7 Ų36.74%0.04120%0.199CC..  trans74.99.1-173.900000114.5C101C101-G105 VanDerWaalsContact O-CA 3.24Å; C101-G105 WeakPolarHBondContact O-CA 3.47Å; C101-G105 PolarHBondContact O-N 3.46Å
106E95Very high95.2Very high75 Ų7533.1 Ų33.135%0.3518%0.181SC..  trans-75.9148.3-179.3-66.7169.2171.400111.8V100 C101 R104 F115V100-E106 CarbonylContact C-O 3.57Å; V100-E106 WeakPolarHBondContact CA-O 3.4Å; C101-E106 PolarHBondContact N-O 2.93Å; R104-E106 HydrophobicContact CB-CG 3.93Å; R104-E106 IonicContact CZ-OE2 3.94Å; R104-E106 VanDerWaalsContact NE-CD 3.28Å; R104-E106 IonicContact NE-OE1 3.4Å; R104-E106 PolarHBondContact NE-OE1 3.28Å; R104-E106 IonicContact NE-OE2 2.71Å; R104-E106 PolarHBondContact NE-OE2 3.33Å; R104-E106 IonicContact NH2-OE2 2.79Å; R104-E106 PolarHBondContact NH2-OE2 3.01Å; R104-E106 PolarHBondContact O-N 3.4Å; E106-F115 HydrophobicContact CB-CD1 3.7Å; E106-F115 HydrophobicContact CB-CE1 4.05Å
107L96.5Very high95.1Very high10 Ų1037.9 Ų37.95%0.05220%0.199CC..EExtended strand (participates in β ladder)trans-88.5124.4179.7-171.570.3000110.3A9 F13 L98 V100 F115 V116 H118 A121A9-L107 HydrophobicContact CB-CD2 4.36Å; F13-L107 HydrophobicContact CE2-CD2 3.74Å; F13-L107 HydrophobicContact CZ-CD2 4.19Å; L98-L107 HydrophobicContact CB-CD1 4.28Å; L98-L107 HydrophobicContact CD1-CD1 3.99Å; L98-L107 HydrophobicContact CD1-CD2 4.13Å; L98-L107 HydrophobicContact CD1-CG 4.39Å; V100-L107 HydrophobicContact CG2-CD1 4.21Å; L107-F115 CarbonylContact O-C 3.57Å; L107-F115 VanDerWaalsContact O-CA 3.28Å; L107-F115 WeakPolarHBondContact O-CA 3.34Å; L107-V116 HydrophobicContact CB-CG2 4.47Å; L107-V116 HydrophobicContact CD2-CG2 3.93Å; L107-V116 HydrophobicContact CG-CG2 4.04Å; L107-V116 PolarHBondContact O-N 2.92Å; L107-H118 HydrophobicContact CD2-CB 4.02Å; L107-A121 HydrophobicContact CB-CB 4.49Å; L107-A121 HydrophobicContact CD2-CB 4.11Å
108F96.7Very high95.1Very high0 Ų034.5 Ų34.50%019%0.186CC..EExtended strand (participates in β ladder)trans-108.1138.1175.3-177.9-100.2000110.2L70 W81 I86 Y87 L98 S99 T110 D114 F115L70-F108 HydrophobicContact CD1-CB 4.19Å; L70-F108 HydrophobicContact CD1-CD1 3.56Å; L70-F108 HydrophobicContact CD1-CE1 4.06Å; L70-F108 HydrophobicContact CD1-CG 3.86Å; L70-F108 HydrophobicContact CD2-CB 3.81Å; L70-F108 HydrophobicContact CD2-CG 4.31Å; W81-F108 AromaticContact CD1-CE2 3.59Å; W81-F108 AromaticContact CD1-CZ 3.58Å; W81-F108 AromaticContact NE1-CE2 3.33Å; W81-F108 VanDerWaalsContact NE1-CE2 3.33Å; W81-F108 AromaticContact NE1-CZ 3.55Å; I86-F108 HydrophobicContact CG1-CE1 4.48Å; I86-F108 HydrophobicContact CG2-CE1 4.12Å; Y87-F108 HydrophobicContact CE2-CZ 4.46Å; L98-F108 WeakPolarHBondContact CA-O 3.19Å; S99-F108 PolarHBondContact N-O 3.13Å; S99-F108 PolarHBondContact O-N 3.02Å; F108-T110 HydrophobicContact CD1-CG2 4.29Å; F108-T110 HydrophobicContact CE1-CG2 3.84Å; F108-D114 VanDerWaalsContact CD2-C 3.48Å; F108-D114 WeakPolarHBondContact CD2-O 3.48Å; F108-F115 HydrophobicContact CB-CD1 3.95Å; F108-F115 HydrophobicContact CB-CE1 3.82Å; F108-F115 HydrophobicContact CB-CZ 4.45Å; F108-F115 HydrophobicContact CD2-CD1 4.22Å; F108-F115 HydrophobicContact CD2-CD2 4.14Å; F108-F115 HydrophobicContact CD2-CE1 4.17Å; F108-F115 HydrophobicContact CD2-CE2 4.1Å; F108-F115 HydrophobicContact CD2-CG 4.2Å; F108-F115 HydrophobicContact CD2-CZ 4.11Å; F108-F115 HydrophobicContact CG-CE1 4.43Å
109C97.6Very high94.9Very high0 Ų037 Ų370%020%0.203CC..EExtended strand (participates in β ladder)trans-118.4115.7175.4-179.70000110.6H8 Y97 L98 G111 C112 G113 D114 V116H8-C109 PolarHBondContact ND1-SG 3.5Å; H8-C109 VanDerWaalsContact ND1-SG 3.37Å; Y97-C109 CarbonylContact O-C 3.19Å; Y97-C109 VanDerWaalsContact O-CA 3.3Å; Y97-C109 WeakPolarHBondContact O-CA 3.33Å; L98-C109 HydrophobicContact CD2-CB 3.78Å; C109-G111 VanDerWaalsContact C-N 3.32Å; C109-G111 PolarHBondContact O-N 3.3Å; C109-C112 HydrophobicContact CB-CB 4.05Å; C109-C112 PolarHBondContact O-N 3.39Å; C109-G113 PolarHBondContact O-N 3.27Å; C109-D114 PolarHBondContact N-O 3.15Å; C109-D114 PolarHBondContact O-N 3.17Å; C109-V116 HydrophobicContact CB-CB 4.49Å; C109-V116 HydrophobicContact CB-CG1 3.84Å; C109-V116 HydrophobicContact CB-CG2 3.78Å
110T96.3Very high94.8Very high14 Ų1438.6 Ų38.69%0.08621%0.213CC..THydrogen-bonded Turntrans-62.8-38.7178.1500000112I86 Y97 F108 C112 G113I86-T110 HydrophobicContact CG1-CG2 3.75Å; Y97-T110 WeakPolarHBondContact CA-OG1 3.24Å; Y97-T110 PolarHBondContact O-N 3.23Å; Y97-T110 PolarHBondContact O-OG1 3.47Å; F108-T110 HydrophobicContact CD1-CG2 4.29Å; F108-T110 HydrophobicContact CE1-CG2 3.84Å; T110-C112 VanDerWaalsContact C-N 3.32Å; T110-C112 PolarHBondContact O-N 2.94Å; T110-G113 PolarHBondContact O-N 2.95Å; T110-G113 VanDerWaalsContact O-N 3.15Å
111G94.8Very high94.7Very high43 Ų4338.9 Ų38.944%0.44322%0.216SC..THydrogen-bonded Turntrans-67.6-27.5178.500000114.2C109C109-G111 VanDerWaalsContact C-N 3.32Å; C109-G111 PolarHBondContact O-N 3.3Å
112C95.3Very high94.7Very high62 Ų6241.9 Ų41.942%0.41923%0.23SC..THydrogen-bonded Turntrans-90.1-20.7171.4-64.70000112.5C6 C109 T110 D114 V116C6-C112 WeakPolarHBondContact CB-SG 3.39Å; C109-C112 HydrophobicContact CB-CB 4.05Å; C109-C112 PolarHBondContact O-N 3.39Å; T110-C112 VanDerWaalsContact C-N 3.32Å; T110-C112 PolarHBondContact O-N 2.94Å; C112-D114 VanDerWaalsContact C-N 3.27Å; C112-D114 PolarHBondContact O-N 2.82Å; C112-V116 HydrophobicContact CB-CG1 4.12Å
113G92.7Very high94.8Very high31 Ų3145.8 Ų45.832%0.3225%0.254SS..THydrogen-bonded Turntrans71.418.2-175.500000114.5Y87 C109 T110Y87-G113 WeakPolarHBondContact OH-CA 3.41Å; C109-G113 PolarHBondContact O-N 3.27Å; T110-G113 PolarHBondContact O-N 2.95Å; T110-G113 VanDerWaalsContact O-N 3.15Å
114D93.3Very high95.1Very high100 Ų10043.5 Ų43.554%0.53524%0.242SC..EExtended strand (participates in β ladder)trans-149.7168.9-175.9-151.9-6.2000112.5F108 C109 C112F108-D114 VanDerWaalsContact CD2-C 3.48Å; F108-D114 WeakPolarHBondContact CD2-O 3.48Å; C109-D114 PolarHBondContact N-O 3.15Å; C109-D114 PolarHBondContact O-N 3.17Å; C112-D114 VanDerWaalsContact C-N 3.27Å; C112-D114 PolarHBondContact O-N 2.82Å
115F94.2Very high95.3Very high55 Ų5541.4 Ų41.424%0.24124%0.236CC..EExtended strand (participates in β ladder)trans-68.5132.1166.1-69.1-82.4000109.9L70 C101 E106 L107 F108L70-F115 HydrophobicContact CD2-CE1 4.27Å; L70-F115 HydrophobicContact CD2-CZ 4.42Å; C101-F115 HydrophobicContact CB-CE1 3.97Å; C101-F115 HydrophobicContact CB-CZ 4.46Å; E106-F115 HydrophobicContact CB-CD1 3.7Å; E106-F115 HydrophobicContact CB-CE1 4.05Å; L107-F115 CarbonylContact O-C 3.57Å; L107-F115 VanDerWaalsContact O-CA 3.28Å; L107-F115 WeakPolarHBondContact O-CA 3.34Å; F108-F115 HydrophobicContact CB-CD1 3.95Å; F108-F115 HydrophobicContact CB-CE1 3.82Å; F108-F115 HydrophobicContact CB-CZ 4.45Å; F108-F115 HydrophobicContact CD2-CD1 4.22Å; F108-F115 HydrophobicContact CD2-CD2 4.14Å; F108-F115 HydrophobicContact CD2-CE1 4.17Å; F108-F115 HydrophobicContact CD2-CE2 4.1Å; F108-F115 HydrophobicContact CD2-CG 4.2Å; F108-F115 HydrophobicContact CD2-CZ 4.11Å; F108-F115 HydrophobicContact CG-CE1 4.43Å
116V95.5Very high95.3Very high26 Ų2646.1 Ų46.116%0.15826%0.257CS..  trans-122.7146.2-174.1-64.50000110.4C6 L107 C109 C112C6-V116 HydrophobicContact CB-CG1 4.28Å; L107-V116 HydrophobicContact CB-CG2 4.47Å; L107-V116 HydrophobicContact CD2-CG2 3.93Å; L107-V116 HydrophobicContact CG-CG2 4.04Å; L107-V116 PolarHBondContact O-N 2.92Å; C109-V116 HydrophobicContact CB-CB 4.49Å; C109-V116 HydrophobicContact CB-CG1 3.84Å; C109-V116 HydrophobicContact CB-CG2 3.78Å; C112-V116 HydrophobicContact CB-CG1 4.12Å
117Y94.7Very high95.3Very high123 Ų12344.8 Ų44.848%0.48226%0.256SS..  trans-84.7142171.9175.9-96.8000110.4M4 S5 E122M4-Y117 HydrophobicContact CB-CD1 4.43Å; S5-Y117 WeakPolarHBondContact CA-O 3.43Å; Y117-E122 HydrophobicContact CD2-CB 4.49Å; Y117-E122 HydrophobicContact CE2-CB 3.73Å; Y117-E122 HydrophobicContact CE2-CG 3.83Å
118H95.6Very high95.2Very high12 Ų1244.3 Ų44.36%0.05625%0.254CS..  trans-149.7132.2164.3-168.4-83.4000109.2S5 A9 N10 F13 L107 V120 A121 E122S5-H118 PolarHBondContact OG-CD2 3.28Å; A9-H118 HydrophobicContact CB-CB 4.28Å; N10-H118 PolarHBondContact OD1-CD2 3.4Å; N10-H118 PolarHBondContact OD1-NE2 3.36Å; F13-H118 HydrophobicContact CD2-CB 4.21Å; F13-H118 AromaticContact CD2-CD2 3.61Å; F13-H118 AromaticContact CD2-CE1 3.33Å; F13-H118 WeakPolarHBondContact CD2-CE1 3.39Å; F13-H118 AromaticContact CD2-CG 3.45Å; F13-H118 VanDerWaalsContact CD2-CG 3.45Å; F13-H118 AromaticContact CD2-ND1 3.26Å; F13-H118 VanDerWaalsContact CD2-ND1 3.26Å; F13-H118 WeakPolarHBondContact CD2-ND1 3.47Å; F13-H118 AromaticContact CD2-NE2 3.54Å; F13-H118 HydrophobicContact CE2-CB 3.86Å; F13-H118 AromaticContact CE2-CG 3.61Å; F13-H118 AromaticContact CE2-ND1 3.61Å; F13-H118 AromaticContact CG-CE1 3.58Å; F13-H118 AromaticContact CG-ND1 3.8Å; L107-H118 HydrophobicContact CD2-CB 4.02Å; H118-V120 VanDerWaalsContact C-N 3.29Å; H118-V120 PolarHBondContact ND1-N 3.21Å; H118-V120 PolarHBondContact O-N 3.27Å; H118-A121 HydrophobicContact CB-CB 4.26Å; H118-A121 PolarHBondContact O-N 3.29Å; H118-A121 VanDerWaalsContact O-N 3.08Å; H118-E122 PolarHBondContact O-N 3.37Å
119S94.3Very high95Very high52 Ų5245.4 Ų45.436%0.36426%0.261SS..Hα-helixtrans-58.3-37.5-172.457.60000113.8T123S119-T123 WeakPolarHBondContact O-CB 3.15Å; S119-T123 PolarHBondContact O-N 3.02Å; S119-T123 PolarHBondContact O-OG1 2.96Å
120V94.9Very high94.6Very high33 Ų3352.8 Ų52.820%0.229%0.289CS..Hα-helixtrans-65.5-46.9176.1178.10000111.2F13 H118 E122 T123 F124F13-V120 HydrophobicContact CD1-CB 4.16Å; F13-V120 HydrophobicContact CD1-CG1 3.88Å; F13-V120 HydrophobicContact CE1-CB 4.4Å; F13-V120 HydrophobicContact CE1-CG1 4.06Å; F13-V120 HydrophobicContact CG-CB 4.45Å; H118-V120 VanDerWaalsContact C-N 3.29Å; H118-V120 PolarHBondContact ND1-N 3.21Å; H118-V120 PolarHBondContact O-N 3.27Å; V120-E122 VanDerWaalsContact C-N 3.34Å; V120-E122 PolarHBondContact O-N 3.42Å; V120-T123 WeakPolarHBondContact O-CB 3.49Å; V120-T123 PolarHBondContact O-N 2.95Å; V120-F124 HydrophobicContact CG1-CD2 4.24Å; V120-F124 HydrophobicContact CG1-CE1 4.35Å; V120-F124 HydrophobicContact CG1-CE2 3.47Å; V120-F124 VanDerWaalsContact CG1-CE2 3.47Å; V120-F124 HydrophobicContact CG1-CZ 3.52Å; V120-F124 WeakPolarHBondContact O-CD2 3.5Å; V120-F124 WeakPolarHBondContact O-CG 3.4Å; V120-F124 PolarHBondContact O-N 3.23Å; V120-F124 VanDerWaalsContact O-N 3.14Å
121A95.9Very high94.4Very high8 Ų855 Ų557%0.06630%0.302CS..Hα-helixtrans-63.4-42.4177.500000111.2F13 L107 H118 T123 F124 H125F13-A121 HydrophobicContact CE2-CB 4.28Å; F13-A121 HydrophobicContact CZ-CB 3.81Å; L107-A121 HydrophobicContact CB-CB 4.49Å; L107-A121 HydrophobicContact CD2-CB 4.11Å; H118-A121 HydrophobicContact CB-CB 4.26Å; H118-A121 PolarHBondContact O-N 3.29Å; H118-A121 VanDerWaalsContact O-N 3.08Å; A121-T123 VanDerWaalsContact C-N 3.33Å; A121-T123 PolarHBondContact O-N 3Å; A121-F124 PolarHBondContact O-N 3.37Å; A121-H125 WeakPolarHBondContact O-CB 3.4Å; A121-H125 PolarHBondContact O-N 3.23Å
122E95.2Very high94.2Very high62 Ų6255.9 Ų55.929%0.2929%0.293SS..Hα-helixtrans-60.1-43175.9179.862.1-166.600111.6Y117 H118 V120 F124 H125 Q126Y117-E122 HydrophobicContact CD2-CB 4.49Å; Y117-E122 HydrophobicContact CE2-CB 3.73Å; Y117-E122 HydrophobicContact CE2-CG 3.83Å; H118-E122 PolarHBondContact O-N 3.37Å; V120-E122 VanDerWaalsContact C-N 3.34Å; V120-E122 PolarHBondContact O-N 3.42Å; E122-F124 VanDerWaalsContact C-N 3.29Å; E122-F124 PolarHBondContact O-N 3.39Å; E122-H125 WeakPolarHBondContact O-CB 3.43Å; E122-H125 PolarHBondContact O-N 3.05Å; E122-Q126 HydrophobicContact CG-CG 4.25Å; E122-Q126 WeakPolarHBondContact O-CB 3.44Å; E122-Q126 WeakPolarHBondContact O-CG 3.44Å; E122-Q126 PolarHBondContact O-N 3.11Å; E122-Q126 VanDerWaalsContact OE1-CG 3.28Å; E122-Q126 WeakPolarHBondContact OE1-CG 3.18Å; E122-Q126 PolarHBondContact OE1-NE2 3.06Å
123T95.7Very high93.9Very high86 Ų8654.5 Ų54.553%0.52828%0.281SS..Hα-helixtrans-60.2-42176.7-590000111.2S119 V120 A121 S127S119-T123 WeakPolarHBondContact O-CB 3.15Å; S119-T123 PolarHBondContact O-N 3.02Å; S119-T123 PolarHBondContact O-OG1 2.96Å; V120-T123 WeakPolarHBondContact O-CB 3.49Å; V120-T123 PolarHBondContact O-N 2.95Å; A121-T123 VanDerWaalsContact C-N 3.33Å; A121-T123 PolarHBondContact O-N 3Å; T123-S127 VanDerWaalsContact O-CB 3.27Å; T123-S127 WeakPolarHBondContact O-CB 3.5Å; T123-S127 PolarHBondContact O-N 3.35Å; T123-S127 VanDerWaalsContact O-N 3.1Å
124F96.8Very high93.7Very high31 Ų3156.2 Ų56.214%0.13629%0.292CS..Hα-helixtrans-67.1-42175.4-59.4-27.2000112.1E19 K23 I26 V120 A121 E122 A128E19-F124 HydrophobicContact CB-CE2 4.2Å; E19-F124 HydrophobicContact CB-CZ 4.2Å; E19-F124 WeakPolarHBondContact O-CE2 3.44Å; K23-F124 HydrophobicContact CB-CD1 4.3Å; K23-F124 HydrophobicContact CB-CD2 3.79Å; K23-F124 HydrophobicContact CB-CE1 4.42Å; K23-F124 HydrophobicContact CB-CE2 3.9Å; K23-F124 HydrophobicContact CB-CG 4Å; K23-F124 HydrophobicContact CB-CZ 4.23Å; K23-F124 HydrophobicContact CD-CD1 4.14Å; K23-F124 HydrophobicContact CD-CE1 4.05Å; K23-F124 HydrophobicContact CD-CZ 4.44Å; K23-F124 HydrophobicContact CG-CD1 4.11Å; K23-F124 HydrophobicContact CG-CD2 4.43Å; K23-F124 HydrophobicContact CG-CE1 4.4Å; K23-F124 HydrophobicContact CG-CG 4.14Å; I26-F124 HydrophobicContact CD1-CB 3.91Å; V120-F124 HydrophobicContact CG1-CD2 4.24Å; V120-F124 HydrophobicContact CG1-CE1 4.35Å; V120-F124 HydrophobicContact CG1-CE2 3.47Å; V120-F124 VanDerWaalsContact CG1-CE2 3.47Å; V120-F124 HydrophobicContact CG1-CZ 3.52Å; V120-F124 WeakPolarHBondContact O-CD2 3.5Å; V120-F124 WeakPolarHBondContact O-CG 3.4Å; V120-F124 PolarHBondContact O-N 3.23Å; V120-F124 VanDerWaalsContact O-N 3.14Å; A121-F124 PolarHBondContact O-N 3.37Å; E122-F124 VanDerWaalsContact C-N 3.29Å; E122-F124 PolarHBondContact O-N 3.39Å; F124-A128 WeakPolarHBondContact O-CB 3.33Å; F124-A128 PolarHBondContact O-N 3.4Å
125H95.5Very high93.4Very high42 Ų4256 Ų5619%0.19429%0.288CS..Hα-helixtrans-60.1-55.9177.1-176.8-75.1000111.6F31 R104 A121 E122 S127 A128 C129F31-H125 AromaticContact CE2-CD2 3.92Å; F31-H125 AromaticContact CE2-NE2 3.91Å; F31-H125 AromaticContact CZ-NE2 3.73Å; R104-H125 PolarHBondContact O-CD2 3.37Å; R104-H125 PolarHBondContact O-NE2 3.31Å; A121-H125 WeakPolarHBondContact O-CB 3.4Å; A121-H125 PolarHBondContact O-N 3.23Å; E122-H125 WeakPolarHBondContact O-CB 3.43Å; E122-H125 PolarHBondContact O-N 3.05Å; H125-S127 VanDerWaalsContact C-N 3.3Å; H125-S127 PolarHBondContact O-N 2.86Å; H125-A128 PolarHBondContact O-N 3.27Å; H125-A128 VanDerWaalsContact O-N 3.11Å; H125-C129 VanDerWaalsContact O-CB 3.26Å; H125-C129 WeakPolarHBondContact O-CB 3.44Å; H125-C129 PolarHBondContact O-N 3.41Å
126Q94.4Very high92.9Very high103 Ų10358 Ų5848%0.48130%0.297SS..Hα-helixtrans-57.7-43.7179.2-70.5-178.32.300111.7E122 R130E122-Q126 HydrophobicContact CG-CG 4.25Å; E122-Q126 WeakPolarHBondContact O-CB 3.44Å; E122-Q126 WeakPolarHBondContact O-CG 3.44Å; E122-Q126 PolarHBondContact O-N 3.11Å; E122-Q126 VanDerWaalsContact OE1-CG 3.28Å; E122-Q126 WeakPolarHBondContact OE1-CG 3.18Å; E122-Q126 PolarHBondContact OE1-NE2 3.06Å; Q126-R130 WeakPolarHBondContact O-CB 3.37Å; Q126-R130 PolarHBondContact O-N 3.24Å
127S94.9Very high92.2Very high48 Ų4860.2 Ų60.234%0.33633%0.325SS..Hα-helixtrans-65.5-41.9177.7-175.30000112T123 H125 T131T123-S127 VanDerWaalsContact O-CB 3.27Å; T123-S127 WeakPolarHBondContact O-CB 3.5Å; T123-S127 PolarHBondContact O-N 3.35Å; T123-S127 VanDerWaalsContact O-N 3.1Å; H125-S127 VanDerWaalsContact C-N 3.3Å; H125-S127 PolarHBondContact O-N 2.86Å; S127-T131 WeakPolarHBondContact O-CB 3.36Å; S127-T131 PolarHBondContact O-N 3.18Å; S127-T131 PolarHBondContact O-OG1 3.18Å
128A95.1Very high91.6Very high0 Ų059.1 Ų59.10%033%0.327CS..Hα-helixtrans-68.3-47.8179.600000111.2I26 F31 F124 H125 T131 Y132I26-A128 HydrophobicContact CG2-CB 3.57Å; F31-A128 HydrophobicContact CB-CB 4.26Å; F31-A128 HydrophobicContact CD2-CB 3.74Å; F31-A128 HydrophobicContact CG-CB 4.3Å; F124-A128 WeakPolarHBondContact O-CB 3.33Å; F124-A128 PolarHBondContact O-N 3.4Å; H125-A128 PolarHBondContact O-N 3.27Å; H125-A128 VanDerWaalsContact O-N 3.11Å; A128-T131 PolarHBondContact O-N 3.01Å; A128-Y132 WeakPolarHBondContact O-CB 3.41Å; A128-Y132 PolarHBondContact O-N 2.93Å
129C91.9Very high90.7Very high22 Ų2262.4 Ų62.415%0.14935%0.352CS..Hα-helixtrans-58.5-48.9177.3-177.60000111.3F31 H125 T131 Y132 L133F31-C129 HydrophobicContact CE1-CB 4.45Å; F31-C129 HydrophobicContact CZ-CB 4.31Å; H125-C129 VanDerWaalsContact O-CB 3.26Å; H125-C129 WeakPolarHBondContact O-CB 3.44Å; H125-C129 PolarHBondContact O-N 3.41Å; C129-T131 PolarHBondContact O-N 3.42Å; C129-Y132 PolarHBondContact O-N 3.34Å; C129-L133 WeakPolarHBondContact O-CB 3.46Å; C129-L133 VanDerWaalsContact O-CG 3.31Å; C129-L133 WeakPolarHBondContact O-CG 3.45Å; C129-L133 PolarHBondContact O-N 3.48Å
130R90.9Very high89.7Confident155 Ų15564.7 Ų64.759%0.58536%0.36SS*.Hα-helixtrans-57.1-47.4177179.7178.462.3-159.8-4.1112.1Q126 A134Q126-R130 WeakPolarHBondContact O-CB 3.37Å; Q126-R130 PolarHBondContact O-N 3.24Å; R130-A134 VanDerWaalsContact O-CB 3.28Å; R130-A134 WeakPolarHBondContact O-CB 3.34Å; R130-A134 PolarHBondContact O-N 3.05Å
131T91.6Very high88.7Confident60 Ų6073.3 Ų73.337%0.36839%0.388SS..Hα-helixtrans-69.7-37-179.1-58.80000111.8K33 S127 A128 C129 Q135K33-T131 HydrophobicContact CD-CG2 3.99Å; S127-T131 WeakPolarHBondContact O-CB 3.36Å; S127-T131 PolarHBondContact O-N 3.18Å; S127-T131 PolarHBondContact O-OG1 3.18Å; A128-T131 PolarHBondContact O-N 3.01Å; C129-T131 PolarHBondContact O-N 3.42Å; T131-Q135 PolarHBondContact O-N 3.41Å; T131-Q135 VanDerWaalsContact O-N 3.14Å
132Y91.2Very high87.6Confident63 Ų6383.4 Ų83.425%0.24743%0.427CS..Hα-helixtrans-62.7-51.4174.9177.4-94.4000111.3F31 P32 F38 A128 C129 A134 Q135 F136F31-Y132 HydrophobicContact CB-CD2 4.01Å; F31-Y132 HydrophobicContact CB-CG 4.1Å; F31-Y132 HydrophobicContact CD1-CD1 4.13Å; F31-Y132 HydrophobicContact CD1-CD2 4.48Å; F31-Y132 HydrophobicContact CD1-CG 4.04Å; P32-Y132 VanDerWaalsContact O-CD2 3.25Å; P32-Y132 WeakPolarHBondContact O-CD2 3.38Å; P32-Y132 WeakPolarHBondContact O-CE2 3.44Å; F38-Y132 HydrophobicContact CE1-CE2 4.02Å; F38-Y132 AromaticContact CZ-CE2 3.87Å; F38-Y132 HydrophobicContact CZ-CE2 3.87Å; A128-Y132 WeakPolarHBondContact O-CB 3.41Å; A128-Y132 PolarHBondContact O-N 2.93Å; C129-Y132 PolarHBondContact O-N 3.34Å; Y132-A134 PolarHBondContact O-N 3.39Å; Y132-Q135 WeakPolarHBondContact O-CB 3.44Å; Y132-Q135 PolarHBondContact O-N 2.87Å; Y132-F136 HydrophobicContact CD1-CD2 4.48Å; Y132-F136 HydrophobicContact CD2-CE2 4.02Å; Y132-F136 HydrophobicContact CE1-CD2 4.21Å; Y132-F136 HydrophobicContact CE1-CE2 4.26Å; Y132-F136 HydrophobicContact CE2-CD2 4.31Å; Y132-F136 AromaticContact CE2-CE2 3.59Å; Y132-F136 HydrophobicContact CE2-CE2 3.59Å; Y132-F136 HydrophobicContact CE2-CZ 4.48Å; Y132-F136 AromaticContact CZ-CE2 3.7Å; Y132-F136 VanDerWaalsContact O-CD2 3.23Å; Y132-F136 WeakPolarHBondContact O-CD2 3.36Å; Y132-F136 PolarHBondContact O-N 2.86Å
133L88.8Confident86.5Confident32 Ų3288.5 Ų88.517%0.16844%0.443CS..Hα-helixtrans-59.9-45.9177.5-69.4173.6000111.8C129 Q135 F136 G137 L138 N140C129-L133 WeakPolarHBondContact O-CB 3.46Å; C129-L133 VanDerWaalsContact O-CG 3.31Å; C129-L133 WeakPolarHBondContact O-CG 3.45Å; C129-L133 PolarHBondContact O-N 3.48Å; L133-Q135 PolarHBondContact O-N 3.3Å; L133-F136 CarbonylContact O-C 3.26Å; L133-F136 PolarHBondContact O-N 2.7Å; L133-G137 PolarHBondContact O-N 2.88Å; L133-L138 CarbonylContact C-O 3.58Å; L133-L138 VanDerWaalsContact C-O 3.26Å; L133-L138 HydrophobicContact CB-CB 4Å; L133-L138 HydrophobicContact CD2-CB 3.87Å; L133-L138 HydrophobicContact CD2-CD1 3.88Å; L133-L138 WeakPolarHBondContact O-CA 3.46Å; L133-L138 WeakPolarHBondContact O-CB 3.32Å; L133-L138 PolarHBondContact O-N 3.31Å; L133-N140 HydrophobicContact CD1-CB 3.74Å
134A87.8Confident85.7Confident67 Ų6795.3 Ų95.355%0.55446%0.459SS*.Hα-helixtrans-58.3-34.8178.500000112.6R130 Y132 F136 G137R130-A134 VanDerWaalsContact O-CB 3.28Å; R130-A134 WeakPolarHBondContact O-CB 3.34Å; R130-A134 PolarHBondContact O-N 3.05Å; Y132-A134 PolarHBondContact O-N 3.39Å; A134-F136 VanDerWaalsContact C-N 3.26Å; A134-F136 PolarHBondContact O-N 3.33Å; A134-G137 PolarHBondContact O-N 3.45Å; A134-G137 VanDerWaalsContact O-N 3.17Å
135Q86.3Confident84.8Confident95 Ų9595.4 Ų95.444%0.44446%0.463SS..Hα-helixtrans-63.2-31.9176178.5174.13.700113K33 T131 Y132 L133 G137K33-Q135 VanDerWaalsContact CG-OE1 3.31Å; K33-Q135 PolarHBondContact O-NE2 3.12Å; K33-Q135 PolarHBondContact O-OE1 3.4Å; T131-Q135 PolarHBondContact O-N 3.41Å; T131-Q135 VanDerWaalsContact O-N 3.14Å; Y132-Q135 WeakPolarHBondContact O-CB 3.44Å; Y132-Q135 PolarHBondContact O-N 2.87Å; L133-Q135 PolarHBondContact O-N 3.3Å; Q135-G137 VanDerWaalsContact C-N 3.34Å
136F83.5Confident84.2Confident97 Ų9796 Ų9643%0.42547%0.472SS..THydrogen-bonded Turntrans-95.213.9177.9-66-75.2000113F38 Y132 L133 A134 L138F38-F136 AromaticContact CE2-CZ 3.87Å; F38-F136 HydrophobicContact CE2-CZ 3.87Å; F38-F136 AromaticContact CZ-CE2 3.94Å; F38-F136 HydrophobicContact CZ-CE2 3.94Å; F38-F136 AromaticContact CZ-CZ 3.49Å; F38-F136 HydrophobicContact CZ-CZ 3.49Å; F38-F136 VanDerWaalsContact CZ-CZ 3.49Å; Y132-F136 HydrophobicContact CD1-CD2 4.48Å; Y132-F136 HydrophobicContact CD2-CE2 4.02Å; Y132-F136 HydrophobicContact CE1-CD2 4.21Å; Y132-F136 HydrophobicContact CE1-CE2 4.26Å; Y132-F136 HydrophobicContact CE2-CD2 4.31Å; Y132-F136 AromaticContact CE2-CE2 3.59Å; Y132-F136 HydrophobicContact CE2-CE2 3.59Å; Y132-F136 HydrophobicContact CE2-CZ 4.48Å; Y132-F136 AromaticContact CZ-CE2 3.7Å; Y132-F136 VanDerWaalsContact O-CD2 3.23Å; Y132-F136 WeakPolarHBondContact O-CD2 3.36Å; Y132-F136 PolarHBondContact O-N 2.86Å; L133-F136 CarbonylContact O-C 3.26Å; L133-F136 PolarHBondContact O-N 2.7Å; A134-F136 VanDerWaalsContact C-N 3.26Å; A134-F136 PolarHBondContact O-N 3.33Å; F136-L138 HydrophobicContact CB-CD1 4.24Å; F136-L138 HydrophobicContact CB-CG 4.14Å; F136-L138 PolarHBondContact O-N 3.12Å
137G80.8Confident83.8Confident73 Ų7398.7 Ų98.775%0.75348%0.482SS*.THydrogen-bonded Turntrans66.416.8-176.600000113.5L133 A134 Q135L133-G137 PolarHBondContact O-N 2.88Å; A134-G137 PolarHBondContact O-N 3.45Å; A134-G137 VanDerWaalsContact O-N 3.17Å; Q135-G137 VanDerWaalsContact C-N 3.34Å
138L82.3Confident83.5Confident101 Ų101101.8 Ų101.853%0.52950%0.495SS..  trans-93.2148.1179-59.3178.5000110.5L133 F136L133-L138 CarbonylContact C-O 3.58Å; L133-L138 VanDerWaalsContact C-O 3.26Å; L133-L138 HydrophobicContact CB-CB 4Å; L133-L138 HydrophobicContact CD2-CB 3.87Å; L133-L138 HydrophobicContact CD2-CD1 3.88Å; L133-L138 WeakPolarHBondContact O-CA 3.46Å; L133-L138 WeakPolarHBondContact O-CB 3.32Å; L133-L138 PolarHBondContact O-N 3.31Å; F136-L138 HydrophobicContact CB-CD1 4.24Å; F136-L138 HydrophobicContact CB-CG 4.14Å; F136-L138 PolarHBondContact O-N 3.12Å
139S78.1Confident83Confident81 Ų81105.1 Ų105.157%0.56651%0.511SS*.  trans-100.2139175.8-178.80000110.2R141S139-R141 PolarHBondContact O-N 3.32Å; S139-R141 WeakPolarHBondContact OG-CB 3.35Å; S139-R141 PolarHBondContact OG-N 3.25Å
140N72.5Confident82.7Confident100 Ų100107.9 Ų107.954%0.53552%0.524SS..SBendtrans-80.30166.9-16327.1000112.6L133L133-N140 HydrophobicContact CD1-CB 3.74Å
141R73.8Confident82.7Confident213 Ų213108.7 Ų108.780%0.80453%0.527SS*.SBendtrans-83.9142.4174.2-58.9-177.6178.5-178.5-0.6108.5S139 W143S139-R141 PolarHBondContact O-N 3.32Å; S139-R141 WeakPolarHBondContact OG-CB 3.35Å; S139-R141 PolarHBondContact OG-N 3.25Å; R141-W143 PolarHBondContact O-N 3.35Å
142Y72.7Confident82.4Confident221 Ų221110.4 Ų110.487%0.86753%0.533SS*.PPolyproline II helixtrans-48.4131.9167.3-63.5-74000109.6R144Y142-R144 PolarHBondContact O-N 3.05Å; Y142-R144 VanDerWaalsContact O-N 3.09Å
143W72.6Confident82Confident169 Ų169111.4 Ų111.464%0.6454%0.542SS*.PPolyproline II helixtrans-58.1120.2174.317872.9000108.2R141 P145 E149R141-W143 PolarHBondContact O-N 3.35Å; W143-P145 HydrophobicContact CE3-CB 4.43Å; W143-P145 HydrophobicContact CE3-CG 4.04Å; W143-P145 HydrophobicContact CH2-CB 3.46Å; W143-P145 VanDerWaalsContact CH2-CB 3.46Å; W143-P145 HydrophobicContact CH2-CG 3.67Å; W143-P145 HydrophobicContact CZ2-CB 3.52Å; W143-P145 HydrophobicContact CZ2-CG 4.14Å; W143-P145 HydrophobicContact CZ3-CB 3.93Å; W143-P145 HydrophobicContact CZ3-CG 3.59Å; W143-E149 HydrophobicContact CZ2-CB 4.31Å; W143-E149 PolarHBondContact NE1-OE1 2.83Å
144R77.7Confident81.7Confident228 Ų228114.9 Ų114.986%0.8657%0.566SS**  trans-118.495.9178.7-171.5-177.7178.5125.70.9106.8Y142 S146Y142-R144 PolarHBondContact O-N 3.05Å; Y142-R144 VanDerWaalsContact O-N 3.09Å; R144-S146 PolarHBondContact O-N 3.46Å
145P78.4Confident81.5Confident34 Ų34118.9 Ų118.922%0.22157%0.573CS.*  trans-59136.1-177.117.9-26.6000110.6W143 E149 L150W143-P145 HydrophobicContact CE3-CB 4.43Å; W143-P145 HydrophobicContact CE3-CG 4.04Å; W143-P145 HydrophobicContact CH2-CB 3.46Å; W143-P145 VanDerWaalsContact CH2-CB 3.46Å; W143-P145 HydrophobicContact CH2-CG 3.67Å; W143-P145 HydrophobicContact CZ2-CB 3.52Å; W143-P145 HydrophobicContact CZ2-CG 4.14Å; W143-P145 HydrophobicContact CZ3-CB 3.93Å; W143-P145 HydrophobicContact CZ3-CG 3.59Å; P145-E149 HydrophobicContact CB-CB 3.87Å; P145-L150 HydrophobicContact CB-CD2 3.79Å; P145-L150 HydrophobicContact CB-CG 4.01Å; P145-L150 HydrophobicContact CG-CD2 3.48Å; P145-L150 VanDerWaalsContact CG-CD2 3.48Å; P145-L150 HydrophobicContact CG-CG 4.13Å
146S83Confident81.2Confident55 Ų55119.4 Ų119.439%0.38558%0.578SS.*  trans-63.3160.216264.50000110.5R144 N148 E149 L150R144-S146 PolarHBondContact O-N 3.46Å; S146-N148 PolarHBondContact O-N 3.35Å; S146-N148 VanDerWaalsContact O-N 3.17Å; S146-E149 WeakPolarHBondContact CB-OE2 3.46Å; S146-E149 PolarHBondContact N-OE2 2.96Å; S146-E149 PolarHBondContact O-N 3.1Å; S146-E149 WeakPolarHBondContact OG-CG 3.26Å; S146-E149 PolarHBondContact OG-N 3.32Å; S146-E149 PolarHBondContact OG-OE2 3.1Å; S146-L150 PolarHBondContact O-N 3.49Å
147F86.8Confident80.8Confident158 Ų158120.6 Ų120.669%0.69359%0.593SS**Hα-helixtrans-56.3-33.8175.8-170.8-97000112.2L150 R151F147-L150 PolarHBondContact O-N 3.33Å; F147-R151 HydrophobicContact CE1-CG 4.4Å; F147-R151 WeakPolarHBondContact O-CG 3.28Å; F147-R151 PolarHBondContact O-N 3.29Å
148N87.7Confident80.2Confident113 Ų113120.9 Ų120.960%0.60458%0.582SS**Hα-helixtrans-68.8-40.5175.6-73.9-17.6000112.6S146 L150 R151S146-N148 PolarHBondContact O-N 3.35Å; S146-N148 VanDerWaalsContact O-N 3.17Å; N148-L150 VanDerWaalsContact C-N 3.32Å; N148-L150 PolarHBondContact O-N 3.18Å; N148-R151 WeakPolarHBondContact O-CB 3.43Å; N148-R151 PolarHBondContact O-N 3.03Å
149E85.3Confident79.6Confident71 Ų71123 Ų12333%0.33260%0.599SS.*Hα-helixtrans-64.1-38173.9-74.4163.8112.400111.6W143 P145 S146 R151 L152 I153W143-E149 HydrophobicContact CZ2-CB 4.31Å; W143-E149 PolarHBondContact NE1-OE1 2.83Å; P145-E149 HydrophobicContact CB-CB 3.87Å; S146-E149 WeakPolarHBondContact CB-OE2 3.46Å; S146-E149 PolarHBondContact N-OE2 2.96Å; S146-E149 PolarHBondContact O-N 3.1Å; S146-E149 WeakPolarHBondContact OG-CG 3.26Å; S146-E149 PolarHBondContact OG-N 3.32Å; S146-E149 PolarHBondContact OG-OE2 3.1Å; E149-R151 PolarHBondContact O-N 2.94Å; E149-L152 WeakPolarHBondContact O-CB 3.48Å; E149-L152 PolarHBondContact O-N 3.44Å; E149-I153 PolarHBondContact O-N 3.48Å
150L85.7Confident78.8Confident80 Ų80125.4 Ų125.442%0.41961%0.605SS.*Hα-helixtrans-59-34.7175-68.9178.8000112.4P145 S146 F147 N148 L152 I153P145-L150 HydrophobicContact CB-CD2 3.79Å; P145-L150 HydrophobicContact CB-CG 4.01Å; P145-L150 HydrophobicContact CG-CD2 3.48Å; P145-L150 VanDerWaalsContact CG-CD2 3.48Å; P145-L150 HydrophobicContact CG-CG 4.13Å; S146-L150 PolarHBondContact O-N 3.49Å; F147-L150 PolarHBondContact O-N 3.33Å; N148-L150 VanDerWaalsContact C-N 3.32Å; N148-L150 PolarHBondContact O-N 3.18Å; L150-L152 PolarHBondContact O-N 2.93Å; L150-I153 HydrophobicContact CD2-CD1 3.5Å; L150-I153 WeakPolarHBondContact O-CB 3.22Å; L150-I153 PolarHBondContact O-N 3.45Å
151R89.7Confident77.9Confident171 Ų171125.5 Ų125.565%0.64561%0.611SS**Hα-helixtrans-67.7-21.2176-63.3177.684.4-178.36.1112.9F147 N148 E149F147-R151 HydrophobicContact CE1-CG 4.4Å; F147-R151 WeakPolarHBondContact O-CG 3.28Å; F147-R151 PolarHBondContact O-N 3.29Å; N148-R151 WeakPolarHBondContact O-CB 3.43Å; N148-R151 PolarHBondContact O-N 3.03Å; E149-R151 PolarHBondContact O-N 2.94Å
152L86.5Confident76.9Confident97 Ų97122.5 Ų122.551%0.50861%0.61SS.*Hα-helixtrans-85.2-19.1177.8-60.3175.9000112.6E149 L150 P154 H155 I156E149-L152 WeakPolarHBondContact O-CB 3.48Å; E149-L152 PolarHBondContact O-N 3.44Å; L150-L152 PolarHBondContact O-N 2.93Å; L152-P154 VanDerWaalsContact C-CD 3.45Å; L152-P154 VanDerWaalsContact C-N 3.35Å; L152-H155 CarbonylContact O-C 3.55Å; L152-H155 WeakPolarHBondContact O-CA 3.45Å; L152-H155 WeakPolarHBondContact O-CB 3.34Å; L152-H155 PolarHBondContact O-N 3.03Å; L152-I156 HydrophobicContact CB-CD1 4.23Å; L152-I156 WeakPolarHBondContact O-CG1 3.45Å; L152-I156 PolarHBondContact O-N 3.3Å; L152-I156 VanDerWaalsContact O-N 3.13Å
153I82.3Confident75.7Confident84 Ų84117.1 Ų117.143%0.43160%0.6SS.*G310 helixtrans-49.8-45.7-177-67.4178.6000113.2E149 L150 H155 I156E149-I153 PolarHBondContact O-N 3.48Å; L150-I153 HydrophobicContact CD2-CD1 3.5Å; L150-I153 WeakPolarHBondContact O-CB 3.22Å; L150-I153 PolarHBondContact O-N 3.45Å; I153-H155 PolarHBondContact O-N 3.35Å; I153-H155 VanDerWaalsContact O-N 3.11Å; I153-I156 PolarHBondContact O-N 2.64Å
154P82.3Confident74.4Confident104 Ų104115.6 Ų115.668%0.67561%0.609SS**G310 helixtrans-63.8-17.3178.8-21.934.4000114.5L152L152-P154 VanDerWaalsContact C-CD 3.45Å; L152-P154 VanDerWaalsContact C-N 3.35Å
155H83.9Confident72.6Confident152 Ų152111.1 Ų111.170%0.70460%0.602SS**G310 helixtrans-103.5-8.8-178.2-53.4-59.3000112.7L152 I153L152-H155 CarbonylContact O-C 3.55Å; L152-H155 WeakPolarHBondContact O-CA 3.45Å; L152-H155 WeakPolarHBondContact O-CB 3.34Å; L152-H155 PolarHBondContact O-N 3.03Å; I153-H155 PolarHBondContact O-N 3.35Å; I153-H155 VanDerWaalsContact O-N 3.11Å
156I79.4Confident70.3Confident106 Ų106112.6 Ų112.654%0.54462%0.623SS.*PPolyproline II helixtrans-84.6118.4174.8-64.3166.3000107.8L152 I153 P158L152-I156 HydrophobicContact CB-CD1 4.23Å; L152-I156 WeakPolarHBondContact O-CG1 3.45Å; L152-I156 PolarHBondContact O-N 3.3Å; L152-I156 VanDerWaalsContact O-N 3.13Å; I153-I156 PolarHBondContact O-N 2.64Å; I156-P158 WeakPolarHBondContact O-CD 3.25Å
157T75.9Confident68.3Low122 Ų122120.5 Ų120.575%0.74865%0.646SS**PPolyproline II helixtrans-86.5121.1169.8-53.60000108.3V159T157-V159 PolarHBondContact O-N 3.27Å
158P68.2Low65.7Low79 Ų79118.6 Ų118.651%0.51365%0.653SS.*PPolyproline II helixtrans-57.1132.7174.4-23.333.6000110.8I156 L160I156-P158 WeakPolarHBondContact O-CD 3.25Å; P158-L160 VanDerWaalsContact C-N 3.29Å; P158-L160 WeakPolarHBondContact CB-O 3.39Å; P158-L160 PolarHBondContact O-N 3.14Å
159V69.3Low63Low146 Ų146116.4 Ų116.489%0.88566%0.656SS**SBendtrans-70.4-28.7179.2-177.20000111.5T157T157-V159 PolarHBondContact O-N 3.27Å
160L60.4Low60.6Low131 Ų131118.4 Ų118.469%0.68667%0.673SS**SBendtrans-102.3137.1167.4-88.491.1000109.7P158 L162P158-L160 VanDerWaalsContact C-N 3.29Å; P158-L160 WeakPolarHBondContact CB-O 3.39Å; P158-L160 PolarHBondContact O-N 3.14Å; L160-L162 PolarHBondContact O-N 3.06Å
161P55Low58Low102 Ų102123.3 Ų123.366%0.66270%0.696SS**  trans-53.4128.4159.8-13.826.3000106.9T163P161-T163 PolarHBondContact O-N 2.96Å
162L52.8Low55.1Low149 Ų149126 Ų12678%0.7871%0.707SS**  trans-6385.3165.3-67.6170.3000105.9L160 V164L160-L162 PolarHBondContact O-N 3.06Å; L162-V164 VanDerWaalsContact C-N 3.3Å; L162-V164 WeakPolarHBondContact O-CG2 3.48Å; L162-V164 PolarHBondContact O-N 3.2Å
163T46.4Very low52.7Low109 Ų109131.4 Ų131.467%0.66974%0.743SS**  trans-62106.1166.5430000104.3P161 N165P161-T163 PolarHBondContact O-N 2.96Å; T163-N165 PolarHBondContact O-N 3.32Å
164V44.8Very low51.2Low137 Ų137133.8 Ų133.883%0.8376%0.759SS**  trans-66.972.7-178.9-1740000107.3L162 G166L162-V164 VanDerWaalsContact C-N 3.3Å; L162-V164 WeakPolarHBondContact O-CG2 3.48Å; L162-V164 PolarHBondContact O-N 3.2Å; V164-G166 PolarHBondContact O-N 3.15Å
165N41.1Very low49.6Very low134 Ų134135.4 Ų135.472%0.71776%0.763SS**  trans-78.475163.6-82.3-5.9000107T163 Y167T163-N165 PolarHBondContact O-N 3.32Å; N165-Y167 WeakPolarHBondContact O-CD2 3.49Å; N165-Y167 PolarHBondContact O-N 3.09Å
166G30.7Very low47.7Very low64 Ų64134.4 Ų134.466%0.6677%0.766SS**SBendtrans58.8-3.2130.300000121.2V164 S168V164-G166 PolarHBondContact O-N 3.15Å; G166-S168 PolarHBondContact O-N 3.23Å
167Y40.1Very low45.8Very low222 Ų222136.1 Ų136.187%0.87178%0.78SS**  trans-97.795.7174-62-73.6000108.3N165 G169N165-Y167 WeakPolarHBondContact O-CD2 3.49Å; N165-Y167 PolarHBondContact O-N 3.09Å; Y167-G169 PolarHBondContact O-N 3.09Å
168S32.5Very low43.9Very low118 Ų118137 Ų13783%0.82578%0.781SS**  trans-56.266.9164.252.40000111.2G166 V170G166-S168 PolarHBondContact O-N 3.23Å; S168-V170 PolarHBondContact O-N 3.35Å
169G30.9Very low42.3Very low66 Ų66140.9 Ų140.968%0.6880%0.799SS**  trans-89.685.4164.900000107.1Y167 M171Y167-G169 PolarHBondContact O-N 3.09Å; G169-M171 PolarHBondContact O-N 3.43Å
170V34.9Very low40.4Very low114 Ų114140.5 Ų140.569%0.69179%0.793SS**  trans-54.8106.7178.3-169.40000108.6S168 R172S168-V170 PolarHBondContact O-N 3.35Å; V170-R172 VanDerWaalsContact C-N 3.27Å; V170-R172 HydrophobicContact CG1-CG 4.25Å; V170-R172 PolarHBondContact O-N 2.95Å
171M30.7Very low38.8Very low183 Ų183141.2 Ų141.290%0.90180%0.802SS**  trans-63.995.4160.9-99.4-178.513800106.5G169 V173G169-M171 PolarHBondContact O-N 3.43Å; M171-V173 PolarHBondContact O-N 3.32Å
172R29.8Very low37.5Very low228 Ų228144.5 Ų144.586%0.8681%0.813SS**  trans-70.7115.9166.6-69.9-175.7178.4-177.5-0.5107.1V170V170-R172 VanDerWaalsContact C-N 3.27Å; V170-R172 HydrophobicContact CG1-CG 4.25Å; V170-R172 PolarHBondContact O-N 2.95Å
173V35.4Very low36.1Very low210 Ų210144.1 Ų144.1100%1.27382%0.816SS**  trans-66.30164-178.70000109M171M171-V173 PolarHBondContact O-N 3.32Å

Retrieved 173 of 173 residues in 386.7 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).