A0A087YAG8_POEFO Loading...

Inositol-pentakisphosphate 2-kinase

Phosphorylates Ins(1,3,4,5,6)P5 at position 2 to form Ins(1,2,3,4,5,6)P6 (InsP6 or phytate).

AlphaFold DB , UniProt , Accession A0A087YAG8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 496 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
1M50.5Low74.6Confident128 Ų12895.4 Ų95.463%0.63146%0.459SS*.  01130-159.3179.4-5300104.8L3 M6M1-L3 PolarHBondContact O-N 3.11Å; M1-M6 HydrophobicContact SD-CE 3.48Å; M1-M6 WeakPolarHBondContact SD-CE 3.45Å; M1-M6 HydrophobicContact SD-CG 4.42Å; M1-M6 HydrophobicContact SD-SD 3.8Å
2E48.6Very low76.3Confident161 Ų16194.3 Ų94.375%0.75245%0.451SS*.  trans-66.2116.8177.7-72179.5170.500107.9D4E2-D4 PolarHBondContact O-N 3.42Å
3L53.9Low77.7Confident91 Ų9190.6 Ų90.648%0.47643%0.43SS..G310 helixtrans-69.8-13.9-170.3-71.5163.9000113.1M1 R5 R83 P85M1-L3 PolarHBondContact O-N 3.11Å; L3-R5 PolarHBondContact O-N 3.34Å; L3-R83 WeakPolarHBondContact CD2-O 3.32Å; L3-P85 WeakPolarHBondContact O-CG 3.38Å
4D51.6Low78.8Confident159 Ų15988.2 Ų88.285%0.8542%0.418SS*.G310 helixtrans-86.62.7-174.8-67.5-26000114.4E2E2-D4 PolarHBondContact O-N 3.42Å
5R65.3Low79.6Confident216 Ų21683.7 Ų83.782%0.81541%0.405SS*.G310 helixtrans-146.746.8-178.7-65.2-172.9178.1177.90.4114L3L3-R5 PolarHBondContact O-N 3.34Å
6M85.9Confident80.3Confident28 Ų2880 Ų8014%0.13839%0.386CS..  trans-84.8117.1170.3-66.8-161.57100110.6M1 W11 L32 L84 F88M1-M6 HydrophobicContact SD-CE 3.48Å; M1-M6 WeakPolarHBondContact SD-CE 3.45Å; M1-M6 HydrophobicContact SD-CG 4.42Å; M1-M6 HydrophobicContact SD-SD 3.8Å; M6-W11 HydrophobicContact CE-CZ2 3.78Å; M6-L32 HydrophobicContact CE-CD1 4.33Å; M6-L84 HydrophobicContact CE-CD2 4.04Å; M6-L84 HydrophobicContact SD-CD2 3.71Å; M6-F88 HydrophobicContact CB-CB 4.31Å; M6-F88 HydrophobicContact CB-CD1 4.43Å; M6-F88 HydrophobicContact CB-CD2 3.68Å; M6-F88 HydrophobicContact CB-CE2 4.07Å; M6-F88 HydrophobicContact CB-CG 3.88Å; M6-F88 HydrophobicContact CE-CD1 4.32Å; M6-F88 HydrophobicContact CE-CE1 3.78Å; M6-F88 HydrophobicContact CE-CE2 4.18Å; M6-F88 HydrophobicContact CE-CZ 3.7Å; M6-F88 HydrophobicContact SD-CD1 4.38Å; M6-F88 HydrophobicContact SD-CE1 4.39Å
7D90.7Very high80.7Confident66 Ų6676.8 Ų76.835%0.35338%0.379SS..  trans-99125.3176-174-15.8000110.2N9 D10 W11D7-N9 PolarHBondContact O-N 3.4Å; D7-N9 WeakPolarHBondContact OD1-CB 3.19Å; D7-N9 PolarHBondContact OD1-N 3.19Å; D7-N9 PolarHBondContact OD1-ND2 3.36Å; D7-D10 PolarHBondContact O-N 2.99Å; D7-W11 VanDerWaalsContact O-CD1 3.3Å
8E92.1Very high81Confident50 Ų5077.2 Ų77.223%0.23438%0.383CS..G310 helixtrans-61.3-21.1175.570.3-78.8-177.900113D10 W11 F88 Q91 L92 K95E8-D10 PolarHBondContact O-N 3.46Å; E8-W11 PolarHBondContact O-N 3.08Å; E8-F88 HydrophobicContact CB-CD2 4.36Å; E8-F88 HydrophobicContact CB-CE2 4.32Å; E8-Q91 HydrophobicContact CB-CB 4.29Å; E8-Q91 HydrophobicContact CG-CB 3.95Å; E8-L92 HydrophobicContact CB-CB 4.27Å; E8-L92 HydrophobicContact CB-CD1 4.47Å; E8-K95 HydrophobicContact CG-CD 4.26Å; E8-K95 PolarHBondContact O-NZ 2.9Å
9N93.6Very high81.4Confident96 Ų9679.4 Ų79.451%0.51339%0.39SS..G310 helixtrans-66.7-27.4177.8-64.3-60.1000113D7 W11 K95D7-N9 PolarHBondContact O-N 3.4Å; D7-N9 WeakPolarHBondContact OD1-CB 3.19Å; D7-N9 PolarHBondContact OD1-N 3.19Å; D7-N9 PolarHBondContact OD1-ND2 3.36Å; N9-W11 PolarHBondContact O-N 2.7Å; N9-K95 VanDerWaalsContact CA-NZ 3.26Å; N9-K95 PolarHBondContact O-NZ 3.38Å
10D93.9Very high82Confident51 Ų5176 Ų7627%0.27337%0.374SS..G310 helixtrans-76.3-1.9176.7-69.4-36000114.1D7 E8 H25 V26D7-D10 PolarHBondContact O-N 2.99Å; E8-D10 PolarHBondContact O-N 3.46Å; D10-H25 CarbonylContact O-C 3.5Å; D10-H25 VanDerWaalsContact O-CA 3.31Å; D10-H25 WeakPolarHBondContact O-CA 3.41Å; D10-V26 HydrophobicContact CB-CG2 4.25Å; D10-V26 WeakPolarHBondContact O-CG1 3.5Å; D10-V26 WeakPolarHBondContact O-CG2 3.49Å; D10-V26 PolarHBondContact O-N 3.24Å
11W95Very high82.7Confident3 Ų372.3 Ų72.31%0.01136%0.357CS..EExtended strand (participates in β ladder)trans-120.7142.5-177.9-6083.1000111.8M6 D7 E8 N9 V23 S24 H25 L32 F88 L92 K95M6-W11 HydrophobicContact CE-CZ2 3.78Å; D7-W11 VanDerWaalsContact O-CD1 3.3Å; E8-W11 PolarHBondContact O-N 3.08Å; N9-W11 PolarHBondContact O-N 2.7Å; W11-V23 HydrophobicContact CB-CB 4.47Å; W11-V23 HydrophobicContact CB-CG2 4.47Å; W11-V23 HydrophobicContact CD2-CG2 4.32Å; W11-V23 HydrophobicContact CE3-CB 4.35Å; W11-V23 HydrophobicContact CE3-CG2 3.68Å; W11-V23 HydrophobicContact CZ3-CG2 4.36Å; W11-S24 WeakPolarHBondContact CA-O 3.47Å; W11-H25 HydrophobicContact CD2-CB 4.32Å; W11-H25 AromaticContact CE2-CD2 3.72Å; W11-H25 HydrophobicContact CE3-CB 3.97Å; W11-H25 HydrophobicContact CH2-CB 3.92Å; W11-H25 HydrophobicContact CZ2-CB 4.28Å; W11-H25 AromaticContact CZ2-CD2 3.57Å; W11-H25 HydrophobicContact CZ3-CB 3.76Å; W11-L32 HydrophobicContact CD2-CD1 4.23Å; W11-L32 HydrophobicContact CE3-CD1 4.07Å; W11-L32 HydrophobicContact CE3-CG 4.25Å; W11-L32 HydrophobicContact CH2-CD1 3.49Å; W11-L32 VanDerWaalsContact CH2-CD1 3.49Å; W11-L32 HydrophobicContact CH2-CD2 4.3Å; W11-L32 HydrophobicContact CH2-CG 3.45Å; W11-L32 VanDerWaalsContact CH2-CG 3.45Å; W11-L32 HydrophobicContact CZ2-CD1 3.64Å; W11-L32 HydrophobicContact CZ2-CG 4.14Å; W11-L32 HydrophobicContact CZ3-CB 4.16Å; W11-L32 HydrophobicContact CZ3-CD1 3.71Å; W11-L32 HydrophobicContact CZ3-CG 3.52Å; W11-F88 AromaticContact CD1-CE2 3.57Å; W11-F88 AromaticContact CD1-CZ 3.58Å; W11-F88 HydrophobicContact CD2-CZ 4.44Å; W11-F88 HydrophobicContact CG-CE2 4.43Å; W11-F88 HydrophobicContact CG-CZ 4.11Å; W11-F88 AromaticContact NE1-CE2 3.74Å; W11-F88 AromaticContact NE1-CZ 3.57Å; W11-L92 HydrophobicContact CB-CD1 3.8Å; W11-K95 WeakPolarHBondContact O-CE 3.21Å; W11-K95 PolarHBondContact O-NZ 2.95Å
12K94.2Very high84.9Confident83 Ų8367.6 Ų67.636%0.36134%0.335SS..EExtended strand (participates in β ladder)trans-128149.8175.365.4-177.4178.8-176.20111H14 V23 S24K12-H14 PolarHBondContact O-N 2.99Å; K12-V23 CarbonylContact O-C 3.57Å; K12-V23 VanDerWaalsContact O-CA 3.23Å; K12-V23 WeakPolarHBondContact O-CA 3.5Å; K12-V23 WeakPolarHBondContact O-CB 3.38Å; K12-S24 WeakPolarHBondContact CE-OG 3.44Å; K12-S24 WeakPolarHBondContact CG-OG 3.25Å; K12-S24 PolarHBondContact N-O 2.95Å; K12-S24 PolarHBondContact O-N 3.33Å
13Y94.9Very high87.1Confident46 Ų4659.9 Ų59.918%0.1830%0.299CS..EExtended strand (participates in β ladder)trans-57.8130.2171.6176.3-100.4000110E16 L21 Q99 R100 P101Y13-E16 HydrophobicContact CE2-CB 4.29Å; Y13-E16 HydrophobicContact CE2-CG 4.4Å; Y13-E16 WeakPolarHBondContact OH-CG 3.22Å; Y13-E16 PolarHBondContact OH-N 3.15Å; Y13-E16 PolarHBondContact OH-OE1 2.8Å; Y13-L21 HydrophobicContact CD2-CD1 4.4Å; Y13-L21 HydrophobicContact CE2-CD1 4.2Å; Y13-L21 HydrophobicContact CE2-CG 4.34Å; Y13-Q99 HydrophobicContact CD1-CB 4.2Å; Y13-Q99 HydrophobicContact CG-CB 4.1Å; Y13-R100 HydrophobicContact CD2-CG 4.26Å; Y13-R100 HydrophobicContact CE2-CG 4.01Å; Y13-P101 WeakPolarHBondContact OH-CD 3.39Å
14H92.8Very high89.1Confident57 Ų5755.6 Ų55.626%0.26428%0.276SS..EExtended strand (participates in β ladder)trans-110.7-41-179.9-169.977.3000111.6K12 V22 T123K12-H14 PolarHBondContact O-N 2.99Å; H14-V22 HydrophobicContact CB-CB 4.36Å; H14-V22 HydrophobicContact CB-CG1 4.1Å; H14-V22 WeakPolarHBondContact CB-O 3.29Å; H14-V22 PolarHBondContact N-O 2.91Å; H14-T123 PolarHBondContact CE1-OG1 3.36Å; H14-T123 VanDerWaalsContact CE1-OG1 3.32Å
15G90.8Very high91.1Very high21 Ų2149.1 Ų49.122%0.21624%0.241CC..EExtended strand (participates in β ladder)trans168.1169.7177.400000112.1V22G15-V22 PolarHBondContact N-O 3.12Å; G15-V22 PolarHBondContact O-N 3.47Å
16E91Very high92.2Very high24 Ų2442.4 Ų42.411%0.11222%0.224CC..EExtended strand (participates in β ladder)trans-146.1148.9176.672.6-174.7111.100113.8Y13 L21 K36 R100 R104Y13-E16 HydrophobicContact CE2-CB 4.29Å; Y13-E16 HydrophobicContact CE2-CG 4.4Å; Y13-E16 WeakPolarHBondContact OH-CG 3.22Å; Y13-E16 PolarHBondContact OH-N 3.15Å; Y13-E16 PolarHBondContact OH-OE1 2.8Å; E16-L21 HydrophobicContact CB-CB 4.18Å; E16-L21 HydrophobicContact CB-CD1 4.46Å; E16-L21 HydrophobicContact CB-CG 4.19Å; E16-K36 WeakPolarHBondContact OE2-CE 3.38Å; E16-K36 IonicContact OE2-NZ 2.69Å; E16-K36 PolarHBondContact OE2-NZ 3.22Å; E16-R100 WeakPolarHBondContact OE1-CB 3.46Å; E16-R100 WeakPolarHBondContact OE1-CG 3.24Å; E16-R100 IonicContact OE1-CZ 3.58Å; E16-R100 IonicContact OE1-NE 2.79Å; E16-R100 PolarHBondContact OE1-NE 2.92Å; E16-R100 IonicContact OE1-NH2 2.77Å; E16-R100 IonicContact OE2-CZ 3.47Å; E16-R100 IonicContact OE2-NE 3.5Å; E16-R100 PolarHBondContact OE2-NE 3.3Å; E16-R100 IonicContact OE2-NH2 3.62Å; E16-R100 PolarHBondContact OE2-NH2 3.48Å; E16-R104 HydrophobicContact CG-CB 3.86Å; E16-R104 HydrophobicContact CG-CG 3.78Å; E16-R104 WeakPolarHBondContact OE2-CB 3.27Å
17G86.9Confident92.1Very high26 Ų2647.9 Ų47.927%0.26825%0.249SC..  trans-104.4-167.3169.200000111.9K19 S20 K36G17-K19 VanDerWaalsContact C-N 3.32Å; G17-S20 PolarHBondContact N-O 3.31Å; G17-K36 PolarHBondContact O-NZ 3.23Å; G17-K36 VanDerWaalsContact O-NZ 3.17Å
18N85.5Confident91.9Very high84 Ų8449.7 Ų49.745%0.44926%0.255SS..SBendtrans-75.6-20.2177.6-170.441.7000113.5K107N18-K107 PolarHBondContact ND2-NZ 3.01Å; N18-K107 WeakPolarHBondContact O-CD 3.15Å; N18-K107 WeakPolarHBondContact O-CE 3.42Å; N18-K107 PolarHBondContact O-NZ 3.39Å; N18-K107 VanDerWaalsContact OD1-CE 3.28Å; N18-K107 WeakPolarHBondContact OD1-CE 3.39Å; N18-K107 PolarHBondContact OD1-NZ 3.13Å; N18-K107 VanDerWaalsContact OD1-NZ 3.08Å
19K89.1Confident91.7Very high118 Ų11848.5 Ų48.551%0.51325%0.252SS..SBendtrans-119.8-12.7-174.1-69.6-168.1171.5-163.90114G17 K36G17-K19 VanDerWaalsContact C-N 3.32Å; K19-K36 PolarHBondContact O-N 2.96Å
20S93.9Very high91.7Very high11 Ų1149 Ų498%0.07725%0.246CC..EExtended strand (participates in β ladder)trans-152.9155.3-174.344.60000111.5G17 R33 L34G17-S20 PolarHBondContact N-O 3.31Å; S20-R33 PolarHBondContact OG-NE 2.84Å; S20-R33 PolarHBondContact OG-NH2 3.31Å; S20-L34 CarbonylContact C-O 3.51Å; S20-L34 WeakPolarHBondContact CA-O 3.28Å; S20-L34 WeakPolarHBondContact CB-O 3.1Å
21L95.8Very high91.8Very high0 Ų047.1 Ų47.10%024%0.237CC..EExtended strand (participates in β ladder)trans-119.9143.3175.7-178.8147.8000108.5Y13 E16 V23 R33 L34 K36 I96 R100 M109Y13-L21 HydrophobicContact CD2-CD1 4.4Å; Y13-L21 HydrophobicContact CE2-CD1 4.2Å; Y13-L21 HydrophobicContact CE2-CG 4.34Å; E16-L21 HydrophobicContact CB-CB 4.18Å; E16-L21 HydrophobicContact CB-CD1 4.46Å; E16-L21 HydrophobicContact CB-CG 4.19Å; L21-V23 HydrophobicContact CD2-CG1 3.75Å; L21-R33 CarbonylContact O-C 3.52Å; L21-R33 WeakPolarHBondContact O-CA 3.46Å; L21-L34 HydrophobicContact CD2-CD1 4.34Å; L21-L34 PolarHBondContact N-O 2.97Å; L21-L34 PolarHBondContact O-N 3.06Å; L21-K36 HydrophobicContact CB-CD 4.19Å; L21-K36 HydrophobicContact CB-CG 4.23Å; L21-I96 HydrophobicContact CD1-CD1 3.85Å; L21-I96 HydrophobicContact CD2-CD1 3.46Å; L21-I96 VanDerWaalsContact CD2-CD1 3.46Å; L21-I96 HydrophobicContact CG-CD1 4.31Å; L21-R100 HydrophobicContact CD1-CG 4.24Å; L21-M109 HydrophobicContact CD2-SD 4.14Å
22V96.6Very high91.9Very high28 Ų2847 Ų4717%0.1724%0.236CC..EExtended strand (participates in β ladder)trans-120.4129.3-179.1-173.50000109.7H14 G15 V31 L32 R33H14-V22 HydrophobicContact CB-CB 4.36Å; H14-V22 HydrophobicContact CB-CG1 4.1Å; H14-V22 WeakPolarHBondContact CB-O 3.29Å; H14-V22 PolarHBondContact N-O 2.91Å; G15-V22 PolarHBondContact N-O 3.12Å; G15-V22 PolarHBondContact O-N 3.47Å; V22-V31 HydrophobicContact CG1-CB 3.7Å; V22-V31 HydrophobicContact CG1-CG1 4.21Å; V22-V31 HydrophobicContact CG1-CG2 3.96Å; V22-L32 WeakPolarHBondContact CA-O 3.16Å; V22-R33 HydrophobicContact CG2-CB 4.2Å; V22-R33 HydrophobicContact CG2-CG 4.03Å
23V96.6Very high92.1Very high0 Ų044.7 Ų44.70%023%0.226CC..EExtended strand (participates in β ladder)trans-114.1145.4167.1-620000109.7W11 K12 L21 V31 L32 L34 L92 I96W11-V23 HydrophobicContact CB-CB 4.47Å; W11-V23 HydrophobicContact CB-CG2 4.47Å; W11-V23 HydrophobicContact CD2-CG2 4.32Å; W11-V23 HydrophobicContact CE3-CB 4.35Å; W11-V23 HydrophobicContact CE3-CG2 3.68Å; W11-V23 HydrophobicContact CZ3-CG2 4.36Å; K12-V23 CarbonylContact O-C 3.57Å; K12-V23 VanDerWaalsContact O-CA 3.23Å; K12-V23 WeakPolarHBondContact O-CA 3.5Å; K12-V23 WeakPolarHBondContact O-CB 3.38Å; L21-V23 HydrophobicContact CD2-CG1 3.75Å; V23-V31 CarbonylContact O-C 3.54Å; V23-V31 WeakPolarHBondContact O-CA 3.31Å; V23-V31 VanDerWaalsContact O-CB 3.27Å; V23-V31 WeakPolarHBondContact O-CB 3.37Å; V23-L32 HydrophobicContact CG2-CB 3.76Å; V23-L32 HydrophobicContact CG2-CD1 4.47Å; V23-L32 PolarHBondContact N-O 2.69Å; V23-L32 PolarHBondContact O-N 3.05Å; V23-L34 HydrophobicContact CG2-CD1 4.09Å; V23-L92 HydrophobicContact CG1-CD1 4.32Å; V23-L92 HydrophobicContact CG1-CD2 4.25Å; V23-L92 HydrophobicContact CG2-CD2 4.01Å; V23-I96 HydrophobicContact CG1-CD1 3.88Å; V23-I96 HydrophobicContact CG1-CG2 4.32Å
24S94.8Very high92.2Very high0 Ų042.6 Ų42.60%022%0.217CC..EExtended strand (participates in β ladder)trans-112.3140.4177.260.60000110.7W11 K12W11-S24 WeakPolarHBondContact CA-O 3.47Å; K12-S24 WeakPolarHBondContact CE-OG 3.44Å; K12-S24 WeakPolarHBondContact CG-OG 3.25Å; K12-S24 PolarHBondContact N-O 2.95Å; K12-S24 PolarHBondContact O-N 3.33Å
25H93.5Very high92.2Very high23 Ų2340.6 Ų40.611%0.10621%0.209CC..EExtended strand (participates in β ladder)trans-71.3145.5173.2-166.7-62.2000110.2D10 W11 Q27 H28 R30D10-H25 CarbonylContact O-C 3.5Å; D10-H25 VanDerWaalsContact O-CA 3.31Å; D10-H25 WeakPolarHBondContact O-CA 3.41Å; W11-H25 HydrophobicContact CD2-CB 4.32Å; W11-H25 AromaticContact CE2-CD2 3.72Å; W11-H25 HydrophobicContact CE3-CB 3.97Å; W11-H25 HydrophobicContact CH2-CB 3.92Å; W11-H25 HydrophobicContact CZ2-CB 4.28Å; W11-H25 AromaticContact CZ2-CD2 3.57Å; W11-H25 HydrophobicContact CZ3-CB 3.76Å; H25-Q27 PolarHBondContact ND1-N 2.98Å; H25-H28 HydrophobicContact CB-CB 4.28Å; H25-H28 WeakPolarHBondContact CB-O 3.36Å; H25-H28 AromaticContact CD2-CD2 3.91Å; H25-H28 AromaticContact CE1-CD2 3.34Å; H25-H28 PolarHBondContact CE1-CD2 2.9Å; H25-H28 AromaticContact CE1-CG 3.98Å; H25-H28 AromaticContact ND1-CD2 3.81Å; H25-H28 PolarHBondContact ND1-N 3.42Å; H25-H28 VanDerWaalsContact ND1-N 3.13Å; H25-H28 AromaticContact NE2-CD2 3.37Å; H25-H28 PolarHBondContact NE2-CD2 3.33Å; H25-R30 PolarHBondContact N-O 2.93Å
26V88.6Confident92.4Very high75 Ų7540.5 Ų40.546%0.45520%0.202SC..SBendtrans-75.6-43.3-176-65.10000113.3D10D10-V26 HydrophobicContact CB-CG2 4.25Å; D10-V26 WeakPolarHBondContact O-CG1 3.5Å; D10-V26 WeakPolarHBondContact O-CG2 3.49Å; D10-V26 PolarHBondContact O-N 3.24Å
27Q83.4Confident92.2Very high143 Ų14340.1 Ų40.167%0.66820%0.2SC*.SBendtrans-94.9-34179.1-69.5169.113.400114.6H25H25-Q27 PolarHBondContact ND1-N 2.98Å
28H86.5Confident92.1Very high105 Ų10541.4 Ų41.449%0.48620%0.203SC..SBendtrans-100.8146.2-175.9-58-47.1000111.9H25 R30H25-H28 HydrophobicContact CB-CB 4.28Å; H25-H28 WeakPolarHBondContact CB-O 3.36Å; H25-H28 AromaticContact CD2-CD2 3.91Å; H25-H28 AromaticContact CE1-CD2 3.34Å; H25-H28 PolarHBondContact CE1-CD2 2.9Å; H25-H28 AromaticContact CE1-CG 3.98Å; H25-H28 AromaticContact ND1-CD2 3.81Å; H25-H28 PolarHBondContact ND1-N 3.42Å; H25-H28 VanDerWaalsContact ND1-N 3.13Å; H25-H28 AromaticContact NE2-CD2 3.37Å; H25-H28 PolarHBondContact NE2-CD2 3.33Å; H28-R30 PolarHBondContact O-N 2.94Å
29C88.4Confident91.9Very high24 Ų2439.2 Ų39.216%0.16220%0.197CC..SBendtrans-80.858179.3-61.20000111.9P120 N121 S124 T126C29-P120 WeakPolarHBondContact O-CA 3.28Å; C29-N121 HydrophobicContact CB-CB 4.44Å; C29-N121 PolarHBondContact O-N 3.11Å; C29-S124 PolarHBondContact SG-O 3.22Å; C29-T126 HydrophobicContact CB-CG2 4.03Å; C29-T126 WeakPolarHBondContact CB-OG1 3.33Å; C29-T126 VanDerWaalsContact SG-CB 3.53Å; C29-T126 WeakPolarHBondContact SG-CG2 3.46Å; C29-T126 PolarHBondContact SG-N 3Å; C29-T126 PolarHBondContact SG-OG1 3.5Å
30R93.2Very high91.4Very high107 Ų10742.2 Ų42.240%0.40421%0.213SC..EExtended strand (participates in β ladder)trans-130.9151179.2-64.1-176.1-178.9-139.40.4110.8H25 H28 E80 L119H25-R30 PolarHBondContact N-O 2.93Å; H28-R30 PolarHBondContact O-N 2.94Å; R30-E80 IonicContact NH1-OE1 3.6Å; R30-L119 CarbonylContact C-O 3.57Å; R30-L119 WeakPolarHBondContact CA-O 3.44Å
31V96Very high90.5Very high12 Ų1245.4 Ų45.47%0.07323%0.229CC..EExtended strand (participates in β ladder)trans-126.5147.2170.3-55.70000109.8V22 V23 L119 N121V22-V31 HydrophobicContact CG1-CB 3.7Å; V22-V31 HydrophobicContact CG1-CG1 4.21Å; V22-V31 HydrophobicContact CG1-CG2 3.96Å; V23-V31 CarbonylContact O-C 3.54Å; V23-V31 WeakPolarHBondContact O-CA 3.31Å; V23-V31 VanDerWaalsContact O-CB 3.27Å; V23-V31 WeakPolarHBondContact O-CB 3.37Å; V31-L119 HydrophobicContact CG2-CB 3.67Å; V31-L119 PolarHBondContact N-O 3.45Å; V31-L119 PolarHBondContact O-N 2.94Å; V31-N121 HydrophobicContact CG1-CB 3.73Å
32L97.7Very high89.1Confident0 Ų047.9 Ų47.90%025%0.246CC..EExtended strand (participates in β ladder)trans-105.5127.3166.8-65.6169.4000108.2M6 W11 V22 V23 L34 V82 L84 F88 A116 C118M6-L32 HydrophobicContact CE-CD1 4.33Å; W11-L32 HydrophobicContact CD2-CD1 4.23Å; W11-L32 HydrophobicContact CE3-CD1 4.07Å; W11-L32 HydrophobicContact CE3-CG 4.25Å; W11-L32 HydrophobicContact CH2-CD1 3.49Å; W11-L32 VanDerWaalsContact CH2-CD1 3.49Å; W11-L32 HydrophobicContact CH2-CD2 4.3Å; W11-L32 HydrophobicContact CH2-CG 3.45Å; W11-L32 VanDerWaalsContact CH2-CG 3.45Å; W11-L32 HydrophobicContact CZ2-CD1 3.64Å; W11-L32 HydrophobicContact CZ2-CG 4.14Å; W11-L32 HydrophobicContact CZ3-CB 4.16Å; W11-L32 HydrophobicContact CZ3-CD1 3.71Å; W11-L32 HydrophobicContact CZ3-CG 3.52Å; V22-L32 WeakPolarHBondContact CA-O 3.16Å; V23-L32 HydrophobicContact CG2-CB 3.76Å; V23-L32 HydrophobicContact CG2-CD1 4.47Å; V23-L32 PolarHBondContact N-O 2.69Å; V23-L32 PolarHBondContact O-N 3.05Å; L32-L34 HydrophobicContact CB-CD1 4.23Å; L32-V82 HydrophobicContact CD2-CG2 3.74Å; L32-L84 HydrophobicContact CD1-CD1 4.08Å; L32-L84 HydrophobicContact CD1-CD2 4.18Å; L32-L84 HydrophobicContact CD2-CD2 4.48Å; L32-F88 HydrophobicContact CD1-CE1 4.26Å; L32-F88 HydrophobicContact CD1-CZ 4.44Å; L32-A116 HydrophobicContact CB-CB 4.36Å; L32-A116 HydrophobicContact CD2-CB 4.15Å; L32-C118 HydrophobicContact CD2-CB 4.15Å
33R97.8Very high87.7Confident35 Ų3554.7 Ų54.713%0.13228%0.276CS..EExtended strand (participates in β ladder)trans-107.1110.2173.9-179.9176.3-174.1-1331.9109S20 L21 V22 L117 L119 D442S20-R33 PolarHBondContact OG-NE 2.84Å; S20-R33 PolarHBondContact OG-NH2 3.31Å; L21-R33 CarbonylContact O-C 3.52Å; L21-R33 WeakPolarHBondContact O-CA 3.46Å; V22-R33 HydrophobicContact CG2-CB 4.2Å; V22-R33 HydrophobicContact CG2-CG 4.03Å; R33-L117 HydrophobicContact CB-CB 4.2Å; R33-L117 PolarHBondContact N-O 3.5Å; R33-L117 PolarHBondContact O-N 2.57Å; R33-L119 HydrophobicContact CB-CD1 4.48Å; R33-D442 IonicContact CZ-OD1 2.75Å; R33-D442 IonicContact CZ-OD2 3.34Å; R33-D442 VanDerWaalsContact NH1-CG 3.33Å; R33-D442 IonicContact NH1-OD1 3.49Å; R33-D442 PolarHBondContact NH1-OD1 2.94Å; R33-D442 IonicContact NH1-OD2 3.88Å; R33-D442 PolarHBondContact NH1-OD2 2.88Å; R33-D442 IonicContact NH2-OD1 3.73Å; R33-D442 PolarHBondContact NH2-OD1 3.06Å; R33-D442 IonicContact NH2-OD2 2.68Å; R33-D442 PolarHBondContact NH2-OD2 3.33Å
34L96.6Very high86.3Confident2 Ų260.4 Ų60.41%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-98.4150.2-178.7-59.1102.1000110.5S20 L21 V23 L32 L84 V89 M109 A116S20-L34 CarbonylContact C-O 3.51Å; S20-L34 WeakPolarHBondContact CA-O 3.28Å; S20-L34 WeakPolarHBondContact CB-O 3.1Å; L21-L34 HydrophobicContact CD2-CD1 4.34Å; L21-L34 PolarHBondContact N-O 2.97Å; L21-L34 PolarHBondContact O-N 3.06Å; V23-L34 HydrophobicContact CG2-CD1 4.09Å; L32-L34 HydrophobicContact CB-CD1 4.23Å; L34-L84 HydrophobicContact CD2-CD1 4.48Å; L34-V89 HydrophobicContact CD2-CG1 4.05Å; L34-M109 HydrophobicContact CB-CG 3.98Å; L34-M109 HydrophobicContact CB-SD 4.3Å; L34-M109 HydrophobicContact CD1-SD 4.14Å; L34-M109 HydrophobicContact CD2-CE 4.36Å; L34-M109 HydrophobicContact CD2-CG 4.25Å; L34-M109 HydrophobicContact CD2-SD 3.93Å; L34-M109 HydrophobicContact CG-SD 4.34Å; L34-A116 HydrophobicContact CG-CB 4.18Å
35L94.7Very high85Confident15 Ų1564 Ų648%0.07933%0.33CS..EExtended strand (participates in β ladder)trans-72.9157176.5-62.6176.5000111.2A52 I56 D110L35-A52 HydrophobicContact CD1-CB 4.23Å; L35-I56 HydrophobicContact CD1-CD1 4.22Å; L35-I56 HydrophobicContact CD1-CG1 4.08Å; L35-I56 HydrophobicContact CD2-CG1 4.32Å; L35-I56 HydrophobicContact CG-CD1 4.24Å; L35-I56 HydrophobicContact CG-CG1 4.24Å; L35-D110 HydrophobicContact CB-CB 4.13Å; L35-D110 PolarHBondContact O-N 3.43Å
36K93.1Very high84.1Confident19 Ų1965.8 Ų65.88%0.08334%0.344CS..EExtended strand (participates in β ladder)trans-127.5147172.5-65.9176.558.6178.50111.3E16 G17 K19 L21 R104 K107 V108E16-K36 WeakPolarHBondContact OE2-CE 3.38Å; E16-K36 IonicContact OE2-NZ 2.69Å; E16-K36 PolarHBondContact OE2-NZ 3.22Å; G17-K36 PolarHBondContact O-NZ 3.23Å; G17-K36 VanDerWaalsContact O-NZ 3.17Å; K19-K36 PolarHBondContact O-N 2.96Å; L21-K36 HydrophobicContact CB-CD 4.19Å; L21-K36 HydrophobicContact CB-CG 4.23Å; K36-R104 PolarHBondContact NZ-O 3.07Å; K36-R104 VanDerWaalsContact NZ-O 3.11Å; K36-K107 HydrophobicContact CB-CB 4.3Å; K36-V108 WeakPolarHBondContact CA-O 3.04Å; K36-V108 WeakPolarHBondContact CB-O 3.35Å
37Y87.7Confident83.9Confident16 Ų1664.4 Ų64.46%0.06333%0.332CS..EExtended strand (participates in β ladder)trans-132.4159.7172.951.3-98.1000111.6D41 P46 K107 V108 D110 Y112Y37-D41 HydrophobicContact CD2-CB 4.32Å; Y37-P46 HydrophobicContact CD1-CG 3.52Å; Y37-P46 HydrophobicContact CD2-CG 4.12Å; Y37-P46 HydrophobicContact CE1-CG 3.94Å; Y37-P46 HydrophobicContact CG-CB 4.48Å; Y37-P46 HydrophobicContact CG-CG 3.62Å; Y37-K107 CarbonylContact O-C 3.57Å; Y37-K107 WeakPolarHBondContact O-CA 3.46Å; Y37-K107 VanDerWaalsContact O-CB 3.23Å; Y37-K107 WeakPolarHBondContact O-CB 3.47Å; Y37-V108 HydrophobicContact CD2-CG2 3.45Å; Y37-V108 VanDerWaalsContact CD2-CG2 3.45Å; Y37-V108 HydrophobicContact CE1-CG2 4.35Å; Y37-V108 HydrophobicContact CE2-CB 4.49Å; Y37-V108 HydrophobicContact CE2-CG2 3.02Å; Y37-V108 HydrophobicContact CG-CG2 4.21Å; Y37-V108 PolarHBondContact N-O 3.34Å; Y37-V108 VanDerWaalsContact N-O 3.12Å; Y37-V108 PolarHBondContact O-N 3.3Å; Y37-D110 HydrophobicContact CD1-CB 4.2Å; Y37-D110 HydrophobicContact CE1-CB 3.88Å; Y37-Y112 WeakPolarHBondContact OH-CD2 3.29Å; Y37-Y112 VanDerWaalsContact OH-CE2 3.27Å; Y37-Y112 WeakPolarHBondContact OH-CE2 3.39Å
38P85.7Confident84.2Confident52 Ų5260.9 Ų60.934%0.33832%0.321SS..EExtended strand (participates in β ladder)trans-50.9137.8174.8-24.935.5000112.2E40 D41P38-E40 PolarHBondContact O-N 3.12Å; P38-D41 WeakPolarHBondContact CD-OD2 3.48Å; P38-D41 WeakPolarHBondContact CG-OD2 3.45Å; P38-D41 PolarHBondContact O-N 3.11Å
39A80.8Confident84.4Confident38 Ų3857.2 Ų57.231%0.31431%0.308SS..G310 helixtrans-62.1-27.4179.100000112.8D41 S42 D106 V108A39-D41 PolarHBondContact O-N 3.48Å; A39-S42 WeakPolarHBondContact O-CB 3.43Å; A39-S42 PolarHBondContact O-N 2.76Å; A39-S42 PolarHBondContact O-OG 2.96Å; A39-S42 VanDerWaalsContact O-OG 3.07Å; A39-D106 WeakPolarHBondContact CB-O 3.29Å; A39-D106 PolarHBondContact N-O 3.37Å; A39-D106 VanDerWaalsContact N-O 3.08Å; A39-V108 HydrophobicContact CB-CG1 4.05Å
40E77.9Confident84.7Confident182 Ų18260.4 Ų60.485%0.8532%0.321SS*.G310 helixtrans-59.2-29.2174.6-62.4171-156.600112.3P38 S42P38-E40 PolarHBondContact O-N 3.12Å; E40-S42 VanDerWaalsContact C-N 3.29Å; E40-S42 PolarHBondContact O-N 3.34Å
41D74.4Confident84.7Confident77 Ų7759.9 Ų59.941%0.41232%0.323SS..G310 helixtrans-88.511178.4-57.1-40.7000112Y37 P38 A39 E43 N44Y37-D41 HydrophobicContact CD2-CB 4.32Å; P38-D41 WeakPolarHBondContact CD-OD2 3.48Å; P38-D41 WeakPolarHBondContact CG-OD2 3.45Å; P38-D41 PolarHBondContact O-N 3.11Å; A39-D41 PolarHBondContact O-N 3.48Å; D41-E43 VanDerWaalsContact C-N 3.28Å; D41-E43 PolarHBondContact O-N 2.99Å; D41-N44 PolarHBondContact O-N 3.14Å
42S68.4Low84.5Confident52 Ų5259.3 Ų59.336%0.36432%0.32SS..THydrogen-bonded Turntrans-70.3-20.4-17472.20000115.2A39 E40 Y112A39-S42 WeakPolarHBondContact O-CB 3.43Å; A39-S42 PolarHBondContact O-N 2.76Å; A39-S42 PolarHBondContact O-OG 2.96Å; A39-S42 VanDerWaalsContact O-OG 3.07Å; E40-S42 VanDerWaalsContact C-N 3.29Å; E40-S42 PolarHBondContact O-N 3.34Å; S42-Y112 PolarHBondContact O-OH 3.32Å
43E65.8Low84.4Confident172 Ų17262.2 Ų62.280%0.80433%0.332SS*.THydrogen-bonded Turntrans-78.4-22.7-179.4-64.4-169.4165.300112.8D41D41-E43 VanDerWaalsContact C-N 3.28Å; D41-E43 PolarHBondContact O-N 2.99Å
44N67.1Low84.3Confident120 Ų12068.1 Ų68.164%0.64236%0.355SS*.SBendtrans-127.6130.7179.2-68.9-59.7000110D41 P46D41-N44 PolarHBondContact O-N 3.14Å; N44-P46 WeakPolarHBondContact O-CD 3.34Å; N44-P46 VanDerWaalsContact O-N 3.07Å
45P67.9Low84.1Confident75 Ų7571.8 Ų71.849%0.48737%0.372SS..  trans-57.3121.7176.823.7-31.8000109.2Q47 Y112P45-Q47 PolarHBondContact O-N 2.87Å; P45-Q47 VanDerWaalsContact O-N 3.11Å; P45-Y112 HydrophobicContact CB-CD2 4.32Å; P45-Y112 HydrophobicContact CB-CG 4.17Å
46P74.1Confident84.2Confident61 Ų6171.2 Ų71.240%0.39637%0.369SS..SBendtrans-68.5-16-173.128-37.2000112.4Y37 N44Y37-P46 HydrophobicContact CD1-CG 3.52Å; Y37-P46 HydrophobicContact CD2-CG 4.12Å; Y37-P46 HydrophobicContact CE1-CG 3.94Å; Y37-P46 HydrophobicContact CG-CB 4.48Å; Y37-P46 HydrophobicContact CG-CG 3.62Å; N44-P46 WeakPolarHBondContact O-CD 3.34Å; N44-P46 VanDerWaalsContact O-N 3.07Å
47Q84.7Confident84.3Confident46 Ų4673.1 Ų73.122%0.21538%0.378CS..SBendtrans-160.4160178.962.3-174.9-5.400111.1P45 Q51 A52P45-Q47 PolarHBondContact O-N 2.87Å; P45-Q47 VanDerWaalsContact O-N 3.11Å; Q47-Q51 VanDerWaalsContact CA-OE1 3.27Å; Q47-Q51 HydrophobicContact CB-CB 3.9Å; Q47-A52 HydrophobicContact CG-CB 4.22Å
48T90.1Very high84.7Confident69 Ų6974.5 Ų74.542%0.42339%0.386SS..  trans-74.7163.9173.681.70000111.7E50 Q51 A52T48-E50 PolarHBondContact O-N 3.13Å; T48-E50 PolarHBondContact OG1-N 3.1Å; T48-E50 PolarHBondContact OG1-OE2 3.47Å; T48-E50 VanDerWaalsContact OG1-OE2 3.13Å; T48-Q51 PolarHBondContact O-N 3.3Å; T48-Q51 VanDerWaalsContact O-N 3.14Å; T48-Q51 PolarHBondContact OG1-N 2.97Å; T48-A52 PolarHBondContact O-N 3.01Å
49A91.3Very high85.2Confident27 Ų2772.9 Ų72.922%0.22337%0.374CS..Hα-helixtrans-58.2-37.1174.700000112.2A52 F53A49-A52 PolarHBondContact O-N 3.2Å; A49-F53 VanDerWaalsContact O-CB 3.28Å; A49-F53 WeakPolarHBondContact O-CB 3.47Å; A49-F53 PolarHBondContact O-N 3.37Å
50E93.5Very high86Confident92 Ų9271.7 Ų71.743%0.4336%0.364SS..Hα-helixtrans-69.7-33.4177.5-64.165.1-139.200112.4T48 R54T48-E50 PolarHBondContact O-N 3.13Å; T48-E50 PolarHBondContact OG1-N 3.1Å; T48-E50 PolarHBondContact OG1-OE2 3.47Å; T48-E50 VanDerWaalsContact OG1-OE2 3.13Å; E50-R54 WeakPolarHBondContact O-CB 3.43Å; E50-R54 WeakPolarHBondContact O-CG 3.48Å; E50-R54 PolarHBondContact O-N 3.18Å; E50-R54 PolarHBondContact O-NE 3.25Å
51Q92.6Very high86.9Confident96 Ų9664.8 Ų64.845%0.44933%0.333SS..Hα-helixtrans-71.2-45.2174.9-73.1173.2-30.900110.6Q47 T48 F53 R54 Q55Q47-Q51 VanDerWaalsContact CA-OE1 3.27Å; Q47-Q51 HydrophobicContact CB-CB 3.9Å; T48-Q51 PolarHBondContact O-N 3.3Å; T48-Q51 VanDerWaalsContact O-N 3.14Å; T48-Q51 PolarHBondContact OG1-N 2.97Å; Q51-F53 PolarHBondContact O-N 3.49Å; Q51-R54 PolarHBondContact O-N 3.33Å; Q51-Q55 WeakPolarHBondContact O-CB 3.47Å; Q51-Q55 PolarHBondContact O-N 3.24Å
52A93.3Very high88.1Confident0 Ų061.3 Ų61.30%031%0.314CS..Hα-helixtrans-60.1-45.6173.800000111.6L35 Q47 T48 A49 R54 Q55 I56 S113 C115L35-A52 HydrophobicContact CD1-CB 4.23Å; Q47-A52 HydrophobicContact CG-CB 4.22Å; T48-A52 PolarHBondContact O-N 3.01Å; A49-A52 PolarHBondContact O-N 3.2Å; A52-R54 PolarHBondContact O-N 3.38Å; A52-Q55 WeakPolarHBondContact O-CB 3.49Å; A52-Q55 PolarHBondContact O-N 3.38Å; A52-I56 WeakPolarHBondContact O-CG1 3.47Å; A52-I56 PolarHBondContact O-N 3.18Å; A52-S113 VanDerWaalsContact CB-CB 3.41Å; A52-C115 HydrophobicContact CB-CB 4.28Å
53F95.7Very high89.4Confident61 Ų6159.2 Ų59.227%0.26830%0.299SS..Hα-helixtrans-57.3-50.4175.4-174.8-83.4000111.1A49 Q51 Q55 I56 Q57 V81A49-F53 VanDerWaalsContact O-CB 3.28Å; A49-F53 WeakPolarHBondContact O-CB 3.47Å; A49-F53 PolarHBondContact O-N 3.37Å; Q51-F53 PolarHBondContact O-N 3.49Å; F53-Q55 VanDerWaalsContact C-N 3.32Å; F53-Q55 PolarHBondContact O-N 3.25Å; F53-I56 PolarHBondContact O-N 2.91Å; F53-Q57 HydrophobicContact CE1-CB 4.38Å; F53-Q57 WeakPolarHBondContact O-CB 3.21Å; F53-Q57 PolarHBondContact O-N 3.42Å; F53-V81 HydrophobicContact CD2-CB 4.44Å; F53-V81 HydrophobicContact CD2-CG1 3.59Å; F53-V81 HydrophobicContact CE2-CB 3.94Å; F53-V81 HydrophobicContact CE2-CG1 3.57Å; F53-V81 HydrophobicContact CG-CG1 4.26Å; F53-V81 HydrophobicContact CZ-CB 4.23Å; F53-V81 HydrophobicContact CZ-CG1 4.22Å
54R94.1Very high90.9Very high159 Ų15952.9 Ų52.960%0.627%0.273SS*.Hα-helixtrans-61.1-39.4177.1-81.2-177.6-98.1-170.9-10.1112.5E50 Q51 A52 I56 Q57 N58E50-R54 WeakPolarHBondContact O-CB 3.43Å; E50-R54 WeakPolarHBondContact O-CG 3.48Å; E50-R54 PolarHBondContact O-N 3.18Å; E50-R54 PolarHBondContact O-NE 3.25Å; Q51-R54 PolarHBondContact O-N 3.33Å; A52-R54 PolarHBondContact O-N 3.38Å; R54-I56 PolarHBondContact O-N 2.93Å; R54-Q57 PolarHBondContact O-N 3.04Å; R54-N58 WeakPolarHBondContact O-CB 3.5Å; R54-N58 PolarHBondContact O-N 3.04Å
55Q93.4Very high92.2Very high79 Ų7949.7 Ų49.737%0.36926%0.256SS..Hα-helixtrans-61.2-44.6176.6-177.6-174-3.300111.4Q51 A52 F53 I59Q51-Q55 WeakPolarHBondContact O-CB 3.47Å; Q51-Q55 PolarHBondContact O-N 3.24Å; A52-Q55 WeakPolarHBondContact O-CB 3.49Å; A52-Q55 PolarHBondContact O-N 3.38Å; F53-Q55 VanDerWaalsContact C-N 3.32Å; F53-Q55 PolarHBondContact O-N 3.25Å; Q55-I59 PolarHBondContact O-N 3.27Å
56I95.9Very high93.6Very high3 Ų346.1 Ų46.12%0.01523%0.233CC..Hα-helixtrans-71.9-39.6178.3-57.7174.7000110.5L35 A52 F53 R54 N58 I59 V60 V81 C115 L117L35-I56 HydrophobicContact CD1-CD1 4.22Å; L35-I56 HydrophobicContact CD1-CG1 4.08Å; L35-I56 HydrophobicContact CD2-CG1 4.32Å; L35-I56 HydrophobicContact CG-CD1 4.24Å; L35-I56 HydrophobicContact CG-CG1 4.24Å; A52-I56 WeakPolarHBondContact O-CG1 3.47Å; A52-I56 PolarHBondContact O-N 3.18Å; F53-I56 PolarHBondContact O-N 2.91Å; R54-I56 PolarHBondContact O-N 2.93Å; I56-N58 VanDerWaalsContact C-N 3.29Å; I56-N58 PolarHBondContact O-N 3.46Å; I56-I59 WeakPolarHBondContact O-CA 3.07Å; I56-I59 VanDerWaalsContact O-CB 3.32Å; I56-I59 WeakPolarHBondContact O-CB 3.43Å; I56-I59 PolarHBondContact O-N 3.07Å; I56-V60 PolarHBondContact O-N 3.18Å; I56-V81 HydrophobicContact CB-CG1 4.05Å; I56-V81 HydrophobicContact CB-CG2 4.24Å; I56-V81 HydrophobicContact CG2-CB 4.39Å; I56-V81 HydrophobicContact CG2-CG1 4.03Å; I56-V81 HydrophobicContact CG2-CG2 3.85Å; I56-C115 HydrophobicContact CD1-CB 3.88Å; I56-L117 HydrophobicContact CG2-CB 3.65Å; I56-L117 HydrophobicContact CG2-CD1 4.06Å; I56-L117 HydrophobicContact CG2-CG 4.32Å
57Q96.6Very high94.7Very high58 Ų5843.2 Ų43.227%0.27121%0.214SC..Hα-helixtrans-59.2-41.8175.7-171.361.454.300111.3F53 R54 I59 V60 D61 V81F53-Q57 HydrophobicContact CE1-CB 4.38Å; F53-Q57 WeakPolarHBondContact O-CB 3.21Å; F53-Q57 PolarHBondContact O-N 3.42Å; R54-Q57 PolarHBondContact O-N 3.04Å; Q57-I59 PolarHBondContact O-N 3.45Å; Q57-V60 CarbonylContact O-C 3.6Å; Q57-V60 WeakPolarHBondContact O-CA 3.47Å; Q57-V60 WeakPolarHBondContact O-CB 3.39Å; Q57-V60 PolarHBondContact O-N 2.9Å; Q57-D61 PolarHBondContact NE2-OD1 2.75Å; Q57-D61 VanDerWaalsContact O-CG 3.26Å; Q57-D61 PolarHBondContact O-N 3.39Å; Q57-V81 HydrophobicContact CB-CG2 4.13Å; Q57-V81 VanDerWaalsContact OE1-CG2 3.31Å
58N95.6Very high95.2Very high45 Ų4541.6 Ų41.624%0.24121%0.208CC..Hα-helixtrans-58.9-33173.3-83.7-10.3000113R54 I56 F62 D358 Y361R54-N58 WeakPolarHBondContact O-CB 3.5Å; R54-N58 PolarHBondContact O-N 3.04Å; I56-N58 VanDerWaalsContact C-N 3.29Å; I56-N58 PolarHBondContact O-N 3.46Å; N58-F62 WeakPolarHBondContact O-CB 3.47Å; N58-F62 PolarHBondContact O-N 3.5Å; N58-D358 PolarHBondContact ND2-O 3.45Å; N58-D358 VanDerWaalsContact ND2-O 3.08Å; N58-Y361 HydrophobicContact CB-CD2 4.3Å; N58-Y361 HydrophobicContact CB-CE2 4.01Å; N58-Y361 VanDerWaalsContact O-CD2 3.28Å; N58-Y361 WeakPolarHBondContact O-CD2 3.37Å
59I96.9Very high95.4Very high18 Ų1841.2 Ų41.29%0.09221%0.208CC..Hα-helixtrans-68.9-43.6173.3-62.5167.5000110.1Q55 I56 Q57 T63 L117Q55-I59 PolarHBondContact O-N 3.27Å; I56-I59 WeakPolarHBondContact O-CA 3.07Å; I56-I59 VanDerWaalsContact O-CB 3.32Å; I56-I59 WeakPolarHBondContact O-CB 3.43Å; I56-I59 PolarHBondContact O-N 3.07Å; Q57-I59 PolarHBondContact O-N 3.45Å; I59-T63 VanDerWaalsContact O-CB 3.3Å; I59-T63 WeakPolarHBondContact O-CB 2.99Å; I59-T63 PolarHBondContact O-N 2.71Å; I59-T63 PolarHBondContact O-OG1 2.83Å; I59-L117 HydrophobicContact CG2-CD2 4.2Å
60V97.3Very high95.6Very high14 Ų1441.6 Ų41.69%0.08521%0.206CC..Hα-helixtrans-60.9-52.2177.2176.80000110.2I56 Q57 F62 T63 S64 V81 L117I56-V60 PolarHBondContact O-N 3.18Å; Q57-V60 CarbonylContact O-C 3.6Å; Q57-V60 WeakPolarHBondContact O-CA 3.47Å; Q57-V60 WeakPolarHBondContact O-CB 3.39Å; Q57-V60 PolarHBondContact O-N 2.9Å; V60-F62 PolarHBondContact O-N 3.45Å; V60-T63 CarbonylContact O-C 3.56Å; V60-T63 PolarHBondContact O-N 2.91Å; V60-S64 WeakPolarHBondContact O-CB 3.33Å; V60-S64 PolarHBondContact O-N 2.74Å; V60-S64 PolarHBondContact O-OG 3.07Å; V60-V81 HydrophobicContact CG2-CG2 3.83Å; V60-L117 HydrophobicContact CG2-CD1 3.53Å
61D97.1Very high95.6Very high37 Ų3737.3 Ų37.320%0.19819%0.185CC..Hα-helixtrans-61.3-44.2-178.4-63.6-13.7000111.6Q57 T63 S64 N65Q57-D61 PolarHBondContact NE2-OD1 2.75Å; Q57-D61 VanDerWaalsContact O-CG 3.26Å; Q57-D61 PolarHBondContact O-N 3.39Å; D61-T63 VanDerWaalsContact C-N 3.28Å; D61-T63 PolarHBondContact O-N 3.33Å; D61-S64 PolarHBondContact O-N 3.11Å; D61-S64 PolarHBondContact O-OG 2.9Å; D61-N65 WeakPolarHBondContact O-CB 3.34Å; D61-N65 VanDerWaalsContact O-CG 3.29Å; D61-N65 PolarHBondContact O-N 3.08Å; D61-N65 PolarHBondContact O-ND2 3.26Å
62F97.9Very high95.6Very high4 Ų433.3 Ų33.32%0.01817%0.17CC..Iπ-helixtrans-61.4-40.4174.7-176.7-101.8000111.4N58 V60 V66 M67 Y361 I392 T395 L441 P443N58-F62 WeakPolarHBondContact O-CB 3.47Å; N58-F62 PolarHBondContact O-N 3.5Å; V60-F62 PolarHBondContact O-N 3.45Å; F62-V66 HydrophobicContact CD2-CB 4.07Å; F62-V66 HydrophobicContact CD2-CG1 4.37Å; F62-V66 HydrophobicContact CD2-CG2 4.04Å; F62-V66 HydrophobicContact CE2-CB 4.15Å; F62-V66 HydrophobicContact CE2-CG1 3.94Å; F62-V66 HydrophobicContact CE2-CG2 4.37Å; F62-V66 HydrophobicContact CZ-CG1 4.37Å; F62-V66 WeakPolarHBondContact O-CA 3.38Å; F62-V66 VanDerWaalsContact O-CB 3.25Å; F62-V66 WeakPolarHBondContact O-CB 3.43Å; F62-V66 PolarHBondContact O-N 3.48Å; F62-V66 VanDerWaalsContact O-N 3.13Å; F62-M67 HydrophobicContact CD1-CG 3.8Å; F62-M67 HydrophobicContact CE1-CG 3.41Å; F62-M67 VanDerWaalsContact CE1-CG 3.41Å; F62-M67 HydrophobicContact CE1-SD 3.66Å; F62-M67 HydrophobicContact CZ-CG 4.07Å; F62-M67 HydrophobicContact CZ-SD 3.79Å; F62-M67 PolarHBondContact O-N 2.9Å; F62-Y361 HydrophobicContact CB-CD2 3.67Å; F62-Y361 HydrophobicContact CB-CE2 4.2Å; F62-Y361 HydrophobicContact CB-CG 3.87Å; F62-Y361 AromaticContact CD2-CD1 3.72Å; F62-Y361 HydrophobicContact CD2-CD1 3.72Å; F62-Y361 HydrophobicContact CD2-CD2 4.27Å; F62-Y361 HydrophobicContact CD2-CE1 4.04Å; F62-Y361 AromaticContact CD2-CG 3.83Å; F62-Y361 HydrophobicContact CD2-CG 3.83Å; F62-Y361 HydrophobicContact CE2-CD1 4.5Å; F62-Y361 HydrophobicContact CG-CD2 4.42Å; F62-Y361 HydrophobicContact CG-CG 4.35Å; F62-I392 HydrophobicContact CE2-CG1 3.86Å; F62-I392 HydrophobicContact CZ-CG1 3.89Å; F62-T395 HydrophobicContact CE1-CG2 4.19Å; F62-L441 VanDerWaalsContact CD1-O 3.23Å; F62-L441 WeakPolarHBondContact CD1-O 3.45Å; F62-L441 VanDerWaalsContact CE1-O 3.3Å; F62-L441 WeakPolarHBondContact CE1-O 3.36Å; F62-P443 HydrophobicContact CB-CB 4.47Å; F62-P443 HydrophobicContact CB-CG 4.18Å; F62-P443 HydrophobicContact CD1-CB 3.96Å; F62-P443 HydrophobicContact CD1-CG 4.23Å; F62-P443 HydrophobicContact CD2-CB 3.96Å; F62-P443 HydrophobicContact CE1-CB 4.13Å; F62-P443 HydrophobicContact CE2-CB 4.14Å; F62-P443 HydrophobicContact CG-CB 3.86Å; F62-P443 HydrophobicContact CG-CG 4.07Å; F62-P443 HydrophobicContact CZ-CB 4.22Å
63T97.1Very high95.5Very high8 Ų840.8 Ų40.85%0.04921%0.205CC..Iπ-helixtrans-70.9-44.5-179.3-55.50000111.3I59 V60 D61 S68 V76 L441I59-T63 VanDerWaalsContact O-CB 3.3Å; I59-T63 WeakPolarHBondContact O-CB 2.99Å; I59-T63 PolarHBondContact O-N 2.71Å; I59-T63 PolarHBondContact O-OG1 2.83Å; V60-T63 CarbonylContact O-C 3.56Å; V60-T63 PolarHBondContact O-N 2.91Å; D61-T63 VanDerWaalsContact C-N 3.28Å; D61-T63 PolarHBondContact O-N 3.33Å; T63-S68 WeakPolarHBondContact O-CB 3.41Å; T63-S68 PolarHBondContact O-N 3.34Å; T63-V76 HydrophobicContact CG2-CG1 3.32Å; T63-L441 HydrophobicContact CG2-CB 4.37Å; T63-L441 HydrophobicContact CG2-CD1 4.1Å
64S95.8Very high95.2Very high38 Ų3842.4 Ų42.427%0.26621%0.212SC..Iπ-helixtrans-75-41.2-178.162.70000113.4V60 D61 S68 S78V60-S64 WeakPolarHBondContact O-CB 3.33Å; V60-S64 PolarHBondContact O-N 2.74Å; V60-S64 PolarHBondContact O-OG 3.07Å; D61-S64 PolarHBondContact O-N 3.11Å; D61-S64 PolarHBondContact O-OG 2.9Å; S64-S68 WeakPolarHBondContact O-CB 3.26Å; S64-S78 WeakPolarHBondContact CA-OG 3.39Å; S64-S78 PolarHBondContact N-OG 3.5Å
65N95.7Very high95.2Very high53 Ų5335.6 Ų35.628%0.28319%0.187SC..Iπ-helixtrans-98.6-22.9-169.2-52.4-23.3000112.5D61 C69 Y361 L366D61-N65 WeakPolarHBondContact O-CB 3.34Å; D61-N65 VanDerWaalsContact O-CG 3.29Å; D61-N65 PolarHBondContact O-N 3.08Å; D61-N65 PolarHBondContact O-ND2 3.26Å; N65-C69 PolarHBondContact O-SG 3.25Å; N65-C69 VanDerWaalsContact O-SG 3.33Å; N65-Y361 VanDerWaalsContact CB-O 3.3Å; N65-Y361 WeakPolarHBondContact CB-O 3.42Å; N65-Y361 PolarHBondContact ND2-O 2.71Å; N65-L366 WeakPolarHBondContact O-CD2 3.18Å
66V96.8Very high95.3Very high0 Ų032.3 Ų32.30%017%0.172CC..Iπ-helixtrans-111.6-62.6-178.4-1770000110.4F62 S68 C69 L70 F365 L366 I392F62-V66 HydrophobicContact CD2-CB 4.07Å; F62-V66 HydrophobicContact CD2-CG1 4.37Å; F62-V66 HydrophobicContact CD2-CG2 4.04Å; F62-V66 HydrophobicContact CE2-CB 4.15Å; F62-V66 HydrophobicContact CE2-CG1 3.94Å; F62-V66 HydrophobicContact CE2-CG2 4.37Å; F62-V66 HydrophobicContact CZ-CG1 4.37Å; F62-V66 WeakPolarHBondContact O-CA 3.38Å; F62-V66 VanDerWaalsContact O-CB 3.25Å; F62-V66 WeakPolarHBondContact O-CB 3.43Å; F62-V66 PolarHBondContact O-N 3.48Å; F62-V66 VanDerWaalsContact O-N 3.13Å; V66-S68 PolarHBondContact O-N 3.42Å; V66-C69 PolarHBondContact O-N 2.76Å; V66-L70 HydrophobicContact CG1-CD1 4.01Å; V66-L70 WeakPolarHBondContact O-CG 3.22Å; V66-L70 PolarHBondContact O-N 3.06Å; V66-F365 HydrophobicContact CG1-CE1 4.44Å; V66-F365 HydrophobicContact CG2-CD1 3.71Å; V66-F365 HydrophobicContact CG2-CE1 3.83Å; V66-L366 HydrophobicContact CG1-CD1 4.21Å; V66-I392 HydrophobicContact CG1-CD1 3.9Å; V66-I392 HydrophobicContact CG1-CG1 4.23Å
67M97.4Very high95.3Very high0 Ų035.5 Ų35.50%019%0.187CC..Iπ-helixtrans-70.1-35.3-172.7-61.3-54.8-67.800112.5F62 L70 L71 T323 I392 T395 L441F62-M67 HydrophobicContact CD1-CG 3.8Å; F62-M67 HydrophobicContact CE1-CG 3.41Å; F62-M67 VanDerWaalsContact CE1-CG 3.41Å; F62-M67 HydrophobicContact CE1-SD 3.66Å; F62-M67 HydrophobicContact CZ-CG 4.07Å; F62-M67 HydrophobicContact CZ-SD 3.79Å; F62-M67 PolarHBondContact O-N 2.9Å; M67-L70 PolarHBondContact O-N 3.23Å; M67-L71 HydrophobicContact CE-CD1 3.81Å; M67-L71 HydrophobicContact CE-CG 4.23Å; M67-L71 VanDerWaalsContact O-CB 3.24Å; M67-L71 WeakPolarHBondContact O-CB 2.97Å; M67-L71 WeakPolarHBondContact O-CG 3.4Å; M67-L71 PolarHBondContact O-N 3.2Å; M67-T323 HydrophobicContact CE-CG2 4.21Å; M67-I392 HydrophobicContact SD-CG2 4.02Å; M67-T395 HydrophobicContact CE-CG2 4.25Å; M67-L441 HydrophobicContact CB-CD1 4.06Å; M67-L441 HydrophobicContact CE-CD2 3.69Å; M67-L441 HydrophobicContact CG-CB 4.33Å; M67-L441 HydrophobicContact CG-CD2 4.46Å
68S95.6Very high95.1Very high13 Ų1334 Ų349%0.09118%0.182CC..Hα-helixtrans-61.5-43.3174.9-164.30000112T63 S64 V66 L70 G72 E73T63-S68 WeakPolarHBondContact O-CB 3.41Å; T63-S68 PolarHBondContact O-N 3.34Å; S64-S68 WeakPolarHBondContact O-CB 3.26Å; V66-S68 PolarHBondContact O-N 3.42Å; S68-L70 PolarHBondContact O-N 3.4Å; S68-G72 CarbonylContact O-C 3.59Å; S68-G72 VanDerWaalsContact O-C 3.31Å; S68-G72 WeakPolarHBondContact O-CA 3.48Å; S68-G72 PolarHBondContact O-N 3.17Å; S68-E73 WeakPolarHBondContact OG-CA 3.43Å; S68-E73 WeakPolarHBondContact OG-CG 3.34Å
69C94.3Very high95.1Very high61 Ų6133.4 Ų33.441%0.41219%0.187SC..Hα-helixtrans-64.5-39.3177.2-61.90000112.2N65 V66 L366N65-C69 PolarHBondContact O-SG 3.25Å; N65-C69 VanDerWaalsContact O-SG 3.33Å; V66-C69 PolarHBondContact O-N 2.76Å; C69-L366 HydrophobicContact CB-CD2 3.8Å
70L94.3Very high95.1Very high35 Ų3537.5 Ų37.518%0.18321%0.206CC..Hα-helixtrans-77.4-44.1-178.4-64171.1000112.5V66 M67 S68 T323 L326 I392V66-L70 HydrophobicContact CG1-CD1 4.01Å; V66-L70 WeakPolarHBondContact O-CG 3.22Å; V66-L70 PolarHBondContact O-N 3.06Å; M67-L70 PolarHBondContact O-N 3.23Å; S68-L70 PolarHBondContact O-N 3.4Å; L70-T323 HydrophobicContact CB-CG2 4.49Å; L70-T323 HydrophobicContact CD1-CG2 4.01Å; L70-L326 HydrophobicContact CD1-CD1 4.32Å; L70-I392 HydrophobicContact CD1-CG2 3.73Å
71L94.6Very high95.1Very high1 Ų137.9 Ų37.91%0.00521%0.208CC..Hα-helixtrans-92.7-18.9-174.1-58.4-178000113.6M67 F75 V76 R319 I320 V438 L441M67-L71 HydrophobicContact CE-CD1 3.81Å; M67-L71 HydrophobicContact CE-CG 4.23Å; M67-L71 VanDerWaalsContact O-CB 3.24Å; M67-L71 WeakPolarHBondContact O-CB 2.97Å; M67-L71 WeakPolarHBondContact O-CG 3.4Å; M67-L71 PolarHBondContact O-N 3.2Å; L71-F75 WeakPolarHBondContact O-CD2 3.2Å; L71-V76 HydrophobicContact CB-CG2 3.79Å; L71-V76 HydrophobicContact CD1-CG2 4.14Å; L71-R319 HydrophobicContact CD2-CB 4.42Å; L71-R319 WeakPolarHBondContact O-CD 3.38Å; L71-I320 HydrophobicContact CD2-CG1 3.87Å; L71-V438 HydrophobicContact CD1-CB 4.16Å; L71-V438 HydrophobicContact CD1-CG1 3.95Å; L71-V438 HydrophobicContact CD1-CG2 4.24Å; L71-L441 HydrophobicContact CD1-CD1 4.13Å; L71-L441 HydrophobicContact CD1-CD2 3.94Å
72G92.4Very high95.1Very high12 Ų1237.3 Ų37.312%0.12421%0.206CC..  trans94132.2-176.300000112.7S68 K74 F75S68-G72 CarbonylContact O-C 3.59Å; S68-G72 VanDerWaalsContact O-C 3.31Å; S68-G72 WeakPolarHBondContact O-CA 3.48Å; S68-G72 PolarHBondContact O-N 3.17Å; G72-K74 VanDerWaalsContact C-N 3.26Å; G72-K74 PolarHBondContact O-N 3.37Å; G72-K74 VanDerWaalsContact O-N 3.13Å; G72-F75 PolarHBondContact O-N 3.31Å
73E91.1Very high94.9Very high157 Ų15743.2 Ų43.273%0.73423%0.228SC*.G310 helixtrans-52.6-39.4-172.8-66.1178.2175.800113.9S68 F75 V76S68-E73 WeakPolarHBondContact OG-CA 3.43Å; S68-E73 WeakPolarHBondContact OG-CG 3.34Å; E73-F75 PolarHBondContact O-N 3.15Å; E73-V76 PolarHBondContact O-N 3.37Å; E73-V76 VanDerWaalsContact O-O 3.11Å
74K90Very high94.8Very high95 Ų9543.5 Ų43.541%0.41323%0.229SC..G310 helixtrans-65.5-20.5-179.869.1-178.1163.6-153.30115.2G72 A276 G277G72-K74 VanDerWaalsContact C-N 3.26Å; G72-K74 PolarHBondContact O-N 3.37Å; G72-K74 VanDerWaalsContact O-N 3.13Å; K74-A276 VanDerWaalsContact CE-CA 3.48Å; K74-A276 PolarHBondContact NZ-O 2.92Å; K74-G277 PolarHBondContact NZ-O 2.92Å
75F93.4Very high94.8Very high16 Ų1643.8 Ų43.87%0.0723%0.23CC..G310 helixtrans-96.6-11.4-178-59.6-72.1000111.8L71 G72 E73 A276 I316 V436 S437 V438L71-F75 WeakPolarHBondContact O-CD2 3.2Å; G72-F75 PolarHBondContact O-N 3.31Å; E73-F75 PolarHBondContact O-N 3.15Å; F75-A276 HydrophobicContact CE2-CB 3.99Å; F75-A276 HydrophobicContact CZ-CB 3.94Å; F75-I316 HydrophobicContact CB-CD1 3.8Å; F75-I316 HydrophobicContact CD1-CB 4.16Å; F75-I316 HydrophobicContact CD1-CD1 3.99Å; F75-I316 HydrophobicContact CD1-CG1 4.1Å; F75-I316 HydrophobicContact CD2-CD1 3.86Å; F75-I316 HydrophobicContact CE1-CB 3.94Å; F75-I316 HydrophobicContact CE1-CG1 4.4Å; F75-I316 HydrophobicContact CE2-CD1 4.34Å; F75-I316 HydrophobicContact CG-CD1 3.63Å; F75-I316 HydrophobicContact CG-CG1 4.25Å; F75-I316 HydrophobicContact CZ-CB 4.12Å; F75-V436 HydrophobicContact CD1-CB 4.21Å; F75-V436 WeakPolarHBondContact CD1-O 3.46Å; F75-V436 HydrophobicContact CE1-CB 4.21Å; F75-S437 CarbonylContact O-C 3.54Å; F75-S437 VanDerWaalsContact O-CA 3.26Å; F75-S437 WeakPolarHBondContact O-CA 3.31Å; F75-V438 HydrophobicContact CB-CG2 4.4Å; F75-V438 PolarHBondContact O-N 2.96Å
76V95.7Very high94.7Very high11 Ų1144.6 Ų44.67%0.06723%0.234CC..BIsolated β-bridgetrans-117.7130.9-169177.30000110T63 L71 E73 L441T63-V76 HydrophobicContact CG2-CG1 3.32Å; L71-V76 HydrophobicContact CB-CG2 3.79Å; L71-V76 HydrophobicContact CD1-CG2 4.14Å; E73-V76 PolarHBondContact O-N 3.37Å; E73-V76 VanDerWaalsContact O-O 3.11Å; V76-L441 HydrophobicContact CG1-CD1 3.95Å; V76-L441 HydrophobicContact CG2-CD1 4.11Å
77H94.9Very high94.6Very high70 Ų7049.6 Ų49.632%0.32426%0.258SS..  trans-119100.4176.4-57.3-83000109G79 L119 P120 S437H77-G79 VanDerWaalsContact C-N 3.34Å; H77-L119 VanDerWaalsContact O-CD2 3.31Å; H77-L119 WeakPolarHBondContact O-CD2 3.45Å; H77-P120 HydrophobicContact CB-CG 3.8Å; H77-S437 PolarHBondContact NE2-OG 3.47Å
78S94.4Very high94.6Very high25 Ų2549.9 Ų49.918%0.17526%0.259CS..  trans-73.1-27.6-176.2-50.40000113.4S64S64-S78 WeakPolarHBondContact CA-OG 3.39Å; S64-S78 PolarHBondContact N-OG 3.5Å
79G94.9Very high94.6Very high33 Ų3349.3 Ų49.334%0.3426%0.255SS..  trans68-165-174.700000112.8H77 C118H77-G79 VanDerWaalsContact C-N 3.34Å; G79-C118 CarbonylContact C-O 3.56Å; G79-C118 WeakPolarHBondContact CA-O 3.44Å
80E96.8Very high94.6Very high104 Ų10451.2 Ų51.249%0.48625%0.253SS..EExtended strand (participates in β ladder)trans-139.1147.3179.462.4-175.5159.900110.9R30 V82 C118R30-E80 IonicContact NH1-OE1 3.6Å; E80-V82 HydrophobicContact CG-CG1 3.97Å; E80-C118 HydrophobicContact CG-CB 3.91Å; E80-C118 PolarHBondContact N-O 3.4Å; E80-C118 PolarHBondContact O-N 3.09Å
81V97.1Very high94.7Very high22 Ų2252.8 Ų52.813%0.13326%0.26CS..EExtended strand (participates in β ladder)trans-76.7127172.3-166.30000108.5F53 I56 Q57 V60F53-V81 HydrophobicContact CD2-CB 4.44Å; F53-V81 HydrophobicContact CD2-CG1 3.59Å; F53-V81 HydrophobicContact CE2-CB 3.94Å; F53-V81 HydrophobicContact CE2-CG1 3.57Å; F53-V81 HydrophobicContact CG-CG1 4.26Å; F53-V81 HydrophobicContact CZ-CB 4.23Å; F53-V81 HydrophobicContact CZ-CG1 4.22Å; I56-V81 HydrophobicContact CB-CG1 4.05Å; I56-V81 HydrophobicContact CB-CG2 4.24Å; I56-V81 HydrophobicContact CG2-CB 4.39Å; I56-V81 HydrophobicContact CG2-CG1 4.03Å; I56-V81 HydrophobicContact CG2-CG2 3.85Å; Q57-V81 HydrophobicContact CB-CG2 4.13Å; Q57-V81 VanDerWaalsContact OE1-CG2 3.31Å; V60-V81 HydrophobicContact CG2-CG2 3.83Å
82V96.2Very high94.8Very high25 Ų2552.8 Ų52.815%0.15226%0.26CS..EExtended strand (participates in β ladder)trans-119.4142.8177.9-620000110.8L32 E80 L84 A116 C118L32-V82 HydrophobicContact CD2-CG2 3.74Å; E80-V82 HydrophobicContact CG-CG1 3.97Å; V82-L84 HydrophobicContact CG2-CD2 3.98Å; V82-L84 HydrophobicContact CG2-CG 4.33Å; V82-A116 HydrophobicContact CG2-CB 4.07Å; V82-A116 WeakPolarHBondContact CG2-O 3.46Å; V82-A116 PolarHBondContact N-O 3.19Å; V82-A116 PolarHBondContact O-N 3.37Å; V82-C118 HydrophobicContact CG1-CB 3.69Å; V82-C118 HydrophobicContact CG2-CB 4.07Å
83R95.4Very high94.9Very high128 Ų12853.3 Ų53.348%0.48326%0.261SS..EExtended strand (participates in β ladder)trans-92.6136.8166.8-68.1-177177.2-110.92.3108.6L3 G114L3-R83 WeakPolarHBondContact CD2-O 3.32Å; R83-G114 CarbonylContact C-O 3.6Å; R83-G114 WeakPolarHBondContact CA-O 3.38Å
84L95Very high95.1Very high14 Ų1451.3 Ų51.37%0.07326%0.255CS..  trans-121.6146.2-175-58.4175000109.4M6 L32 L34 V82 L86 F88 V89 G114 A116M6-L84 HydrophobicContact CE-CD2 4.04Å; M6-L84 HydrophobicContact SD-CD2 3.71Å; L32-L84 HydrophobicContact CD1-CD1 4.08Å; L32-L84 HydrophobicContact CD1-CD2 4.18Å; L32-L84 HydrophobicContact CD2-CD2 4.48Å; L34-L84 HydrophobicContact CD2-CD1 4.48Å; V82-L84 HydrophobicContact CG2-CD2 3.98Å; V82-L84 HydrophobicContact CG2-CG 4.33Å; L84-L86 PolarHBondContact O-N 3.16Å; L84-F88 HydrophobicContact CB-CD1 4.35Å; L84-F88 HydrophobicContact CD1-CE1 4.24Å; L84-V89 HydrophobicContact CB-CG2 3.68Å; L84-V89 HydrophobicContact CD1-CG2 3.93Å; L84-V89 HydrophobicContact CG-CG2 4.49Å; L84-G114 PolarHBondContact N-O 2.9Å; L84-A116 HydrophobicContact CD1-CB 3.61Å; L84-A116 HydrophobicContact CG-CB 4.37Å
85P95.2Very high95.4Very high44 Ų4449.3 Ų49.329%0.28625%0.246SC..  trans-58.8131170.8-21.132.5000110.8L3 E87 F88 V89L3-P85 WeakPolarHBondContact O-CG 3.38Å; P85-E87 PolarHBondContact O-N 2.62Å; P85-F88 HydrophobicContact CB-CB 4.17Å; P85-F88 WeakPolarHBondContact O-CB 3.28Å; P85-F88 PolarHBondContact O-N 3.45Å; P85-V89 PolarHBondContact O-N 2.9Å; P85-V89 VanDerWaalsContact O-N 3.17Å
86L94.1Very high95.5Very high71 Ų7148.6 Ų48.637%0.37224%0.243SC..Hα-helixtrans-61.2-34.6-177.6-67179.9000112.4L84 V89 R90 Y112L84-L86 PolarHBondContact O-N 3.16Å; L86-V89 PolarHBondContact O-N 3.13Å; L86-R90 VanDerWaalsContact O-CG 3.3Å; L86-R90 WeakPolarHBondContact O-CG 3.45Å; L86-R90 PolarHBondContact O-N 2.76Å; L86-Y112 WeakPolarHBondContact CD2-O 3.25Å
87E94.9Very high95.4Very high104 Ų10451.9 Ų51.949%0.48626%0.258SS..Hα-helixtrans-63.4-47.2177.8-168.854.1-147.700111.5P85 V89 R90 Q91P85-E87 PolarHBondContact O-N 2.62Å; E87-V89 VanDerWaalsContact C-N 3.32Å; E87-V89 PolarHBondContact O-N 2.85Å; E87-R90 PolarHBondContact O-N 2.69Å; E87-R90 IonicContact OE2-NH1 2.84Å; E87-Q91 WeakPolarHBondContact O-CG 3.16Å; E87-Q91 PolarHBondContact O-N 3.3Å; E87-Q91 PolarHBondContact OE1-NE2 3.16Å
88F95.8Very high95.3Very high7 Ų755.7 Ų55.73%0.03128%0.275CS..Hα-helixtrans-54.3-46.9173.3164-99.1000111.8M6 E8 W11 L32 L84 P85 R90 Q91 L92M6-F88 HydrophobicContact CB-CB 4.31Å; M6-F88 HydrophobicContact CB-CD1 4.43Å; M6-F88 HydrophobicContact CB-CD2 3.68Å; M6-F88 HydrophobicContact CB-CE2 4.07Å; M6-F88 HydrophobicContact CB-CG 3.88Å; M6-F88 HydrophobicContact CE-CD1 4.32Å; M6-F88 HydrophobicContact CE-CE1 3.78Å; M6-F88 HydrophobicContact CE-CE2 4.18Å; M6-F88 HydrophobicContact CE-CZ 3.7Å; M6-F88 HydrophobicContact SD-CD1 4.38Å; M6-F88 HydrophobicContact SD-CE1 4.39Å; E8-F88 HydrophobicContact CB-CD2 4.36Å; E8-F88 HydrophobicContact CB-CE2 4.32Å; W11-F88 AromaticContact CD1-CE2 3.57Å; W11-F88 AromaticContact CD1-CZ 3.58Å; W11-F88 HydrophobicContact CD2-CZ 4.44Å; W11-F88 HydrophobicContact CG-CE2 4.43Å; W11-F88 HydrophobicContact CG-CZ 4.11Å; W11-F88 AromaticContact NE1-CE2 3.74Å; W11-F88 AromaticContact NE1-CZ 3.57Å; L32-F88 HydrophobicContact CD1-CE1 4.26Å; L32-F88 HydrophobicContact CD1-CZ 4.44Å; L84-F88 HydrophobicContact CB-CD1 4.35Å; L84-F88 HydrophobicContact CD1-CE1 4.24Å; P85-F88 HydrophobicContact CB-CB 4.17Å; P85-F88 WeakPolarHBondContact O-CB 3.28Å; P85-F88 PolarHBondContact O-N 3.45Å; F88-R90 VanDerWaalsContact C-N 3.33Å; F88-R90 PolarHBondContact O-N 2.95Å; F88-Q91 PolarHBondContact O-N 2.69Å; F88-L92 HydrophobicContact CE1-CD2 4.1Å; F88-L92 HydrophobicContact CZ-CD2 3.99Å; F88-L92 WeakPolarHBondContact O-CB 3.46Å; F88-L92 PolarHBondContact O-N 2.96Å
89V95.4Very high95.2Very high0 Ų057.9 Ų57.90%028%0.283CS..Hα-helixtrans-64.3-38.1-178.7-178.70000111.7L34 L84 P85 L86 E87 S93 M109 D110 I111L34-V89 HydrophobicContact CD2-CG1 4.05Å; L84-V89 HydrophobicContact CB-CG2 3.68Å; L84-V89 HydrophobicContact CD1-CG2 3.93Å; L84-V89 HydrophobicContact CG-CG2 4.49Å; P85-V89 PolarHBondContact O-N 2.9Å; P85-V89 VanDerWaalsContact O-N 3.17Å; L86-V89 PolarHBondContact O-N 3.13Å; E87-V89 VanDerWaalsContact C-N 3.32Å; E87-V89 PolarHBondContact O-N 2.85Å; V89-S93 WeakPolarHBondContact O-CB 3.25Å; V89-S93 PolarHBondContact O-N 3.06Å; V89-M109 HydrophobicContact CG1-CE 3.84Å; V89-M109 VanDerWaalsContact O-CE 3.31Å; V89-M109 WeakPolarHBondContact O-CE 3.48Å; V89-D110 WeakPolarHBondContact CG1-O 3.26Å; V89-I111 HydrophobicContact CG1-CB 4.42Å; V89-I111 HydrophobicContact CG1-CG2 4.28Å
90R95Very high95Very high101 Ų10157 Ų5738%0.38127%0.269SS..Hα-helixtrans-66.4-48.7176.7-71.4168.3-175.9158.1-0.8111.7L86 E87 F88 L92 S93 I94 I111L86-R90 VanDerWaalsContact O-CG 3.3Å; L86-R90 WeakPolarHBondContact O-CG 3.45Å; L86-R90 PolarHBondContact O-N 2.76Å; E87-R90 PolarHBondContact O-N 2.69Å; E87-R90 IonicContact OE2-NH1 2.84Å; F88-R90 VanDerWaalsContact C-N 3.33Å; F88-R90 PolarHBondContact O-N 2.95Å; R90-L92 VanDerWaalsContact C-N 3.33Å; R90-L92 PolarHBondContact O-N 3.45Å; R90-S93 VanDerWaalsContact O-CB 3.26Å; R90-S93 WeakPolarHBondContact O-CB 3.27Å; R90-S93 PolarHBondContact O-N 2.92Å; R90-I94 WeakPolarHBondContact O-CG1 3.5Å; R90-I94 PolarHBondContact O-N 2.77Å; R90-I94 VanDerWaalsContact O-N 3.16Å; R90-I111 HydrophobicContact CG-CB 4.33Å
91Q96.1Very high94.6Very high69 Ų6953.8 Ų53.832%0.32226%0.257SS..Hα-helixtrans-62-42.8177.5-64-54.9-27.100111.4E8 E87 F88 S93 I94 K95E8-Q91 HydrophobicContact CB-CB 4.29Å; E8-Q91 HydrophobicContact CG-CB 3.95Å; E87-Q91 WeakPolarHBondContact O-CG 3.16Å; E87-Q91 PolarHBondContact O-N 3.3Å; E87-Q91 PolarHBondContact OE1-NE2 3.16Å; F88-Q91 PolarHBondContact O-N 2.69Å; Q91-S93 VanDerWaalsContact C-N 3.33Å; Q91-S93 PolarHBondContact O-N 3.22Å; Q91-I94 PolarHBondContact O-N 3.43Å; Q91-K95 WeakPolarHBondContact O-CB 3.47Å; Q91-K95 PolarHBondContact O-N 2.79Å
92L96.2Very high94.2Very high0 Ų056.9 Ų56.90%029%0.285CS..Hα-helixtrans-58.2-44.1174.1-178.465.9000111.8E8 W11 V23 F88 R90 I94 K95 I96E8-L92 HydrophobicContact CB-CB 4.27Å; E8-L92 HydrophobicContact CB-CD1 4.47Å; W11-L92 HydrophobicContact CB-CD1 3.8Å; V23-L92 HydrophobicContact CG1-CD1 4.32Å; V23-L92 HydrophobicContact CG1-CD2 4.25Å; V23-L92 HydrophobicContact CG2-CD2 4.01Å; F88-L92 HydrophobicContact CE1-CD2 4.1Å; F88-L92 HydrophobicContact CZ-CD2 3.99Å; F88-L92 WeakPolarHBondContact O-CB 3.46Å; F88-L92 PolarHBondContact O-N 2.96Å; R90-L92 VanDerWaalsContact C-N 3.33Å; R90-L92 PolarHBondContact O-N 3.45Å; L92-I94 PolarHBondContact O-N 3.07Å; L92-K95 PolarHBondContact O-N 3.1Å; L92-I96 HydrophobicContact CD1-CG2 3.96Å; L92-I96 WeakPolarHBondContact O-CG1 3.39Å; L92-I96 PolarHBondContact O-N 3.05Å
93S95.3Very high93.7Very high23 Ų2362.3 Ų62.316%0.16130%0.303CS..Hα-helixtrans-55.6-49.9177.8-163.30000111.7V89 R90 Q91 I96 Q97 M109V89-S93 WeakPolarHBondContact O-CB 3.25Å; V89-S93 PolarHBondContact O-N 3.06Å; R90-S93 VanDerWaalsContact O-CB 3.26Å; R90-S93 WeakPolarHBondContact O-CB 3.27Å; R90-S93 PolarHBondContact O-N 2.92Å; Q91-S93 VanDerWaalsContact C-N 3.33Å; Q91-S93 PolarHBondContact O-N 3.22Å; S93-I96 PolarHBondContact O-N 3.47Å; S93-Q97 WeakPolarHBondContact O-CB 3.4Å; S93-Q97 PolarHBondContact O-N 3.06Å; S93-Q97 VanDerWaalsContact O-N 3.15Å; S93-M109 VanDerWaalsContact CA-CE 3.47Å
94I95.4Very high93.4Very high116 Ų11659.4 Ų59.460%0.59529%0.292SS*.Hα-helixtrans-62.2-48.4179.9-64.5165.1000109.8R90 Q91 L92 I96 Q97R90-I94 WeakPolarHBondContact O-CG1 3.5Å; R90-I94 PolarHBondContact O-N 2.77Å; R90-I94 VanDerWaalsContact O-N 3.16Å; Q91-I94 PolarHBondContact O-N 3.43Å; L92-I94 PolarHBondContact O-N 3.07Å; I94-I96 PolarHBondContact O-N 2.99Å; I94-Q97 PolarHBondContact O-N 3.05Å
95K95.7Very high93.1Very high52 Ų5260.8 Ų60.823%0.22630%0.302CS..Hα-helixtrans-57.5-45.5-179.9174.9179.2166.6-178.80112.2E8 N9 W11 Q91 L92 H98E8-K95 HydrophobicContact CG-CD 4.26Å; E8-K95 PolarHBondContact O-NZ 2.9Å; N9-K95 VanDerWaalsContact CA-NZ 3.26Å; N9-K95 PolarHBondContact O-NZ 3.38Å; W11-K95 WeakPolarHBondContact O-CE 3.21Å; W11-K95 PolarHBondContact O-NZ 2.95Å; Q91-K95 WeakPolarHBondContact O-CB 3.47Å; Q91-K95 PolarHBondContact O-N 2.79Å; L92-K95 PolarHBondContact O-N 3.1Å; K95-H98 PolarHBondContact O-CE1 3.41Å; K95-H98 PolarHBondContact O-ND1 3.43Å
96I95.6Very high92.8Very high1 Ų162.9 Ų62.91%0.00531%0.311CS..Hα-helixtrans-86.6-13.2-172.770.1-178.1000113.7L21 V23 L92 S93 I94 H98 Q99 R100 M109L21-I96 HydrophobicContact CD1-CD1 3.85Å; L21-I96 HydrophobicContact CD2-CD1 3.46Å; L21-I96 VanDerWaalsContact CD2-CD1 3.46Å; L21-I96 HydrophobicContact CG-CD1 4.31Å; V23-I96 HydrophobicContact CG1-CD1 3.88Å; V23-I96 HydrophobicContact CG1-CG2 4.32Å; L92-I96 HydrophobicContact CD1-CG2 3.96Å; L92-I96 WeakPolarHBondContact O-CG1 3.39Å; L92-I96 PolarHBondContact O-N 3.05Å; S93-I96 PolarHBondContact O-N 3.47Å; I94-I96 PolarHBondContact O-N 2.99Å; I96-H98 VanDerWaalsContact C-N 3.28Å; I96-H98 PolarHBondContact O-N 3.46Å; I96-Q99 WeakPolarHBondContact O-CA 3.46Å; I96-Q99 WeakPolarHBondContact O-CB 3.42Å; I96-Q99 PolarHBondContact O-N 2.9Å; I96-R100 PolarHBondContact O-N 2.88Å; I96-M109 HydrophobicContact CD1-SD 3.96Å
97Q93.9Very high92.7Very high81 Ų8161.1 Ų61.138%0.37930%0.3SS..Hα-helixtrans-56.5-39.4-170.8-17760.217.500113.2S93 I94 Q99 R100S93-Q97 WeakPolarHBondContact O-CB 3.4Å; S93-Q97 PolarHBondContact O-N 3.06Å; S93-Q97 VanDerWaalsContact O-N 3.15Å; I94-Q97 PolarHBondContact O-N 3.05Å; Q97-Q99 VanDerWaalsContact C-N 3.25Å; Q97-Q99 PolarHBondContact O-N 3.13Å; Q97-R100 WeakPolarHBondContact O-CB 3.4Å; Q97-R100 PolarHBondContact O-N 3.39Å
98H92.1Very high92.5Very high149 Ų14957.9 Ų57.969%0.6929%0.287SS*.THydrogen-bonded Turntrans-73.6-14.4178.566.5-91000113.9K95 I96K95-H98 PolarHBondContact O-CE1 3.41Å; K95-H98 PolarHBondContact O-ND1 3.43Å; I96-H98 VanDerWaalsContact C-N 3.28Å; I96-H98 PolarHBondContact O-N 3.46Å
99Q92.3Very high92.4Very high72 Ų7257.7 Ų57.734%0.33629%0.286SS..THydrogen-bonded Turntrans-89.4-12.4178.6-53.5178.91600111.7Y13 I96 Q97Y13-Q99 HydrophobicContact CD1-CB 4.2Å; Y13-Q99 HydrophobicContact CG-CB 4.1Å; I96-Q99 WeakPolarHBondContact O-CA 3.46Å; I96-Q99 WeakPolarHBondContact O-CB 3.42Å; I96-Q99 PolarHBondContact O-N 2.9Å; Q97-Q99 VanDerWaalsContact C-N 3.25Å; Q97-Q99 PolarHBondContact O-N 3.13Å
100R92.1Very high92.3Very high15 Ų1558 Ų586%0.05729%0.288CS..SBendtrans-77.1136.6-178.7-64.117867.3-157.7-1.9110.6Y13 E16 L21 I96 Q97 A102 R104 K107Y13-R100 HydrophobicContact CD2-CG 4.26Å; Y13-R100 HydrophobicContact CE2-CG 4.01Å; E16-R100 WeakPolarHBondContact OE1-CB 3.46Å; E16-R100 WeakPolarHBondContact OE1-CG 3.24Å; E16-R100 IonicContact OE1-CZ 3.58Å; E16-R100 IonicContact OE1-NE 2.79Å; E16-R100 PolarHBondContact OE1-NE 2.92Å; E16-R100 IonicContact OE1-NH2 2.77Å; E16-R100 IonicContact OE2-CZ 3.47Å; E16-R100 IonicContact OE2-NE 3.5Å; E16-R100 PolarHBondContact OE2-NE 3.3Å; E16-R100 IonicContact OE2-NH2 3.62Å; E16-R100 PolarHBondContact OE2-NH2 3.48Å; L21-R100 HydrophobicContact CD1-CG 4.24Å; I96-R100 PolarHBondContact O-N 2.88Å; Q97-R100 WeakPolarHBondContact O-CB 3.4Å; Q97-R100 PolarHBondContact O-N 3.39Å; R100-A102 PolarHBondContact O-N 3.08Å; R100-R104 PolarHBondContact NH2-O 3.02Å; R100-K107 PolarHBondContact NH1-O 3.02Å; R100-K107 PolarHBondContact NH2-O 3.05Å
101P88.5Confident92.2Very high35 Ų3555 Ų5523%0.22728%0.279CS..  trans-62135.2174.1-20.131000111.6Y13 W103 R104Y13-P101 WeakPolarHBondContact OH-CD 3.39Å; P101-W103 HydrophobicContact CB-CD2 3.76Å; P101-W103 HydrophobicContact CB-CE3 3.86Å; P101-W103 HydrophobicContact CB-CH2 3.59Å; P101-W103 HydrophobicContact CB-CZ2 3.47Å; P101-W103 VanDerWaalsContact CB-CZ2 3.47Å; P101-W103 HydrophobicContact CB-CZ3 3.78Å; P101-W103 HydrophobicContact CG-CH2 4.37Å; P101-W103 HydrophobicContact CG-CZ2 4.07Å; P101-W103 PolarHBondContact O-N 3.11Å; P101-W103 VanDerWaalsContact O-N 3.09Å; P101-R104 HydrophobicContact CB-CG 4.17Å; P101-R104 HydrophobicContact CG-CG 4.29Å; P101-R104 WeakPolarHBondContact O-CB 3.5Å; P101-R104 PolarHBondContact O-N 2.8Å
102A88.1Confident91.9Very high87 Ų8756.1 Ų56.172%0.71928%0.281SS*.G310 helixtrans-52.8-39-17500000113.7R100 R104 C105R100-A102 PolarHBondContact O-N 3.08Å; A102-R104 PolarHBondContact O-N 3.24Å; A102-C105 WeakPolarHBondContact O-CB 3.1Å; A102-C105 PolarHBondContact O-N 2.74Å
103W85.1Confident91.8Very high139 Ų13956.5 Ų56.553%0.52728%0.284SS..G310 helixtrans-73.4-1.7178.867.387.6000114.9P101P101-W103 HydrophobicContact CB-CD2 3.76Å; P101-W103 HydrophobicContact CB-CE3 3.86Å; P101-W103 HydrophobicContact CB-CH2 3.59Å; P101-W103 HydrophobicContact CB-CZ2 3.47Å; P101-W103 VanDerWaalsContact CB-CZ2 3.47Å; P101-W103 HydrophobicContact CB-CZ3 3.78Å; P101-W103 HydrophobicContact CG-CH2 4.37Å; P101-W103 HydrophobicContact CG-CZ2 4.07Å; P101-W103 PolarHBondContact O-N 3.11Å; P101-W103 VanDerWaalsContact O-N 3.09Å
104R88.8Confident91.7Very high68 Ų6855.6 Ų55.626%0.25728%0.278SS..G310 helixtrans-104.9-4.6174.7-67.2-65.8-159.8-171.6-2.3113.3E16 K36 R100 P101 A102 D106E16-R104 HydrophobicContact CG-CB 3.86Å; E16-R104 HydrophobicContact CG-CG 3.78Å; E16-R104 WeakPolarHBondContact OE2-CB 3.27Å; K36-R104 PolarHBondContact NZ-O 3.07Å; K36-R104 VanDerWaalsContact NZ-O 3.11Å; R100-R104 PolarHBondContact NH2-O 3.02Å; P101-R104 HydrophobicContact CB-CG 4.17Å; P101-R104 HydrophobicContact CG-CG 4.29Å; P101-R104 WeakPolarHBondContact O-CB 3.5Å; P101-R104 PolarHBondContact O-N 2.8Å; A102-R104 PolarHBondContact O-N 3.24Å; R104-D106 VanDerWaalsContact C-N 3.27Å; R104-D106 VanDerWaalsContact C-OD1 3.27Å; R104-D106 PolarHBondContact O-N 3.05Å
105C89.2Confident91.7Very high42 Ų4250.1 Ų50.128%0.28425%0.251SS..THydrogen-bonded Turntrans-855-177-64.20000113.4A102 K107A102-C105 WeakPolarHBondContact O-CB 3.1Å; A102-C105 PolarHBondContact O-N 2.74Å; C105-K107 PolarHBondContact O-N 3.25Å
106D89.4Confident91.8Very high88 Ų8847.7 Ų47.747%0.47124%0.24SC..THydrogen-bonded Turntrans-63.7-14.4166.465-52.8000112.7A39 R104A39-D106 WeakPolarHBondContact CB-O 3.29Å; A39-D106 PolarHBondContact N-O 3.37Å; A39-D106 VanDerWaalsContact N-O 3.08Å; R104-D106 VanDerWaalsContact C-N 3.27Å; R104-D106 VanDerWaalsContact C-OD1 3.27Å; R104-D106 PolarHBondContact O-N 3.05Å
107K91.3Very high91.9Very high34 Ų3447.9 Ų47.915%0.14824%0.241CC..EExtended strand (participates in β ladder)trans-130.7147.5178-67-176.6-178.5-164.20110.9N18 K36 Y37 R100 C105N18-K107 PolarHBondContact ND2-NZ 3.01Å; N18-K107 WeakPolarHBondContact O-CD 3.15Å; N18-K107 WeakPolarHBondContact O-CE 3.42Å; N18-K107 PolarHBondContact O-NZ 3.39Å; N18-K107 VanDerWaalsContact OD1-CE 3.28Å; N18-K107 WeakPolarHBondContact OD1-CE 3.39Å; N18-K107 PolarHBondContact OD1-NZ 3.13Å; N18-K107 VanDerWaalsContact OD1-NZ 3.08Å; K36-K107 HydrophobicContact CB-CB 4.3Å; Y37-K107 CarbonylContact O-C 3.57Å; Y37-K107 WeakPolarHBondContact O-CA 3.46Å; Y37-K107 VanDerWaalsContact O-CB 3.23Å; Y37-K107 WeakPolarHBondContact O-CB 3.47Å; R100-K107 PolarHBondContact NH1-O 3.02Å; R100-K107 PolarHBondContact NH2-O 3.05Å; C105-K107 PolarHBondContact O-N 3.25Å
108V91.8Very high92Very high36 Ų3644.3 Ų44.322%0.21823%0.225CC..EExtended strand (participates in β ladder)trans-108.4158.9-178.9-60.60000111.2K36 Y37 A39K36-V108 WeakPolarHBondContact CA-O 3.04Å; K36-V108 WeakPolarHBondContact CB-O 3.35Å; Y37-V108 HydrophobicContact CD2-CG2 3.45Å; Y37-V108 VanDerWaalsContact CD2-CG2 3.45Å; Y37-V108 HydrophobicContact CE1-CG2 4.35Å; Y37-V108 HydrophobicContact CE2-CB 4.49Å; Y37-V108 HydrophobicContact CE2-CG2 3.02Å; Y37-V108 HydrophobicContact CG-CG2 4.21Å; Y37-V108 PolarHBondContact N-O 3.34Å; Y37-V108 VanDerWaalsContact N-O 3.12Å; Y37-V108 PolarHBondContact O-N 3.3Å; A39-V108 HydrophobicContact CB-CG1 4.05Å
109M93.5Very high92.2Very high3 Ų338.8 Ų38.82%0.01520%0.2CC..EExtended strand (participates in β ladder)trans-76.3144.8176.4-173.2177.879.400110L21 L34 V89 S93 I96 I111L21-M109 HydrophobicContact CD2-SD 4.14Å; L34-M109 HydrophobicContact CB-CG 3.98Å; L34-M109 HydrophobicContact CB-SD 4.3Å; L34-M109 HydrophobicContact CD1-SD 4.14Å; L34-M109 HydrophobicContact CD2-CE 4.36Å; L34-M109 HydrophobicContact CD2-CG 4.25Å; L34-M109 HydrophobicContact CD2-SD 3.93Å; L34-M109 HydrophobicContact CG-SD 4.34Å; V89-M109 HydrophobicContact CG1-CE 3.84Å; V89-M109 VanDerWaalsContact O-CE 3.31Å; V89-M109 WeakPolarHBondContact O-CE 3.48Å; S93-M109 VanDerWaalsContact CA-CE 3.47Å; I96-M109 HydrophobicContact CD1-SD 3.96Å; M109-I111 HydrophobicContact CE-CG2 3.91Å; M109-I111 PolarHBondContact O-N 3.47Å; M109-I111 VanDerWaalsContact O-N 3.09Å
110D92.7Very high92.3Very high6 Ų637.9 Ų37.93%0.03220%0.2CC..  trans-72.1102.5174.4-1767.2000112.9L35 Y37 V89 Y112 S113L35-D110 HydrophobicContact CB-CB 4.13Å; L35-D110 PolarHBondContact O-N 3.43Å; Y37-D110 HydrophobicContact CD1-CB 4.2Å; Y37-D110 HydrophobicContact CE1-CB 3.88Å; V89-D110 WeakPolarHBondContact CG1-O 3.26Å; D110-Y112 PolarHBondContact OD1-N 2.72Å; D110-S113 PolarHBondContact OD1-N 3.12Å; D110-S113 VanDerWaalsContact OD1-N 3.09Å; D110-S113 WeakPolarHBondContact OD2-CB 3.22Å; D110-S113 PolarHBondContact OD2-OG 3.28Å
111I93Very high92.3Very high39 Ų3937.7 Ų37.720%0.220%0.201CC..  trans-99.31.3177.864.8170.5000113.7V89 R90 M109V89-I111 HydrophobicContact CG1-CB 4.42Å; V89-I111 HydrophobicContact CG1-CG2 4.28Å; R90-I111 HydrophobicContact CG-CB 4.33Å; M109-I111 HydrophobicContact CE-CG2 3.91Å; M109-I111 PolarHBondContact O-N 3.47Å; M109-I111 VanDerWaalsContact O-N 3.09Å
112Y90.9Very high92.5Very high92 Ų9237.1 Ų37.136%0.36120%0.195SC..SBendtrans-105-37.1-174.2-65.1-74.5000112.8Y37 S42 P45 L86 D110Y37-Y112 WeakPolarHBondContact OH-CD2 3.29Å; Y37-Y112 VanDerWaalsContact OH-CE2 3.27Å; Y37-Y112 WeakPolarHBondContact OH-CE2 3.39Å; S42-Y112 PolarHBondContact O-OH 3.32Å; P45-Y112 HydrophobicContact CB-CD2 4.32Å; P45-Y112 HydrophobicContact CB-CG 4.17Å; L86-Y112 WeakPolarHBondContact CD2-O 3.25Å; D110-Y112 PolarHBondContact OD1-N 2.72Å
113S92.7Very high92.6Very high8 Ų833.1 Ų33.16%0.05616%0.162CC..SBendtrans-77.8-26.2-174.869.40000114.4A52 D110 C115A52-S113 VanDerWaalsContact CB-CB 3.41Å; D110-S113 PolarHBondContact OD1-N 3.12Å; D110-S113 VanDerWaalsContact OD1-N 3.09Å; D110-S113 WeakPolarHBondContact OD2-CB 3.22Å; D110-S113 PolarHBondContact OD2-OG 3.28Å; S113-C115 PolarHBondContact O-N 3.28Å; S113-C115 PolarHBondContact O-SG 2.83Å; S113-C115 VanDerWaalsContact O-SG 3.38Å; S113-C115 PolarHBondContact OG-N 3.42Å
114G93.6Very high92.5Very high4 Ų428.5 Ų28.54%0.04115%0.151CC..  trans59.921.6-170.400000113.3R83 L84R83-G114 CarbonylContact C-O 3.6Å; R83-G114 WeakPolarHBondContact CA-O 3.38Å; L84-G114 PolarHBondContact N-O 2.9Å
115C95.5Very high91.7Very high2 Ų226.6 Ų26.61%0.01415%0.147CC..EExtended strand (participates in β ladder)trans-108135.7-178.1-66.50000110.9A52 I56 S113A52-C115 HydrophobicContact CB-CB 4.28Å; I56-C115 HydrophobicContact CD1-CB 3.88Å; S113-C115 PolarHBondContact O-N 3.28Å; S113-C115 PolarHBondContact O-SG 2.83Å; S113-C115 VanDerWaalsContact O-SG 3.38Å; S113-C115 PolarHBondContact OG-N 3.42Å
116A97.2Very high90.2Very high0 Ų029.5 Ų29.50%016%0.164CC..EExtended strand (participates in β ladder)trans-142159.2175.100000111.6L32 L34 V82 L84L32-A116 HydrophobicContact CB-CB 4.36Å; L32-A116 HydrophobicContact CD2-CB 4.15Å; L34-A116 HydrophobicContact CG-CB 4.18Å; V82-A116 HydrophobicContact CG2-CB 4.07Å; V82-A116 WeakPolarHBondContact CG2-O 3.46Å; V82-A116 PolarHBondContact N-O 3.19Å; V82-A116 PolarHBondContact O-N 3.37Å; L84-A116 HydrophobicContact CD1-CB 3.61Å; L84-A116 HydrophobicContact CG-CB 4.37Å
117L97.8Very high88.5Confident6 Ų632.7 Ų32.73%0.03118%0.18CC..EExtended strand (participates in β ladder)trans-93.8117.5168.4-179.459.4000109.3R33 I56 I59 V60 L119R33-L117 HydrophobicContact CB-CB 4.2Å; R33-L117 PolarHBondContact N-O 3.5Å; R33-L117 PolarHBondContact O-N 2.57Å; I56-L117 HydrophobicContact CG2-CB 3.65Å; I56-L117 HydrophobicContact CG2-CD1 4.06Å; I56-L117 HydrophobicContact CG2-CG 4.32Å; I59-L117 HydrophobicContact CG2-CD2 4.2Å; V60-L117 HydrophobicContact CG2-CD1 3.53Å; L117-L119 HydrophobicContact CD2-CD1 3.8Å; L117-L119 HydrophobicContact CD2-CD2 4.45Å; L117-L119 HydrophobicContact CD2-CG 4.2Å; L117-L119 HydrophobicContact CG-CD1 3.95Å; L117-L119 HydrophobicContact CG-CD2 4.43Å; L117-L119 HydrophobicContact CG-CG 3.94Å
118C97.5Very high86.7Confident5 Ų534.2 Ų34.23%0.03419%0.188CC..EExtended strand (participates in β ladder)trans-89.5121.9175.7-179.40000109.8L32 G79 E80 V82L32-C118 HydrophobicContact CD2-CB 4.15Å; G79-C118 CarbonylContact C-O 3.56Å; G79-C118 WeakPolarHBondContact CA-O 3.44Å; E80-C118 HydrophobicContact CG-CB 3.91Å; E80-C118 PolarHBondContact N-O 3.4Å; E80-C118 PolarHBondContact O-N 3.09Å; V82-C118 HydrophobicContact CG1-CB 3.69Å; V82-C118 HydrophobicContact CG2-CB 4.07Å
119L96Very high84.8Confident34 Ų3440.6 Ų40.618%0.17822%0.215CC..EExtended strand (participates in β ladder)trans-130.3156.3-176.8-71.7157.8000110.9R30 V31 R33 H77 L117R30-L119 CarbonylContact C-O 3.57Å; R30-L119 WeakPolarHBondContact CA-O 3.44Å; V31-L119 HydrophobicContact CG2-CB 3.67Å; V31-L119 PolarHBondContact N-O 3.45Å; V31-L119 PolarHBondContact O-N 2.94Å; R33-L119 HydrophobicContact CB-CD1 4.48Å; H77-L119 VanDerWaalsContact O-CD2 3.31Å; H77-L119 WeakPolarHBondContact O-CD2 3.45Å; L117-L119 HydrophobicContact CD2-CD1 3.8Å; L117-L119 HydrophobicContact CD2-CD2 4.45Å; L117-L119 HydrophobicContact CD2-CG 4.2Å; L117-L119 HydrophobicContact CG-CD1 3.95Å; L117-L119 HydrophobicContact CG-CD2 4.43Å; L117-L119 HydrophobicContact CG-CG 3.94Å
120P94.1Very high83.1Confident52 Ų5247 Ų4734%0.33826%0.257SS..EExtended strand (participates in β ladder)trans-65.6142.216928.6-34.2000111.1C29 H77 L122C29-P120 WeakPolarHBondContact O-CA 3.28Å; H77-P120 HydrophobicContact CB-CG 3.8Å; P120-L122 HydrophobicContact CB-CD2 4.15Å; P120-L122 HydrophobicContact CG-CD2 3.99Å; P120-L122 PolarHBondContact O-N 3.12Å
121N92.6Very high81.5Confident12 Ų1248.8 Ų48.86%0.06427%0.268CS..  trans-81.695.5173.1-172.7-5.5000110.6C29 V31 T123 S124C29-N121 HydrophobicContact CB-CB 4.44Å; C29-N121 PolarHBondContact O-N 3.11Å; V31-N121 HydrophobicContact CG1-CB 3.73Å; N121-T123 PolarHBondContact O-N 3.13Å; N121-T123 PolarHBondContact OD1-N 2.78Å; N121-T123 VanDerWaalsContact OD1-N 3.09Å; N121-T123 PolarHBondContact OD1-OG1 2.56Å; N121-S124 CarbonylContact O-C 3.4Å; N121-S124 PolarHBondContact O-N 3.07Å
122L91.9Very high80.2Confident22 Ų2252.6 Ų52.612%0.11530%0.295CS..THydrogen-bonded Turntrans-72.6-12.3-178.5-54.6-170.5000114.4P120 S124 C137 M402 S437 L439P120-L122 HydrophobicContact CB-CD2 4.15Å; P120-L122 HydrophobicContact CG-CD2 3.99Å; P120-L122 PolarHBondContact O-N 3.12Å; L122-S124 VanDerWaalsContact C-N 3.3Å; L122-C137 PolarHBondContact O-SG 2.61Å; L122-C137 VanDerWaalsContact O-SG 3.38Å; L122-M402 HydrophobicContact CB-CG 3.93Å; L122-M402 HydrophobicContact CD1-CB 4.25Å; L122-M402 HydrophobicContact CD1-CG 4.43Å; L122-S437 VanDerWaalsContact CD1-CB 3.45Å; L122-L439 HydrophobicContact CD1-CD1 4.46Å; L122-L439 HydrophobicContact CD1-CD2 3.64Å; L122-L439 HydrophobicContact CD1-CG 4.21Å; L122-L439 HydrophobicContact CG-CD2 4.47Å
123T90.3Very high79.7Confident4 Ų449.5 Ų49.53%0.02529%0.286CS..THydrogen-bonded Turntrans-81.6-12.9176.867.80000113.2H14 N121 C137 F214 G217 M402H14-T123 PolarHBondContact CE1-OG1 3.36Å; H14-T123 VanDerWaalsContact CE1-OG1 3.32Å; N121-T123 PolarHBondContact O-N 3.13Å; N121-T123 PolarHBondContact OD1-N 2.78Å; N121-T123 VanDerWaalsContact OD1-N 3.09Å; N121-T123 PolarHBondContact OD1-OG1 2.56Å; T123-C137 PolarHBondContact O-SG 3.48Å; T123-C137 VanDerWaalsContact O-SG 3.37Å; T123-F214 HydrophobicContact CG2-CD1 3.9Å; T123-F214 HydrophobicContact CG2-CD2 4.08Å; T123-F214 HydrophobicContact CG2-CE1 4.01Å; T123-F214 HydrophobicContact CG2-CE2 4.2Å; T123-F214 HydrophobicContact CG2-CG 3.94Å; T123-F214 HydrophobicContact CG2-CZ 4.16Å; T123-G217 WeakPolarHBondContact O-CA 3.48Å; T123-G217 PolarHBondContact O-N 2.96Å; T123-M402 HydrophobicContact CG2-CE 4.02Å
124S82.8Confident79.4Confident42 Ų4251.2 Ų51.229%0.29430%0.297SS..SBendtrans-149.270.7179.6-174.10000109.1C29 N121 L122C29-S124 PolarHBondContact SG-O 3.22Å; N121-S124 CarbonylContact O-C 3.4Å; N121-S124 PolarHBondContact O-N 3.07Å; L122-S124 VanDerWaalsContact C-N 3.3Å
125P71.2Confident79.2Confident27 Ų2751.9 Ų51.918%0.17530%0.301CS..  trans-70.4131-17825.3-29.6000112L127 T404P125-L127 PolarHBondContact O-N 3.46Å; P125-T404 HydrophobicContact CG-CG2 3.81Å
126T59.5Low79.1Confident104 Ų10451.8 Ų51.864%0.63830%0.3SS*.THydrogen-bonded Turntrans-69.9-15.6175.423.40000113.9C29 H128C29-T126 HydrophobicContact CB-CG2 4.03Å; C29-T126 WeakPolarHBondContact CB-OG1 3.33Å; C29-T126 VanDerWaalsContact SG-CB 3.53Å; C29-T126 WeakPolarHBondContact SG-CG2 3.46Å; C29-T126 PolarHBondContact SG-N 3Å; C29-T126 PolarHBondContact SG-OG1 3.5Å; T126-H128 PolarHBondContact O-N 3.36Å
127L53.1Low79Confident155 Ų15551.8 Ų51.881%0.81230%0.3SS*.THydrogen-bonded Turntrans-67.6-3.7-171.1-87.6154000114.4P125P125-L127 PolarHBondContact O-N 3.46Å
128H52.5Low79Confident66 Ų6651.5 Ų51.531%0.30630%0.299SS..SBendtrans-113.9124.2178.4-58.2-67.5000108.4T126 V406T126-H128 PolarHBondContact O-N 3.36Å; H128-V406 HydrophobicContact CB-CG1 4.06Å; H128-V406 VanDerWaalsContact CD2-CG2 3.45Å; H128-V406 WeakPolarHBondContact CD2-CG2 3.38Å; H128-V406 WeakPolarHBondContact NE2-CG2 3.18Å
129Q53Low79.1Confident170 Ų17052.2 Ų52.279%0.79430%0.302SS*.  trans-43.6152.5168.4-70.8176.8-14.200109.9T131Q129-T131 PolarHBondContact O-N 3.39Å
130P56.6Low79.2Confident137 Ų13750.7 Ų50.789%0.8929%0.293SS*.  trans-58.589.7177.223.8-32.4000109.7
131T58.9Low79.4Confident43 Ų4350.2 Ų50.226%0.26429%0.286SS..  trans-77.2144171.345.30000106.8Q129 T133Q129-T131 PolarHBondContact O-N 3.39Å; T131-T133 PolarHBondContact O-N 3.41Å; T131-T133 PolarHBondContact OG1-O 3.11Å; T131-T133 VanDerWaalsContact OG1-O 3.07Å
132P67.6Low79.6Confident119 Ų11949.6 Ų49.677%0.77328%0.283SS*.SBendtrans-57-25.7179.4-2532.9000113.2
133T78.9Confident79.9Confident27 Ų2750 Ų5017%0.16628%0.284CS..SBendtrans-110.9119.617821.70000111T131 Y243T131-T133 PolarHBondContact O-N 3.41Å; T131-T133 PolarHBondContact OG1-O 3.11Å; T131-T133 VanDerWaalsContact OG1-O 3.07Å; T133-Y243 HydrophobicContact CG2-CE1 4.48Å
134P86.9Confident80.3Confident45 Ų4550.7 Ų50.729%0.29229%0.288SS..PPolyproline II helixtrans-65.9153.1-177.327.4-34.7000111.6K215 Y243P134-K215 HydrophobicContact CG-CD 4.43Å; P134-K215 HydrophobicContact CG-CG 3.89Å; P134-Y243 VanDerWaalsContact O-CE1 3.24Å; P134-Y243 WeakPolarHBondContact O-CE1 3.37Å; P134-Y243 PolarHBondContact O-OH 3.39Å
135P89Confident80.9Confident18 Ų1849.1 Ų49.112%0.11728%0.278CS..PPolyproline II helixtrans-64.4150.7178.427.7-35.2000112.1G216 T404 L405 V406P135-G216 PolarHBondContact O-N 3.38Å; P135-T404 HydrophobicContact CB-CG2 4.26Å; P135-L405 WeakPolarHBondContact CA-O 3.32Å; P135-V406 HydrophobicContact CB-CG2 4.15Å
136L93.6Very high82.1Confident0 Ų049.5 Ų49.50%028%0.277CS..EExtended strand (participates in β ladder)trans-99.9128170-68.1173.1000109.1I138 F214 K215 L240 Y243 T404 L405L136-I138 HydrophobicContact CB-CD1 4.29Å; L136-F214 WeakPolarHBondContact CA-O 3.34Å; L136-K215 HydrophobicContact CD2-CB 4.08Å; L136-K215 HydrophobicContact CD2-CG 4.24Å; L136-L240 HydrophobicContact CD1-CD2 3.64Å; L136-L240 HydrophobicContact CD2-CD2 4.38Å; L136-Y243 HydrophobicContact CD1-CD1 3.92Å; L136-Y243 HydrophobicContact CD1-CD2 3.83Å; L136-Y243 HydrophobicContact CD1-CE1 3.97Å; L136-Y243 HydrophobicContact CD1-CE2 3.87Å; L136-Y243 HydrophobicContact CD1-CG 3.84Å; L136-Y243 HydrophobicContact CD2-CD2 4.5Å; L136-Y243 HydrophobicContact CD2-CE1 4.42Å; L136-Y243 HydrophobicContact CD2-CE2 3.76Å; L136-Y243 HydrophobicContact CG-CD1 4.26Å; L136-Y243 HydrophobicContact CG-CD2 4.37Å; L136-Y243 HydrophobicContact CG-CE1 3.79Å; L136-Y243 HydrophobicContact CG-CE2 3.91Å; L136-T404 CarbonylContact O-C 3.55Å; L136-T404 WeakPolarHBondContact O-CA 3.27Å; L136-L405 HydrophobicContact CB-CB 4.36Å; L136-L405 PolarHBondContact N-O 3.19Å; L136-L405 PolarHBondContact O-N 3.13Å
137C95.8Very high83.8Confident0 Ų044.7 Ų44.70%025%0.248CC..EExtended strand (participates in β ladder)trans-117.6129.5176.2-500000109.5L122 T123 V213 F214 M402 V403L122-C137 PolarHBondContact O-SG 2.61Å; L122-C137 VanDerWaalsContact O-SG 3.38Å; T123-C137 PolarHBondContact O-SG 3.48Å; T123-C137 VanDerWaalsContact O-SG 3.37Å; C137-V213 CarbonylContact O-C 3.48Å; C137-V213 WeakPolarHBondContact O-CA 3.46Å; C137-F214 HydrophobicContact CB-CB 4.17Å; C137-F214 PolarHBondContact N-O 3.04Å; C137-F214 PolarHBondContact O-N 2.81Å; C137-M402 HydrophobicContact CB-SD 3.76Å; C137-V403 CarbonylContact C-O 3.31Å; C137-V403 WeakPolarHBondContact CA-O 3.23Å
138I97.8Very high85.8Confident0 Ų038.3 Ų38.30%022%0.216CC..EExtended strand (participates in β ladder)trans-119.8114-174.1-55.883000108.2L136 I140 L211 K212 V213 F264 L268 M402 V403 L405L136-I138 HydrophobicContact CB-CD1 4.29Å; I138-I140 HydrophobicContact CG2-CD1 4.37Å; I138-I140 HydrophobicContact CG2-CG1 4Å; I138-L211 HydrophobicContact CG2-CD1 3.55Å; I138-K212 WeakPolarHBondContact CA-O 3.3Å; I138-V213 HydrophobicContact CG1-CG1 4.48Å; I138-F264 HydrophobicContact CD1-CE2 4.26Å; I138-F264 HydrophobicContact CD1-CZ 4.48Å; I138-F264 HydrophobicContact CG1-CE2 4.18Å; I138-F264 HydrophobicContact CG1-CZ 3.89Å; I138-L268 HydrophobicContact CB-CD1 4.37Å; I138-L268 HydrophobicContact CG2-CD1 4.38Å; I138-L268 HydrophobicContact CG2-CD2 4.11Å; I138-M402 CarbonylContact O-C 3.49Å; I138-M402 WeakPolarHBondContact O-CA 3.49Å; I138-V403 HydrophobicContact CB-CB 4.46Å; I138-V403 WeakPolarHBondContact CD1-O 3.16Å; I138-V403 PolarHBondContact N-O 3.15Å; I138-V403 PolarHBondContact O-N 2.97Å; I138-L405 HydrophobicContact CD1-CD1 3.79Å; I138-L405 HydrophobicContact CD1-CG 3.96Å
139E98.1Very high87.6Confident20 Ų2035.9 Ų35.99%0.09321%0.206CC..EExtended strand (participates in β ladder)trans-93.1119.2174.7-172.2-165.5149.200109.3L211 K212 F214 I401 M402E139-L211 CarbonylContact O-C 3.48Å; E139-L211 VanDerWaalsContact O-CA 3.3Å; E139-L211 WeakPolarHBondContact O-CA 3.41Å; E139-K212 HydrophobicContact CB-CB 4.25Å; E139-K212 PolarHBondContact N-O 3.37Å; E139-K212 PolarHBondContact O-N 3.44Å; E139-K212 IonicContact OE1-NZ 2.8Å; E139-K212 PolarHBondContact OE1-NZ 2.9Å; E139-K212 IonicContact OE2-NZ 3.12Å; E139-K212 PolarHBondContact OE2-NZ 3.19Å; E139-F214 HydrophobicContact CB-CE2 4.11Å; E139-I401 CarbonylContact C-O 3.55Å; E139-I401 WeakPolarHBondContact CA-O 3.21Å; E139-M402 HydrophobicContact CB-CE 3.87Å; E139-M402 HydrophobicContact CB-SD 4.29Å; E139-M402 HydrophobicContact CG-CE 4.22Å
140I98.4Very high89.4Confident1 Ų131.9 Ų31.91%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-117.4129.8177.4-57.6173.1000109.4I138 P142 L188 L203 N210 L211 L268 L272 S400 I401I138-I140 HydrophobicContact CG2-CD1 4.37Å; I138-I140 HydrophobicContact CG2-CG1 4Å; I140-P142 HydrophobicContact CG2-CB 4.46Å; I140-P142 VanDerWaalsContact O-CD 3.29Å; I140-P142 WeakPolarHBondContact O-CD 3.07Å; I140-L188 HydrophobicContact CG2-CD2 4.4Å; I140-L203 HydrophobicContact CG2-CD1 4Å; I140-N210 CarbonylContact C-O 3.56Å; I140-N210 WeakPolarHBondContact CA-O 3.46Å; I140-L211 HydrophobicContact CG1-CD1 3.83Å; I140-L268 HydrophobicContact CD1-CD1 4.21Å; I140-L268 HydrophobicContact CD1-CD2 4.17Å; I140-L268 HydrophobicContact CD1-CG 4.44Å; I140-L272 HydrophobicContact CD1-CD1 4.09Å; I140-S400 CarbonylContact O-C 3.59Å; I140-S400 VanDerWaalsContact O-CA 3.28Å; I140-S400 WeakPolarHBondContact O-CA 3.49Å; I140-I401 PolarHBondContact N-O 2.77Å; I140-I401 PolarHBondContact O-N 2.64Å
141K98.1Very high91.1Very high42 Ų4232.1 Ų32.118%0.18318%0.182CC..  trans-98.597.3165.2-64.2-170.2163.4-178.90109.3K143 N209 N210 S400 D440K141-K143 VanDerWaalsContact C-N 3.32Å; K141-K143 PolarHBondContact O-N 3.5Å; K141-N209 WeakPolarHBondContact CD-O 3.47Å; K141-N210 PolarHBondContact N-O 3.01Å; K141-N210 PolarHBondContact O-ND2 3.36Å; K141-S400 WeakPolarHBondContact CE-OG 3.47Å; K141-S400 WeakPolarHBondContact CG-OG 3.1Å; K141-D440 VanDerWaalsContact CE-OD2 3.23Å; K141-D440 WeakPolarHBondContact CE-OD2 3.48Å; K141-D440 IonicContact NZ-OD2 3.44Å; K141-D440 PolarHBondContact NZ-OD2 3.26Å
142P97.9Very high92.6Very high0 Ų033.1 Ų33.10%018%0.184CC..  trans-78.1-15.7-166.135-40.3000113.6I140 Y183 P185 L188 F189 C399 I401I140-P142 HydrophobicContact CG2-CB 4.46Å; I140-P142 VanDerWaalsContact O-CD 3.29Å; I140-P142 WeakPolarHBondContact O-CD 3.07Å; P142-Y183 WeakPolarHBondContact CA-OH 3.38Å; P142-Y183 PolarHBondContact O-OH 3.16Å; P142-P185 WeakPolarHBondContact O-CB 3.47Å; P142-L188 HydrophobicContact CB-CD2 3.83Å; P142-F189 HydrophobicContact CB-CE2 3.71Å; P142-F189 HydrophobicContact CB-CZ 3.79Å; P142-F189 HydrophobicContact CG-CE2 4.37Å; P142-F189 HydrophobicContact CG-CZ 4.03Å; P142-C399 WeakPolarHBondContact CD-O 3.5Å; P142-I401 HydrophobicContact CB-CD1 4.33Å; P142-I401 HydrophobicContact CG-CD1 3.93Å; P142-I401 HydrophobicContact CG-CG1 4.26Å
143K98.3Very high93.9Very high31 Ų3128.5 Ų28.514%0.13515%0.153CC..  trans60.8-166.3-178.4-49.9-60.7177.8-168.50112.2K141 G145 Y164 P185 N210 Q324 K397K141-K143 VanDerWaalsContact C-N 3.32Å; K141-K143 PolarHBondContact O-N 3.5Å; K143-G145 PolarHBondContact O-N 3.32Å; K143-Y164 HydrophobicContact CB-CD2 4.29Å; K143-Y164 HydrophobicContact CG-CD2 3.72Å; K143-Y164 HydrophobicContact CG-CE2 4.15Å; K143-P185 HydrophobicContact CB-CG 3.84Å; K143-N210 WeakPolarHBondContact CE-ND2 3.48Å; K143-N210 WeakPolarHBondContact CG-ND2 3.46Å; K143-Q324 PolarHBondContact O-NE2 3.32Å; K143-K397 WeakPolarHBondContact CA-O 3.16Å
144C98Very high94.7Very high18 Ų1831.2 Ų31.212%0.12217%0.173CC..  trans-78117.4-173.3-173.60000111.5F146 P185 K397C144-F146 VanDerWaalsContact SG-CD1 3.57Å; C144-F146 VanDerWaalsContact SG-CE1 3.55Å; C144-P185 WeakPolarHBondContact O-CB 3.43Å; C144-K397 HydrophobicContact CB-CD 4.18Å; C144-K397 HydrophobicContact CB-CG 4.05Å
145G96.7Very high95.1Very high8 Ų834.2 Ų34.28%0.08218%0.182CC..  trans-86.10.7-174.900000116.4K143K143-G145 PolarHBondContact O-N 3.32Å
146F95.8Very high95.3Very high35 Ų3537.9 Ų37.915%0.15420%0.2CC..SBendtrans-131.5168.3-17976.6-79.6000112.7C144 L321 Q324 M325 D327C144-F146 VanDerWaalsContact SG-CD1 3.57Å; C144-F146 VanDerWaalsContact SG-CE1 3.55Å; F146-L321 HydrophobicContact CB-CD1 4.11Å; F146-L321 HydrophobicContact CD1-CD1 4.36Å; F146-Q324 HydrophobicContact CD1-CB 4.22Å; F146-Q324 HydrophobicContact CE1-CB 3.93Å; F146-Q324 VanDerWaalsContact CE1-O 3.3Å; F146-Q324 WeakPolarHBondContact CE1-O 3.33Å; F146-M325 HydrophobicContact CD1-CG 3.87Å; F146-M325 HydrophobicContact CD2-CG 4.35Å; F146-M325 HydrophobicContact CE1-CG 4.12Å; F146-M325 HydrophobicContact CG-CG 4.02Å; F146-M325 HydrophobicContact CZ-CG 4.47Å; F146-D327 HydrophobicContact CZ-CB 4.35Å
147L95.5Very high95.4Very high3 Ų339.1 Ų39.12%0.01621%0.207CC..  trans-105.8139172.8-68.2165.8000110.1V161 C162 L186 R291 F293L147-V161 VanDerWaalsContact CD2-C 3.49Å; L147-C162 VanDerWaalsContact CD2-CA 3.5Å; L147-C162 HydrophobicContact CD2-CB 3.89Å; L147-L186 HydrophobicContact CD1-CD2 3.69Å; L147-L186 HydrophobicContact CG-CD2 3.78Å; L147-R291 HydrophobicContact CD1-CB 3.98Å; L147-F293 WeakPolarHBondContact CD1-O 3.32Å
148P94.6Very high95.5Very high21 Ų2139.4 Ų39.414%0.13621%0.208CC..  trans-63.6156.518028.2-36.8000112.9V153 K158 D330P148-V153 HydrophobicContact CB-CG1 3.91Å; P148-V153 HydrophobicContact CG-CG1 4.02Å; P148-K158 VanDerWaalsContact CD-O 3.24Å; P148-K158 WeakPolarHBondContact CD-O 3.38Å; P148-K158 HydrophobicContact CG-CB 4.04Å; P148-K158 WeakPolarHBondContact CG-O 3.49Å; P148-D330 HydrophobicContact CB-CB 4.03Å
149S90.7Very high95.3Very high16 Ų1640.1 Ų40.111%0.11221%0.212CC..  trans-69.2139.6175.4-178.60000110.9K151 H152 E289S149-K151 PolarHBondContact O-N 2.87Å; S149-K151 VanDerWaalsContact O-N 3.16Å; S149-H152 PolarHBondContact O-N 2.96Å; S149-E289 PolarHBondContact OG-OE2 3.21Å
150P90.6Very high95.2Very high86 Ų8643.1 Ų43.156%0.55822%0.223SC*.G310 helixtrans-60.3-22.5176.124.1-34000113.4H152 T159P150-H152 PolarHBondContact O-N 3.39Å; P150-T159 HydrophobicContact CB-CG2 4.03Å
151K91.9Very high95.1Very high142 Ų14243.1 Ų43.162%0.61722%0.223SC*.G310 helixtrans-63.2-24.2-177.9-65.4171.9-176.1160.40113.7S149 E289S149-K151 PolarHBondContact O-N 2.87Å; S149-K151 VanDerWaalsContact O-N 3.16Å; K151-E289 IonicContact NZ-OE1 3.9Å; K151-E289 PolarHBondContact NZ-OE1 2.96Å; K151-E289 IonicContact NZ-OE2 2.69Å; K151-E289 PolarHBondContact NZ-OE2 3.25Å
152H90.3Very high95.1Very high64 Ų6441.2 Ų41.230%0.29622%0.215SC..G310 helixtrans-124.413.9-168.8-51.4-64.9000114.1S149 P150 S328 L329 E332S149-H152 PolarHBondContact O-N 2.96Å; P150-H152 PolarHBondContact O-N 3.39Å; H152-S328 PolarHBondContact CD2-O 2.94Å; H152-L329 WeakPolarHBondContact CB-O 3.43Å; H152-E332 WeakPolarHBondContact O-CB 3.49Å
153V94.9Very high95.1Very high21 Ų2144.1 Ų44.113%0.12723%0.226CC..  trans-126.2137.8-179.4-62.80000111.1P148 K158 T159 D330P148-V153 HydrophobicContact CB-CG1 3.91Å; P148-V153 HydrophobicContact CG-CG1 4.02Å; V153-K158 HydrophobicContact CB-CB 4.39Å; V153-K158 HydrophobicContact CB-CD 4.2Å; V153-K158 HydrophobicContact CG1-CB 4.36Å; V153-K158 HydrophobicContact CG1-CD 4.2Å; V153-K158 HydrophobicContact CG2-CB 4.46Å; V153-T159 HydrophobicContact CG2-CG2 3.65Å; V153-D330 HydrophobicContact CG1-CB 3.81Å
154S94.9Very high95.1Very high85 Ų8543.3 Ų43.359%0.59422%0.222SC*.SBendtrans-82.4-17.2179.563.10000114.2E332S154-E332 WeakPolarHBondContact CB-OE2 3.27Å; S154-E332 PolarHBondContact N-OE2 3.37Å; S154-E332 PolarHBondContact OG-OE2 3.47Å
155K95.5Very high95.1Very high108 Ų10843.1 Ų43.147%0.4722%0.221SC..  trans-119.9117.3-176.9-58.2-60.6179.2-170.70111.2I157 K158 V460K155-I157 HydrophobicContact CB-CG2 4.26Å; K155-I157 PolarHBondContact O-N 3.35Å; K155-K158 WeakPolarHBondContact O-CB 3.39Å; K155-K158 PolarHBondContact O-N 2.98Å; K155-V460 HydrophobicContact CB-CG1 4.13Å; K155-V460 HydrophobicContact CG-CG1 4.06Å
156D94.3Very high95.1Very high94 Ų9443 Ų4350%0.50322%0.218SC..G310 helixtrans-49.9-36.8179.8176.562.4000113.3K158 T159 R160D156-K158 PolarHBondContact O-N 3.09Å; D156-T159 WeakPolarHBondContact O-CB 3.39Å; D156-T159 PolarHBondContact O-N 3.44Å; D156-T159 PolarHBondContact O-OG1 3.49Å; D156-R160 WeakPolarHBondContact OD2-CD 3.41Å; D156-R160 IonicContact OD2-NH1 3.2Å; D156-R160 PolarHBondContact OD2-NH1 3.3Å
157I95.8Very high95.2Very high27 Ų2743.1 Ų43.114%0.13822%0.219CC..G310 helixtrans-57-29.8-177.9-162.557.8000113.5K155 T159 R160 V161 M166 V460 Y463 L464K155-I157 HydrophobicContact CB-CG2 4.26Å; K155-I157 PolarHBondContact O-N 3.35Å; I157-T159 PolarHBondContact O-N 3.5Å; I157-R160 HydrophobicContact CD1-CB 4.46Å; I157-R160 PolarHBondContact O-N 3.23Å; I157-R160 VanDerWaalsContact O-N 3.08Å; I157-V161 HydrophobicContact CD1-CB 4.37Å; I157-V161 HydrophobicContact CD1-CG2 3.69Å; I157-V161 HydrophobicContact CG1-CB 4.42Å; I157-V161 HydrophobicContact CG1-CG2 4.26Å; I157-V161 PolarHBondContact O-N 2.91Å; I157-M166 HydrophobicContact CG1-SD 4.45Å; I157-M166 HydrophobicContact CG2-SD 4.25Å; I157-V460 HydrophobicContact CG2-CG1 3.95Å; I157-Y463 HydrophobicContact CD1-CE1 3.94Å; I157-Y463 HydrophobicContact CG1-CD1 3.82Å; I157-Y463 HydrophobicContact CG1-CE1 3.71Å; I157-L464 HydrophobicContact CB-CD2 4.19Å; I157-L464 HydrophobicContact CG1-CD2 4.46Å; I157-L464 HydrophobicContact CG2-CD2 3.98Å; I157-L464 HydrophobicContact CG2-CG 4.32Å
158K96.8Very high95.3Very high5 Ų543 Ų432%0.02222%0.219CC..G310 helixtrans-63-26.7177.4-66.9-178.963167.10112.1P148 V153 K155 D156 R160 M166 D330 E332 D456 V460P148-K158 VanDerWaalsContact CD-O 3.24Å; P148-K158 WeakPolarHBondContact CD-O 3.38Å; P148-K158 HydrophobicContact CG-CB 4.04Å; P148-K158 WeakPolarHBondContact CG-O 3.49Å; V153-K158 HydrophobicContact CB-CB 4.39Å; V153-K158 HydrophobicContact CB-CD 4.2Å; V153-K158 HydrophobicContact CG1-CB 4.36Å; V153-K158 HydrophobicContact CG1-CD 4.2Å; V153-K158 HydrophobicContact CG2-CB 4.46Å; K155-K158 WeakPolarHBondContact O-CB 3.39Å; K155-K158 PolarHBondContact O-N 2.98Å; D156-K158 PolarHBondContact O-N 3.09Å; K158-R160 VanDerWaalsContact C-N 3.34Å; K158-M166 HydrophobicContact CG-CE 4.33Å; K158-D330 WeakPolarHBondContact CE-OD1 3.47Å; K158-D330 VanDerWaalsContact NZ-CG 3.3Å; K158-D330 IonicContact NZ-OD1 2.81Å; K158-D330 PolarHBondContact NZ-OD1 2.79Å; K158-D330 IonicContact NZ-OD2 2.65Å; K158-D330 PolarHBondContact NZ-OD2 2.96Å; K158-E332 VanDerWaalsContact CD-OE1 3.28Å; K158-E332 WeakPolarHBondContact CD-OE1 3.32Å; K158-E332 IonicContact NZ-OE1 2.83Å; K158-E332 PolarHBondContact NZ-OE1 3.16Å; K158-D456 IonicContact NZ-OD1 2.73Å; K158-D456 IonicContact NZ-OD2 2.67Å; K158-D456 PolarHBondContact NZ-OD2 3.37Å; K158-V460 HydrophobicContact CD-CG2 4.03Å; K158-V460 HydrophobicContact CG-CG2 3.9Å
159T95.1Very high95.4Very high16 Ų1642.7 Ų42.710%0.09822%0.215CC..G310 helixtrans-86.2-6.3178.976.30000113.4P150 V153 D156 I157P150-T159 HydrophobicContact CB-CG2 4.03Å; V153-T159 HydrophobicContact CG2-CG2 3.65Å; D156-T159 WeakPolarHBondContact O-CB 3.39Å; D156-T159 PolarHBondContact O-N 3.44Å; D156-T159 PolarHBondContact O-OG1 3.49Å; I157-T159 PolarHBondContact O-N 3.5Å
160R94.5Very high95.6Very high82 Ų8244.4 Ų44.431%0.30922%0.219SC..THydrogen-bonded Turntrans-118.1-34.9-173.1-65.6172.462.7-175.5-3.9112.8D156 I157 K158 E295D156-R160 WeakPolarHBondContact OD2-CD 3.41Å; D156-R160 IonicContact OD2-NH1 3.2Å; D156-R160 PolarHBondContact OD2-NH1 3.3Å; I157-R160 HydrophobicContact CD1-CB 4.46Å; I157-R160 PolarHBondContact O-N 3.23Å; I157-R160 VanDerWaalsContact O-N 3.08Å; K158-R160 VanDerWaalsContact C-N 3.34Å; R160-E295 HydrophobicContact CB-CG 4.31Å; R160-E295 IonicContact CZ-OE1 2.71Å; R160-E295 IonicContact CZ-OE2 3.37Å; R160-E295 IonicContact NE-OE1 2.91Å; R160-E295 PolarHBondContact NE-OE1 2.79Å; R160-E295 IonicContact NE-OE2 2.56Å; R160-E295 PolarHBondContact NE-OE2 3.21Å; R160-E295 IonicContact NH2-OE1 2.69Å; R160-E295 PolarHBondContact NH2-OE1 2.98Å; R160-E295 IonicContact NH2-OE2 3.48Å; R160-E295 PolarHBondContact NH2-OE2 3.42Å; R160-E295 PolarHBondContact O-N 2.94Å
161V96.8Very high95.8Very high2 Ų241 Ų411%0.01220%0.196CC..SBendtrans-123.1129.9-178.2-177.20000109.9L147 I157 C165 M166 E295 A296 Y463L147-V161 VanDerWaalsContact CD2-C 3.49Å; I157-V161 HydrophobicContact CD1-CB 4.37Å; I157-V161 HydrophobicContact CD1-CG2 3.69Å; I157-V161 HydrophobicContact CG1-CB 4.42Å; I157-V161 HydrophobicContact CG1-CG2 4.26Å; I157-V161 PolarHBondContact O-N 2.91Å; V161-C165 HydrophobicContact CG1-CB 3.86Å; V161-M166 HydrophobicContact CB-CG 4.09Å; V161-M166 HydrophobicContact CG1-CG 3.6Å; V161-M166 WeakPolarHBondContact O-CE 3.4Å; V161-E295 HydrophobicContact CG2-CB 4.22Å; V161-A296 HydrophobicContact CG1-CB 3.58Å; V161-A296 HydrophobicContact CG2-CB 4.33Å; V161-Y463 HydrophobicContact CB-CE1 4.31Å; V161-Y463 HydrophobicContact CG1-CE1 4.25Å; V161-Y463 HydrophobicContact CG1-CE2 4.43Å; V161-Y463 HydrophobicContact CG2-CE1 4.06Å
162C97.3Very high95.9Very high1 Ų136.1 Ų36.11%0.00718%0.178CC..  trans-71.8152.9-176.478.90000112.1L147 Y164 C165 M166 L186 C294L147-C162 VanDerWaalsContact CD2-CA 3.5Å; L147-C162 HydrophobicContact CD2-CB 3.89Å; C162-Y164 PolarHBondContact O-N 2.59Å; C162-Y164 VanDerWaalsContact O-N 3.13Å; C162-C165 PolarHBondContact O-N 2.85Å; C162-C165 VanDerWaalsContact O-N 3.12Å; C162-C165 PolarHBondContact SG-SG 3.09Å; C162-M166 PolarHBondContact O-N 3.24Å; C162-M166 VanDerWaalsContact O-N 3.11Å; C162-L186 HydrophobicContact CB-CD1 3.62Å; C162-C294 PolarHBondContact N-SG 3.37Å
163R98.1Very high96Very high61 Ų6136.5 Ų36.523%0.2319%0.192CC..Hα-helixtrans-53-37179.8-178.5172.9171.6111.5-9.6112.6H167 D456R163-H167 WeakPolarHBondContact O-CB 3.36Å; R163-H167 PolarHBondContact O-N 3.32Å; R163-D456 IonicContact CZ-OD1 2.7Å; R163-D456 VanDerWaalsContact NH1-CB 3.3Å; R163-D456 IonicContact NH1-OD1 3.11Å; R163-D456 PolarHBondContact NH1-OD1 3.34Å
164Y98.4Very high95.9Very high14 Ų1440.2 Ų40.26%0.05521%0.211CC..Hα-helixtrans-63.3-51.3178.2-179.2-95.2000112.2K143 C162 M166 H167 Q168 S181 Y183 P185 N210K143-Y164 HydrophobicContact CB-CD2 4.29Å; K143-Y164 HydrophobicContact CG-CD2 3.72Å; K143-Y164 HydrophobicContact CG-CE2 4.15Å; C162-Y164 PolarHBondContact O-N 2.59Å; C162-Y164 VanDerWaalsContact O-N 3.13Å; Y164-M166 VanDerWaalsContact C-N 3.35Å; Y164-M166 PolarHBondContact O-N 3.45Å; Y164-H167 PolarHBondContact O-N 2.72Å; Y164-H167 VanDerWaalsContact O-N 3.15Å; Y164-Q168 HydrophobicContact CD1-CG 4.17Å; Y164-Q168 HydrophobicContact CE1-CG 3.74Å; Y164-Q168 PolarHBondContact O-N 2.9Å; Y164-Q168 PolarHBondContact OH-NE2 3.22Å; Y164-Q168 VanDerWaalsContact OH-NE2 3.09Å; Y164-S181 WeakPolarHBondContact OH-CB 3.38Å; Y164-Y183 HydrophobicContact CD1-CD1 4.06Å; Y164-Y183 VanDerWaalsContact CD1-O 3.28Å; Y164-Y183 WeakPolarHBondContact CD1-O 3.35Å; Y164-Y183 AromaticContact CE1-CD1 3.55Å; Y164-Y183 HydrophobicContact CE1-CD1 3.55Å; Y164-Y183 HydrophobicContact CE1-CE1 4.43Å; Y164-Y183 HydrophobicContact CE1-CG 4.3Å; Y164-Y183 WeakPolarHBondContact CE1-O 3.44Å; Y164-Y183 HydrophobicContact CE2-CD1 4.25Å; Y164-Y183 AromaticContact CZ-CD1 3.61Å; Y164-P185 HydrophobicContact CD1-CG 4.42Å; Y164-P185 HydrophobicContact CG-CG 4.03Å; Y164-N210 WeakPolarHBondContact CE2-OD1 3.46Å; Y164-N210 PolarHBondContact OH-OD1 3.19Å
165C97.9Very high95.6Very high15 Ų1539 Ų3910%0.10121%0.213CC..Hα-helixtrans-62.4-41.6-178.9-66.90000111.4V161 C162 Q168 H169 A296V161-C165 HydrophobicContact CG1-CB 3.86Å; C162-C165 PolarHBondContact O-N 2.85Å; C162-C165 VanDerWaalsContact O-N 3.12Å; C162-C165 PolarHBondContact SG-SG 3.09Å; C165-Q168 PolarHBondContact O-N 3.44Å; C165-H169 PolarHBondContact O-CD2 2.67Å; C165-A296 HydrophobicContact CB-CB 3.67Å
166M98.2Very high95.3Very high4 Ų437.3 Ų37.32%0.0221%0.205CC..Hα-helixtrans-63.1-44.1173.2-63.8-168.8-74.600111.8I157 K158 V161 C162 Y164 Q168 H169 I459 V460 Y463I157-M166 HydrophobicContact CG1-SD 4.45Å; I157-M166 HydrophobicContact CG2-SD 4.25Å; K158-M166 HydrophobicContact CG-CE 4.33Å; V161-M166 HydrophobicContact CB-CG 4.09Å; V161-M166 HydrophobicContact CG1-CG 3.6Å; V161-M166 WeakPolarHBondContact O-CE 3.4Å; C162-M166 PolarHBondContact O-N 3.24Å; C162-M166 VanDerWaalsContact O-N 3.11Å; Y164-M166 VanDerWaalsContact C-N 3.35Å; Y164-M166 PolarHBondContact O-N 3.45Å; M166-Q168 VanDerWaalsContact C-N 3.27Å; M166-Q168 PolarHBondContact O-N 3.08Å; M166-H169 WeakPolarHBondContact O-CB 3.28Å; M166-H169 PolarHBondContact O-N 2.76Å; M166-I459 HydrophobicContact CB-CG2 3.54Å; M166-V460 HydrophobicContact CE-CG2 4.15Å; M166-V460 HydrophobicContact SD-CG2 4.24Å; M166-Y463 HydrophobicContact CB-CD2 4.05Å; M166-Y463 HydrophobicContact CB-CG 3.98Å; M166-Y463 HydrophobicContact CG-CD1 3.82Å; M166-Y463 HydrophobicContact CG-CD2 3.93Å; M166-Y463 HydrophobicContact CG-CE1 4.23Å; M166-Y463 HydrophobicContact CG-CE2 4.31Å; M166-Y463 HydrophobicContact CG-CG 3.65Å; M166-Y463 HydrophobicContact SD-CD1 4.05Å; M166-Y463 HydrophobicContact SD-CG 4.24Å
167H97.8Very high95.1Very high38 Ų3833.6 Ų33.618%0.17618%0.184CC..Hα-helixtrans-66.5-27-178.5-164.9176.5000112.4R163 Y164 H169 Y170 K171 I459R163-H167 WeakPolarHBondContact O-CB 3.36Å; R163-H167 PolarHBondContact O-N 3.32Å; Y164-H167 PolarHBondContact O-N 2.72Å; Y164-H167 VanDerWaalsContact O-N 3.15Å; H167-H169 VanDerWaalsContact C-N 3.28Å; H167-H169 PolarHBondContact O-N 3.35Å; H167-Y170 AromaticContact CD2-CD1 3.86Å; H167-Y170 PolarHBondContact O-N 2.88Å; H167-K171 WeakPolarHBondContact O-CG 3.28Å; H167-K171 PolarHBondContact O-N 3.38Å; H167-I459 HydrophobicContact CB-CD1 3.93Å; H167-I459 HydrophobicContact CB-CG1 4.21Å; H167-I459 HydrophobicContact CB-CG2 4.11Å
168Q96.9Very high94.7Very high2 Ų238.5 Ų38.51%0.00921%0.205CC..Hα-helixtrans-57-41.3172.6-76-63.7-46.300112Y164 C165 M166 K171 V172 R180Y164-Q168 HydrophobicContact CD1-CG 4.17Å; Y164-Q168 HydrophobicContact CE1-CG 3.74Å; Y164-Q168 PolarHBondContact O-N 2.9Å; Y164-Q168 PolarHBondContact OH-NE2 3.22Å; Y164-Q168 VanDerWaalsContact OH-NE2 3.09Å; C165-Q168 PolarHBondContact O-N 3.44Å; M166-Q168 VanDerWaalsContact C-N 3.27Å; M166-Q168 PolarHBondContact O-N 3.08Å; Q168-K171 PolarHBondContact O-N 3.15Å; Q168-V172 WeakPolarHBondContact O-CG2 3.1Å; Q168-V172 PolarHBondContact O-N 2.72Å; Q168-R180 HydrophobicContact CB-CB 4.23Å; Q168-R180 HydrophobicContact CB-CG 4.28Å
169H96Very high94.4Very high14 Ų1443 Ų437%0.06522%0.221CC..Hα-helixtrans-61.5-48.4175-73.8-114.8000111.5C165 M166 H167 K171 V172 A173 R180 Y463 T466C165-H169 PolarHBondContact O-CD2 2.67Å; M166-H169 WeakPolarHBondContact O-CB 3.28Å; M166-H169 PolarHBondContact O-N 2.76Å; H167-H169 VanDerWaalsContact C-N 3.28Å; H167-H169 PolarHBondContact O-N 3.35Å; H169-K171 VanDerWaalsContact C-N 3.33Å; H169-K171 PolarHBondContact O-N 3.11Å; H169-V172 PolarHBondContact O-N 3.04Å; H169-A173 VanDerWaalsContact O-CB 3.29Å; H169-A173 WeakPolarHBondContact O-CB 3.37Å; H169-A173 PolarHBondContact O-N 3.26Å; H169-R180 PolarHBondContact CE1-NH1 3.11Å; H169-R180 PolarHBondContact NE2-NH1 3.18Å; H169-Y463 HydrophobicContact CB-CD2 4.38Å; H169-Y463 AromaticContact CD2-CD2 3.57Å; H169-Y463 AromaticContact CD2-CE2 3.61Å; H169-Y463 AromaticContact CE1-CE2 3.99Å; H169-Y463 AromaticContact CG-CD2 3.85Å; H169-Y463 AromaticContact NE2-CD2 3.82Å; H169-Y463 AromaticContact NE2-CE2 3.43Å; H169-Y463 WeakPolarHBondContact NE2-CE2 3.4Å; H169-T466 PolarHBondContact ND1-OG1 2.84Å
170Y96.2Very high94.3Very high51 Ų5145.7 Ų45.720%0.223%0.23CC..Hα-helixtrans-62-40.3179.3-179.5-93.1000112H167 N174 L455 K458 I459 C462H167-Y170 AromaticContact CD2-CD1 3.86Å; H167-Y170 PolarHBondContact O-N 2.88Å; Y170-N174 WeakPolarHBondContact CD2-ND2 3.34Å; Y170-N174 VanDerWaalsContact CE1-ND2 3.31Å; Y170-N174 WeakPolarHBondContact CE1-ND2 3.43Å; Y170-N174 WeakPolarHBondContact CE2-ND2 3.12Å; Y170-N174 WeakPolarHBondContact O-CB 3.27Å; Y170-N174 PolarHBondContact O-N 3.12Å; Y170-N174 VanDerWaalsContact O-N 3.11Å; Y170-N174 PolarHBondContact O-ND2 2.7Å; Y170-L455 HydrophobicContact CE1-CD1 4.2Å; Y170-K458 HydrophobicContact CD2-CB 4.43Å; Y170-K458 HydrophobicContact CE2-CB 3.8Å; Y170-K458 HydrophobicContact CE2-CD 4.49Å; Y170-I459 HydrophobicContact CD1-CG1 4.41Å; Y170-I459 HydrophobicContact CG-CG1 4.28Å; Y170-C462 HydrophobicContact CD2-CB 3.88Å
171K94.4Very high94.4Very high15 Ų1542.2 Ų42.27%0.06522%0.218CC..Hα-helixtrans-65.6-42.7178.2-70.9-174.4-174.1175.20112.3H167 Q168 H169 N174 G175 K176H167-K171 WeakPolarHBondContact O-CG 3.28Å; H167-K171 PolarHBondContact O-N 3.38Å; Q168-K171 PolarHBondContact O-N 3.15Å; H169-K171 VanDerWaalsContact C-N 3.33Å; H169-K171 PolarHBondContact O-N 3.11Å; K171-N174 PolarHBondContact O-N 2.85Å; K171-G175 PolarHBondContact O-N 3.41Å; K171-K176 HydrophobicContact CB-CB 4.18Å; K171-K176 HydrophobicContact CB-CD 4.45Å; K171-K176 HydrophobicContact CD-CD 4.05Å; K171-K176 HydrophobicContact CG-CD 3.98Å; K171-K176 WeakPolarHBondContact O-CB 3.13Å; K171-K176 PolarHBondContact O-N 3.2Å
172V93.4Very high94.3Very high39 Ų3945 Ų4524%0.23623%0.232CC..Hα-helixtrans-68.4-44.8178.2173.90000111.1Q168 H169 N174 G175 W177 R180Q168-V172 WeakPolarHBondContact O-CG2 3.1Å; Q168-V172 PolarHBondContact O-N 2.72Å; H169-V172 PolarHBondContact O-N 3.04Å; V172-N174 PolarHBondContact O-N 3.45Å; V172-G175 PolarHBondContact O-N 3.01Å; V172-W177 WeakPolarHBondContact CA-O 3.4Å; V172-R180 HydrophobicContact CG2-CG 3.79Å
173A93Very high94.4Very high72 Ų7244.9 Ų44.960%0.59523%0.232SC*.Hα-helixtrans-60.8-29.717800000113.3H169H169-A173 VanDerWaalsContact O-CB 3.29Å; H169-A173 WeakPolarHBondContact O-CB 3.37Å; H169-A173 PolarHBondContact O-N 3.26Å
174N91.8Very high94.4Very high99 Ų9942 Ų4253%0.52922%0.221SC..THydrogen-bonded Turntrans-94.712.8175.8-68.1-68.8000113.4Y170 K171 V172 K176Y170-N174 WeakPolarHBondContact CD2-ND2 3.34Å; Y170-N174 VanDerWaalsContact CE1-ND2 3.31Å; Y170-N174 WeakPolarHBondContact CE1-ND2 3.43Å; Y170-N174 WeakPolarHBondContact CE2-ND2 3.12Å; Y170-N174 WeakPolarHBondContact O-CB 3.27Å; Y170-N174 PolarHBondContact O-N 3.12Å; Y170-N174 VanDerWaalsContact O-N 3.11Å; Y170-N174 PolarHBondContact O-ND2 2.7Å; K171-N174 PolarHBondContact O-N 2.85Å; V172-N174 PolarHBondContact O-N 3.45Å; N174-K176 PolarHBondContact O-N 3.12Å; N174-K176 VanDerWaalsContact O-N 3.13Å
175G90.1Very high94.4Very high61 Ų6141.3 Ų41.363%0.62922%0.218SC*.THydrogen-bonded Turntrans68.88.9176.400000115.6K171 V172 W177K171-G175 PolarHBondContact O-N 3.41Å; V172-G175 PolarHBondContact O-N 3.01Å; G175-W177 VanDerWaalsContact C-N 3.3Å; G175-W177 PolarHBondContact O-N 2.88Å
176K89.5Confident94.3Very high71 Ų7140.9 Ų40.931%0.30922%0.215SC..SBendtrans-66-36178.4-174.7178.2173.978.20111.8K171 N174 E225K171-K176 HydrophobicContact CB-CB 4.18Å; K171-K176 HydrophobicContact CB-CD 4.45Å; K171-K176 HydrophobicContact CD-CD 4.05Å; K171-K176 HydrophobicContact CG-CD 3.98Å; K171-K176 WeakPolarHBondContact O-CB 3.13Å; K171-K176 PolarHBondContact O-N 3.2Å; N174-K176 PolarHBondContact O-N 3.12Å; N174-K176 VanDerWaalsContact O-N 3.13Å; K176-E225 WeakPolarHBondContact CE-OE1 3.31Å; K176-E225 WeakPolarHBondContact CG-OE1 3.48Å; K176-E225 VanDerWaalsContact NZ-CD 3.35Å; K176-E225 IonicContact NZ-OE1 2.75Å; K176-E225 PolarHBondContact NZ-OE1 2.83Å; K176-E225 IonicContact NZ-OE2 3.2Å; K176-E225 PolarHBondContact NZ-OE2 3.09Å
177W89.6Confident94.2Very high17 Ų1740.7 Ų40.76%0.06421%0.214CC..  trans-135.4145.8173.2-63.7120.5000109.2V172 G175 Q208 N209 E225V172-W177 WeakPolarHBondContact CA-O 3.4Å; G175-W177 VanDerWaalsContact C-N 3.3Å; G175-W177 PolarHBondContact O-N 2.88Å; W177-Q208 VanDerWaalsContact CD1-CD 3.41Å; W177-Q208 HydrophobicContact CD2-CB 4.03Å; W177-Q208 HydrophobicContact CD2-CG 3.67Å; W177-Q208 HydrophobicContact CE3-CB 4.36Å; W177-Q208 HydrophobicContact CE3-CG 4.01Å; W177-Q208 HydrophobicContact CG-CG 3.98Å; W177-Q208 HydrophobicContact CH2-CB 3.95Å; W177-Q208 HydrophobicContact CH2-CG 4.48Å; W177-Q208 HydrophobicContact CZ2-CB 3.54Å; W177-Q208 HydrophobicContact CZ2-CG 4.16Å; W177-Q208 HydrophobicContact CZ3-CB 4.33Å; W177-Q208 HydrophobicContact CZ3-CG 4.4Å; W177-N209 HydrophobicContact CZ2-CB 4.16Å; W177-E225 HydrophobicContact CH2-CB 4.19Å; W177-E225 HydrophobicContact CH2-CG 4.5Å
178K87.8Confident94.2Very high130 Ų13039 Ų3957%0.56521%0.206SC*.SBendtrans-71.8-37.9-179.5-66.7-172.2170-162.70113.2D228K178-D228 WeakPolarHBondContact CE-OD1 3.38Å; K178-D228 VanDerWaalsContact NZ-CA 3.26Å; K178-D228 IonicContact NZ-OD1 2.61Å; K178-D228 PolarHBondContact NZ-OD1 3.31Å; K178-D228 IonicContact NZ-OD2 3.38Å
179R90.5Very high94.1Very high99 Ų9939.3 Ų39.337%0.37421%0.208SC..SBendtrans-132.6155-176.665-175.4-178.2169.79.2111.1E205 E206 Q208R179-E205 PolarHBondContact NH2-O 3.29Å; R179-E206 HydrophobicContact CG-CG 4.32Å; R179-E206 IonicContact CZ-OE2 2.79Å; R179-E206 IonicContact NE-OE2 2.85Å; R179-E206 PolarHBondContact NE-OE2 3.49Å; R179-E206 IonicContact NH2-OE2 3.34Å; R179-E206 PolarHBondContact NH2-OE2 3.17Å; R179-Q208 PolarHBondContact O-NE2 3.37Å
180R92.7Very high94Very high73 Ų7339.3 Ų39.328%0.27521%0.209SC..  trans-76.9139.3176.3-58.1-174.5-43.1174.37.9109.5Q168 H169 V172Q168-R180 HydrophobicContact CB-CB 4.23Å; Q168-R180 HydrophobicContact CB-CG 4.28Å; H169-R180 PolarHBondContact CE1-NH1 3.11Å; H169-R180 PolarHBondContact NE2-NH1 3.18Å; V172-R180 HydrophobicContact CG2-CG 3.79Å
181S95.1Very high93.8Very high8 Ų837.4 Ų37.46%0.05621%0.205CC..  trans-74.4140.4162.1-173.80000110.3Y164 Y183 E206Y164-S181 WeakPolarHBondContact OH-CB 3.38Å; S181-Y183 VanDerWaalsContact C-N 3.27Å; S181-Y183 VanDerWaalsContact OG-CB 3.28Å; S181-Y183 WeakPolarHBondContact OG-CB 3.27Å; S181-Y183 PolarHBondContact OG-N 3.31Å; S181-E206 PolarHBondContact OG-O 2.92Å
182L96.1Very high93.6Very high60 Ų6037.8 Ų37.831%0.31421%0.208SC..  trans-86.70.6171.1-60-179000112.4C184 H202 L298L182-C184 PolarHBondContact O-N 3.22Å; L182-H202 HydrophobicContact CB-CB 4.12Å; L182-H202 WeakPolarHBondContact CB-CD2 3.3Å; L182-L298 HydrophobicContact CD1-CD1 4.1Å; L182-L298 HydrophobicContact CD2-CD1 3.72Å; L182-L298 HydrophobicContact CG-CD1 4.47Å
183Y98.1Very high93.5Very high0 Ų042.9 Ų42.90%022%0.223CC..  trans-58.2134172.3169.6-115000111.1P142 Y164 S181 P185 L188 A199 L203P142-Y183 WeakPolarHBondContact CA-OH 3.38Å; P142-Y183 PolarHBondContact O-OH 3.16Å; Y164-Y183 HydrophobicContact CD1-CD1 4.06Å; Y164-Y183 VanDerWaalsContact CD1-O 3.28Å; Y164-Y183 WeakPolarHBondContact CD1-O 3.35Å; Y164-Y183 AromaticContact CE1-CD1 3.55Å; Y164-Y183 HydrophobicContact CE1-CD1 3.55Å; Y164-Y183 HydrophobicContact CE1-CE1 4.43Å; Y164-Y183 HydrophobicContact CE1-CG 4.3Å; Y164-Y183 WeakPolarHBondContact CE1-O 3.44Å; Y164-Y183 HydrophobicContact CE2-CD1 4.25Å; Y164-Y183 AromaticContact CZ-CD1 3.61Å; S181-Y183 VanDerWaalsContact C-N 3.27Å; S181-Y183 VanDerWaalsContact OG-CB 3.28Å; S181-Y183 WeakPolarHBondContact OG-CB 3.27Å; S181-Y183 PolarHBondContact OG-N 3.31Å; Y183-P185 HydrophobicContact CE1-CG 3.84Å; Y183-L188 HydrophobicContact CE2-CB 4.02Å; Y183-L188 HydrophobicContact CE2-CD2 4.18Å; Y183-L188 VanDerWaalsContact OH-CD2 3.23Å; Y183-L188 WeakPolarHBondContact OH-CD2 3.33Å; Y183-A199 HydrophobicContact CD2-CB 3.93Å; Y183-A199 WeakPolarHBondContact CD2-O 3.39Å; Y183-A199 HydrophobicContact CE2-CB 3.96Å; Y183-L203 HydrophobicContact CD1-CD2 3.75Å; Y183-L203 HydrophobicContact CD1-CG 4.3Å; Y183-L203 HydrophobicContact CD2-CD1 3.83Å; Y183-L203 HydrophobicContact CD2-CD2 3.86Å; Y183-L203 HydrophobicContact CD2-CG 3.45Å; Y183-L203 VanDerWaalsContact CD2-CG 3.45Å; Y183-L203 HydrophobicContact CE1-CD2 4.02Å; Y183-L203 HydrophobicContact CE2-CD1 3.57Å; Y183-L203 HydrophobicContact CE2-CD2 4.1Å; Y183-L203 HydrophobicContact CE2-CG 3.74Å; Y183-L203 HydrophobicContact CG-CD1 4.49Å; Y183-L203 HydrophobicContact CG-CD2 3.66Å; Y183-L203 HydrophobicContact CG-CG 3.74Å
184C98.3Very high93.6Very high0 Ų044.5 Ų44.50%022%0.218CC..  trans-123.8124.6169.5-171.10000110.1L182 L186 D187 L188 C294L182-C184 PolarHBondContact O-N 3.22Å; C184-L186 VanDerWaalsContact C-N 3.29Å; C184-L186 PolarHBondContact O-N 3.12Å; C184-D187 HydrophobicContact CB-CB 4.44Å; C184-D187 WeakPolarHBondContact CB-OD2 3.45Å; C184-D187 WeakPolarHBondContact O-CB 3.4Å; C184-D187 PolarHBondContact O-N 3.46Å; C184-D187 VanDerWaalsContact O-N 3.09Å; C184-L188 PolarHBondContact O-N 2.65Å; C184-C294 WeakPolarHBondContact SG-CB 3.46Å
185P98.2Very high93.7Very high0 Ų040 Ų400%019%0.194CC..Hα-helixtrans-55.6-40.5175.8-3137.8000113.9P142 K143 C144 Y164 Y183 D187 L188 F189P142-P185 WeakPolarHBondContact O-CB 3.47Å; K143-P185 HydrophobicContact CB-CG 3.84Å; C144-P185 WeakPolarHBondContact O-CB 3.43Å; Y164-P185 HydrophobicContact CD1-CG 4.42Å; Y164-P185 HydrophobicContact CG-CG 4.03Å; Y183-P185 HydrophobicContact CE1-CG 3.84Å; P185-D187 PolarHBondContact O-N 3.19Å; P185-D187 VanDerWaalsContact O-N 3.12Å; P185-L188 WeakPolarHBondContact O-CB 3.41Å; P185-L188 PolarHBondContact O-N 2.85Å; P185-F189 HydrophobicContact CB-CD2 4.43Å; P185-F189 VanDerWaalsContact O-CD2 3.31Å; P185-F189 WeakPolarHBondContact O-CD2 3.43Å; P185-F189 PolarHBondContact O-N 2.56Å
186L96.4Very high94Very high5 Ų537.2 Ų37.23%0.02616%0.164CC..Hα-helixtrans-59.7-27.3179.8-87.770.3000112.5L147 C162 C184 S190 R195 C294L147-L186 HydrophobicContact CD1-CD2 3.69Å; L147-L186 HydrophobicContact CG-CD2 3.78Å; C162-L186 HydrophobicContact CB-CD1 3.62Å; C184-L186 VanDerWaalsContact C-N 3.29Å; C184-L186 PolarHBondContact O-N 3.12Å; L186-S190 WeakPolarHBondContact O-CB 3.37Å; L186-S190 PolarHBondContact O-N 3.33Å; L186-R195 VanDerWaalsContact C-NH2 3.3Å; L186-R195 PolarHBondContact O-NH2 2.93Å; L186-C294 HydrophobicContact CB-CB 4.42Å; L186-C294 HydrophobicContact CD2-CB 4.05Å
187D96.7Very high94.3Very high1 Ų136 Ų361%0.00516%0.159CC..Hα-helixtrans-75.5-37.6175.4-66.5-29.4000111.9C184 P185 S190 R195 M196 A199 S297C184-D187 HydrophobicContact CB-CB 4.44Å; C184-D187 WeakPolarHBondContact CB-OD2 3.45Å; C184-D187 WeakPolarHBondContact O-CB 3.4Å; C184-D187 PolarHBondContact O-N 3.46Å; C184-D187 VanDerWaalsContact O-N 3.09Å; P185-D187 PolarHBondContact O-N 3.19Å; P185-D187 VanDerWaalsContact O-N 3.12Å; D187-S190 WeakPolarHBondContact O-CB 3.37Å; D187-S190 PolarHBondContact O-N 3.29Å; D187-S190 PolarHBondContact O-OG 3.39Å; D187-R195 HydrophobicContact CB-CB 4.03Å; D187-R195 CarbonylContact O-C 3.49Å; D187-R195 IonicContact OD1-CZ 3.36Å; D187-R195 IonicContact OD1-NE 3.11Å; D187-R195 PolarHBondContact OD1-NE 3.33Å; D187-R195 IonicContact OD1-NH2 2.69Å; D187-R195 PolarHBondContact OD1-NH2 2.73Å; D187-M196 PolarHBondContact O-N 3.24Å; D187-A199 HydrophobicContact CB-CB 3.89Å; D187-S297 WeakPolarHBondContact OD2-CB 3.28Å; D187-S297 PolarHBondContact OD2-OG 3.28Å
188L97.1Very high94.6Very high1 Ų136.9 Ų36.91%0.00516%0.164CC..Hα-helixtrans-67.9-41.6174.9-172.867000112I140 P142 Y183 C184 P185 S190 M196 A199 I200 L272I140-L188 HydrophobicContact CG2-CD2 4.4Å; P142-L188 HydrophobicContact CB-CD2 3.83Å; Y183-L188 HydrophobicContact CE2-CB 4.02Å; Y183-L188 HydrophobicContact CE2-CD2 4.18Å; Y183-L188 VanDerWaalsContact OH-CD2 3.23Å; Y183-L188 WeakPolarHBondContact OH-CD2 3.33Å; C184-L188 PolarHBondContact O-N 2.65Å; P185-L188 WeakPolarHBondContact O-CB 3.41Å; P185-L188 PolarHBondContact O-N 2.85Å; L188-S190 PolarHBondContact O-N 3.42Å; L188-M196 HydrophobicContact CD1-CE 4.26Å; L188-M196 WeakPolarHBondContact O-CG 3.33Å; L188-A199 HydrophobicContact CB-CB 4.09Å; L188-I200 HydrophobicContact CD1-CD1 4.46Å; L188-I200 HydrophobicContact CD1-CG1 3.98Å; L188-L272 HydrophobicContact CD1-CD1 4.07Å
189F96Very high95.1Very high10 Ų1030.7 Ų30.74%0.04414%0.137CC..THydrogen-bonded Turntrans-83.310.3178.6-73.9-84.7000113.5P142 P185 L311 L317 I320 L321P142-F189 HydrophobicContact CB-CE2 3.71Å; P142-F189 HydrophobicContact CB-CZ 3.79Å; P142-F189 HydrophobicContact CG-CE2 4.37Å; P142-F189 HydrophobicContact CG-CZ 4.03Å; P185-F189 HydrophobicContact CB-CD2 4.43Å; P185-F189 VanDerWaalsContact O-CD2 3.31Å; P185-F189 WeakPolarHBondContact O-CD2 3.43Å; P185-F189 PolarHBondContact O-N 2.56Å; F189-L311 HydrophobicContact CB-CD1 4.26Å; F189-L311 HydrophobicContact CD1-CD1 4.05Å; F189-L311 VanDerWaalsContact O-CD1 3.24Å; F189-L311 WeakPolarHBondContact O-CD1 3.32Å; F189-L311 WeakPolarHBondContact O-CG 3.37Å; F189-L317 HydrophobicContact CD1-CB 4.13Å; F189-L317 HydrophobicContact CD1-CD2 4.19Å; F189-L317 HydrophobicContact CE1-CB 4.22Å; F189-L317 HydrophobicContact CE1-CD2 3.79Å; F189-L317 WeakPolarHBondContact CE1-O 3.38Å; F189-L317 HydrophobicContact CZ-CD2 4.18Å; F189-I320 HydrophobicContact CE1-CB 4.31Å; F189-I320 HydrophobicContact CE1-CG2 3.99Å; F189-I320 HydrophobicContact CZ-CG2 3.94Å; F189-L321 HydrophobicContact CD1-CB 3.95Å; F189-L321 HydrophobicContact CD1-CD1 4.37Å; F189-L321 HydrophobicContact CE1-CB 4.19Å
190S93.4Very high95.5Very high13 Ų1326 Ų269%0.09112%0.119CC..THydrogen-bonded Turntrans-78.4-21.3-173.966.60000115L186 D187 L188 N192 R195L186-S190 WeakPolarHBondContact O-CB 3.37Å; L186-S190 PolarHBondContact O-N 3.33Å; D187-S190 WeakPolarHBondContact O-CB 3.37Å; D187-S190 PolarHBondContact O-N 3.29Å; D187-S190 PolarHBondContact O-OG 3.39Å; L188-S190 PolarHBondContact O-N 3.42Å; S190-N192 PolarHBondContact O-N 3.49Å; S190-N192 PolarHBondContact OG-N 3.26Å; S190-N192 VanDerWaalsContact OG-N 3.1Å; S190-N192 PolarHBondContact OG-O 3.49Å; S190-R195 VanDerWaalsContact CB-CZ 3.47Å; S190-R195 VanDerWaalsContact CB-NH1 3.26Å; S190-R195 WeakPolarHBondContact OG-CB 3.48Å
191G90.9Very high95.7Very high12 Ų1225.6 Ų25.612%0.12412%0.118CC..  trans69.6-12.6-165.200000114.4R193G191-R193 PolarHBondContact O-N 3.48Å
192N91.3Very high95.8Very high23 Ų2326 Ų2612%0.12312%0.119CC..  trans-80.1116.5177.2179.7-72.9000110.4S190 Q194 R195 M196S190-N192 PolarHBondContact O-N 3.49Å; S190-N192 PolarHBondContact OG-N 3.26Å; S190-N192 VanDerWaalsContact OG-N 3.1Å; S190-N192 PolarHBondContact OG-O 3.49Å; N192-Q194 VanDerWaalsContact C-N 3.27Å; N192-Q194 PolarHBondContact O-N 2.77Å; N192-Q194 VanDerWaalsContact O-N 3.17Å; N192-Q194 WeakPolarHBondContact OD1-CB 3.43Å; N192-Q194 PolarHBondContact OD1-N 3.35Å; N192-R195 HydrophobicContact CB-CB 4.16Å; N192-R195 HydrophobicContact CB-CG 4.17Å; N192-R195 PolarHBondContact O-N 2.82Å; N192-R195 VanDerWaalsContact O-N 3.14Å; N192-R195 PolarHBondContact OD1-N 3.24Å; N192-M196 WeakPolarHBondContact O-CG 3.33Å; N192-M196 PolarHBondContact O-N 3.33Å
193R91.8Very high95.8Very high146 Ų14623.2 Ų23.255%0.55110%0.104SC*.Hα-helixtrans-54.4-36.9-177.2-71.9176.4165.6-88.3-3.7114.1G191 H197 N270 L273G191-R193 PolarHBondContact O-N 3.48Å; R193-H197 WeakPolarHBondContact O-CB 3.46Å; R193-H197 PolarHBondContact O-N 3.03Å; R193-N270 VanDerWaalsContact CZ-OD1 3.3Å; R193-N270 PolarHBondContact NH1-OD1 2.89Å; R193-N270 PolarHBondContact NH2-OD1 2.9Å; R193-L273 HydrophobicContact CG-CD1 4.13Å
194Q93.4Very high95.7Very high105 Ų10523.3 Ų23.349%0.49111%0.105SC..Hα-helixtrans-72.4-42.4-179.8-63.6179.2-22.500111.8N192 H197 F198 F299N192-Q194 VanDerWaalsContact C-N 3.27Å; N192-Q194 PolarHBondContact O-N 2.77Å; N192-Q194 VanDerWaalsContact O-N 3.17Å; N192-Q194 WeakPolarHBondContact OD1-CB 3.43Å; N192-Q194 PolarHBondContact OD1-N 3.35Å; Q194-H197 PolarHBondContact O-N 3.29Å; Q194-F198 WeakPolarHBondContact O-CB 3.2Å; Q194-F198 PolarHBondContact O-N 3.29Å; Q194-F299 HydrophobicContact CB-CE2 4Å; Q194-F299 HydrophobicContact CB-CZ 3.76Å
195R94.3Very high95.5Very high5 Ų527 Ų272%0.01912%0.122CC..Hα-helixtrans-64-45.6174.1-70.5179.270.5-167-2.5111.1L186 D187 S190 N192 H197 F198 A199 S292 F293 F299L186-R195 VanDerWaalsContact C-NH2 3.3Å; L186-R195 PolarHBondContact O-NH2 2.93Å; D187-R195 HydrophobicContact CB-CB 4.03Å; D187-R195 CarbonylContact O-C 3.49Å; D187-R195 IonicContact OD1-CZ 3.36Å; D187-R195 IonicContact OD1-NE 3.11Å; D187-R195 PolarHBondContact OD1-NE 3.33Å; D187-R195 IonicContact OD1-NH2 2.69Å; D187-R195 PolarHBondContact OD1-NH2 2.73Å; S190-R195 VanDerWaalsContact CB-CZ 3.47Å; S190-R195 VanDerWaalsContact CB-NH1 3.26Å; S190-R195 WeakPolarHBondContact OG-CB 3.48Å; N192-R195 HydrophobicContact CB-CB 4.16Å; N192-R195 HydrophobicContact CB-CG 4.17Å; N192-R195 PolarHBondContact O-N 2.82Å; N192-R195 VanDerWaalsContact O-N 3.14Å; N192-R195 PolarHBondContact OD1-N 3.24Å; R195-H197 VanDerWaalsContact C-N 3.35Å; R195-H197 PolarHBondContact O-N 3.39Å; R195-F198 WeakPolarHBondContact O-CB 3.12Å; R195-F198 PolarHBondContact O-N 3.1Å; R195-F198 VanDerWaalsContact O-N 3.16Å; R195-A199 WeakPolarHBondContact O-CB 3.47Å; R195-A199 PolarHBondContact O-N 2.82Å; R195-S292 PolarHBondContact NH1-O 2.68Å; R195-S292 PolarHBondContact NH2-O 2.99Å; R195-S292 VanDerWaalsContact NH2-O 3.16Å; R195-F293 VanDerWaalsContact NH1-CE1 3.27Å; R195-F299 HydrophobicContact CG-CD1 3.69Å; R195-F299 HydrophobicContact CG-CD2 4.39Å; R195-F299 HydrophobicContact CG-CE1 3.59Å; R195-F299 HydrophobicContact CG-CE2 4.29Å; R195-F299 HydrophobicContact CG-CG 4.09Å; R195-F299 HydrophobicContact CG-CZ 3.91Å
196M95.9Very high95.3Very high3 Ų327.9 Ų27.92%0.01513%0.126CC..Hα-helixtrans-60.7-44.5175.9-69.1-175.672.900111.5D187 L188 N192 F198 A199 I200 L272 L273 L317D187-M196 PolarHBondContact O-N 3.24Å; L188-M196 HydrophobicContact CD1-CE 4.26Å; L188-M196 WeakPolarHBondContact O-CG 3.33Å; N192-M196 WeakPolarHBondContact O-CG 3.33Å; N192-M196 PolarHBondContact O-N 3.33Å; M196-F198 VanDerWaalsContact C-N 3.3Å; M196-F198 PolarHBondContact O-N 3.32Å; M196-A199 PolarHBondContact O-N 3.36Å; M196-I200 VanDerWaalsContact O-CG1 3.26Å; M196-I200 WeakPolarHBondContact O-CG1 3.36Å; M196-I200 PolarHBondContact O-N 3.44Å; M196-L272 HydrophobicContact CE-CB 4.15Å; M196-L272 HydrophobicContact CE-CD1 4.5Å; M196-L273 HydrophobicContact CE-CD1 4.49Å; M196-L273 HydrophobicContact CE-CD2 4.09Å; M196-L273 HydrophobicContact CE-CG 3.98Å; M196-L273 HydrophobicContact SD-CD1 3.92Å; M196-L273 HydrophobicContact SD-CD2 3.7Å; M196-L273 HydrophobicContact SD-CG 3.88Å; M196-L317 HydrophobicContact CE-CD1 3.68Å
197H96.3Very high95.2Very high44 Ų4427.7 Ų27.720%0.20413%0.125CC..Hα-helixtrans-58.9-43.1174.9-173.6-39.8000111.5R193 Q194 R195 R201 I265R193-H197 WeakPolarHBondContact O-CB 3.46Å; R193-H197 PolarHBondContact O-N 3.03Å; Q194-H197 PolarHBondContact O-N 3.29Å; R195-H197 VanDerWaalsContact C-N 3.35Å; R195-H197 PolarHBondContact O-N 3.39Å; H197-R201 PolarHBondContact CE1-NH2 2.97Å; H197-R201 PolarHBondContact ND1-NH1 2.78Å; H197-R201 WeakPolarHBondContact O-CB 3.46Å; H197-R201 PolarHBondContact O-N 3.25Å; H197-I265 HydrophobicContact CB-CG2 4.04Å; H197-I265 WeakPolarHBondContact ND1-CG2 3.41Å
198F96.6Very high95Very high36 Ų3627.7 Ų27.716%0.15813%0.125CC..Hα-helixtrans-62.3-44.5175.7-175.3-90.2000111.5Q194 R195 M196 R201 H202 L298 F299Q194-F198 WeakPolarHBondContact O-CB 3.2Å; Q194-F198 PolarHBondContact O-N 3.29Å; R195-F198 WeakPolarHBondContact O-CB 3.12Å; R195-F198 PolarHBondContact O-N 3.1Å; R195-F198 VanDerWaalsContact O-N 3.16Å; M196-F198 VanDerWaalsContact C-N 3.3Å; M196-F198 PolarHBondContact O-N 3.32Å; F198-R201 PolarHBondContact O-N 2.84Å; F198-H202 AromaticContact CD1-CE1 3.84Å; F198-H202 AromaticContact CD1-ND1 3.6Å; F198-H202 AromaticContact CD2-CE1 3.61Å; F198-H202 AromaticContact CE1-CE1 3.46Å; F198-H202 VanDerWaalsContact CE1-CE1 3.46Å; F198-H202 WeakPolarHBondContact CE1-CE1 3.15Å; F198-H202 AromaticContact CE1-ND1 3.49Å; F198-H202 WeakPolarHBondContact CE1-ND1 3.45Å; F198-H202 AromaticContact CE2-CE1 3.25Å; F198-H202 WeakPolarHBondContact CE2-CE1 3.48Å; F198-H202 AromaticContact CG-CE1 3.9Å; F198-H202 AromaticContact CG-ND1 3.88Å; F198-H202 AromaticContact CZ-CE1 3.14Å; F198-H202 WeakPolarHBondContact CZ-CE1 3.34Å; F198-H202 AromaticContact CZ-ND1 3.7Å; F198-H202 AromaticContact CZ-NE2 3.93Å; F198-H202 PolarHBondContact O-N 2.81Å; F198-H202 PolarHBondContact O-ND1 3.11Å; F198-L298 HydrophobicContact CZ-CB 4.11Å; F198-F299 HydrophobicContact CB-CD2 3.66Å; F198-F299 HydrophobicContact CB-CE2 4.2Å; F198-F299 HydrophobicContact CD1-CB 4.11Å; F198-F299 HydrophobicContact CD1-CD2 4.31Å; F198-F299 AromaticContact CD2-CD2 3.97Å; F198-F299 HydrophobicContact CD2-CD2 3.97Å; F198-F299 HydrophobicContact CE1-CB 4.26Å; F198-F299 HydrophobicContact CG-CB 4.35Å; F198-F299 AromaticContact CG-CD2 3.75Å; F198-F299 HydrophobicContact CG-CD2 3.75Å
199A97.9Very high94.7Very high0 Ų030.7 Ų30.70%014%0.141CC..Hα-helixtrans-62.4-48.1178.500000112.2Y183 D187 L188 R195 M196 R201 H202 L203Y183-A199 HydrophobicContact CD2-CB 3.93Å; Y183-A199 WeakPolarHBondContact CD2-O 3.39Å; Y183-A199 HydrophobicContact CE2-CB 3.96Å; D187-A199 HydrophobicContact CB-CB 3.89Å; L188-A199 HydrophobicContact CB-CB 4.09Å; R195-A199 WeakPolarHBondContact O-CB 3.47Å; R195-A199 PolarHBondContact O-N 2.82Å; M196-A199 PolarHBondContact O-N 3.36Å; A199-R201 PolarHBondContact O-N 3.35Å; A199-H202 PolarHBondContact O-N 2.85Å; A199-L203 PolarHBondContact O-N 3.16Å
200I98.4Very high94.7Very high1 Ų130.2 Ų30.21%0.00514%0.139CC..Hα-helixtrans-64.3-40.4179.3-62.8166.3000110.6L188 M196 H202 L203 I204 I265 L268 L272L188-I200 HydrophobicContact CD1-CD1 4.46Å; L188-I200 HydrophobicContact CD1-CG1 3.98Å; M196-I200 VanDerWaalsContact O-CG1 3.26Å; M196-I200 WeakPolarHBondContact O-CG1 3.36Å; M196-I200 PolarHBondContact O-N 3.44Å; I200-H202 VanDerWaalsContact C-N 3.33Å; I200-H202 PolarHBondContact O-N 3.34Å; I200-L203 WeakPolarHBondContact O-CB 3.36Å; I200-L203 PolarHBondContact O-N 3.03Å; I200-I204 HydrophobicContact CG2-CD1 4.14Å; I200-I204 WeakPolarHBondContact O-CG1 3.14Å; I200-I204 PolarHBondContact O-N 2.99Å; I200-I265 HydrophobicContact CB-CG2 3.89Å; I200-I265 HydrophobicContact CD1-CG2 4.26Å; I200-I265 HydrophobicContact CG2-CB 4.29Å; I200-I265 HydrophobicContact CG2-CG1 3.88Å; I200-I265 HydrophobicContact CG2-CG2 3.94Å; I200-L268 HydrophobicContact CD1-CG 4.36Å; I200-L268 HydrophobicContact CG2-CD2 3.72Å; I200-L268 HydrophobicContact CG2-CG 4.49Å; I200-L272 HydrophobicContact CD1-CD1 4.3Å
201R97.6Very high94.9Very high65 Ų6529.7 Ų29.725%0.24514%0.135CC..Hα-helixtrans-55.3-48.9175-179176.9-73.7114.7-6.4111.4H197 F198 A199 L203 I204 E205 N262 I265H197-R201 PolarHBondContact CE1-NH2 2.97Å; H197-R201 PolarHBondContact ND1-NH1 2.78Å; H197-R201 WeakPolarHBondContact O-CB 3.46Å; H197-R201 PolarHBondContact O-N 3.25Å; F198-R201 PolarHBondContact O-N 2.84Å; A199-R201 PolarHBondContact O-N 3.35Å; R201-L203 VanDerWaalsContact C-N 3.33Å; R201-L203 PolarHBondContact O-N 2.94Å; R201-I204 WeakPolarHBondContact O-CB 3.26Å; R201-I204 PolarHBondContact O-N 3.46Å; R201-E205 WeakPolarHBondContact CD-OE1 3.46Å; R201-E205 HydrophobicContact CG-CG 4.41Å; R201-E205 VanDerWaalsContact CG-OE1 3.28Å; R201-E205 WeakPolarHBondContact CG-OE1 3.46Å; R201-E205 WeakPolarHBondContact O-CG 3.25Å; R201-E205 PolarHBondContact O-N 3.41Å; R201-N262 PolarHBondContact NH2-OD1 3.37Å; R201-I265 HydrophobicContact CB-CD1 3.86Å; R201-I265 HydrophobicContact CG-CD1 4.39Å
202H96.7Very high95.1Very high17 Ų1732.4 Ų32.48%0.07914%0.144CC..Hα-helixtrans-75-21.2-178.5-65.396.7000113.8L182 F198 A199 I200 I204 E205 E206L182-H202 HydrophobicContact CB-CB 4.12Å; L182-H202 WeakPolarHBondContact CB-CD2 3.3Å; F198-H202 AromaticContact CD1-CE1 3.84Å; F198-H202 AromaticContact CD1-ND1 3.6Å; F198-H202 AromaticContact CD2-CE1 3.61Å; F198-H202 AromaticContact CE1-CE1 3.46Å; F198-H202 VanDerWaalsContact CE1-CE1 3.46Å; F198-H202 WeakPolarHBondContact CE1-CE1 3.15Å; F198-H202 AromaticContact CE1-ND1 3.49Å; F198-H202 WeakPolarHBondContact CE1-ND1 3.45Å; F198-H202 AromaticContact CE2-CE1 3.25Å; F198-H202 WeakPolarHBondContact CE2-CE1 3.48Å; F198-H202 AromaticContact CG-CE1 3.9Å; F198-H202 AromaticContact CG-ND1 3.88Å; F198-H202 AromaticContact CZ-CE1 3.14Å; F198-H202 WeakPolarHBondContact CZ-CE1 3.34Å; F198-H202 AromaticContact CZ-ND1 3.7Å; F198-H202 AromaticContact CZ-NE2 3.93Å; F198-H202 PolarHBondContact O-N 2.81Å; F198-H202 PolarHBondContact O-ND1 3.11Å; A199-H202 PolarHBondContact O-N 2.85Å; I200-H202 VanDerWaalsContact C-N 3.33Å; I200-H202 PolarHBondContact O-N 3.34Å; H202-I204 VanDerWaalsContact C-N 3.33Å; H202-E205 IonicContact CD2-OE2 3.21Å; H202-E205 PolarHBondContact CD2-OE2 3.14Å; H202-E205 IonicContact NE2-OE2 2.74Å; H202-E206 PolarHBondContact O-N 3.36Å
203L96.9Very high95.4Very high1 Ų131.3 Ų31.31%0.00514%0.138CC..Hα-helixtrans-66.4-35164.3-78.8171000111.8I140 Y183 A199 I200 R201 P207 N210 L211I140-L203 HydrophobicContact CG2-CD1 4Å; Y183-L203 HydrophobicContact CD1-CD2 3.75Å; Y183-L203 HydrophobicContact CD1-CG 4.3Å; Y183-L203 HydrophobicContact CD2-CD1 3.83Å; Y183-L203 HydrophobicContact CD2-CD2 3.86Å; Y183-L203 HydrophobicContact CD2-CG 3.45Å; Y183-L203 VanDerWaalsContact CD2-CG 3.45Å; Y183-L203 HydrophobicContact CE1-CD2 4.02Å; Y183-L203 HydrophobicContact CE2-CD1 3.57Å; Y183-L203 HydrophobicContact CE2-CD2 4.1Å; Y183-L203 HydrophobicContact CE2-CG 3.74Å; Y183-L203 HydrophobicContact CG-CD1 4.49Å; Y183-L203 HydrophobicContact CG-CD2 3.66Å; Y183-L203 HydrophobicContact CG-CG 3.74Å; A199-L203 PolarHBondContact O-N 3.16Å; I200-L203 WeakPolarHBondContact O-CB 3.36Å; I200-L203 PolarHBondContact O-N 3.03Å; R201-L203 VanDerWaalsContact C-N 3.33Å; R201-L203 PolarHBondContact O-N 2.94Å; L203-P207 WeakPolarHBondContact O-CA 3.39Å; L203-P207 WeakPolarHBondContact O-CG 3.31Å; L203-N210 HydrophobicContact CD2-CB 3.62Å; L203-L211 HydrophobicContact CB-CB 4.4Å; L203-L211 HydrophobicContact CB-CD2 4.41Å; L203-L211 WeakPolarHBondContact O-CD2 3.49Å
204I96.3Very high95.5Very high1 Ų124.9 Ų24.91%0.00511%0.114CC..Hα-helixtrans-74.5-44.8176.9-64.8165000110.3I200 R201 H202 P207 L211 Y221 T233 L236 L261 F264 I265I200-I204 HydrophobicContact CG2-CD1 4.14Å; I200-I204 WeakPolarHBondContact O-CG1 3.14Å; I200-I204 PolarHBondContact O-N 2.99Å; R201-I204 WeakPolarHBondContact O-CB 3.26Å; R201-I204 PolarHBondContact O-N 3.46Å; H202-I204 VanDerWaalsContact C-N 3.33Å; I204-P207 WeakPolarHBondContact O-CD 3.28Å; I204-P207 WeakPolarHBondContact O-CG 3.46Å; I204-L211 HydrophobicContact CB-CD2 4.29Å; I204-L211 HydrophobicContact CG1-CD2 3.7Å; I204-Y221 HydrophobicContact CG2-CE1 4.38Å; I204-Y221 PolarHBondContact O-OH 2.93Å; I204-T233 HydrophobicContact CG2-CG2 4.19Å; I204-L236 HydrophobicContact CG2-CD2 3.95Å; I204-L261 HydrophobicContact CD1-CD1 3.64Å; I204-L261 HydrophobicContact CG2-CD1 4.1Å; I204-F264 HydrophobicContact CD1-CD1 3.81Å; I204-F264 HydrophobicContact CD1-CE1 3.77Å; I204-F264 HydrophobicContact CG1-CE1 4.48Å; I204-I265 HydrophobicContact CD1-CD1 4.21Å; I204-I265 HydrophobicContact CD1-CG1 3.76Å
205E93.6Very high95.5Very high78 Ų7822.2 Ų22.236%0.36410%0.101SC..Hα-helixtrans-66.8-38.5-178.3-70.5171.6-175.900113.2R179 R201 H202R179-E205 PolarHBondContact NH2-O 3.29Å; R201-E205 WeakPolarHBondContact CD-OE1 3.46Å; R201-E205 HydrophobicContact CG-CG 4.41Å; R201-E205 VanDerWaalsContact CG-OE1 3.28Å; R201-E205 WeakPolarHBondContact CG-OE1 3.46Å; R201-E205 WeakPolarHBondContact O-CG 3.25Å; R201-E205 PolarHBondContact O-N 3.41Å; H202-E205 IonicContact CD2-OE2 3.21Å; H202-E205 PolarHBondContact CD2-OE2 3.14Å; H202-E205 IonicContact NE2-OE2 2.74Å
206E94.3Very high95.1Very high19 Ų1923.6 Ų23.69%0.08912%0.116CC..SBendtrans-133.578.8176.3-173.653.7-160.500110.8R179 S181 H202 Q208R179-E206 HydrophobicContact CG-CG 4.32Å; R179-E206 IonicContact CZ-OE2 2.79Å; R179-E206 IonicContact NE-OE2 2.85Å; R179-E206 PolarHBondContact NE-OE2 3.49Å; R179-E206 IonicContact NH2-OE2 3.34Å; R179-E206 PolarHBondContact NH2-OE2 3.17Å; S181-E206 PolarHBondContact OG-O 2.92Å; H202-E206 PolarHBondContact O-N 3.36Å; E206-Q208 HydrophobicContact CG-CG 4.01Å; E206-Q208 PolarHBondContact O-N 3.36Å; E206-Q208 WeakPolarHBondContact OE1-CG 3.49Å; E206-Q208 PolarHBondContact OE1-NE2 3.41Å
207P93.4Very high94.6Very high0 Ų023.9 Ų23.90%012%0.12CC..  trans-63.6-40.4-173.7-25.336.6000114L203 I204 N209 N210 L211 Y221 P231L203-P207 WeakPolarHBondContact O-CA 3.39Å; L203-P207 WeakPolarHBondContact O-CG 3.31Å; I204-P207 WeakPolarHBondContact O-CD 3.28Å; I204-P207 WeakPolarHBondContact O-CG 3.46Å; P207-N209 PolarHBondContact O-N 3.3Å; P207-N210 WeakPolarHBondContact O-CA 3.48Å; P207-N210 VanDerWaalsContact O-CB 3.27Å; P207-N210 WeakPolarHBondContact O-CB 3.41Å; P207-N210 PolarHBondContact O-N 3.3Å; P207-L211 HydrophobicContact CB-CB 4.04Å; P207-L211 PolarHBondContact O-N 2.85Å; P207-Y221 HydrophobicContact CB-CE1 4.36Å; P207-Y221 HydrophobicContact CG-CD1 4.24Å; P207-Y221 HydrophobicContact CG-CE1 3.37Å; P207-P231 HydrophobicContact CG-CG 3.72Å
208Q92.8Very high94.3Very high2 Ų228.2 Ų28.21%0.00914%0.14CC..THydrogen-bonded Turntrans46.9-133.8-171.1-64.8-176-200110.1W177 R179 E206 N210 S223W177-Q208 VanDerWaalsContact CD1-CD 3.41Å; W177-Q208 HydrophobicContact CD2-CB 4.03Å; W177-Q208 HydrophobicContact CD2-CG 3.67Å; W177-Q208 HydrophobicContact CE3-CB 4.36Å; W177-Q208 HydrophobicContact CE3-CG 4.01Å; W177-Q208 HydrophobicContact CG-CG 3.98Å; W177-Q208 HydrophobicContact CH2-CB 3.95Å; W177-Q208 HydrophobicContact CH2-CG 4.48Å; W177-Q208 HydrophobicContact CZ2-CB 3.54Å; W177-Q208 HydrophobicContact CZ2-CG 4.16Å; W177-Q208 HydrophobicContact CZ3-CB 4.33Å; W177-Q208 HydrophobicContact CZ3-CG 4.4Å; R179-Q208 PolarHBondContact O-NE2 3.37Å; E206-Q208 HydrophobicContact CG-CG 4.01Å; E206-Q208 PolarHBondContact O-N 3.36Å; E206-Q208 WeakPolarHBondContact OE1-CG 3.49Å; E206-Q208 PolarHBondContact OE1-NE2 3.41Å; Q208-N210 VanDerWaalsContact C-N 3.31Å; Q208-S223 PolarHBondContact N-OG 3.42Å; Q208-S223 WeakPolarHBondContact O-CB 3.48Å
209N91.6Very high94.1Very high63 Ų6329.5 Ų29.534%0.33715%0.153SC..THydrogen-bonded Turntrans-95.123170.272.5-34.7000112.9K141 W177 P207K141-N209 WeakPolarHBondContact CD-O 3.47Å; W177-N209 HydrophobicContact CZ2-CB 4.16Å; P207-N209 PolarHBondContact O-N 3.3Å
210N96.3Very high93.9Very high1 Ų131.1 Ų31.11%0.00516%0.161CC..THydrogen-bonded Turntrans-106.5-17.9-174.9-72.7101.5000114.5I140 K141 K143 Y164 L203 P207 Q208I140-N210 CarbonylContact C-O 3.56Å; I140-N210 WeakPolarHBondContact CA-O 3.46Å; K141-N210 PolarHBondContact N-O 3.01Å; K141-N210 PolarHBondContact O-ND2 3.36Å; K143-N210 WeakPolarHBondContact CE-ND2 3.48Å; K143-N210 WeakPolarHBondContact CG-ND2 3.46Å; Y164-N210 WeakPolarHBondContact CE2-OD1 3.46Å; Y164-N210 PolarHBondContact OH-OD1 3.19Å; L203-N210 HydrophobicContact CD2-CB 3.62Å; P207-N210 WeakPolarHBondContact O-CA 3.48Å; P207-N210 VanDerWaalsContact O-CB 3.27Å; P207-N210 WeakPolarHBondContact O-CB 3.41Å; P207-N210 PolarHBondContact O-N 3.3Å; Q208-N210 VanDerWaalsContact C-N 3.31Å
211L96.8Very high93.7Very high2 Ų231.5 Ų31.51%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-140.1134.1177.3-178.379.3000110.8I138 E139 I140 L203 I204 P207 Y221I138-L211 HydrophobicContact CG2-CD1 3.55Å; E139-L211 CarbonylContact O-C 3.48Å; E139-L211 VanDerWaalsContact O-CA 3.3Å; E139-L211 WeakPolarHBondContact O-CA 3.41Å; I140-L211 HydrophobicContact CG1-CD1 3.83Å; L203-L211 HydrophobicContact CB-CB 4.4Å; L203-L211 HydrophobicContact CB-CD2 4.41Å; L203-L211 WeakPolarHBondContact O-CD2 3.49Å; I204-L211 HydrophobicContact CB-CD2 4.29Å; I204-L211 HydrophobicContact CG1-CD2 3.7Å; P207-L211 HydrophobicContact CB-CB 4.04Å; P207-L211 PolarHBondContact O-N 2.85Å; L211-Y221 HydrophobicContact CD2-CD1 4.4Å; L211-Y221 HydrophobicContact CD2-CE1 4.27Å
212K95.9Very high93.4Very high69 Ų6930.6 Ų30.630%0.317%0.166SC..EExtended strand (participates in β ladder)trans-133.5149.8162.3-53-173.8-156.4130.60110.8I138 E139 F214 Y221I138-K212 WeakPolarHBondContact CA-O 3.3Å; E139-K212 HydrophobicContact CB-CB 4.25Å; E139-K212 PolarHBondContact N-O 3.37Å; E139-K212 PolarHBondContact O-N 3.44Å; E139-K212 IonicContact OE1-NZ 2.8Å; E139-K212 PolarHBondContact OE1-NZ 2.9Å; E139-K212 IonicContact OE2-NZ 3.12Å; E139-K212 PolarHBondContact OE2-NZ 3.19Å; K212-F214 HydrophobicContact CB-CD2 4.48Å; K212-F214 HydrophobicContact CB-CE2 3.73Å; K212-F214 HydrophobicContact CB-CZ 4.17Å; K212-F214 HydrophobicContact CD-CE2 4.3Å; K212-F214 HydrophobicContact CD-CZ 3.97Å; K212-Y221 CarbonylContact C-O 3.55Å; K212-Y221 VanDerWaalsContact CA-O 3.22Å; K212-Y221 WeakPolarHBondContact CA-O 3.42Å
213V96.6Very high92.8Very high0 Ų030.9 Ų30.90%017%0.17CC..EExtended strand (participates in β ladder)trans-123.2132.4174.1-171.60000109.4C137 I138 I220 Y221 L236C137-V213 CarbonylContact O-C 3.48Å; C137-V213 WeakPolarHBondContact O-CA 3.46Å; I138-V213 HydrophobicContact CG1-CG1 4.48Å; V213-I220 HydrophobicContact CB-CG1 4.17Å; V213-I220 HydrophobicContact CG1-CD1 4Å; V213-I220 HydrophobicContact CG1-CG1 4.04Å; V213-I220 VanDerWaalsContact O-CG1 3.32Å; V213-I220 WeakPolarHBondContact O-CG1 3.41Å; V213-I220 PolarHBondContact O-N 3.41Å; V213-Y221 HydrophobicContact CG2-CD1 4.22Å; V213-Y221 PolarHBondContact N-O 3.45Å; V213-Y221 PolarHBondContact O-N 3.15Å; V213-L236 HydrophobicContact CB-CD1 4.22Å; V213-L236 HydrophobicContact CG1-CD1 4.18Å; V213-L236 HydrophobicContact CG2-CD1 4.17Å
214F94.9Very high91.8Very high11 Ų1137.3 Ų37.35%0.04820%0.198CC..EExtended strand (participates in β ladder)trans-118.5145.3177.6-55.6-101000110.2T123 L136 C137 E139 K212 Q218 C219 M402T123-F214 HydrophobicContact CG2-CD1 3.9Å; T123-F214 HydrophobicContact CG2-CD2 4.08Å; T123-F214 HydrophobicContact CG2-CE1 4.01Å; T123-F214 HydrophobicContact CG2-CE2 4.2Å; T123-F214 HydrophobicContact CG2-CG 3.94Å; T123-F214 HydrophobicContact CG2-CZ 4.16Å; L136-F214 WeakPolarHBondContact CA-O 3.34Å; C137-F214 HydrophobicContact CB-CB 4.17Å; C137-F214 PolarHBondContact N-O 3.04Å; C137-F214 PolarHBondContact O-N 2.81Å; E139-F214 HydrophobicContact CB-CE2 4.11Å; K212-F214 HydrophobicContact CB-CD2 4.48Å; K212-F214 HydrophobicContact CB-CE2 3.73Å; K212-F214 HydrophobicContact CB-CZ 4.17Å; K212-F214 HydrophobicContact CD-CE2 4.3Å; K212-F214 HydrophobicContact CD-CZ 3.97Å; F214-Q218 CarbonylContact C-O 3.46Å; F214-Q218 WeakPolarHBondContact CA-O 3.33Å; F214-C219 HydrophobicContact CD1-CB 3.81Å; F214-C219 HydrophobicContact CE1-CB 3.71Å; F214-M402 HydrophobicContact CE2-CE 4.43Å
215K92.3Very high90.5Very high49 Ų4940.5 Ų40.521%0.21321%0.213CC..EExtended strand (participates in β ladder)trans-130.4118.2173.2178.7175.2177.6173.30108.3P134 L136 G217 Q218 I220 Y243P134-K215 HydrophobicContact CG-CD 4.43Å; P134-K215 HydrophobicContact CG-CG 3.89Å; L136-K215 HydrophobicContact CD2-CB 4.08Å; L136-K215 HydrophobicContact CD2-CG 4.24Å; K215-G217 VanDerWaalsContact C-N 3.29Å; K215-G217 PolarHBondContact O-N 3.08Å; K215-Q218 PolarHBondContact N-O 3.34Å; K215-Q218 PolarHBondContact O-N 3.38Å; K215-Q218 VanDerWaalsContact O-N 3.09Å; K215-I220 HydrophobicContact CB-CD1 3.92Å; K215-I220 HydrophobicContact CB-CG1 4.32Å; K215-I220 HydrophobicContact CB-CG2 3.96Å; K215-Y243 HydrophobicContact CD-CE2 4.35Å; K215-Y243 VanDerWaalsContact CE-OH 3.24Å; K215-Y243 WeakPolarHBondContact CE-OH 3.1Å
216G85.9Confident88.9Confident33 Ų3340 Ų4034%0.3423%0.228SC..THydrogen-bonded Turntrans54.642.1-177.200000113.5P135 Q218P135-G216 PolarHBondContact O-N 3.38Å; G216-Q218 VanDerWaalsContact C-N 3.25Å; G216-Q218 PolarHBondContact O-N 3.03Å
217G86.6Confident87.5Confident9 Ų941 Ų419%0.09324%0.237CC..THydrogen-bonded Turntrans76.9-3.4-178.400000116.3T123 K215T123-G217 WeakPolarHBondContact O-CA 3.48Å; T123-G217 PolarHBondContact O-N 2.96Å; K215-G217 VanDerWaalsContact C-N 3.29Å; K215-G217 PolarHBondContact O-N 3.08Å
218Q88.9Confident85.9Confident136 Ų13647.1 Ų47.164%0.63627%0.27SS*.EExtended strand (participates in β ladder)trans-100132.8177.1-61.4-174.34.100111F214 K215 G216 I220F214-Q218 CarbonylContact C-O 3.46Å; F214-Q218 WeakPolarHBondContact CA-O 3.33Å; K215-Q218 PolarHBondContact N-O 3.34Å; K215-Q218 PolarHBondContact O-N 3.38Å; K215-Q218 VanDerWaalsContact O-N 3.09Å; G216-Q218 VanDerWaalsContact C-N 3.25Å; G216-Q218 PolarHBondContact O-N 3.03Å; Q218-I220 PolarHBondContact O-N 3.43Å
219C91.9Very high84.6Confident63 Ų6354.9 Ų54.943%0.42631%0.307SS..EExtended strand (participates in β ladder)trans-71.3114.7175.2-1730000109.7F214F214-C219 HydrophobicContact CD1-CB 3.81Å; F214-C219 HydrophobicContact CE1-CB 3.71Å
220I93.8Very high83.4Confident34 Ų3455.6 Ų55.617%0.17432%0.316CS..EExtended strand (participates in β ladder)trans-103-13.9179.458.7162.9000112.6V213 K215 Q218 L236 H239V213-I220 HydrophobicContact CB-CG1 4.17Å; V213-I220 HydrophobicContact CG1-CD1 4Å; V213-I220 HydrophobicContact CG1-CG1 4.04Å; V213-I220 VanDerWaalsContact O-CG1 3.32Å; V213-I220 WeakPolarHBondContact O-CG1 3.41Å; V213-I220 PolarHBondContact O-N 3.41Å; K215-I220 HydrophobicContact CB-CD1 3.92Å; K215-I220 HydrophobicContact CB-CG1 4.32Å; K215-I220 HydrophobicContact CB-CG2 3.96Å; Q218-I220 PolarHBondContact O-N 3.43Å; I220-L236 HydrophobicContact CD1-CD1 4.26Å; I220-H239 HydrophobicContact CD1-CB 3.7Å
221Y94.4Very high82.5Confident8 Ų856.5 Ų56.53%0.03132%0.323CS..EExtended strand (participates in β ladder)trans-151.9121.5-179.3-165.5-110.8000111.7I204 P207 L211 K212 V213 P231 T233 L236I204-Y221 HydrophobicContact CG2-CE1 4.38Å; I204-Y221 PolarHBondContact O-OH 2.93Å; P207-Y221 HydrophobicContact CB-CE1 4.36Å; P207-Y221 HydrophobicContact CG-CD1 4.24Å; P207-Y221 HydrophobicContact CG-CE1 3.37Å; L211-Y221 HydrophobicContact CD2-CD1 4.4Å; L211-Y221 HydrophobicContact CD2-CE1 4.27Å; K212-Y221 CarbonylContact C-O 3.55Å; K212-Y221 VanDerWaalsContact CA-O 3.22Å; K212-Y221 WeakPolarHBondContact CA-O 3.42Å; V213-Y221 HydrophobicContact CG2-CD1 4.22Å; V213-Y221 PolarHBondContact N-O 3.45Å; V213-Y221 PolarHBondContact O-N 3.15Å; Y221-P231 HydrophobicContact CD2-CB 4.25Å; Y221-P231 HydrophobicContact CE2-CB 3.62Å; Y221-P231 HydrophobicContact CE2-CG 4.35Å; Y221-T233 PolarHBondContact OH-OG1 3.13Å; Y221-L236 HydrophobicContact CD1-CD2 3.8Å; Y221-L236 HydrophobicContact CD2-CB 3.66Å; Y221-L236 HydrophobicContact CD2-CD2 4.04Å; Y221-L236 HydrophobicContact CD2-CG 4.29Å; Y221-L236 HydrophobicContact CE1-CD2 3.86Å; Y221-L236 HydrophobicContact CE2-CB 3.94Å; Y221-L236 HydrophobicContact CE2-CD2 4.11Å; Y221-L236 HydrophobicContact CG-CB 4.16Å; Y221-L236 HydrophobicContact CG-CD1 4.26Å; Y221-L236 HydrophobicContact CG-CD2 3.88Å; Y221-L236 HydrophobicContact CG-CG 4.31Å
222S90.9Very high81.9Confident46 Ų4660.5 Ų60.532%0.32234%0.344SS..  trans-165.3159172.561.40000110
223S85.4Confident81.6Confident23 Ų2359 Ų5916%0.16134%0.341CS..PPolyproline II helixtrans-88.4143.6167.2-57.30000110.8Q208Q208-S223 PolarHBondContact N-OG 3.42Å; Q208-S223 WeakPolarHBondContact O-CB 3.48Å
224K74.6Confident81.2Confident136 Ų13664.3 Ų64.359%0.59137%0.369SS*.PPolyproline II helixtrans-95.1131.2168.1-63.8173.2-177.3173.80108.6G226 S227K224-G226 PolarHBondContact O-N 3Å; K224-S227 WeakPolarHBondContact CB-OG 3.23Å; K224-S227 PolarHBondContact O-N 2.56Å; K224-S227 PolarHBondContact O-OG 3.24Å; K224-S227 VanDerWaalsContact O-OG 3.11Å
225E69.1Low81.1Confident68 Ų6866 Ų6632%0.31838%0.382SS..THydrogen-bonded Turntrans-67.3128.2176.5-170.1168.8172.300108.9K176 W177 S227K176-E225 WeakPolarHBondContact CE-OE1 3.31Å; K176-E225 WeakPolarHBondContact CG-OE1 3.48Å; K176-E225 VanDerWaalsContact NZ-CD 3.35Å; K176-E225 IonicContact NZ-OE1 2.75Å; K176-E225 PolarHBondContact NZ-OE1 2.83Å; K176-E225 IonicContact NZ-OE2 3.2Å; K176-E225 PolarHBondContact NZ-OE2 3.09Å; W177-E225 HydrophobicContact CH2-CB 4.19Å; W177-E225 HydrophobicContact CH2-CG 4.5Å; E225-S227 VanDerWaalsContact C-N 3.28Å; E225-S227 PolarHBondContact O-N 3.09Å
226G60.3Low81.1Confident67 Ų6763.7 Ų63.769%0.69137%0.372SS*.THydrogen-bonded Turntrans75.92.8-178.700000116K224K224-G226 PolarHBondContact O-N 3Å
227S65.2Low81.4Confident40 Ų4062.6 Ų62.628%0.2836%0.359SS..  trans-79146.717368.30000112K224 E225 E229K224-S227 WeakPolarHBondContact CB-OG 3.23Å; K224-S227 PolarHBondContact O-N 2.56Å; K224-S227 PolarHBondContact O-OG 3.24Å; K224-S227 VanDerWaalsContact O-OG 3.11Å; E225-S227 VanDerWaalsContact C-N 3.28Å; E225-S227 PolarHBondContact O-N 3.09Å; S227-E229 VanDerWaalsContact C-N 3.33Å; S227-E229 PolarHBondContact OG-O 2.94Å
228D59.2Low81.6Confident130 Ų13068.2 Ų68.270%0.69538%0.382SS*.SBendtrans-76.7-20.9178.7-80.1-6.4000114.4K178K178-D228 WeakPolarHBondContact CE-OD1 3.38Å; K178-D228 VanDerWaalsContact NZ-CA 3.26Å; K178-D228 IonicContact NZ-OD1 2.61Å; K178-D228 PolarHBondContact NZ-OD1 3.31Å; K178-D228 IonicContact NZ-OD2 3.38Å
229E65.3Low81.8Confident164 Ų16464.5 Ų64.577%0.76636%0.364SS*.SBendtrans-86.9125.2-176.3-62.2179.8162.400111.4S227S227-E229 VanDerWaalsContact C-N 3.33Å; S227-E229 PolarHBondContact OG-O 2.94Å
230S67.4Low81.8Confident78 Ų7861.5 Ų61.555%0.54534%0.344SS..PPolyproline II helixtrans-67142.6164.455.60000109.4D232S230-D232 PolarHBondContact O-N 3.14Å
231P76.9Confident81.6Confident21 Ų2163.5 Ų63.514%0.13635%0.35CS..PPolyproline II helixtrans-60.8132.8178.626.1-32.6000110.3P207 Y221 T233P207-P231 HydrophobicContact CG-CG 3.72Å; Y221-P231 HydrophobicContact CD2-CB 4.25Å; Y221-P231 HydrophobicContact CE2-CB 3.62Å; Y221-P231 HydrophobicContact CE2-CG 4.35Å; P231-T233 PolarHBondContact O-N 3.25Å
232D85.5Confident81.2Confident86 Ų8665.7 Ų65.746%0.4637%0.365SS..  trans-74.898.6-175.3179.812.3000111S230 N234 S235 L236S230-D232 PolarHBondContact O-N 3.14Å; D232-N234 PolarHBondContact O-N 3.37Å; D232-N234 WeakPolarHBondContact OD1-CA 3.27Å; D232-N234 VanDerWaalsContact OD1-CB 3.3Å; D232-N234 WeakPolarHBondContact OD1-CB 3.21Å; D232-N234 PolarHBondContact OD1-N 3.3Å; D232-S235 PolarHBondContact O-N 3.15Å; D232-S235 PolarHBondContact OD1-N 3.49Å; D232-S235 WeakPolarHBondContact OD2-CB 3.3Å; D232-S235 PolarHBondContact OD2-N 3.3Å; D232-L236 PolarHBondContact O-N 3.48Å
233T88.4Confident81Confident38 Ų3863.5 Ų63.523%0.23335%0.35CS..Hα-helixtrans-62.1-28.9176-49.60000111.9I204 Y221 P231 L236 L237I204-T233 HydrophobicContact CG2-CG2 4.19Å; Y221-T233 PolarHBondContact OH-OG1 3.13Å; P231-T233 PolarHBondContact O-N 3.25Å; T233-L236 PolarHBondContact O-N 3.03Å; T233-L237 HydrophobicContact CG2-CD1 4.13Å; T233-L237 HydrophobicContact CG2-CG 4.37Å; T233-L237 WeakPolarHBondContact O-CB 3.35Å; T233-L237 VanDerWaalsContact O-CG 3.22Å; T233-L237 WeakPolarHBondContact O-CG 3.5Å; T233-L237 PolarHBondContact O-N 3.27Å
234N89.3Confident81Confident110 Ų11062.4 Ų62.459%0.58834%0.342SS*.Hα-helixtrans-69.7-41.1177.7-66.2-46.9000111.2D232 L237 H238D232-N234 PolarHBondContact O-N 3.37Å; D232-N234 WeakPolarHBondContact OD1-CA 3.27Å; D232-N234 VanDerWaalsContact OD1-CB 3.3Å; D232-N234 WeakPolarHBondContact OD1-CB 3.21Å; D232-N234 PolarHBondContact OD1-N 3.3Å; N234-L237 PolarHBondContact O-N 3.29Å; N234-H238 PolarHBondContact O-N 3.23Å
235S91.2Very high81Confident46 Ų4659 Ų5932%0.32233%0.33SS..Hα-helixtrans-58-46.8171.41760000111.6D232 L237 H238 H239D232-S235 PolarHBondContact O-N 3.15Å; D232-S235 PolarHBondContact OD1-N 3.49Å; D232-S235 WeakPolarHBondContact OD2-CB 3.3Å; D232-S235 PolarHBondContact OD2-N 3.3Å; S235-L237 PolarHBondContact O-N 3.42Å; S235-H238 WeakPolarHBondContact O-CB 3.42Å; S235-H238 PolarHBondContact O-N 2.73Å; S235-H239 PolarHBondContact O-CD2 3.04Å; S235-H239 PolarHBondContact O-N 3.16Å
236L93.6Very high80.6Confident1 Ų163.9 Ų63.91%0.00535%0.345CS..Hα-helixtrans-56.3-49.1173.6173.162.7000111.5I204 V213 I220 Y221 D232 T233 H238 H239 L240I204-L236 HydrophobicContact CG2-CD2 3.95Å; V213-L236 HydrophobicContact CB-CD1 4.22Å; V213-L236 HydrophobicContact CG1-CD1 4.18Å; V213-L236 HydrophobicContact CG2-CD1 4.17Å; I220-L236 HydrophobicContact CD1-CD1 4.26Å; Y221-L236 HydrophobicContact CD1-CD2 3.8Å; Y221-L236 HydrophobicContact CD2-CB 3.66Å; Y221-L236 HydrophobicContact CD2-CD2 4.04Å; Y221-L236 HydrophobicContact CD2-CG 4.29Å; Y221-L236 HydrophobicContact CE1-CD2 3.86Å; Y221-L236 HydrophobicContact CE2-CB 3.94Å; Y221-L236 HydrophobicContact CE2-CD2 4.11Å; Y221-L236 HydrophobicContact CG-CB 4.16Å; Y221-L236 HydrophobicContact CG-CD1 4.26Å; Y221-L236 HydrophobicContact CG-CD2 3.88Å; Y221-L236 HydrophobicContact CG-CG 4.31Å; D232-L236 PolarHBondContact O-N 3.48Å; T233-L236 PolarHBondContact O-N 3.03Å; L236-H238 VanDerWaalsContact C-N 3.28Å; L236-H238 PolarHBondContact O-N 2.8Å; L236-H239 WeakPolarHBondContact O-CB 3.29Å; L236-H239 PolarHBondContact O-N 3.44Å; L236-L240 HydrophobicContact CD1-CD1 3.94Å; L236-L240 HydrophobicContact CD1-CD2 4.39Å; L236-L240 HydrophobicContact CD1-CG 3.95Å; L236-L240 HydrophobicContact CD2-CD1 4.37Å; L236-L240 HydrophobicContact CG-CD1 3.83Å; L236-L240 HydrophobicContact CG-CG 4.24Å; L236-L240 WeakPolarHBondContact O-CG 3.26Å; L236-L240 PolarHBondContact O-N 2.9Å
237L92.3Very high80.3Confident11 Ų1161.8 Ų61.86%0.05832%0.323CS..Hα-helixtrans-64.6-32.3-178.9-68.6171.4000112.6T233 N234 S235 L240 R241 T257 V260 L261T233-L237 HydrophobicContact CG2-CD1 4.13Å; T233-L237 HydrophobicContact CG2-CG 4.37Å; T233-L237 WeakPolarHBondContact O-CB 3.35Å; T233-L237 VanDerWaalsContact O-CG 3.22Å; T233-L237 WeakPolarHBondContact O-CG 3.5Å; T233-L237 PolarHBondContact O-N 3.27Å; N234-L237 PolarHBondContact O-N 3.29Å; S235-L237 PolarHBondContact O-N 3.42Å; L237-L240 HydrophobicContact CD2-CD1 4.35Å; L237-L240 PolarHBondContact O-N 3.16Å; L237-R241 WeakPolarHBondContact O-CB 3.33Å; L237-R241 PolarHBondContact O-N 3.28Å; L237-T257 HydrophobicContact CD1-CG2 4.27Å; L237-V260 HydrophobicContact CD2-CB 4.35Å; L237-V260 HydrophobicContact CD2-CG1 4.07Å; L237-L261 HydrophobicContact CD2-CB 3.78Å; L237-L261 HydrophobicContact CD2-CD1 4.27Å
238H91.3Very high79.6Confident126 Ų12661 Ų6158%0.58332%0.316SS*.Hα-helixtrans-62.1-44.2170.8179.9-92.1000111.4N234 S235 L236 L240 P242N234-H238 PolarHBondContact O-N 3.23Å; S235-H238 WeakPolarHBondContact O-CB 3.42Å; S235-H238 PolarHBondContact O-N 2.73Å; L236-H238 VanDerWaalsContact C-N 3.28Å; L236-H238 PolarHBondContact O-N 2.8Å; H238-L240 VanDerWaalsContact C-N 3.34Å; H238-L240 PolarHBondContact O-N 2.75Å; H238-P242 WeakPolarHBondContact O-CD 3.29Å
239H92.3Very high79.2Confident58 Ų5861.1 Ų61.127%0.26932%0.317SS..Hα-helixtrans-65.3-34.4174.9-77.6-76.6000113.5I220 S235 L236 Y243I220-H239 HydrophobicContact CD1-CB 3.7Å; S235-H239 PolarHBondContact O-CD2 3.04Å; S235-H239 PolarHBondContact O-N 3.16Å; L236-H239 WeakPolarHBondContact O-CB 3.29Å; L236-H239 PolarHBondContact O-N 3.44Å; H239-Y243 WeakPolarHBondContact O-CD2 3.49Å; H239-Y243 WeakPolarHBondContact O-CE2 2.79Å
240L91.6Very high78.6Confident0 Ų058.2 Ų58.20%030%0.299CS..Hα-helixtrans-78.9-32.9-179.1-67.6177.8000113.2L136 L236 L237 H238 P242 Y243 F244 V260 F264L136-L240 HydrophobicContact CD1-CD2 3.64Å; L136-L240 HydrophobicContact CD2-CD2 4.38Å; L236-L240 HydrophobicContact CD1-CD1 3.94Å; L236-L240 HydrophobicContact CD1-CD2 4.39Å; L236-L240 HydrophobicContact CD1-CG 3.95Å; L236-L240 HydrophobicContact CD2-CD1 4.37Å; L236-L240 HydrophobicContact CG-CD1 3.83Å; L236-L240 HydrophobicContact CG-CG 4.24Å; L236-L240 WeakPolarHBondContact O-CG 3.26Å; L236-L240 PolarHBondContact O-N 2.9Å; L237-L240 HydrophobicContact CD2-CD1 4.35Å; L237-L240 PolarHBondContact O-N 3.16Å; H238-L240 VanDerWaalsContact C-N 3.34Å; H238-L240 PolarHBondContact O-N 2.75Å; L240-P242 VanDerWaalsContact C-CD 3.46Å; L240-Y243 VanDerWaalsContact O-CB 3.31Å; L240-Y243 WeakPolarHBondContact O-CB 3.41Å; L240-Y243 WeakPolarHBondContact O-CD2 3.23Å; L240-Y243 PolarHBondContact O-N 2.98Å; L240-F244 HydrophobicContact CB-CD2 4.45Å; L240-F244 HydrophobicContact CB-CE2 4.31Å; L240-F244 WeakPolarHBondContact O-CD2 3.28Å; L240-V260 HydrophobicContact CB-CG1 3.9Å; L240-F264 HydrophobicContact CD1-CB 4.14Å; L240-F264 HydrophobicContact CD1-CD1 3.78Å; L240-F264 HydrophobicContact CD1-CD2 4.08Å; L240-F264 HydrophobicContact CD1-CE1 4.16Å; L240-F264 HydrophobicContact CD1-CE2 4.44Å; L240-F264 HydrophobicContact CD1-CG 3.72Å; L240-F264 HydrophobicContact CD1-CZ 4.47Å; L240-F264 HydrophobicContact CD2-CD2 3.99Å; L240-F264 HydrophobicContact CD2-CE2 4.01Å; L240-F264 HydrophobicContact CD2-CG 4.48Å
241R89.5Confident77.8Confident76 Ų7660.5 Ų60.529%0.28731%0.309SS..Hα-helixtrans-49.4-45.2-173175.6179-83.4153-10.1114.3L237 Y243 F244 L245 M255 V260L237-R241 WeakPolarHBondContact O-CB 3.33Å; L237-R241 PolarHBondContact O-N 3.28Å; R241-Y243 PolarHBondContact O-N 2.77Å; R241-Y243 VanDerWaalsContact O-N 3.14Å; R241-F244 PolarHBondContact O-N 3.16Å; R241-F244 VanDerWaalsContact O-N 3.12Å; R241-L245 HydrophobicContact CG-CD1 3.49Å; R241-L245 VanDerWaalsContact CG-CD1 3.49Å; R241-L245 HydrophobicContact CG-CD2 4.48Å; R241-L245 HydrophobicContact CG-CG 3.84Å; R241-L245 WeakPolarHBondContact O-CG 3.45Å; R241-L245 PolarHBondContact O-N 3.29Å; R241-L245 VanDerWaalsContact O-N 3.13Å; R241-M255 PolarHBondContact NH2-O 3.43Å; R241-V260 HydrophobicContact CB-CG2 4.5Å
242P86.9Confident76.5Confident54 Ų5467.6 Ų67.635%0.35135%0.346SS..Hα-helixtrans-57.8-28.6178.6-26.135.7000114.7H238 L240 F244H238-P242 WeakPolarHBondContact O-CD 3.29Å; L240-P242 VanDerWaalsContact C-CD 3.46Å; P242-F244 VanDerWaalsContact C-N 3.35Å
243Y86.3Confident75Confident1 Ų165.2 Ų65.20%0.00434%0.342CS..Hα-helixtrans-77.2-18.1-178.9-64.2-90.2000113.9T133 P134 L136 K215 H239 L240 R241 P407 Q430 F432T133-Y243 HydrophobicContact CG2-CE1 4.48Å; P134-Y243 VanDerWaalsContact O-CE1 3.24Å; P134-Y243 WeakPolarHBondContact O-CE1 3.37Å; P134-Y243 PolarHBondContact O-OH 3.39Å; L136-Y243 HydrophobicContact CD1-CD1 3.92Å; L136-Y243 HydrophobicContact CD1-CD2 3.83Å; L136-Y243 HydrophobicContact CD1-CE1 3.97Å; L136-Y243 HydrophobicContact CD1-CE2 3.87Å; L136-Y243 HydrophobicContact CD1-CG 3.84Å; L136-Y243 HydrophobicContact CD2-CD2 4.5Å; L136-Y243 HydrophobicContact CD2-CE1 4.42Å; L136-Y243 HydrophobicContact CD2-CE2 3.76Å; L136-Y243 HydrophobicContact CG-CD1 4.26Å; L136-Y243 HydrophobicContact CG-CD2 4.37Å; L136-Y243 HydrophobicContact CG-CE1 3.79Å; L136-Y243 HydrophobicContact CG-CE2 3.91Å; K215-Y243 HydrophobicContact CD-CE2 4.35Å; K215-Y243 VanDerWaalsContact CE-OH 3.24Å; K215-Y243 WeakPolarHBondContact CE-OH 3.1Å; H239-Y243 WeakPolarHBondContact O-CD2 3.49Å; H239-Y243 WeakPolarHBondContact O-CE2 2.79Å; L240-Y243 VanDerWaalsContact O-CB 3.31Å; L240-Y243 WeakPolarHBondContact O-CB 3.41Å; L240-Y243 WeakPolarHBondContact O-CD2 3.23Å; L240-Y243 PolarHBondContact O-N 2.98Å; R241-Y243 PolarHBondContact O-N 2.77Å; R241-Y243 VanDerWaalsContact O-N 3.14Å; Y243-P407 HydrophobicContact CD1-CG 3.61Å; Y243-P407 HydrophobicContact CE1-CG 3.68Å; Y243-Q430 PolarHBondContact O-OE1 2.92Å; Y243-F432 HydrophobicContact CD1-CE1 4.19Å
244F84.4Confident73.8Confident0 Ų071.4 Ų71.40%037%0.368CS..Hα-helixtrans-115.1-12.9-176-64.1-79.6000113.1L240 R241 P242 V260 D263 F264 V267 P429 F432L240-F244 HydrophobicContact CB-CD2 4.45Å; L240-F244 HydrophobicContact CB-CE2 4.31Å; L240-F244 WeakPolarHBondContact O-CD2 3.28Å; R241-F244 PolarHBondContact O-N 3.16Å; R241-F244 VanDerWaalsContact O-N 3.12Å; P242-F244 VanDerWaalsContact C-N 3.35Å; F244-V260 HydrophobicContact CD2-CG1 4.03Å; F244-D263 HydrophobicContact CD1-CB 3.57Å; F244-D263 HydrophobicContact CE1-CB 3.88Å; F244-D263 HydrophobicContact CG-CB 4.22Å; F244-F264 HydrophobicContact CE2-CB 3.89Å; F244-F264 HydrophobicContact CE2-CD2 4.22Å; F244-F264 VanDerWaalsContact CZ-CA 3.48Å; F244-F264 HydrophobicContact CZ-CB 3.78Å; F244-F264 HydrophobicContact CZ-CD2 4.04Å; F244-F264 HydrophobicContact CZ-CG 4.43Å; F244-V267 HydrophobicContact CE1-CG2 3.93Å; F244-P429 HydrophobicContact CD1-CB 4.32Å; F244-P429 HydrophobicContact CE1-CB 4.48Å; F244-F432 HydrophobicContact CD1-CE2 4.41Å; F244-F432 AromaticContact CE1-CE2 3.77Å; F244-F432 HydrophobicContact CE1-CE2 3.77Å; F244-F432 HydrophobicContact CE1-CZ 4.05Å; F244-F432 HydrophobicContact CZ-CE2 4.13Å; F244-F432 HydrophobicContact CZ-CZ 4.01Å
245L75.2Confident73.1Confident65 Ų6566.5 Ų66.534%0.3434%0.341SS..Hα-helixtrans-72.9-41.5174.2-75.2174.1000112.6R241 M255R241-L245 HydrophobicContact CG-CD1 3.49Å; R241-L245 VanDerWaalsContact CG-CD1 3.49Å; R241-L245 HydrophobicContact CG-CD2 4.48Å; R241-L245 HydrophobicContact CG-CG 3.84Å; R241-L245 WeakPolarHBondContact O-CG 3.45Å; R241-L245 PolarHBondContact O-N 3.29Å; R241-L245 VanDerWaalsContact O-N 3.13Å; L245-M255 HydrophobicContact CD2-CB 4.04Å; L245-M255 HydrophobicContact CD2-CG 3.79Å; L245-M255 HydrophobicContact CD2-SD 3.95Å
246R61.3Low72.8Confident170 Ų17067.7 Ų67.764%0.64235%0.347SS*.G310 helixtrans-70.8-42.6-173.4-69.8-170.5177.9-151.9-0.6113.2N248R246-N248 PolarHBondContact O-N 3.2Å; R246-N248 VanDerWaalsContact O-N 3.09Å
247G52.8Low72.5Confident22 Ų2270.7 Ų70.723%0.22737%0.365CS..G310 helixtrans-69.2-7.4-175.500000116.8
248N50.4Low72.4Confident23 Ų2376.3 Ų76.312%0.12339%0.389CS..G310 helixtrans-103.41.5-173.7-89.3-36.3000114.3R246 R250 R428R246-N248 PolarHBondContact O-N 3.2Å; R246-N248 VanDerWaalsContact O-N 3.09Å; N248-R250 HydrophobicContact CB-CB 4.22Å; N248-R250 HydrophobicContact CB-CG 3.93Å; N248-R250 PolarHBondContact O-N 3.04Å; N248-R428 PolarHBondContact OD1-O 3.46Å
249N51.1Low72.3Confident133 Ų13371.4 Ų71.471%0.71137%0.37SS*.THydrogen-bonded Turntrans46.823.8-169.4-75.8-12.5000113.6V251N249-V251 PolarHBondContact O-N 2.93Å
250R53.5Low72.3Confident103 Ų10368.7 Ų68.739%0.38936%0.358SS..  trans-88.561.4178.2-75.1177.9-175.5-171.51.3108.5N248 N252 G253N248-R250 HydrophobicContact CB-CB 4.22Å; N248-R250 HydrophobicContact CB-CG 3.93Å; N248-R250 PolarHBondContact O-N 3.04Å; R250-N252 PolarHBondContact O-N 3.48Å; R250-G253 PolarHBondContact O-N 2.99Å
251V49.9Very low72.3Confident127 Ų12769.8 Ų69.877%0.7736%0.364SS*.THydrogen-bonded Turntrans-61.4-17.8-178.6-1770000111.5N249N249-V251 PolarHBondContact O-N 2.93Å
252N48.8Very low72.5Confident169 Ų16968.2 Ų68.290%0.90436%0.361SS*.THydrogen-bonded Turntrans-130.816.3-178.6-75.2-25000115.8R250R250-N252 PolarHBondContact O-N 3.48Å
253G55Low72.8Confident36 Ų3667 Ų6737%0.37135%0.351SS..  trans-106.1120.2-177.400000113.6R250 M255R250-G253 PolarHBondContact O-N 2.99Å; G253-M255 PolarHBondContact O-N 2.85Å
254H64.1Low73.2Confident168 Ų16866.9 Ų66.978%0.77835%0.351SS*.  trans-61.6105.5172178.9-88.1000110.9T256H254-T256 PolarHBondContact O-N 3.19Å
255M74.3Confident73.7Confident8 Ų867 Ų674%0.03935%0.351CS..  trans-79.1120.3172.7-70.5-159.680.500111R241 L245 G253 A259 V260 D263R241-M255 PolarHBondContact NH2-O 3.43Å; L245-M255 HydrophobicContact CD2-CB 4.04Å; L245-M255 HydrophobicContact CD2-CG 3.79Å; L245-M255 HydrophobicContact CD2-SD 3.95Å; G253-M255 PolarHBondContact O-N 2.85Å; M255-A259 HydrophobicContact CE-CB 3.87Å; M255-V260 HydrophobicContact CB-CG2 4.33Å; M255-D263 WeakPolarHBondContact CE-OD2 3.33Å
256T84.8Confident74.6Confident70 Ų7068 Ų6843%0.42936%0.355SS..  trans-65.9150.4173.165.60000110.5H254 K258 A259 V260H254-T256 PolarHBondContact O-N 3.19Å; T256-K258 PolarHBondContact O-N 3.31Å; T256-A259 WeakPolarHBondContact O-CB 3.41Å; T256-A259 PolarHBondContact O-N 3.32Å; T256-A259 PolarHBondContact OG1-N 2.99Å; T256-V260 PolarHBondContact O-N 3.47Å
257T87.1Confident76.2Confident65 Ų6560.6 Ų60.640%0.39933%0.328SS..Hα-helixtrans-54.1-36.9173.645.60000112L237 A259 V260 L261L237-T257 HydrophobicContact CD1-CG2 4.27Å; T257-A259 PolarHBondContact O-N 2.86Å; T257-V260 PolarHBondContact O-N 3.09Å; T257-L261 WeakPolarHBondContact O-CB 3.37Å; T257-L261 PolarHBondContact O-N 3.12Å
258K89.6Confident78.2Confident128 Ų12859.6 Ų59.656%0.55732%0.318SS*.Hα-helixtrans-61.5-40.3175-173.4176.8-179.61800112.8T256 N262T256-K258 PolarHBondContact O-N 3.31Å; K258-N262 PolarHBondContact O-N 3.32Å; K258-N262 VanDerWaalsContact O-N 3.1Å; K258-N262 PolarHBondContact O-ND2 2.92Å
259A89.4Confident80.3Confident23 Ų2358.9 Ų58.919%0.1932%0.316CS..Hα-helixtrans-66.7-48.9178.100000111.1M255 T256 T257 L261 N262 D263M255-A259 HydrophobicContact CE-CB 3.87Å; T256-A259 WeakPolarHBondContact O-CB 3.41Å; T256-A259 PolarHBondContact O-N 3.32Å; T256-A259 PolarHBondContact OG1-N 2.99Å; T257-A259 PolarHBondContact O-N 2.86Å; A259-L261 VanDerWaalsContact C-N 3.29Å; A259-L261 PolarHBondContact O-N 2.59Å; A259-N262 PolarHBondContact O-N 3.02Å; A259-N262 VanDerWaalsContact O-N 3.13Å; A259-D263 PolarHBondContact O-N 3.32Å
260V91.4Very high82.3Confident2 Ų255.2 Ų55.21%0.01230%0.296CS..Hα-helixtrans-56.6-43.6177176.90000111.5L237 L240 R241 F244 M255 T256 T257 F264L237-V260 HydrophobicContact CD2-CB 4.35Å; L237-V260 HydrophobicContact CD2-CG1 4.07Å; L240-V260 HydrophobicContact CB-CG1 3.9Å; R241-V260 HydrophobicContact CB-CG2 4.5Å; F244-V260 HydrophobicContact CD2-CG1 4.03Å; M255-V260 HydrophobicContact CB-CG2 4.33Å; T256-V260 PolarHBondContact O-N 3.47Å; T257-V260 PolarHBondContact O-N 3.09Å; V260-F264 WeakPolarHBondContact O-CB 3.47Å; V260-F264 PolarHBondContact O-N 3.04Å
261L93.4Very high84.1Confident22 Ų2250.5 Ų50.512%0.11528%0.28CS..Hα-helixtrans-62.1-45.5177.6-178.257.7000112.1I204 L237 T257 A259 F264 I265I204-L261 HydrophobicContact CD1-CD1 3.64Å; I204-L261 HydrophobicContact CG2-CD1 4.1Å; L237-L261 HydrophobicContact CD2-CB 3.78Å; L237-L261 HydrophobicContact CD2-CD1 4.27Å; T257-L261 WeakPolarHBondContact O-CB 3.37Å; T257-L261 PolarHBondContact O-N 3.12Å; A259-L261 VanDerWaalsContact C-N 3.29Å; A259-L261 PolarHBondContact O-N 2.59Å; L261-F264 PolarHBondContact O-N 3.06Å; L261-I265 HydrophobicContact CD1-CD1 3.92Å; L261-I265 HydrophobicContact CD1-CG1 4.27Å; L261-I265 HydrophobicContact CG-CD1 3.84Å; L261-I265 WeakPolarHBondContact O-CD1 3.21Å; L261-I265 WeakPolarHBondContact O-CG1 3.23Å; L261-I265 PolarHBondContact O-N 3.41Å
262N93.6Very high86.2Confident43 Ų4344.5 Ų44.523%0.2324%0.243CC..Hα-helixtrans-66.1-42.5-179.6-70.5-20.9000111.7R201 K258 A259 F264 I265 Q266R201-N262 PolarHBondContact NH2-OD1 3.37Å; K258-N262 PolarHBondContact O-N 3.32Å; K258-N262 VanDerWaalsContact O-N 3.1Å; K258-N262 PolarHBondContact O-ND2 2.92Å; A259-N262 PolarHBondContact O-N 3.02Å; A259-N262 VanDerWaalsContact O-N 3.13Å; N262-F264 VanDerWaalsContact C-N 3.34Å; N262-F264 PolarHBondContact O-N 3.21Å; N262-I265 PolarHBondContact O-N 3.37Å; N262-Q266 WeakPolarHBondContact O-CB 3.39Å; N262-Q266 PolarHBondContact O-N 3.37Å
263D92.1Very high88.3Confident28 Ų2837.5 Ų37.515%0.1521%0.206CC..Hα-helixtrans-62.8-43177.3-66.8-11.5000110.7F244 M255 A259 Q266 V267 P429F244-D263 HydrophobicContact CD1-CB 3.57Å; F244-D263 HydrophobicContact CE1-CB 3.88Å; F244-D263 HydrophobicContact CG-CB 4.22Å; M255-D263 WeakPolarHBondContact CE-OD2 3.33Å; A259-D263 PolarHBondContact O-N 3.32Å; D263-Q266 PolarHBondContact O-N 2.82Å; D263-V267 WeakPolarHBondContact O-CG2 3.38Å; D263-V267 PolarHBondContact O-N 2.82Å; D263-P429 HydrophobicContact CB-CG 4.38Å
264F94.6Very high89.8Confident0 Ų038.5 Ų38.50%021%0.207CC..Hα-helixtrans-60.3-46.5174.5175.8-115.7000112.4I138 I204 L240 F244 V260 L261 N262 Q266 V267 L268 L405I138-F264 HydrophobicContact CD1-CE2 4.26Å; I138-F264 HydrophobicContact CD1-CZ 4.48Å; I138-F264 HydrophobicContact CG1-CE2 4.18Å; I138-F264 HydrophobicContact CG1-CZ 3.89Å; I204-F264 HydrophobicContact CD1-CD1 3.81Å; I204-F264 HydrophobicContact CD1-CE1 3.77Å; I204-F264 HydrophobicContact CG1-CE1 4.48Å; L240-F264 HydrophobicContact CD1-CB 4.14Å; L240-F264 HydrophobicContact CD1-CD1 3.78Å; L240-F264 HydrophobicContact CD1-CD2 4.08Å; L240-F264 HydrophobicContact CD1-CE1 4.16Å; L240-F264 HydrophobicContact CD1-CE2 4.44Å; L240-F264 HydrophobicContact CD1-CG 3.72Å; L240-F264 HydrophobicContact CD1-CZ 4.47Å; L240-F264 HydrophobicContact CD2-CD2 3.99Å; L240-F264 HydrophobicContact CD2-CE2 4.01Å; L240-F264 HydrophobicContact CD2-CG 4.48Å; F244-F264 HydrophobicContact CE2-CB 3.89Å; F244-F264 HydrophobicContact CE2-CD2 4.22Å; F244-F264 VanDerWaalsContact CZ-CA 3.48Å; F244-F264 HydrophobicContact CZ-CB 3.78Å; F244-F264 HydrophobicContact CZ-CD2 4.04Å; F244-F264 HydrophobicContact CZ-CG 4.43Å; V260-F264 WeakPolarHBondContact O-CB 3.47Å; V260-F264 PolarHBondContact O-N 3.04Å; L261-F264 PolarHBondContact O-N 3.06Å; N262-F264 VanDerWaalsContact C-N 3.34Å; N262-F264 PolarHBondContact O-N 3.21Å; F264-Q266 VanDerWaalsContact C-N 3.29Å; F264-Q266 PolarHBondContact O-N 2.97Å; F264-V267 PolarHBondContact O-N 3.29Å; F264-L268 HydrophobicContact CZ-CD2 4.4Å; F264-L268 WeakPolarHBondContact O-CB 3.3Å; F264-L268 PolarHBondContact O-N 3Å; F264-L405 HydrophobicContact CE2-CD1 4.41Å
265I96.3Very high90.1Very high1 Ų134.2 Ų34.21%0.00520%0.2CC..Hα-helixtrans-62.2-39.4177-67.9164.7000110.9H197 I200 R201 I204 L261 N262 G269H197-I265 HydrophobicContact CB-CG2 4.04Å; H197-I265 WeakPolarHBondContact ND1-CG2 3.41Å; I200-I265 HydrophobicContact CB-CG2 3.89Å; I200-I265 HydrophobicContact CD1-CG2 4.26Å; I200-I265 HydrophobicContact CG2-CB 4.29Å; I200-I265 HydrophobicContact CG2-CG1 3.88Å; I200-I265 HydrophobicContact CG2-CG2 3.94Å; R201-I265 HydrophobicContact CB-CD1 3.86Å; R201-I265 HydrophobicContact CG-CD1 4.39Å; I204-I265 HydrophobicContact CD1-CD1 4.21Å; I204-I265 HydrophobicContact CD1-CG1 3.76Å; L261-I265 HydrophobicContact CD1-CD1 3.92Å; L261-I265 HydrophobicContact CD1-CG1 4.27Å; L261-I265 HydrophobicContact CG-CD1 3.84Å; L261-I265 WeakPolarHBondContact O-CD1 3.21Å; L261-I265 WeakPolarHBondContact O-CG1 3.23Å; L261-I265 PolarHBondContact O-N 3.41Å; N262-I265 PolarHBondContact O-N 3.37Å; I265-G269 PolarHBondContact O-N 2.85Å
266Q93.8Very high89.5Confident88 Ų8834.5 Ų34.541%0.41120%0.204SC..Hα-helixtrans-65.4-45.6178.3-174.9177.28.800111.7N262 D263 F264 G269 N270N262-Q266 WeakPolarHBondContact O-CB 3.39Å; N262-Q266 PolarHBondContact O-N 3.37Å; D263-Q266 PolarHBondContact O-N 2.82Å; F264-Q266 VanDerWaalsContact C-N 3.29Å; F264-Q266 PolarHBondContact O-N 2.97Å; Q266-G269 PolarHBondContact O-N 3Å; Q266-N270 WeakPolarHBondContact O-CB 3.25Å; Q266-N270 PolarHBondContact O-N 3.36Å; Q266-N270 PolarHBondContact O-ND2 3.5Å
267V93.8Very high87.9Confident14 Ų1434.5 Ų34.59%0.08522%0.218CC..Hα-helixtrans-62.4-45.8176.51710000110.8F244 D263 F264 N270 A271 L405 P429 F432F244-V267 HydrophobicContact CE1-CG2 3.93Å; D263-V267 WeakPolarHBondContact O-CG2 3.38Å; D263-V267 PolarHBondContact O-N 2.82Å; F264-V267 PolarHBondContact O-N 3.29Å; V267-N270 WeakPolarHBondContact O-CB 3.37Å; V267-N270 PolarHBondContact O-N 3Å; V267-A271 PolarHBondContact O-N 3.11Å; V267-L405 HydrophobicContact CG1-CD1 3.73Å; V267-L405 HydrophobicContact CG1-CD2 3.93Å; V267-L405 HydrophobicContact CG1-CG 4.44Å; V267-P429 HydrophobicContact CG2-CB 4.04Å; V267-P429 HydrophobicContact CG2-CG 4.41Å; V267-F432 HydrophobicContact CB-CD2 4.43Å; V267-F432 HydrophobicContact CG1-CB 4.29Å; V267-F432 HydrophobicContact CG1-CD2 3.65Å; V267-F432 HydrophobicContact CG1-CE2 4.18Å; V267-F432 HydrophobicContact CG1-CG 4.04Å; V267-F432 HydrophobicContact CG2-CD2 3.91Å; V267-F432 HydrophobicContact CG2-CE2 4.01Å
268L95.4Very high86Confident0 Ų034.5 Ų34.50%023%0.231CC..Hα-helixtrans-63.7-43.2177.8-178.355.4000112I138 I140 I200 F264 N270 A271 L272 V403I138-L268 HydrophobicContact CB-CD1 4.37Å; I138-L268 HydrophobicContact CG2-CD1 4.38Å; I138-L268 HydrophobicContact CG2-CD2 4.11Å; I140-L268 HydrophobicContact CD1-CD1 4.21Å; I140-L268 HydrophobicContact CD1-CD2 4.17Å; I140-L268 HydrophobicContact CD1-CG 4.44Å; I200-L268 HydrophobicContact CD1-CG 4.36Å; I200-L268 HydrophobicContact CG2-CD2 3.72Å; I200-L268 HydrophobicContact CG2-CG 4.49Å; F264-L268 HydrophobicContact CZ-CD2 4.4Å; F264-L268 WeakPolarHBondContact O-CB 3.3Å; F264-L268 PolarHBondContact O-N 3Å; L268-N270 VanDerWaalsContact C-N 3.33Å; L268-N270 PolarHBondContact O-N 2.84Å; L268-A271 PolarHBondContact O-N 3.37Å; L268-L272 HydrophobicContact CG-CD1 4.41Å; L268-L272 WeakPolarHBondContact O-CG 3.41Å; L268-L272 PolarHBondContact O-N 3.17Å; L268-V403 HydrophobicContact CD1-CB 3.96Å; L268-V403 HydrophobicContact CD1-CG1 3.96Å; L268-V403 HydrophobicContact CD1-CG2 3.94Å
269G94.3Very high83.7Confident9 Ų936.7 Ų36.79%0.09325%0.249CC..Hα-helixtrans-62-38.8174.900000112.7I265 Q266 L273I265-G269 PolarHBondContact O-N 2.85Å; Q266-G269 PolarHBondContact O-N 3Å; G269-L273 WeakPolarHBondContact O-CB 3.37Å; G269-L273 WeakPolarHBondContact O-CG 3.49Å; G269-L273 PolarHBondContact O-N 2.97Å; G269-L273 VanDerWaalsContact O-N 3.15Å
270N92.4Very high81.6Confident56 Ų5637 Ų3730%0.29925%0.254SS..Hα-helixtrans-63.7-48.4173.8-73.9-22.5000111.4R193 Q266 V267 L268 L272 L273 S274R193-N270 VanDerWaalsContact CZ-OD1 3.3Å; R193-N270 PolarHBondContact NH1-OD1 2.89Å; R193-N270 PolarHBondContact NH2-OD1 2.9Å; Q266-N270 WeakPolarHBondContact O-CB 3.25Å; Q266-N270 PolarHBondContact O-N 3.36Å; Q266-N270 PolarHBondContact O-ND2 3.5Å; V267-N270 WeakPolarHBondContact O-CB 3.37Å; V267-N270 PolarHBondContact O-N 3Å; L268-N270 VanDerWaalsContact C-N 3.33Å; L268-N270 PolarHBondContact O-N 2.84Å; N270-L272 VanDerWaalsContact C-N 3.27Å; N270-L272 PolarHBondContact O-N 2.99Å; N270-L273 CarbonylContact O-C 3.48Å; N270-L273 PolarHBondContact O-N 3.23Å; N270-S274 PolarHBondContact O-N 3.45Å; N270-S274 PolarHBondContact O-OG 2.79Å; N270-S274 VanDerWaalsContact O-OG 3.06Å
271A92.8Very high79.4Confident4 Ų439.4 Ų39.43%0.03328%0.279CS..Hα-helixtrans-59.2-38.3179.200000112.5V267 L268 L273 S274 V403 L405V267-A271 PolarHBondContact O-N 3.11Å; L268-A271 PolarHBondContact O-N 3.37Å; A271-L273 VanDerWaalsContact C-N 3.32Å; A271-L273 PolarHBondContact O-N 3.02Å; A271-S274 WeakPolarHBondContact O-CB 3.34Å; A271-S274 PolarHBondContact O-N 3.42Å; A271-V403 HydrophobicContact CB-CG1 3.64Å; A271-L405 HydrophobicContact CB-CD2 4.13Å
272L93.7Very high77.2Confident1 Ų147.6 Ų47.61%0.00532%0.317CS..Hα-helixtrans-70.2-26.5175.4-70.9172.2000113.6I140 L188 M196 I200 L268 N270 L317 I401 V403I140-L272 HydrophobicContact CD1-CD1 4.09Å; L188-L272 HydrophobicContact CD1-CD1 4.07Å; M196-L272 HydrophobicContact CE-CB 4.15Å; M196-L272 HydrophobicContact CE-CD1 4.5Å; I200-L272 HydrophobicContact CD1-CD1 4.3Å; L268-L272 HydrophobicContact CG-CD1 4.41Å; L268-L272 WeakPolarHBondContact O-CG 3.41Å; L268-L272 PolarHBondContact O-N 3.17Å; N270-L272 VanDerWaalsContact C-N 3.27Å; N270-L272 PolarHBondContact O-N 2.99Å; L272-L317 HydrophobicContact CB-CD1 4.03Å; L272-I401 HydrophobicContact CD2-CD1 4.43Å; L272-I401 HydrophobicContact CD2-CG2 4.08Å; L272-V403 HydrophobicContact CD2-CG2 3.85Å; L272-V403 HydrophobicContact CG-CG2 4.4Å
273L91.6Very high75.2Confident22 Ų2247.8 Ų47.812%0.11532%0.319CS..Hα-helixtrans-91.2-13177.5-72174.6000113.3R193 M196 G269 N270 A271 A275 L311 P312R193-L273 HydrophobicContact CG-CD1 4.13Å; M196-L273 HydrophobicContact CE-CD1 4.49Å; M196-L273 HydrophobicContact CE-CD2 4.09Å; M196-L273 HydrophobicContact CE-CG 3.98Å; M196-L273 HydrophobicContact SD-CD1 3.92Å; M196-L273 HydrophobicContact SD-CD2 3.7Å; M196-L273 HydrophobicContact SD-CG 3.88Å; G269-L273 WeakPolarHBondContact O-CB 3.37Å; G269-L273 WeakPolarHBondContact O-CG 3.49Å; G269-L273 PolarHBondContact O-N 2.97Å; G269-L273 VanDerWaalsContact O-N 3.15Å; N270-L273 CarbonylContact O-C 3.48Å; N270-L273 PolarHBondContact O-N 3.23Å; A271-L273 VanDerWaalsContact C-N 3.32Å; A271-L273 PolarHBondContact O-N 3.02Å; L273-A275 PolarHBondContact O-N 3.34Å; L273-L311 HydrophobicContact CD2-CD2 4.22Å; L273-P312 HydrophobicContact CD2-CG 4.17Å
274S87.3Confident73.5Confident56 Ų5651 Ų5139%0.39234%0.34SS..  trans-54.9128.6-179.5-690000111.4N270 A271N270-S274 PolarHBondContact O-N 3.45Å; N270-S274 PolarHBondContact O-OG 2.79Å; N270-S274 VanDerWaalsContact O-OG 3.06Å; A271-S274 WeakPolarHBondContact O-CB 3.34Å; A271-S274 PolarHBondContact O-N 3.42Å
275A70.8Confident71.7Confident78 Ų7857 Ų5765%0.64537%0.372SS*.  trans-67.6144.4179.700000110.9L273 G277L273-A275 PolarHBondContact O-N 3.34Å; A275-G277 PolarHBondContact O-N 2.85Å
276A61.7Low70.6Confident15 Ų1560.4 Ų60.412%0.12439%0.385CS..  trans-67.396.916800000109.9K74 F75 G278 N314K74-A276 VanDerWaalsContact CE-CA 3.48Å; K74-A276 PolarHBondContact NZ-O 2.92Å; F75-A276 HydrophobicContact CE2-CB 3.99Å; F75-A276 HydrophobicContact CZ-CB 3.94Å; A276-G278 PolarHBondContact O-N 3.22Å; A276-N314 HydrophobicContact CB-CB 4.35Å; A276-N314 WeakPolarHBondContact CB-O 3.28Å
277G49.9Very low69.1Low70 Ų7062.1 Ų62.172%0.72240%0.401SS*.  trans-59122.8166.700000111.5K74 A275K74-G277 PolarHBondContact NZ-O 2.92Å; A275-G277 PolarHBondContact O-N 2.85Å
278G47Very low67.6Low64 Ų6463.6 Ų63.666%0.6642%0.42SS*.SBendtrans122.6145.1179.200000114.4A276 G280A276-G278 PolarHBondContact O-N 3.22Å; G278-G280 PolarHBondContact O-N 3.19Å
279D43.1Very low66Low175 Ų17569.7 Ų69.794%0.93645%0.448SS*.  trans-54.3114-173-159.314.6000111.5G281D279-G281 PolarHBondContact O-N 3.11Å
280G43.6Very low64.6Low29 Ų2970.7 Ų70.730%0.29946%0.458SS..  trans-78.8113.3-169.700000110.2G278 Q282G278-G280 PolarHBondContact O-N 3.19Å; G280-Q282 PolarHBondContact O-N 3.45Å
281G46.5Very low64Low52 Ų5274.2 Ų74.254%0.53647%0.468SS..  trans-44.4140.4160.800000110.4D279 V283D279-G281 PolarHBondContact O-N 3.11Å; G281-V283 WeakPolarHBondContact O-CG2 3.32Å; G281-V283 PolarHBondContact O-N 3.45Å
282Q47.1Very low63.6Low195 Ų19577.9 Ų77.991%0.91149%0.493SS*.  trans-51.1100.3-167-152.6173.945.100111.4G280 T284G280-Q282 PolarHBondContact O-N 3.45Å; Q282-T284 PolarHBondContact O-N 2.85Å
283V51.3Low63.4Low47 Ų4779.7 Ų79.729%0.28550%0.501SS..  trans-81.5113173.4-1790000106.8G281 D285 N314 Q322G281-V283 WeakPolarHBondContact O-CG2 3.32Å; G281-V283 PolarHBondContact O-N 3.45Å; V283-D285 PolarHBondContact O-N 3.25Å; V283-D285 VanDerWaalsContact O-N 3.17Å; V283-N314 VanDerWaalsContact CG2-OD1 3.29Å; V283-N314 WeakPolarHBondContact CG2-OD1 3.42Å; V283-Q322 HydrophobicContact CG1-CG 4.13Å
284T55.5Low63.5Low94 Ų9479 Ų7958%0.57750%0.497SS*.  trans-67.2112.8167.847.30000107.7Q282 R286 Q322Q282-T284 PolarHBondContact O-N 2.85Å; T284-R286 PolarHBondContact O-N 3.45Å; T284-Q322 PolarHBondContact O-OE1 3.47Å
285D58.4Low63.8Low126 Ų12680.2 Ų80.267%0.67450%0.497SS*.  trans-76.390.4177.8-169.516.5000108.9V283 T287 Q322V283-D285 PolarHBondContact O-N 3.25Å; V283-D285 VanDerWaalsContact O-N 3.17Å; D285-T287 PolarHBondContact O-N 2.99Å; D285-Q322 PolarHBondContact OD1-NE2 2.96Å
286R71.8Confident64.9Low74 Ų7478.1 Ų78.128%0.27948%0.48SS..  trans-78.4113.6171.7-53.8177171.2-125.3-8.7106.9T284 Q322 M325T284-R286 PolarHBondContact O-N 3.45Å; R286-Q322 PolarHBondContact O-NE2 3.34Å; R286-Q322 PolarHBondContact O-OE1 2.79Å; R286-M325 HydrophobicContact CB-CE 3.83Å; R286-M325 WeakPolarHBondContact O-CE 3.5Å
287T62.9Low66.5Low123 Ų12378.3 Ų78.376%0.75548%0.48SS*.  trans-78.6125.8172.4-1.20000108.7D285 E289D285-T287 PolarHBondContact O-N 2.99Å; T287-E289 PolarHBondContact O-N 2.69Å
288G61.8Low68.5Low46 Ų4680.5 Ų80.547%0.47448%0.475SS..  trans-73123.1-18000000110.6G290G288-G290 PolarHBondContact O-N 3.34Å
289E63.2Low70.4Confident128 Ų12878.4 Ų78.460%0.59845%0.448SS*.SBendtrans-67.5-15.4171.5-64.3-171.3153.600112.4S149 K151 T287S149-E289 PolarHBondContact OG-OE2 3.21Å; K151-E289 IonicContact NZ-OE1 3.9Å; K151-E289 PolarHBondContact NZ-OE1 2.96Å; K151-E289 IonicContact NZ-OE2 2.69Å; K151-E289 PolarHBondContact NZ-OE2 3.25Å; T287-E289 PolarHBondContact O-N 2.69Å
290G64.4Low72Confident30 Ų3073.6 Ų73.631%0.30942%0.422SS..SBendtrans-81162.8-176.600000114.4G288G288-G290 PolarHBondContact O-N 3.34Å
291R80.3Confident73.3Confident130 Ų13079.8 Ų79.849%0.49144%0.436SS..  trans-61.4143175.3-59177.4178.8-163.94.5110.8L147 F293 E295L147-R291 HydrophobicContact CD1-CB 3.98Å; R291-F293 PolarHBondContact O-N 3.47Å; R291-E295 IonicContact CZ-OE1 3.65Å; R291-E295 IonicContact NH1-OE1 2.8Å; R291-E295 PolarHBondContact NH1-OE1 3.48Å
292S83.5Confident74Confident80 Ų8085.2 Ų85.256%0.55945%0.447SS*.SBendtrans-79.90.5175.957.20000114.4R195R195-S292 PolarHBondContact NH1-O 2.68Å; R195-S292 PolarHBondContact NH2-O 2.99Å; R195-S292 VanDerWaalsContact NH2-O 3.16Å
293F89.1Confident74.6Confident39 Ų3983.9 Ų83.917%0.17143%0.434CS..SBendtrans-133.5140.7-177.8-67.2-87.7000111.5L147 R195 R291 I304L147-F293 WeakPolarHBondContact CD1-O 3.32Å; R195-F293 VanDerWaalsContact NH1-CE1 3.27Å; R291-F293 PolarHBondContact O-N 3.47Å; F293-I304 HydrophobicContact CE1-CD1 3.52Å; F293-I304 HydrophobicContact CZ-CD1 3.41Å; F293-I304 VanDerWaalsContact CZ-CD1 3.41Å
294C93.9Very high75.1Confident7 Ų783.9 Ų83.95%0.04743%0.432CS..  trans-93.5129.2171.4-179.60000109.3C162 C184 L186 A296 S297C162-C294 PolarHBondContact N-SG 3.37Å; C184-C294 WeakPolarHBondContact SG-CB 3.46Å; L186-C294 HydrophobicContact CB-CB 4.42Å; L186-C294 HydrophobicContact CD2-CB 4.05Å; C294-A296 PolarHBondContact O-N 3.28Å; C294-A296 PolarHBondContact SG-N 3.34Å; C294-S297 WeakPolarHBondContact O-CB 3.35Å; C294-S297 PolarHBondContact O-N 3.49Å; C294-S297 VanDerWaalsContact O-N 3.12Å
295E94.2Very high74.9Confident82 Ų8290 Ų9038%0.38344%0.444SS..THydrogen-bonded Turntrans-67.4-19.8177.5-70.3-177.2-16700113.6R160 V161 R291R160-E295 HydrophobicContact CB-CG 4.31Å; R160-E295 IonicContact CZ-OE1 2.71Å; R160-E295 IonicContact CZ-OE2 3.37Å; R160-E295 IonicContact NE-OE1 2.91Å; R160-E295 PolarHBondContact NE-OE1 2.79Å; R160-E295 IonicContact NE-OE2 2.56Å; R160-E295 PolarHBondContact NE-OE2 3.21Å; R160-E295 IonicContact NH2-OE1 2.69Å; R160-E295 PolarHBondContact NH2-OE1 2.98Å; R160-E295 IonicContact NH2-OE2 3.48Å; R160-E295 PolarHBondContact NH2-OE2 3.42Å; R160-E295 PolarHBondContact O-N 2.94Å; V161-E295 HydrophobicContact CG2-CB 4.22Å; R291-E295 IonicContact CZ-OE1 3.65Å; R291-E295 IonicContact NH1-OE1 2.8Å; R291-E295 PolarHBondContact NH1-OE1 3.48Å
296A94.3Very high74.6Confident34 Ų3491.5 Ų91.528%0.28145%0.447SS..THydrogen-bonded Turntrans-85.3-5.1174.800000113.7V161 C165 C294V161-A296 HydrophobicContact CG1-CB 3.58Å; V161-A296 HydrophobicContact CG2-CB 4.33Å; C165-A296 HydrophobicContact CB-CB 3.67Å; C294-A296 PolarHBondContact O-N 3.28Å; C294-A296 PolarHBondContact SG-N 3.34Å
297S94Very high73.6Confident20 Ų2091.6 Ų91.614%0.1447%0.471CS..  trans-73.7134.1171.8176.90000110D187 C294 F299D187-S297 WeakPolarHBondContact OD2-CB 3.28Å; D187-S297 PolarHBondContact OD2-OG 3.28Å; C294-S297 WeakPolarHBondContact O-CB 3.35Å; C294-S297 PolarHBondContact O-N 3.49Å; C294-S297 VanDerWaalsContact O-N 3.12Å; S297-F299 VanDerWaalsContact C-N 3.27Å; S297-F299 PolarHBondContact OG-N 3.03Å
298L92.2Very high73.3Confident115 Ų11588.7 Ų88.760%0.60246%0.456SS*.  trans-876.4176.3-60-176000113.1L182 F198 N300L182-L298 HydrophobicContact CD1-CD1 4.1Å; L182-L298 HydrophobicContact CD2-CD1 3.72Å; L182-L298 HydrophobicContact CG-CD1 4.47Å; F198-L298 HydrophobicContact CZ-CB 4.11Å; L298-N300 PolarHBondContact O-N 2.85Å
299F87.5Confident73.4Confident21 Ų2195.1 Ų95.19%0.09247%0.473CS..SBendtrans-67.1122.9175.9-176-93000110.7Q194 R195 F198 S297 R301 I304Q194-F299 HydrophobicContact CB-CE2 4Å; Q194-F299 HydrophobicContact CB-CZ 3.76Å; R195-F299 HydrophobicContact CG-CD1 3.69Å; R195-F299 HydrophobicContact CG-CD2 4.39Å; R195-F299 HydrophobicContact CG-CE1 3.59Å; R195-F299 HydrophobicContact CG-CE2 4.29Å; R195-F299 HydrophobicContact CG-CG 4.09Å; R195-F299 HydrophobicContact CG-CZ 3.91Å; F198-F299 HydrophobicContact CB-CD2 3.66Å; F198-F299 HydrophobicContact CB-CE2 4.2Å; F198-F299 HydrophobicContact CD1-CB 4.11Å; F198-F299 HydrophobicContact CD1-CD2 4.31Å; F198-F299 AromaticContact CD2-CD2 3.97Å; F198-F299 HydrophobicContact CD2-CD2 3.97Å; F198-F299 HydrophobicContact CE1-CB 4.26Å; F198-F299 HydrophobicContact CG-CB 4.35Å; F198-F299 AromaticContact CG-CD2 3.75Å; F198-F299 HydrophobicContact CG-CD2 3.75Å; S297-F299 VanDerWaalsContact C-N 3.27Å; S297-F299 PolarHBondContact OG-N 3.03Å; F299-R301 PolarHBondContact O-N 2.81Å; F299-R301 VanDerWaalsContact O-N 3.16Å; F299-I304 HydrophobicContact CE1-CD1 4.42Å; F299-I304 HydrophobicContact CE1-CG1 4.16Å
300N77.1Confident74.1Confident73 Ų7391.1 Ų91.139%0.3947%0.466SS..  trans-66.7115-179.5-175.9-11.9000111.2L298 E302 R303L298-N300 PolarHBondContact O-N 2.85Å; N300-E302 VanDerWaalsContact C-N 3.32Å; N300-E302 PolarHBondContact O-N 2.97Å; N300-E302 VanDerWaalsContact OD1-CB 3.31Å; N300-E302 WeakPolarHBondContact OD1-CB 3.33Å; N300-E302 PolarHBondContact OD1-N 3.39Å; N300-R303 HydrophobicContact CB-CG 4.25Å; N300-R303 WeakPolarHBondContact O-CB 3.47Å; N300-R303 PolarHBondContact O-N 3.05Å
301R69.7Low75.1Confident160 Ų16091 Ų9160%0.60446%0.459SS*.G310 helixtrans-67.8-27.7-177.6-56.3179.285.2-171.84.2113.2F299 R303 I304F299-R301 PolarHBondContact O-N 2.81Å; F299-R301 VanDerWaalsContact O-N 3.16Å; R301-R303 PolarHBondContact O-N 3.44Å; R301-R303 VanDerWaalsContact O-N 3.15Å; R301-I304 WeakPolarHBondContact O-CG1 3.43Å; R301-I304 PolarHBondContact O-N 2.91Å; R301-I304 VanDerWaalsContact O-N 3.16Å
302E61Low75.3Confident165 Ų16587.2 Ų87.277%0.77145%0.451SS*.G310 helixtrans-66.2-15.1178.1-59.5175.1166.300112.8N300 I304N300-E302 VanDerWaalsContact C-N 3.32Å; N300-E302 PolarHBondContact O-N 2.97Å; N300-E302 VanDerWaalsContact OD1-CB 3.31Å; N300-E302 WeakPolarHBondContact OD1-CB 3.33Å; N300-E302 PolarHBondContact OD1-N 3.39Å; E302-I304 VanDerWaalsContact C-N 3.25Å; E302-I304 PolarHBondContact O-N 3.25Å
303R60.1Low75Confident167 Ų16788.8 Ų88.863%0.6346%0.457SS*.G310 helixtrans-76.8-9.8176.3-66.1-173.4172.6-167-2.1113.4N300 R301 R305N300-R303 HydrophobicContact CB-CG 4.25Å; N300-R303 WeakPolarHBondContact O-CB 3.47Å; N300-R303 PolarHBondContact O-N 3.05Å; R301-R303 PolarHBondContact O-N 3.44Å; R301-R303 VanDerWaalsContact O-N 3.15Å; R303-R305 PolarHBondContact O-N 3.2Å
304I63.2Low74.4Confident48 Ų4889 Ų8925%0.24646%0.46CS..  trans-83.683.2179.3-52.9177.7000108.8F293 F299 R301 E302 H306F293-I304 HydrophobicContact CE1-CD1 3.52Å; F293-I304 HydrophobicContact CZ-CD1 3.41Å; F293-I304 VanDerWaalsContact CZ-CD1 3.41Å; F299-I304 HydrophobicContact CE1-CD1 4.42Å; F299-I304 HydrophobicContact CE1-CG1 4.16Å; R301-I304 WeakPolarHBondContact O-CG1 3.43Å; R301-I304 PolarHBondContact O-N 2.91Å; R301-I304 VanDerWaalsContact O-N 3.16Å; E302-I304 VanDerWaalsContact C-N 3.25Å; E302-I304 PolarHBondContact O-N 3.25Å; I304-H306 WeakPolarHBondContact CG2-O 3.31Å
305R51Low74.2Confident221 Ų22188.7 Ų88.783%0.83446%0.458SS*.  trans-83-10.9178.7-66.3-174.2-176.3-176.30.7114.2R303R303-R305 PolarHBondContact O-N 3.2Å
306H50.7Low74.2Confident159 Ų15984.9 Ų84.974%0.73644%0.44SS*.SBendtrans-137.4139.9-178.4-64.1-70000110.5I304 S308I304-H306 WeakPolarHBondContact CG2-O 3.31Å; H306-S308 PolarHBondContact O-N 3.31Å
307G51.3Low74.3Confident75 Ų7583.2 Ų83.277%0.77343%0.427SS*.  trans-51.6127.4177.900000111Q309G307-Q309 PolarHBondContact O-N 3.07Å
308S56.7Low74.3Confident63 Ų6383.1 Ų83.144%0.44143%0.426SS..  trans-70.2112.2175.751.40000109H306 G310H306-S308 PolarHBondContact O-N 3.31Å; S308-G310 PolarHBondContact O-N 3.27Å
309Q63.5Low74.4Confident180 Ų18078.3 Ų78.384%0.84140%0.4SS*.  trans-59.2120151.8-61.1-172.7-6.200105G307G307-Q309 PolarHBondContact O-N 3.07Å
310G78.8Confident74.8Confident44 Ų4477.3 Ų77.345%0.45440%0.396SS..  trans-61.2-159.3-17600000112.7S308 P312S308-G310 PolarHBondContact O-N 3.27Å; G310-P312 WeakPolarHBondContact O-CD 3.36Å
311L86.1Confident75.7Confident28 Ų2875.1 Ų75.115%0.14738%0.384CS..SBendtrans-60.7134.9173.1-71.7168.4000110.2F189 L273 T313 L317 L321F189-L311 HydrophobicContact CB-CD1 4.26Å; F189-L311 HydrophobicContact CD1-CD1 4.05Å; F189-L311 VanDerWaalsContact O-CD1 3.24Å; F189-L311 WeakPolarHBondContact O-CD1 3.32Å; F189-L311 WeakPolarHBondContact O-CG 3.37Å; L273-L311 HydrophobicContact CD2-CD2 4.22Å; L311-T313 PolarHBondContact O-N 2.8Å; L311-L317 HydrophobicContact CD1-CB 3.89Å; L311-L317 HydrophobicContact CD2-CB 3.85Å; L311-L317 HydrophobicContact CD2-CD1 4.01Å; L311-L321 HydrophobicContact CD1-CD2 4.09Å
312P84.7Confident77Confident51 Ų5168.5 Ų68.533%0.33136%0.36SS..PPolyproline II helixtrans-51.5133.8170.9-27.731.1000111.9L273 G310 N314 N315L273-P312 HydrophobicContact CD2-CG 4.17Å; G310-P312 WeakPolarHBondContact O-CD 3.36Å; P312-N314 PolarHBondContact O-N 2.98Å; P312-N315 HydrophobicContact CB-CB 4.37Å; P312-N315 WeakPolarHBondContact CD-ND2 3.35Å; P312-N315 VanDerWaalsContact O-CG 3.31Å; P312-N315 PolarHBondContact O-N 3.39Å; P312-N315 PolarHBondContact O-OD1 3.32Å
313T76.3Confident78.7Confident112 Ų11260.9 Ų60.969%0.68732%0.324SS*.THydrogen-bonded Turntrans-54.2139176.6-45.20000110L311 N315L311-T313 PolarHBondContact O-N 2.8Å; T313-N315 PolarHBondContact O-N 2.99Å; T313-N315 VanDerWaalsContact O-N 3.12Å
314N77.2Confident80.4Confident44 Ų4452.9 Ų52.924%0.23529%0.294CS..THydrogen-bonded Turntrans66.21.8178.4-59.9-35.2000116.8A276 V283 P312 R319A276-N314 HydrophobicContact CB-CB 4.35Å; A276-N314 WeakPolarHBondContact CB-O 3.28Å; V283-N314 VanDerWaalsContact CG2-OD1 3.29Å; V283-N314 WeakPolarHBondContact CG2-OD1 3.42Å; P312-N314 PolarHBondContact O-N 2.98Å; N314-R319 PolarHBondContact O-NE 3.46Å
315N89.3Confident82Confident0 Ų051.7 Ų51.70%029%0.287CS..SBendtrans-70.5163.7169.8876.4000111.5P312 T313 L317 S318 R319P312-N315 HydrophobicContact CB-CB 4.37Å; P312-N315 WeakPolarHBondContact CD-ND2 3.35Å; P312-N315 VanDerWaalsContact O-CG 3.31Å; P312-N315 PolarHBondContact O-N 3.39Å; P312-N315 PolarHBondContact O-OD1 3.32Å; T313-N315 PolarHBondContact O-N 2.99Å; T313-N315 VanDerWaalsContact O-N 3.12Å; N315-L317 PolarHBondContact O-N 3.25Å; N315-L317 PolarHBondContact OD1-N 2.95Å; N315-S318 WeakPolarHBondContact O-CB 3.43Å; N315-S318 PolarHBondContact O-N 2.87Å; N315-S318 VanDerWaalsContact OD1-CB 3.29Å; N315-S318 WeakPolarHBondContact OD1-CB 3.3Å; N315-S318 PolarHBondContact OD1-N 3.37Å; N315-R319 WeakPolarHBondContact O-CG 3.4Å; N315-R319 PolarHBondContact O-N 3.48Å
316I93.6Very high84.1Confident2 Ų241.8 Ų41.81%0.0125%0.251CS..Hα-helixtrans-64.5-38.3-173.1-168.949.9000113.1F75 S318 R319 I320 V436 V438F75-I316 HydrophobicContact CB-CD1 3.8Å; F75-I316 HydrophobicContact CD1-CB 4.16Å; F75-I316 HydrophobicContact CD1-CD1 3.99Å; F75-I316 HydrophobicContact CD1-CG1 4.1Å; F75-I316 HydrophobicContact CD2-CD1 3.86Å; F75-I316 HydrophobicContact CE1-CB 3.94Å; F75-I316 HydrophobicContact CE1-CG1 4.4Å; F75-I316 HydrophobicContact CE2-CD1 4.34Å; F75-I316 HydrophobicContact CG-CD1 3.63Å; F75-I316 HydrophobicContact CG-CG1 4.25Å; F75-I316 HydrophobicContact CZ-CB 4.12Å; I316-S318 VanDerWaalsContact C-N 3.33Å; I316-S318 PolarHBondContact O-N 2.82Å; I316-R319 PolarHBondContact O-N 3.38Å; I316-I320 HydrophobicContact CD1-CD1 4.25Å; I316-I320 HydrophobicContact CD1-CG1 4.26Å; I316-I320 HydrophobicContact CG1-CD1 3.93Å; I316-I320 HydrophobicContact CG1-CG1 4.43Å; I316-I320 WeakPolarHBondContact O-CB 3.46Å; I316-I320 VanDerWaalsContact O-CG1 3.29Å; I316-I320 WeakPolarHBondContact O-CG1 3.47Å; I316-I320 PolarHBondContact O-N 3.49Å; I316-V436 HydrophobicContact CG1-CG1 4.39Å; I316-V436 HydrophobicContact CG2-CG1 3.96Å; I316-V438 HydrophobicContact CD1-CG2 3.6Å; I316-V438 HydrophobicContact CG1-CG2 3.87Å
317L95.6Very high86.3Confident0 Ų034.8 Ų34.80%022%0.219CC..Hα-helixtrans-64-40.2177.4-72.8-179.3000111.4F189 M196 L272 L311 N315 L321 I401F189-L317 HydrophobicContact CD1-CB 4.13Å; F189-L317 HydrophobicContact CD1-CD2 4.19Å; F189-L317 HydrophobicContact CE1-CB 4.22Å; F189-L317 HydrophobicContact CE1-CD2 3.79Å; F189-L317 WeakPolarHBondContact CE1-O 3.38Å; F189-L317 HydrophobicContact CZ-CD2 4.18Å; M196-L317 HydrophobicContact CE-CD1 3.68Å; L272-L317 HydrophobicContact CB-CD1 4.03Å; L311-L317 HydrophobicContact CD1-CB 3.89Å; L311-L317 HydrophobicContact CD2-CB 3.85Å; L311-L317 HydrophobicContact CD2-CD1 4.01Å; N315-L317 PolarHBondContact O-N 3.25Å; N315-L317 PolarHBondContact OD1-N 2.95Å; L317-L321 VanDerWaalsContact O-CB 3.27Å; L317-L321 WeakPolarHBondContact O-CB 3.26Å; L317-L321 PolarHBondContact O-N 2.99Å; L317-I401 HydrophobicContact CD2-CD1 3.62Å
318S94Very high88.3Confident17 Ų1733.2 Ų33.212%0.11920%0.197CC..Hα-helixtrans-63.8-46.5176.2-1740000110.3N315 I316 L321 Q322N315-S318 WeakPolarHBondContact O-CB 3.43Å; N315-S318 PolarHBondContact O-N 2.87Å; N315-S318 VanDerWaalsContact OD1-CB 3.29Å; N315-S318 WeakPolarHBondContact OD1-CB 3.3Å; N315-S318 PolarHBondContact OD1-N 3.37Å; I316-S318 VanDerWaalsContact C-N 3.33Å; I316-S318 PolarHBondContact O-N 2.82Å; S318-L321 PolarHBondContact O-N 3.29Å; S318-Q322 WeakPolarHBondContact O-CB 3.49Å; S318-Q322 VanDerWaalsContact O-CG 3.28Å; S318-Q322 WeakPolarHBondContact O-CG 3.22Å; S318-Q322 PolarHBondContact O-N 3.39Å
319R95Very high90.2Very high15 Ų1531.3 Ų31.36%0.05718%0.181CC..Hα-helixtrans-64.7-41.6179.4-68.1-179173-94.5-2.9112.7L71 N314 N315 I316 Q322 T323L71-R319 HydrophobicContact CD2-CB 4.42Å; L71-R319 WeakPolarHBondContact O-CD 3.38Å; N314-R319 PolarHBondContact O-NE 3.46Å; N315-R319 WeakPolarHBondContact O-CG 3.4Å; N315-R319 PolarHBondContact O-N 3.48Å; I316-R319 PolarHBondContact O-N 3.38Å; R319-Q322 PolarHBondContact O-N 3.16Å; R319-T323 WeakPolarHBondContact O-CB 3.36Å; R319-T323 PolarHBondContact O-N 2.87Å; R319-T323 PolarHBondContact O-OG1 2.95Å
320I97.3Very high91.8Very high0 Ų023.5 Ų23.50%015%0.145CC..Hα-helixtrans-60.5-48.4172.3-71.3169.3000109.8L71 F189 I316 Q322 T323 Q324 I401 V438L71-I320 HydrophobicContact CD2-CG1 3.87Å; F189-I320 HydrophobicContact CE1-CB 4.31Å; F189-I320 HydrophobicContact CE1-CG2 3.99Å; F189-I320 HydrophobicContact CZ-CG2 3.94Å; I316-I320 HydrophobicContact CD1-CD1 4.25Å; I316-I320 HydrophobicContact CD1-CG1 4.26Å; I316-I320 HydrophobicContact CG1-CD1 3.93Å; I316-I320 HydrophobicContact CG1-CG1 4.43Å; I316-I320 WeakPolarHBondContact O-CB 3.46Å; I316-I320 VanDerWaalsContact O-CG1 3.29Å; I316-I320 WeakPolarHBondContact O-CG1 3.47Å; I316-I320 PolarHBondContact O-N 3.49Å; I320-Q322 PolarHBondContact O-N 3.18Å; I320-T323 WeakPolarHBondContact O-CB 3.39Å; I320-T323 PolarHBondContact O-N 3.41Å; I320-T323 VanDerWaalsContact O-N 3.17Å; I320-Q324 HydrophobicContact CG2-CG 4.19Å; I320-Q324 VanDerWaalsContact O-CG 3.26Å; I320-Q324 WeakPolarHBondContact O-CG 3.22Å; I320-Q324 PolarHBondContact O-N 3.41Å; I320-I401 HydrophobicContact CD1-CD1 3.62Å; I320-I401 HydrophobicContact CD1-CG1 3.68Å; I320-V438 HydrophobicContact CD1-CG2 4.15Å
321L96Very high92.7Very high27 Ų2721.6 Ų21.614%0.14112%0.124CC..Hα-helixtrans-59.5-46.6-179.6-176.361.3000111.8F146 F189 L311 L317 S318 T323 Q324 M325F146-L321 HydrophobicContact CB-CD1 4.11Å; F146-L321 HydrophobicContact CD1-CD1 4.36Å; F189-L321 HydrophobicContact CD1-CB 3.95Å; F189-L321 HydrophobicContact CD1-CD1 4.37Å; F189-L321 HydrophobicContact CE1-CB 4.19Å; L311-L321 HydrophobicContact CD1-CD2 4.09Å; L317-L321 VanDerWaalsContact O-CB 3.27Å; L317-L321 WeakPolarHBondContact O-CB 3.26Å; L317-L321 PolarHBondContact O-N 2.99Å; S318-L321 PolarHBondContact O-N 3.29Å; L321-T323 VanDerWaalsContact C-N 3.29Å; L321-T323 PolarHBondContact O-N 2.97Å; L321-Q324 WeakPolarHBondContact O-CB 3.24Å; L321-Q324 PolarHBondContact O-N 3.18Å; L321-Q324 VanDerWaalsContact O-N 3.11Å; L321-M325 HydrophobicContact CD1-SD 4.48Å; L321-M325 HydrophobicContact CG-SD 4.14Å; L321-M325 VanDerWaalsContact O-CG 3.29Å; L321-M325 WeakPolarHBondContact O-CG 3.39Å; L321-M325 PolarHBondContact O-N 3.17Å
322Q95.1Very high93.3Very high21 Ų2122.4 Ų22.410%0.09813%0.127CC..Hα-helixtrans-59.4-40.4176.2-70.3-57.7-28.800112.1V283 T284 D285 R286 S318 R319 I320 M325V283-Q322 HydrophobicContact CG1-CG 4.13Å; T284-Q322 PolarHBondContact O-OE1 3.47Å; D285-Q322 PolarHBondContact OD1-NE2 2.96Å; R286-Q322 PolarHBondContact O-NE2 3.34Å; R286-Q322 PolarHBondContact O-OE1 2.79Å; S318-Q322 WeakPolarHBondContact O-CB 3.49Å; S318-Q322 VanDerWaalsContact O-CG 3.28Å; S318-Q322 WeakPolarHBondContact O-CG 3.22Å; S318-Q322 PolarHBondContact O-N 3.39Å; R319-Q322 PolarHBondContact O-N 3.16Å; I320-Q322 PolarHBondContact O-N 3.18Å; Q322-M325 PolarHBondContact O-N 3.2Å
323T96.7Very high93.9Very high4 Ų421 Ų213%0.02512%0.123CC..Hα-helixtrans-67.3-39175.1-52.40000112M67 L70 R319 I320 L321 M325 L326 I392 A396M67-T323 HydrophobicContact CE-CG2 4.21Å; L70-T323 HydrophobicContact CB-CG2 4.49Å; L70-T323 HydrophobicContact CD1-CG2 4.01Å; R319-T323 WeakPolarHBondContact O-CB 3.36Å; R319-T323 PolarHBondContact O-N 2.87Å; R319-T323 PolarHBondContact O-OG1 2.95Å; I320-T323 WeakPolarHBondContact O-CB 3.39Å; I320-T323 PolarHBondContact O-N 3.41Å; I320-T323 VanDerWaalsContact O-N 3.17Å; L321-T323 VanDerWaalsContact C-N 3.29Å; L321-T323 PolarHBondContact O-N 2.97Å; T323-M325 PolarHBondContact O-N 3.38Å; T323-L326 HydrophobicContact CG2-CD1 4.17Å; T323-L326 WeakPolarHBondContact O-CB 3.43Å; T323-L326 WeakPolarHBondContact O-CG 3.36Å; T323-L326 PolarHBondContact O-N 2.79Å; T323-I392 HydrophobicContact CG2-CG2 3.79Å; T323-A396 HydrophobicContact CG2-CB 3.61Å
324Q97.7Very high94.9Very high0 Ų015.9 Ų15.90%09%0.091CC..Hα-helixtrans-63.2-32.1175.4-68.9177.7-0.400112K143 F146 I320 L321 L326 D327 A393 A396 K397K143-Q324 PolarHBondContact O-NE2 3.32Å; F146-Q324 HydrophobicContact CD1-CB 4.22Å; F146-Q324 HydrophobicContact CE1-CB 3.93Å; F146-Q324 VanDerWaalsContact CE1-O 3.3Å; F146-Q324 WeakPolarHBondContact CE1-O 3.33Å; I320-Q324 HydrophobicContact CG2-CG 4.19Å; I320-Q324 VanDerWaalsContact O-CG 3.26Å; I320-Q324 WeakPolarHBondContact O-CG 3.22Å; I320-Q324 PolarHBondContact O-N 3.41Å; L321-Q324 WeakPolarHBondContact O-CB 3.24Å; L321-Q324 PolarHBondContact O-N 3.18Å; L321-Q324 VanDerWaalsContact O-N 3.11Å; Q324-L326 PolarHBondContact O-N 3.02Å; Q324-D327 PolarHBondContact O-N 3.17Å; Q324-A393 WeakPolarHBondContact O-CB 3.17Å; Q324-A396 HydrophobicContact CG-CB 3.8Å; Q324-A396 PolarHBondContact NE2-O 3.34Å; Q324-K397 HydrophobicContact CB-CG 4.17Å; Q324-K397 HydrophobicContact CG-CG 3.79Å
325M95.6Very high95.9Very high22 Ų2217.2 Ų17.211%0.1089%0.093CC..THydrogen-bonded Turntrans-77.82.7179.1-6917462.400114.2F146 R286 L321 Q322 T323 D327F146-M325 HydrophobicContact CD1-CG 3.87Å; F146-M325 HydrophobicContact CD2-CG 4.35Å; F146-M325 HydrophobicContact CE1-CG 4.12Å; F146-M325 HydrophobicContact CG-CG 4.02Å; F146-M325 HydrophobicContact CZ-CG 4.47Å; R286-M325 HydrophobicContact CB-CE 3.83Å; R286-M325 WeakPolarHBondContact O-CE 3.5Å; L321-M325 HydrophobicContact CD1-SD 4.48Å; L321-M325 HydrophobicContact CG-SD 4.14Å; L321-M325 VanDerWaalsContact O-CG 3.29Å; L321-M325 WeakPolarHBondContact O-CG 3.39Å; L321-M325 PolarHBondContact O-N 3.17Å; Q322-M325 PolarHBondContact O-N 3.2Å; T323-M325 PolarHBondContact O-N 3.38Å; M325-D327 PolarHBondContact O-N 2.84Å
326L95.9Very high96.3Very high13 Ų1321 Ų217%0.06812%0.118CC..THydrogen-bonded Turntrans-62.1-25.1161.2-68.1169.5000111.3L70 T323 Q324 S328 Q389 I392 A393L70-L326 HydrophobicContact CD1-CD1 4.32Å; T323-L326 HydrophobicContact CG2-CD1 4.17Å; T323-L326 WeakPolarHBondContact O-CB 3.43Å; T323-L326 WeakPolarHBondContact O-CG 3.36Å; T323-L326 PolarHBondContact O-N 2.79Å; Q324-L326 PolarHBondContact O-N 3.02Å; L326-S328 PolarHBondContact O-N 3.26Å; L326-Q389 HydrophobicContact CB-CB 4.14Å; L326-Q389 WeakPolarHBondContact CB-O 3.29Å; L326-Q389 HydrophobicContact CD2-CG 4.28Å; L326-I392 HydrophobicContact CD1-CB 4.08Å; L326-I392 HydrophobicContact CD1-CG2 3.56Å; L326-A393 HydrophobicContact CB-CB 4.1Å
327D96.2Very high96.6Very high12 Ų1221.3 Ų21.36%0.06412%0.12CC..  trans-74.478.6165.6-178.916.6000110.6F146 Q324 M325 D330 Y390 A393 K397F146-D327 HydrophobicContact CZ-CB 4.35Å; Q324-D327 PolarHBondContact O-N 3.17Å; M325-D327 PolarHBondContact O-N 2.84Å; D327-D330 VanDerWaalsContact OD1-CA 3.27Å; D327-D330 WeakPolarHBondContact OD1-CA 3.29Å; D327-D330 PolarHBondContact OD1-N 3.06Å; D327-Y390 HydrophobicContact CB-CD2 4.12Å; D327-A393 HydrophobicContact CB-CB 3.65Å; D327-K397 IonicContact OD2-NZ 3.92Å; D327-K397 PolarHBondContact OD2-NZ 3.09Å
328S93.7Very high96.7Very high43 Ų4322.1 Ų22.130%0.30112%0.123SC..  trans-85.1-22.3-177.949.40000113.7H152 L326H152-S328 PolarHBondContact CD2-O 2.94Å; L326-S328 PolarHBondContact O-N 3.26Å
329L95.5Very high96.9Very high23 Ų2323.8 Ų23.812%0.1213%0.134CC..SBendtrans-104.4-4-172.5-58.1178.7000113.4H152 G333 L337 K386H152-L329 WeakPolarHBondContact CB-O 3.43Å; L329-G333 VanDerWaalsContact O-CA 3.26Å; L329-G333 WeakPolarHBondContact O-CA 3.5Å; L329-G333 PolarHBondContact O-N 3.43Å; L329-G333 VanDerWaalsContact O-N 3.16Å; L329-L337 HydrophobicContact CD1-CD1 3.57Å; L329-K386 HydrophobicContact CD1-CB 4.42Å; L329-K386 HydrophobicContact CD1-CD 4.29Å; L329-K386 HydrophobicContact CD1-CG 4.23Å
330D97.3Very high97.1Very high16 Ų1626.7 Ų26.79%0.08615%0.145CC..Hα-helixtrans56.7166.3-163.9-178.487.1000112P148 V153 K158 D327 E332 G333 L334P148-D330 HydrophobicContact CB-CB 4.03Å; V153-D330 HydrophobicContact CG1-CB 3.81Å; K158-D330 WeakPolarHBondContact CE-OD1 3.47Å; K158-D330 VanDerWaalsContact NZ-CG 3.3Å; K158-D330 IonicContact NZ-OD1 2.81Å; K158-D330 PolarHBondContact NZ-OD1 2.79Å; K158-D330 IonicContact NZ-OD2 2.65Å; K158-D330 PolarHBondContact NZ-OD2 2.96Å; D327-D330 VanDerWaalsContact OD1-CA 3.27Å; D327-D330 WeakPolarHBondContact OD1-CA 3.29Å; D327-D330 PolarHBondContact OD1-N 3.06Å; D330-E332 PolarHBondContact O-N 2.96Å; D330-E332 PolarHBondContact OD2-N 3.39Å; D330-G333 PolarHBondContact O-N 3.03Å; D330-L334 VanDerWaalsContact O-CB 3.22Å; D330-L334 WeakPolarHBondContact O-CB 3.47Å; D330-L334 PolarHBondContact O-N 3.3Å
331I98.2Very high97.1Very high3 Ų326.7 Ų26.72%0.01515%0.145CC..Hα-helixtrans-62.8-29.4177.3-172.350.4000112.4L334 Y335 Y390 V449 Q452 L453 D456I331-L334 HydrophobicContact CD1-CD2 4.28Å; I331-Y335 WeakPolarHBondContact O-CB 3.3Å; I331-Y335 PolarHBondContact O-N 3.32Å; I331-Y335 VanDerWaalsContact O-N 3.1Å; I331-Y390 HydrophobicContact CB-CE2 4.35Å; I331-Y390 HydrophobicContact CD1-CE1 4.13Å; I331-Y390 HydrophobicContact CD1-CE2 4.29Å; I331-Y390 WeakPolarHBondContact CD1-OH 3.28Å; I331-V449 HydrophobicContact CD1-CG1 3.84Å; I331-Q452 HydrophobicContact CD1-CB 4.42Å; I331-Q452 HydrophobicContact CG1-CB 4.4Å; I331-L453 HydrophobicContact CD1-CB 4.4Å; I331-L453 HydrophobicContact CG1-CB 3.84Å; I331-L453 HydrophobicContact CG1-CD1 4.12Å; I331-L453 HydrophobicContact CG2-CD1 4.31Å; I331-D456 HydrophobicContact CG2-CB 3.84Å
332E97.9Very high97.2Very high45 Ų4528.4 Ų28.421%0.2115%0.152CC..Hα-helixtrans-69.2-46.5177.9-71-179.3-129.100112H152 S154 K158 D330 P336 L453H152-E332 WeakPolarHBondContact O-CB 3.49Å; S154-E332 WeakPolarHBondContact CB-OE2 3.27Å; S154-E332 PolarHBondContact N-OE2 3.37Å; S154-E332 PolarHBondContact OG-OE2 3.47Å; K158-E332 VanDerWaalsContact CD-OE1 3.28Å; K158-E332 WeakPolarHBondContact CD-OE1 3.32Å; K158-E332 IonicContact NZ-OE1 2.83Å; K158-E332 PolarHBondContact NZ-OE1 3.16Å; D330-E332 PolarHBondContact O-N 2.96Å; D330-E332 PolarHBondContact OD2-N 3.39Å; E332-P336 WeakPolarHBondContact O-CD 3.22Å; E332-L453 HydrophobicContact CG-CD1 4.34Å
333G96.9Very high97.4Very high23 Ų2332 Ų3224%0.23717%0.169CC..Hα-helixtrans-73.4-27.4176.600000113.5L329 D330L329-G333 VanDerWaalsContact O-CA 3.26Å; L329-G333 WeakPolarHBondContact O-CA 3.5Å; L329-G333 PolarHBondContact O-N 3.43Å; L329-G333 VanDerWaalsContact O-N 3.16Å; D330-G333 PolarHBondContact O-N 3.03Å
334L98.1Very high97.4Very high3 Ų333.8 Ų33.82%0.01618%0.177CC..Hα-helixtrans-74.2-36.1176.5-173.582.6000113.2D330 I331 P336 L337 Y338 K386 V387 Y390 V449D330-L334 VanDerWaalsContact O-CB 3.22Å; D330-L334 WeakPolarHBondContact O-CB 3.47Å; D330-L334 PolarHBondContact O-N 3.3Å; I331-L334 HydrophobicContact CD1-CD2 4.28Å; L334-P336 VanDerWaalsContact C-CD 3.48Å; L334-L337 WeakPolarHBondContact O-CA 3.46Å; L334-L337 WeakPolarHBondContact O-CB 3.39Å; L334-L337 PolarHBondContact O-N 3.14Å; L334-Y338 PolarHBondContact O-N 3Å; L334-K386 HydrophobicContact CD1-CB 4.11Å; L334-K386 WeakPolarHBondContact CD1-O 3.44Å; L334-V387 HydrophobicContact CD1-CG2 4.35Å; L334-Y390 HydrophobicContact CD1-CG 4.47Å; L334-Y390 VanDerWaalsContact CD2-CB 3.43Å; L334-Y390 HydrophobicContact CD2-CD1 3.3Å; L334-Y390 HydrophobicContact CD2-CD2 3.62Å; L334-Y390 HydrophobicContact CD2-CE1 3.87Å; L334-Y390 HydrophobicContact CD2-CE2 4.16Å; L334-Y390 HydrophobicContact CD2-CG 3.16Å; L334-Y390 HydrophobicContact CG-CG 4.35Å; L334-V449 HydrophobicContact CD2-CG1 4.43Å
335Y98.4Very high97.4Very high73 Ų7334.6 Ų34.629%0.28618%0.181SC..Hα-helixtrans-56.1-39.5-168.5-170.6-111.2000114.6I331 L337 Y338 C339 V449 P450 L453I331-Y335 WeakPolarHBondContact O-CB 3.3Å; I331-Y335 PolarHBondContact O-N 3.32Å; I331-Y335 VanDerWaalsContact O-N 3.1Å; Y335-L337 VanDerWaalsContact C-N 3.31Å; Y335-L337 PolarHBondContact O-N 3.17Å; Y335-Y338 AromaticContact CD2-CD1 3.91Å; Y335-Y338 HydrophobicContact CD2-CD1 3.91Å; Y335-Y338 AromaticContact CE2-CD1 3.7Å; Y335-Y338 HydrophobicContact CE2-CD1 3.7Å; Y335-Y338 HydrophobicContact CE2-CE1 4.02Å; Y335-Y338 WeakPolarHBondContact O-CB 3.42Å; Y335-Y338 PolarHBondContact O-N 2.89Å; Y335-C339 PolarHBondContact O-N 3.45Å; Y335-C339 PolarHBondContact O-SG 3.44Å; Y335-V449 HydrophobicContact CD2-CG1 4.17Å; Y335-P450 HydrophobicContact CE2-CB 4.39Å; Y335-P450 HydrophobicContact CE2-CG 4.38Å; Y335-L453 HydrophobicContact CD1-CD2 3.57Å; Y335-L453 HydrophobicContact CD2-CB 4.41Å; Y335-L453 HydrophobicContact CD2-CD2 3.67Å; Y335-L453 HydrophobicContact CE1-CD2 3.75Å; Y335-L453 HydrophobicContact CE2-CD2 3.88Å; Y335-L453 HydrophobicContact CG-CD2 3.52Å
336P98.3Very high97.5Very high80 Ų8040.4 Ų40.452%0.51921%0.208SC..Hα-helixtrans-58.9-38172.4-25.535.7000113.8E332 L334 C339 R340E332-P336 WeakPolarHBondContact O-CD 3.22Å; L334-P336 VanDerWaalsContact C-CD 3.48Å; P336-C339 PolarHBondContact O-N 3.41Å; P336-R340 PolarHBondContact O-N 3.1Å
337L98.3Very high97.6Very high8 Ų844.2 Ų44.24%0.04223%0.228CC..Hα-helixtrans-67.9-39.4176-58.3-178.8000111.2L329 L334 Y335 C339 R340 V341 Y382 A383 K386L329-L337 HydrophobicContact CD1-CD1 3.57Å; L334-L337 WeakPolarHBondContact O-CA 3.46Å; L334-L337 WeakPolarHBondContact O-CB 3.39Å; L334-L337 PolarHBondContact O-N 3.14Å; Y335-L337 VanDerWaalsContact C-N 3.31Å; Y335-L337 PolarHBondContact O-N 3.17Å; L337-C339 VanDerWaalsContact C-N 3.35Å; L337-C339 PolarHBondContact O-N 2.68Å; L337-R340 WeakPolarHBondContact O-CB 3.33Å; L337-R340 PolarHBondContact O-N 3.06Å; L337-V341 WeakPolarHBondContact O-CG2 3.38Å; L337-V341 PolarHBondContact O-N 3.48Å; L337-Y382 HydrophobicContact CD1-CD1 4.45Å; L337-Y382 HydrophobicContact CD1-CE1 3.86Å; L337-Y382 HydrophobicContact CD2-CD1 4.32Å; L337-Y382 HydrophobicContact CD2-CE1 4.15Å; L337-A383 HydrophobicContact CB-CB 3.96Å; L337-A383 HydrophobicContact CD2-CB 4.17Å; L337-K386 HydrophobicContact CD1-CB 3.64Å; L337-K386 HydrophobicContact CD1-CG 3.77Å
338Y98.5Very high97.6Very high16 Ų1649.1 Ų49.16%0.06325%0.25CC..Hα-helixtrans-58.5-46171.7164.8-96.1000111.7L334 Y335 R340 V341 E342 L446 V449 P450L334-Y338 PolarHBondContact O-N 3Å; Y335-Y338 AromaticContact CD2-CD1 3.91Å; Y335-Y338 HydrophobicContact CD2-CD1 3.91Å; Y335-Y338 AromaticContact CE2-CD1 3.7Å; Y335-Y338 HydrophobicContact CE2-CD1 3.7Å; Y335-Y338 HydrophobicContact CE2-CE1 4.02Å; Y335-Y338 WeakPolarHBondContact O-CB 3.42Å; Y335-Y338 PolarHBondContact O-N 2.89Å; Y338-R340 VanDerWaalsContact C-N 3.3Å; Y338-R340 PolarHBondContact O-N 3.34Å; Y338-V341 PolarHBondContact O-N 3.25Å; Y338-E342 HydrophobicContact CD1-CG 4.28Å; Y338-E342 HydrophobicContact CD2-CG 4.11Å; Y338-E342 HydrophobicContact CE1-CG 3.71Å; Y338-E342 HydrophobicContact CE2-CG 3.5Å; Y338-E342 HydrophobicContact CG-CG 4.46Å; Y338-E342 WeakPolarHBondContact O-CG 3.38Å; Y338-E342 PolarHBondContact O-N 3Å; Y338-E342 VanDerWaalsContact OH-CD 3.32Å; Y338-E342 WeakPolarHBondContact OH-CG 3.24Å; Y338-E342 PolarHBondContact OH-OE2 2.87Å; Y338-L446 HydrophobicContact CD2-CD1 3.71Å; Y338-L446 HydrophobicContact CD2-CG 4.4Å; Y338-L446 HydrophobicContact CE2-CD1 3.71Å; Y338-L446 HydrophobicContact CE2-CG 3.9Å; Y338-V449 HydrophobicContact CD1-CG1 4.05Å; Y338-V449 HydrophobicContact CD2-CB 3.81Å; Y338-V449 HydrophobicContact CD2-CG1 3.85Å; Y338-V449 HydrophobicContact CD2-CG2 4.16Å; Y338-V449 HydrophobicContact CE2-CB 4.06Å; Y338-V449 HydrophobicContact CE2-CG1 4.47Å; Y338-V449 HydrophobicContact CG-CB 4.09Å; Y338-V449 HydrophobicContact CG-CG1 3.61Å; Y338-P450 HydrophobicContact CD1-CG 4.48Å; Y338-P450 HydrophobicContact CE1-CG 3.51Å; Y338-P450 VanDerWaalsContact OH-CG 3.29Å; Y338-P450 WeakPolarHBondContact OH-CG 3.42Å
339C98.5Very high97.8Very high53 Ų5351.3 Ų51.336%0.35826%0.263SS..Hα-helixtrans-60.8-38.2176.4-690000112.4Y335 P336 L337 E342 Q343Y335-C339 PolarHBondContact O-N 3.45Å; Y335-C339 PolarHBondContact O-SG 3.44Å; P336-C339 PolarHBondContact O-N 3.41Å; L337-C339 VanDerWaalsContact C-N 3.35Å; L337-C339 PolarHBondContact O-N 2.68Å; C339-E342 PolarHBondContact O-N 3.33Å; C339-Q343 WeakPolarHBondContact O-CB 3.47Å; C339-Q343 PolarHBondContact O-N 2.94Å
340R98.5Very high97.7Very high76 Ų7659.2 Ų59.229%0.28730%0.296SS..Hα-helixtrans-60-45.4174.4-168.6-171.7-58.9162.21.5111.5P336 L337 Y338 H344 D376 G378 S379 A383P336-R340 PolarHBondContact O-N 3.1Å; L337-R340 WeakPolarHBondContact O-CB 3.33Å; L337-R340 PolarHBondContact O-N 3.06Å; Y338-R340 VanDerWaalsContact C-N 3.3Å; Y338-R340 PolarHBondContact O-N 3.34Å; R340-H344 WeakPolarHBondContact O-CB 3.44Å; R340-H344 PolarHBondContact O-N 3.24Å; R340-D376 IonicContact CZ-OD1 2.81Å; R340-D376 IonicContact CZ-OD2 3.91Å; R340-D376 IonicContact NH1-OD1 3.04Å; R340-D376 PolarHBondContact NH1-OD1 3Å; R340-D376 IonicContact NH1-OD2 3.53Å; R340-D376 PolarHBondContact NH1-OD2 2.73Å; R340-D376 IonicContact NH2-OD1 3.34Å; R340-D376 IonicContact NH2-OD2 3.85Å; R340-D376 PolarHBondContact NH2-OD2 3.21Å; R340-G378 VanDerWaalsContact NH1-C 3.33Å; R340-G378 PolarHBondContact NH1-O 3.29Å; R340-S379 PolarHBondContact NH1-O 3.3Å; R340-A383 HydrophobicContact CB-CB 4.34Å
341V98.3Very high97.7Very high0 Ų061.6 Ų61.60%031%0.309CS..Hα-helixtrans-64.5-47.2177.31750000111.1L337 Y338 Q343 H344 L345 I357 V380 A383 A384 V387L337-V341 WeakPolarHBondContact O-CG2 3.38Å; L337-V341 PolarHBondContact O-N 3.48Å; Y338-V341 PolarHBondContact O-N 3.25Å; V341-Q343 PolarHBondContact O-N 3.4Å; V341-H344 PolarHBondContact O-N 2.87Å; V341-L345 HydrophobicContact CG1-CD1 3.83Å; V341-L345 HydrophobicContact CG1-CG 4.26Å; V341-L345 WeakPolarHBondContact O-CB 3.36Å; V341-L345 VanDerWaalsContact O-CG 3.27Å; V341-L345 WeakPolarHBondContact O-CG 3.3Å; V341-L345 PolarHBondContact O-N 3.23Å; V341-I357 HydrophobicContact CG1-CD1 4.11Å; V341-V380 HydrophobicContact CG2-CG2 4.39Å; V341-A383 HydrophobicContact CG2-CB 3.76Å; V341-A384 HydrophobicContact CG2-CB 4.14Å; V341-V387 HydrophobicContact CG2-CG2 4.44Å
342E97.9Very high97.5Very high62 Ų6265 Ų6529%0.2932%0.322SS..Hα-helixtrans-60.8-44.3179-73-72.7112.100112.2Y338 C339 H344 L345 Q346 L446Y338-E342 HydrophobicContact CD1-CG 4.28Å; Y338-E342 HydrophobicContact CD2-CG 4.11Å; Y338-E342 HydrophobicContact CE1-CG 3.71Å; Y338-E342 HydrophobicContact CE2-CG 3.5Å; Y338-E342 HydrophobicContact CG-CG 4.46Å; Y338-E342 WeakPolarHBondContact O-CG 3.38Å; Y338-E342 PolarHBondContact O-N 3Å; Y338-E342 VanDerWaalsContact OH-CD 3.32Å; Y338-E342 WeakPolarHBondContact OH-CG 3.24Å; Y338-E342 PolarHBondContact OH-OE2 2.87Å; C339-E342 PolarHBondContact O-N 3.33Å; E342-H344 PolarHBondContact O-N 3.44Å; E342-L345 PolarHBondContact O-N 2.9Å; E342-Q346 WeakPolarHBondContact O-CB 3.44Å; E342-Q346 PolarHBondContact O-N 3.47Å; E342-L446 VanDerWaalsContact OE1-CD2 3.25Å; E342-L446 WeakPolarHBondContact OE1-CD2 3.48Å
343Q97.9Very high97.3Very high98 Ų9868 Ų6846%0.45834%0.343SS..Hα-helixtrans-60.6-47177-176.260.548.700110.9C339 V341 L345 Q346 D347C339-Q343 WeakPolarHBondContact O-CB 3.47Å; C339-Q343 PolarHBondContact O-N 2.94Å; V341-Q343 PolarHBondContact O-N 3.4Å; Q343-L345 VanDerWaalsContact C-N 3.32Å; Q343-L345 PolarHBondContact O-N 3.33Å; Q343-Q346 WeakPolarHBondContact O-CB 3.23Å; Q343-Q346 PolarHBondContact O-N 3.24Å; Q343-D347 PolarHBondContact NE2-OD1 3.22Å; Q343-D347 PolarHBondContact NE2-OD2 3.18Å; Q343-D347 PolarHBondContact O-N 3.03Å; Q343-D347 VanDerWaalsContact O-N 3.07Å
344H98.1Very high97.2Very high41 Ų4169.5 Ų69.519%0.1936%0.358CS..Hα-helixtrans-58.9-43.4176.1-175.992.2000112R340 V341 E342 Q346 D347 F348 D351 V380R340-H344 WeakPolarHBondContact O-CB 3.44Å; R340-H344 PolarHBondContact O-N 3.24Å; V341-H344 PolarHBondContact O-N 2.87Å; E342-H344 PolarHBondContact O-N 3.44Å; H344-Q346 VanDerWaalsContact C-N 3.3Å; H344-Q346 PolarHBondContact O-N 2.8Å; H344-D347 PolarHBondContact O-N 3.24Å; H344-F348 AromaticContact CE1-CD2 3.56Å; H344-F348 AromaticContact ND1-CD2 3.82Å; H344-F348 AromaticContact NE2-CD2 3.86Å; H344-F348 WeakPolarHBondContact O-CA 3.3Å; H344-F348 WeakPolarHBondContact O-CB 3.19Å; H344-F348 PolarHBondContact O-N 3.02Å; H344-D351 IonicContact CD2-OD2 2.76Å; H344-D351 IonicContact CE1-OD2 2.62Å; H344-D351 IonicContact NE2-OD2 3.83Å; H344-D351 PolarHBondContact NE2-OD2 2.88Å; H344-V380 HydrophobicContact CB-CB 4.49Å; H344-V380 HydrophobicContact CB-CG2 3.7Å
345L97.6Very high97Very high16 Ų1670.4 Ų70.48%0.08436%0.363CS..Hα-helixtrans-70.8-26.1179.6-68177.4000113V341 E342 Q343 F348 P349 R352 L355 I357 L446V341-L345 HydrophobicContact CG1-CD1 3.83Å; V341-L345 HydrophobicContact CG1-CG 4.26Å; V341-L345 WeakPolarHBondContact O-CB 3.36Å; V341-L345 VanDerWaalsContact O-CG 3.27Å; V341-L345 WeakPolarHBondContact O-CG 3.3Å; V341-L345 PolarHBondContact O-N 3.23Å; E342-L345 PolarHBondContact O-N 2.9Å; Q343-L345 VanDerWaalsContact C-N 3.32Å; Q343-L345 PolarHBondContact O-N 3.33Å; L345-F348 CarbonylContact O-C 3.52Å; L345-P349 WeakPolarHBondContact O-CA 3.46Å; L345-P349 WeakPolarHBondContact O-CG 3.42Å; L345-R352 HydrophobicContact CD2-CB 3.91Å; L345-R352 HydrophobicContact CD2-CG 4.49Å; L345-L355 HydrophobicContact CD2-CD1 4.12Å; L345-I357 HydrophobicContact CD1-CD1 4.37Å; L345-I357 HydrophobicContact CD1-CG1 4.03Å; L345-L446 HydrophobicContact CD1-CD2 4.25Å
346Q97.2Very high96.9Very high144 Ų14467.5 Ų67.567%0.67335%0.352SS*.Hα-helixtrans-68.6-42.6171.5-176.2175.2-4.700110.9E342 Q343 H344E342-Q346 WeakPolarHBondContact O-CB 3.44Å; E342-Q346 PolarHBondContact O-N 3.47Å; Q343-Q346 WeakPolarHBondContact O-CB 3.23Å; Q343-Q346 PolarHBondContact O-N 3.24Å; H344-Q346 VanDerWaalsContact C-N 3.3Å; H344-Q346 PolarHBondContact O-N 2.8Å
347D97.8Very high96.7Very high93 Ų9363.8 Ų63.850%0.49733%0.328SS..Hα-helixtrans-77.4-34.4-179.6-61.9-30.3000111.9Q343 H344Q343-D347 PolarHBondContact NE2-OD1 3.22Å; Q343-D347 PolarHBondContact NE2-OD2 3.18Å; Q343-D347 PolarHBondContact O-N 3.03Å; Q343-D347 VanDerWaalsContact O-N 3.07Å; H344-D347 PolarHBondContact O-N 3.24Å
348F97.4Very high96.5Very high116 Ų11666.6 Ų66.651%0.50934%0.343SS..  trans-130.471.6-178-53.4-78.7000112.7H344 L345 K350 D351H344-F348 AromaticContact CE1-CD2 3.56Å; H344-F348 AromaticContact ND1-CD2 3.82Å; H344-F348 AromaticContact NE2-CD2 3.86Å; H344-F348 WeakPolarHBondContact O-CA 3.3Å; H344-F348 WeakPolarHBondContact O-CB 3.19Å; H344-F348 PolarHBondContact O-N 3.02Å; L345-F348 CarbonylContact O-C 3.52Å; F348-K350 PolarHBondContact O-N 3.4Å; F348-D351 HydrophobicContact CB-CB 4.36Å; F348-D351 WeakPolarHBondContact CB-OD2 3.27Å; F348-D351 WeakPolarHBondContact O-CB 3.13Å; F348-D351 PolarHBondContact O-N 3.28Å
349P96.3Very high96.1Very high89 Ų8966.3 Ų66.358%0.57835%0.345SS*.THydrogen-bonded Turntrans-59.3-26.5-175.1-26.334.5000115.3L345 D351 R352L345-P349 WeakPolarHBondContact O-CA 3.46Å; L345-P349 WeakPolarHBondContact O-CG 3.42Å; P349-D351 PolarHBondContact O-N 2.85Å; P349-R352 WeakPolarHBondContact O-CB 3.46Å; P349-R352 PolarHBondContact O-N 3.17Å
350K94.8Very high95.9Very high189 Ų18967 Ų6782%0.82235%0.348SS*.THydrogen-bonded Turntrans-67.9-23.3179.1-66.8-177.5180177.20112.7F348 R352F348-K350 PolarHBondContact O-N 3.4Å; K350-R352 PolarHBondContact O-N 2.9Å
351D96.1Very high95.8Very high65 Ų6563.8 Ų63.835%0.34834%0.337SS..Hα-helixtrans-75.8-9.9-178.2-68.1-2.7000112.6H344 F348 P349 T353 G354 L355H344-D351 IonicContact CD2-OD2 2.76Å; H344-D351 IonicContact CE1-OD2 2.62Å; H344-D351 IonicContact NE2-OD2 3.83Å; H344-D351 PolarHBondContact NE2-OD2 2.88Å; F348-D351 HydrophobicContact CB-CB 4.36Å; F348-D351 WeakPolarHBondContact CB-OD2 3.27Å; F348-D351 WeakPolarHBondContact O-CB 3.13Å; F348-D351 PolarHBondContact O-N 3.28Å; P349-D351 PolarHBondContact O-N 2.85Å; D351-T353 PolarHBondContact O-N 2.9Å; D351-G354 PolarHBondContact O-N 3.2Å; D351-L355 WeakPolarHBondContact O-CB 3.5Å; D351-L355 PolarHBondContact O-N 2.82Å
352R95.5Very high95.6Very high76 Ų7666.5 Ų66.529%0.28735%0.351SS..Hα-helixtrans-52.7-40.6174.5-169.3177.1-176.386.12.6112.4L345 P349 K350 Q356 I357 D358L345-R352 HydrophobicContact CD2-CB 3.91Å; L345-R352 HydrophobicContact CD2-CG 4.49Å; P349-R352 WeakPolarHBondContact O-CB 3.46Å; P349-R352 PolarHBondContact O-N 3.17Å; K350-R352 PolarHBondContact O-N 2.9Å; R352-Q356 PolarHBondContact O-N 2.91Å; R352-I357 HydrophobicContact CG-CB 3.85Å; R352-I357 HydrophobicContact CG-CG1 4.01Å; R352-I357 HydrophobicContact CG-CG2 4.42Å; R352-I357 PolarHBondContact O-N 3.35Å; R352-I357 VanDerWaalsContact O-N 3.12Å; R352-D358 IonicContact CZ-OD2 2.83Å; R352-D358 IonicContact NE-OD2 3.16Å; R352-D358 PolarHBondContact NE-OD2 3.35Å; R352-D358 VanDerWaalsContact NH2-CG 3.29Å; R352-D358 IonicContact NH2-OD1 3.33Å; R352-D358 PolarHBondContact NH2-OD1 2.81Å; R352-D358 VanDerWaalsContact NH2-OD1 3.11Å; R352-D358 IonicContact NH2-OD2 3.57Å; R352-D358 PolarHBondContact NH2-OD2 2.77Å
353T93.7Very high95.3Very high108 Ų10868.4 Ų68.466%0.66336%0.36SS*.Hα-helixtrans-74.2-40.1176.3-51.60000111.4D351 L355 Q356D351-T353 PolarHBondContact O-N 2.9Å; T353-L355 VanDerWaalsContact C-N 3.35Å; T353-L355 PolarHBondContact O-N 2.81Å; T353-Q356 PolarHBondContact O-N 2.84Å
354G93.3Very high95.1Very high54 Ų5467.6 Ų67.656%0.55736%0.359SS*.Hα-helixtrans-63.3-38.2178.700000113.4D351 Q356D351-G354 PolarHBondContact O-N 3.2Å; G354-Q356 PolarHBondContact O-N 3.47Å
355L95.2Very high95Very high21 Ų2165.9 Ų65.911%0.1135%0.351CS..THydrogen-bonded Turntrans-79.9-0.8174.1-65175.5000113.4L345 D351 T353 I357 V380 A384 H388L345-L355 HydrophobicContact CD2-CD1 4.12Å; D351-L355 WeakPolarHBondContact O-CB 3.5Å; D351-L355 PolarHBondContact O-N 2.82Å; T353-L355 VanDerWaalsContact C-N 3.35Å; T353-L355 PolarHBondContact O-N 2.81Å; L355-I357 VanDerWaalsContact C-N 3.26Å; L355-I357 HydrophobicContact CB-CD1 3.85Å; L355-I357 HydrophobicContact CB-CG1 3.97Å; L355-I357 PolarHBondContact O-N 2.98Å; L355-V380 HydrophobicContact CD1-CG2 4.01Å; L355-A384 HydrophobicContact CD2-CB 4.15Å; L355-H388 PolarHBondContact O-NE2 2.94Å
356Q95.6Very high94.8Very high13 Ų1365.2 Ų65.26%0.06135%0.347CS..THydrogen-bonded Turntrans50.943.1-179.5-62.5173.3-75.100112.5R352 T353 G354 D358 G359 P360 D362 F365 H388R352-Q356 PolarHBondContact O-N 2.91Å; T353-Q356 PolarHBondContact O-N 2.84Å; G354-Q356 PolarHBondContact O-N 3.47Å; Q356-D358 VanDerWaalsContact C-N 3.34Å; Q356-D358 PolarHBondContact O-N 3.18Å; Q356-G359 PolarHBondContact O-N 3.34Å; Q356-P360 PolarHBondContact NE2-O 2.94Å; Q356-D362 PolarHBondContact NE2-OD1 3.47Å; Q356-F365 HydrophobicContact CB-CD2 4.14Å; Q356-H388 PolarHBondContact O-CE1 3.07Å; Q356-H388 VanDerWaalsContact O-CE1 3.3Å
357I95.3Very high94.5Very high1 Ų161.7 Ų61.71%0.00533%0.331CS..THydrogen-bonded Turntrans-59.6-44.6-174.9-62-59.9000111.7V341 L345 R352 L355 R391 L446V341-I357 HydrophobicContact CG1-CD1 4.11Å; L345-I357 HydrophobicContact CD1-CD1 4.37Å; L345-I357 HydrophobicContact CD1-CG1 4.03Å; R352-I357 HydrophobicContact CG-CB 3.85Å; R352-I357 HydrophobicContact CG-CG1 4.01Å; R352-I357 HydrophobicContact CG-CG2 4.42Å; R352-I357 PolarHBondContact O-N 3.35Å; R352-I357 VanDerWaalsContact O-N 3.12Å; L355-I357 VanDerWaalsContact C-N 3.26Å; L355-I357 HydrophobicContact CB-CD1 3.85Å; L355-I357 HydrophobicContact CB-CG1 3.97Å; L355-I357 PolarHBondContact O-N 2.98Å; I357-R391 PolarHBondContact O-NH1 3.32Å; I357-R391 PolarHBondContact O-NH2 3.5Å; I357-L446 HydrophobicContact CG2-CB 4.15Å; I357-L446 HydrophobicContact CG2-CD2 3.53Å; I357-L446 HydrophobicContact CG2-CG 4.4Å
358D92.7Very high94.2Very high67 Ų6761.6 Ų61.636%0.35833%0.326SS..THydrogen-bonded Turntrans-109.316.3-178.8-58.4-49.7000113.1N58 R352 Q356N58-D358 PolarHBondContact ND2-O 3.45Å; N58-D358 VanDerWaalsContact ND2-O 3.08Å; R352-D358 IonicContact CZ-OD2 2.83Å; R352-D358 IonicContact NE-OD2 3.16Å; R352-D358 PolarHBondContact NE-OD2 3.35Å; R352-D358 VanDerWaalsContact NH2-CG 3.29Å; R352-D358 IonicContact NH2-OD1 3.33Å; R352-D358 PolarHBondContact NH2-OD1 2.81Å; R352-D358 VanDerWaalsContact NH2-OD1 3.11Å; R352-D358 IonicContact NH2-OD2 3.57Å; R352-D358 PolarHBondContact NH2-OD2 2.77Å; Q356-D358 VanDerWaalsContact C-N 3.34Å; Q356-D358 PolarHBondContact O-N 3.18Å
359G91.6Very high93.9Very high11 Ų1156.2 Ų56.211%0.11330%0.303CS..  trans102.5-172.6-170.900000113.1Q356Q356-G359 PolarHBondContact O-N 3.34Å
360P93.7Very high93.6Very high66 Ų6657.1 Ų57.143%0.42930%0.299SS..  cis-64145.10.528.4-35.4000112Q356 D362Q356-P360 PolarHBondContact NE2-O 2.94Å; P360-D362 VanDerWaalsContact C-N 3.31Å; P360-D362 PolarHBondContact O-N 2.84Å
361Y95.9Very high93.3Very high10 Ų1055.5 Ų55.54%0.03929%0.292CS..  trans-90.469.7178.7-56.6-71.8000109.6N58 F62 N65 F365 R391 P443N58-Y361 HydrophobicContact CB-CD2 4.3Å; N58-Y361 HydrophobicContact CB-CE2 4.01Å; N58-Y361 VanDerWaalsContact O-CD2 3.28Å; N58-Y361 WeakPolarHBondContact O-CD2 3.37Å; F62-Y361 HydrophobicContact CB-CD2 3.67Å; F62-Y361 HydrophobicContact CB-CE2 4.2Å; F62-Y361 HydrophobicContact CB-CG 3.87Å; F62-Y361 AromaticContact CD2-CD1 3.72Å; F62-Y361 HydrophobicContact CD2-CD1 3.72Å; F62-Y361 HydrophobicContact CD2-CD2 4.27Å; F62-Y361 HydrophobicContact CD2-CE1 4.04Å; F62-Y361 AromaticContact CD2-CG 3.83Å; F62-Y361 HydrophobicContact CD2-CG 3.83Å; F62-Y361 HydrophobicContact CE2-CD1 4.5Å; F62-Y361 HydrophobicContact CG-CD2 4.42Å; F62-Y361 HydrophobicContact CG-CG 4.35Å; N65-Y361 VanDerWaalsContact CB-O 3.3Å; N65-Y361 WeakPolarHBondContact CB-O 3.42Å; N65-Y361 PolarHBondContact ND2-O 2.71Å; Y361-F365 HydrophobicContact CD1-CD1 4.1Å; Y361-F365 HydrophobicContact CD1-CD2 4.26Å; Y361-F365 AromaticContact CD1-CE1 3.9Å; Y361-F365 HydrophobicContact CD1-CE1 3.9Å; Y361-F365 HydrophobicContact CD1-CE2 4.06Å; Y361-F365 HydrophobicContact CD1-CG 4.28Å; Y361-F365 AromaticContact CD1-CZ 3.88Å; Y361-F365 HydrophobicContact CD1-CZ 3.88Å; Y361-F365 HydrophobicContact CE1-CE2 4.26Å; Y361-F365 HydrophobicContact CE1-CZ 4.15Å; Y361-R391 PolarHBondContact OH-NH2 3.23Å; Y361-P443 HydrophobicContact CE2-CB 4.29Å; Y361-P443 HydrophobicContact CE2-CG 3.93Å
362D94.3Very high92.9Very high57 Ų5753.4 Ų53.431%0.30528%0.283SS..  trans-92.9-175.7-179.261.211.8000112.3Q356 P360 N364 F365 L366Q356-D362 PolarHBondContact NE2-OD1 3.47Å; P360-D362 VanDerWaalsContact C-N 3.31Å; P360-D362 PolarHBondContact O-N 2.84Å; D362-N364 VanDerWaalsContact C-N 3.27Å; D362-N364 PolarHBondContact O-N 3.25Å; D362-N364 WeakPolarHBondContact OD1-CB 3.47Å; D362-N364 PolarHBondContact OD1-N 2.78Å; D362-F365 WeakPolarHBondContact O-CB 3.11Å; D362-F365 PolarHBondContact O-N 3.05Å; D362-F365 PolarHBondContact OD1-N 2.97Å; D362-L366 PolarHBondContact O-N 2.75Å
363Q91.6Very high92.4Very high102 Ų10252.7 Ų52.748%0.47729%0.289SS..Hα-helixtrans-61.9-35.9178.1-168.462.721.300112.3F365 L366 E367Q363-F365 PolarHBondContact O-N 3.13Å; Q363-L366 PolarHBondContact O-N 2.87Å; Q363-E367 WeakPolarHBondContact O-CG 3.19Å; Q363-E367 PolarHBondContact O-N 2.87Å
364N93.2Very high91.8Very high81 Ų8155.4 Ų55.443%0.43330%0.296SS..Hα-helixtrans-64.3-40177.8-178.540.1000111.6D362 L366 E367 K368D362-N364 VanDerWaalsContact C-N 3.27Å; D362-N364 PolarHBondContact O-N 3.25Å; D362-N364 WeakPolarHBondContact OD1-CB 3.47Å; D362-N364 PolarHBondContact OD1-N 2.78Å; N364-L366 VanDerWaalsContact C-N 3.35Å; N364-L366 PolarHBondContact O-N 2.94Å; N364-E367 PolarHBondContact O-N 2.85Å; N364-K368 WeakPolarHBondContact O-CG 3.36Å; N364-K368 PolarHBondContact O-N 3.4Å
365F95.6Very high91.7Very high4 Ų460.3 Ų60.32%0.01831%0.305CS..Hα-helixtrans-56.3-48.9171.6171.1-90.7000111.3V66 Q356 Y361 D362 Q363 E367 K368 V369 H388 I392V66-F365 HydrophobicContact CG1-CE1 4.44Å; V66-F365 HydrophobicContact CG2-CD1 3.71Å; V66-F365 HydrophobicContact CG2-CE1 3.83Å; Q356-F365 HydrophobicContact CB-CD2 4.14Å; Y361-F365 HydrophobicContact CD1-CD1 4.1Å; Y361-F365 HydrophobicContact CD1-CD2 4.26Å; Y361-F365 AromaticContact CD1-CE1 3.9Å; Y361-F365 HydrophobicContact CD1-CE1 3.9Å; Y361-F365 HydrophobicContact CD1-CE2 4.06Å; Y361-F365 HydrophobicContact CD1-CG 4.28Å; Y361-F365 AromaticContact CD1-CZ 3.88Å; Y361-F365 HydrophobicContact CD1-CZ 3.88Å; Y361-F365 HydrophobicContact CE1-CE2 4.26Å; Y361-F365 HydrophobicContact CE1-CZ 4.15Å; D362-F365 WeakPolarHBondContact O-CB 3.11Å; D362-F365 PolarHBondContact O-N 3.05Å; D362-F365 PolarHBondContact OD1-N 2.97Å; Q363-F365 PolarHBondContact O-N 3.13Å; F365-E367 PolarHBondContact O-N 3.05Å; F365-K368 PolarHBondContact O-N 3.33Å; F365-V369 HydrophobicContact CD1-CG2 4.43Å; F365-V369 HydrophobicContact CE1-CG2 3.98Å; F365-V369 HydrophobicContact CE2-CG2 4.38Å; F365-V369 HydrophobicContact CZ-CG2 3.96Å; F365-V369 WeakPolarHBondContact O-CG2 3.35Å; F365-V369 PolarHBondContact O-N 3.14Å; F365-V369 VanDerWaalsContact O-N 3.11Å; F365-H388 HydrophobicContact CE2-CB 4.17Å; F365-H388 AromaticContact CE2-CD2 3.86Å; F365-H388 AromaticContact CE2-CE1 3.71Å; F365-H388 AromaticContact CE2-CG 3.67Å; F365-H388 AromaticContact CE2-ND1 3.62Å; F365-H388 AromaticContact CE2-NE2 3.89Å; F365-H388 HydrophobicContact CZ-CB 4.07Å; F365-I392 HydrophobicContact CE1-CD1 4.13Å; F365-I392 HydrophobicContact CZ-CD1 4.36Å
366L93.8Very high91.7Very high3 Ų362.9 Ų62.92%0.01632%0.319CS..Hα-helixtrans-63.3-42.4179.9-18061.5000111.8N65 V66 C69 D362 Q363 N364 K368 V369 Q370N65-L366 WeakPolarHBondContact O-CD2 3.18Å; V66-L366 HydrophobicContact CG1-CD1 4.21Å; C69-L366 HydrophobicContact CB-CD2 3.8Å; D362-L366 PolarHBondContact O-N 2.75Å; Q363-L366 PolarHBondContact O-N 2.87Å; N364-L366 VanDerWaalsContact C-N 3.35Å; N364-L366 PolarHBondContact O-N 2.94Å; L366-K368 PolarHBondContact O-N 2.92Å; L366-V369 WeakPolarHBondContact O-CB 3.47Å; L366-V369 PolarHBondContact O-N 3.35Å; L366-Q370 HydrophobicContact CD1-CG 4.14Å; L366-Q370 HydrophobicContact CG-CG 4.37Å; L366-Q370 WeakPolarHBondContact O-CG 3.44Å; L366-Q370 PolarHBondContact O-N 2.87Å
367E92.1Very high91.6Very high70 Ų7067.6 Ų67.633%0.32734%0.344SS..Hα-helixtrans-60.1-43.3177.2-75.9-172.3-150.700112.4Q363 N364 F365 V369 Q370 K371Q363-E367 WeakPolarHBondContact O-CG 3.19Å; Q363-E367 PolarHBondContact O-N 2.87Å; N364-E367 PolarHBondContact O-N 2.85Å; F365-E367 PolarHBondContact O-N 3.05Å; E367-V369 VanDerWaalsContact C-N 3.32Å; E367-V369 PolarHBondContact O-N 2.8Å; E367-Q370 PolarHBondContact O-N 3.38Å; E367-K371 WeakPolarHBondContact O-CB 3.2Å; E367-K371 WeakPolarHBondContact O-CG 3.4Å; E367-K371 PolarHBondContact O-N 2.76Å; E367-K371 IonicContact OE2-NZ 3.25Å; E367-K371 PolarHBondContact OE2-NZ 3.02Å
368K90.8Very high91.6Very high90 Ų9069.8 Ų69.839%0.39137%0.367SS..Hα-helixtrans-60.1-42.4175-72.4173.6-177.4175.40111.7N364 F365 L366 Q370 C372N364-K368 WeakPolarHBondContact O-CG 3.36Å; N364-K368 PolarHBondContact O-N 3.4Å; F365-K368 PolarHBondContact O-N 3.33Å; L366-K368 PolarHBondContact O-N 2.92Å; K368-Q370 VanDerWaalsContact C-N 3.33Å; K368-Q370 PolarHBondContact O-N 3.31Å; K368-C372 PolarHBondContact O-N 2.76Å
369V91.5Very high91.8Very high3 Ų368 Ų682%0.01836%0.36CS..Hα-helixtrans-63.9-39.11771700000111.2F365 L366 E367 H388 Q389 I392F365-V369 HydrophobicContact CD1-CG2 4.43Å; F365-V369 HydrophobicContact CE1-CG2 3.98Å; F365-V369 HydrophobicContact CE2-CG2 4.38Å; F365-V369 HydrophobicContact CZ-CG2 3.96Å; F365-V369 WeakPolarHBondContact O-CG2 3.35Å; F365-V369 PolarHBondContact O-N 3.14Å; F365-V369 VanDerWaalsContact O-N 3.11Å; L366-V369 WeakPolarHBondContact O-CB 3.47Å; L366-V369 PolarHBondContact O-N 3.35Å; E367-V369 VanDerWaalsContact C-N 3.32Å; E367-V369 PolarHBondContact O-N 2.8Å; V369-H388 HydrophobicContact CG2-CB 3.81Å; V369-Q389 HydrophobicContact CG1-CG 3.71Å; V369-Q389 PolarHBondContact O-NE2 3.04Å; V369-I392 HydrophobicContact CB-CD1 4.47Å; V369-I392 HydrophobicContact CG1-CD1 3.71Å; V369-I392 HydrophobicContact CG2-CD1 4.1Å
370Q89.9Confident92.1Very high108 Ų10868.2 Ų68.251%0.50536%0.359SS..Hα-helixtrans-78.9-38.7-177.5-72.8177.9-23.100113.5L366 E367 K368 C372L366-Q370 HydrophobicContact CD1-CG 4.14Å; L366-Q370 HydrophobicContact CG-CG 4.37Å; L366-Q370 WeakPolarHBondContact O-CG 3.44Å; L366-Q370 PolarHBondContact O-N 2.87Å; E367-Q370 PolarHBondContact O-N 3.38Å; K368-Q370 VanDerWaalsContact C-N 3.33Å; K368-Q370 PolarHBondContact O-N 3.31Å; Q370-C372 VanDerWaalsContact C-N 3.26Å; Q370-C372 PolarHBondContact O-N 3.23Å
371K88.3Confident92.2Very high155 Ų15570.8 Ų70.867%0.67437%0.365SS*.SBendtrans-832.4-178.4-66.7171.4179.2165.70113.7E367 S373E367-K371 WeakPolarHBondContact O-CB 3.2Å; E367-K371 WeakPolarHBondContact O-CG 3.4Å; E367-K371 PolarHBondContact O-N 2.76Å; E367-K371 IonicContact OE2-NZ 3.25Å; E367-K371 PolarHBondContact OE2-NZ 3.02Å; K371-S373 PolarHBondContact O-N 3.23Å
372C87.6Confident92.2Very high22 Ų2271 Ų7115%0.14937%0.366CS..  trans-57.5129.2-180178.40000111.6K368 Q370 A385K368-C372 PolarHBondContact O-N 2.76Å; Q370-C372 VanDerWaalsContact C-N 3.26Å; Q370-C372 PolarHBondContact O-N 3.23Å; C372-A385 HydrophobicContact CB-CB 3.96Å
373S85.5Confident92.4Very high61 Ų6168.3 Ų68.343%0.42735%0.352SS..  trans-55.8155.4178.2-177.30000112.7K371 E375 Y382 K386K371-S373 PolarHBondContact O-N 3.23Å; S373-E375 PolarHBondContact OG-N 2.86Å; S373-E375 PolarHBondContact OG-O 2.88Å; S373-Y382 WeakPolarHBondContact O-CE2 3.36Å; S373-K386 WeakPolarHBondContact O-CE 3.5Å; S373-K386 PolarHBondContact O-NZ 2.84Å
374M81.1Confident92.7Very high165 Ų16563.6 Ų63.681%0.81333%0.33SS*.SBendtrans-76.7-35.8171.5-66.3-58.6-68.300111.5Y382M374-Y382 PolarHBondContact O-OH 3.4Å
375E90.4Very high92.9Very high156 Ų15660.3 Ų60.373%0.72931%0.314SS*.SBendtrans-100.9142.1-176.6-63.2-177.5174.100111.2S373 D377 Y382S373-E375 PolarHBondContact OG-N 2.86Å; S373-E375 PolarHBondContact OG-O 2.88Å; E375-D377 PolarHBondContact O-N 3.37Å; E375-Y382 WeakPolarHBondContact O-CD2 3.34Å; E375-Y382 WeakPolarHBondContact O-CE2 3.36Å
376D94.4Very high93Very high76 Ų7660.6 Ų60.641%0.40632%0.315SS..  trans-74.8112.7176.5-174.13.3000109.7R340 G378 Y382R340-D376 IonicContact CZ-OD1 2.81Å; R340-D376 IonicContact CZ-OD2 3.91Å; R340-D376 IonicContact NH1-OD1 3.04Å; R340-D376 PolarHBondContact NH1-OD1 3Å; R340-D376 IonicContact NH1-OD2 3.53Å; R340-D376 PolarHBondContact NH1-OD2 2.73Å; R340-D376 IonicContact NH2-OD1 3.34Å; R340-D376 IonicContact NH2-OD2 3.85Å; R340-D376 PolarHBondContact NH2-OD2 3.21Å; D376-G378 VanDerWaalsContact C-N 3.27Å; D376-G378 WeakPolarHBondContact OD1-CA 3.33Å; D376-G378 PolarHBondContact OD1-N 2.8Å; D376-Y382 VanDerWaalsContact CA-CE1 3.5Å; D376-Y382 VanDerWaalsContact CA-CZ 3.42Å; D376-Y382 HydrophobicContact CB-CD1 3.99Å; D376-Y382 HydrophobicContact CB-CE1 3.43Å; D376-Y382 VanDerWaalsContact CB-CE1 3.43Å; D376-Y382 VanDerWaalsContact CG-CE1 3.5Å; D376-Y382 PolarHBondContact N-OH 2.9Å; D376-Y382 WeakPolarHBondContact OD1-CD1 3.37Å
377D94.8Very high93.2Very high111 Ų11160.5 Ų60.559%0.59432%0.315SS*.  trans-86.12.8176.962.58.7000113E375 S379 Y382E375-D377 PolarHBondContact O-N 3.37Å; D377-S379 VanDerWaalsContact C-N 3.25Å; D377-S379 PolarHBondContact O-N 3.19Å; D377-S379 WeakPolarHBondContact OD1-CB 3.5Å; D377-S379 PolarHBondContact OD1-N 3.24Å; D377-S379 PolarHBondContact OD1-OG 3.03Å; D377-S379 PolarHBondContact OD2-OG 3.49Å; D377-Y382 VanDerWaalsContact OD1-CB 3.25Å; D377-Y382 WeakPolarHBondContact OD1-CB 3.33Å
378G95.8Very high93.4Very high48 Ų4857.6 Ų57.650%0.49530%0.302SS..SBendtrans81.9-5.3-178.200000114.4R340 D376R340-G378 VanDerWaalsContact NH1-C 3.33Å; R340-G378 PolarHBondContact NH1-O 3.29Å; D376-G378 VanDerWaalsContact C-N 3.27Å; D376-G378 WeakPolarHBondContact OD1-CA 3.33Å; D376-G378 PolarHBondContact OD1-N 2.8Å
379S96.6Very high93.8Very high28 Ų2853.5 Ų53.520%0.19628%0.284CS..  trans-72.4161.6-177.771.60000113.1R340 D377 E381 Y382 A383R340-S379 PolarHBondContact NH1-O 3.3Å; D377-S379 VanDerWaalsContact C-N 3.25Å; D377-S379 PolarHBondContact O-N 3.19Å; D377-S379 WeakPolarHBondContact OD1-CB 3.5Å; D377-S379 PolarHBondContact OD1-N 3.24Å; D377-S379 PolarHBondContact OD1-OG 3.03Å; D377-S379 PolarHBondContact OD2-OG 3.49Å; S379-E381 WeakPolarHBondContact CB-OE2 3.39Å; S379-Y382 WeakPolarHBondContact OG-CB 3.44Å; S379-Y382 PolarHBondContact OG-N 3.1Å; S379-A383 PolarHBondContact O-N 3.28Å
380V97.2Very high94.1Very high16 Ų1653.6 Ų53.610%0.09728%0.284CS..Hα-helixtrans-76.6-30.617167.30000110.7V341 H344 L355 A383 A384V341-V380 HydrophobicContact CG2-CG2 4.39Å; H344-V380 HydrophobicContact CB-CB 4.49Å; H344-V380 HydrophobicContact CB-CG2 3.7Å; L355-V380 HydrophobicContact CD1-CG2 4.01Å; V380-A383 PolarHBondContact O-N 3.4Å; V380-A384 VanDerWaalsContact O-CB 3.27Å; V380-A384 WeakPolarHBondContact O-CB 3.48Å; V380-A384 PolarHBondContact O-N 3.46Å
381E95.8Very high94.5Very high120 Ų12049 Ų4956%0.56126%0.262SS*.Hα-helixtrans-63.6-44.7177.5-67.772.9-163.300111.1S379 A384 A385S379-E381 WeakPolarHBondContact CB-OE2 3.39Å; E381-A384 PolarHBondContact O-N 3.03Å; E381-A385 VanDerWaalsContact O-CB 3.32Å; E381-A385 WeakPolarHBondContact O-CB 3.29Å; E381-A385 PolarHBondContact O-N 2.98Å
382Y96.9Very high95Very high16 Ų1641.7 Ų41.76%0.06323%0.23CC..Hα-helixtrans-59.3-50.2172.7174.5-90.9000111.2L337 S373 M374 E375 D376 D377 S379 A384 A385 K386L337-Y382 HydrophobicContact CD1-CD1 4.45Å; L337-Y382 HydrophobicContact CD1-CE1 3.86Å; L337-Y382 HydrophobicContact CD2-CD1 4.32Å; L337-Y382 HydrophobicContact CD2-CE1 4.15Å; S373-Y382 WeakPolarHBondContact O-CE2 3.36Å; M374-Y382 PolarHBondContact O-OH 3.4Å; E375-Y382 WeakPolarHBondContact O-CD2 3.34Å; E375-Y382 WeakPolarHBondContact O-CE2 3.36Å; D376-Y382 VanDerWaalsContact CA-CE1 3.5Å; D376-Y382 VanDerWaalsContact CA-CZ 3.42Å; D376-Y382 HydrophobicContact CB-CD1 3.99Å; D376-Y382 HydrophobicContact CB-CE1 3.43Å; D376-Y382 VanDerWaalsContact CB-CE1 3.43Å; D376-Y382 VanDerWaalsContact CG-CE1 3.5Å; D376-Y382 PolarHBondContact N-OH 2.9Å; D376-Y382 WeakPolarHBondContact OD1-CD1 3.37Å; D377-Y382 VanDerWaalsContact OD1-CB 3.25Å; D377-Y382 WeakPolarHBondContact OD1-CB 3.33Å; S379-Y382 WeakPolarHBondContact OG-CB 3.44Å; S379-Y382 PolarHBondContact OG-N 3.1Å; Y382-A384 PolarHBondContact O-N 3.13Å; Y382-A385 PolarHBondContact O-N 2.87Å; Y382-K386 HydrophobicContact CD1-CG 4.3Å; Y382-K386 HydrophobicContact CE1-CG 3.79Å; Y382-K386 HydrophobicContact CE2-CG 4.29Å; Y382-K386 PolarHBondContact O-N 3.41Å; Y382-K386 WeakPolarHBondContact OH-CE 3.44Å
383A97.7Very high95.5Very high0 Ų040.6 Ų40.60%022%0.223CC..Hα-helixtrans-60.7-45-179.100000111.6L337 R340 V341 S379 V380 A385 K386 V387L337-A383 HydrophobicContact CB-CB 3.96Å; L337-A383 HydrophobicContact CD2-CB 4.17Å; R340-A383 HydrophobicContact CB-CB 4.34Å; V341-A383 HydrophobicContact CG2-CB 3.76Å; S379-A383 PolarHBondContact O-N 3.28Å; V380-A383 PolarHBondContact O-N 3.4Å; A383-A385 PolarHBondContact O-N 3.24Å; A383-K386 PolarHBondContact O-N 3.29Å; A383-V387 VanDerWaalsContact O-CG2 3.28Å; A383-V387 WeakPolarHBondContact O-CG2 3.44Å; A383-V387 PolarHBondContact O-N 3.38Å
384A97.3Very high96.1Very high3 Ų338.3 Ų38.33%0.02521%0.205CC..Hα-helixtrans-61.5-43.9175.800000111.6V341 L355 V380 E381 Y382 K386 V387 H388V341-A384 HydrophobicContact CG2-CB 4.14Å; L355-A384 HydrophobicContact CD2-CB 4.15Å; V380-A384 VanDerWaalsContact O-CB 3.27Å; V380-A384 WeakPolarHBondContact O-CB 3.48Å; V380-A384 PolarHBondContact O-N 3.46Å; E381-A384 PolarHBondContact O-N 3.03Å; Y382-A384 PolarHBondContact O-N 3.13Å; A384-K386 PolarHBondContact O-N 2.96Å; A384-V387 PolarHBondContact O-N 3.35Å; A384-H388 PolarHBondContact O-CD2 3.31Å; A384-H388 VanDerWaalsContact O-CG 3.28Å; A384-H388 PolarHBondContact O-N 3.34Å
385A97.1Very high96.9Very high12 Ų1230.4 Ų30.410%0.09917%0.167CC..Hα-helixtrans-61.8-42.6177.300000112.5C372 E381 Y382 A383 H388 Q389C372-A385 HydrophobicContact CB-CB 3.96Å; E381-A385 VanDerWaalsContact O-CB 3.32Å; E381-A385 WeakPolarHBondContact O-CB 3.29Å; E381-A385 PolarHBondContact O-N 2.98Å; Y382-A385 PolarHBondContact O-N 2.87Å; A383-A385 PolarHBondContact O-N 3.24Å; A385-H388 PolarHBondContact O-N 3.39Å; A385-Q389 WeakPolarHBondContact O-CG 3.47Å; A385-Q389 PolarHBondContact O-N 3.46Å
386K97.7Very high97.3Very high9 Ų923 Ų234%0.03913%0.132CC..Hα-helixtrans-65.4-39.2174.2-68.6-59.8-175.4-167.40112.5L329 L334 L337 S373 Y382 A383 A384 H388 Q389 Y390L329-K386 HydrophobicContact CD1-CB 4.42Å; L329-K386 HydrophobicContact CD1-CD 4.29Å; L329-K386 HydrophobicContact CD1-CG 4.23Å; L334-K386 HydrophobicContact CD1-CB 4.11Å; L334-K386 WeakPolarHBondContact CD1-O 3.44Å; L337-K386 HydrophobicContact CD1-CB 3.64Å; L337-K386 HydrophobicContact CD1-CG 3.77Å; S373-K386 WeakPolarHBondContact O-CE 3.5Å; S373-K386 PolarHBondContact O-NZ 2.84Å; Y382-K386 HydrophobicContact CD1-CG 4.3Å; Y382-K386 HydrophobicContact CE1-CG 3.79Å; Y382-K386 HydrophobicContact CE2-CG 4.29Å; Y382-K386 PolarHBondContact O-N 3.41Å; Y382-K386 WeakPolarHBondContact OH-CE 3.44Å; A383-K386 PolarHBondContact O-N 3.29Å; A384-K386 PolarHBondContact O-N 2.96Å; K386-H388 VanDerWaalsContact C-N 3.34Å; K386-H388 PolarHBondContact O-N 2.94Å; K386-Q389 PolarHBondContact O-N 3.49Å; K386-Y390 PolarHBondContact O-N 3.44Å
387V98Very high97.4Very high1 Ų120.4 Ų20.41%0.00612%0.117CC..Hα-helixtrans-62.6-41174.1169.80000111.1L334 V341 A383 A384 Y390 R391 L446L334-V387 HydrophobicContact CD1-CG2 4.35Å; V341-V387 HydrophobicContact CG2-CG2 4.44Å; A383-V387 VanDerWaalsContact O-CG2 3.28Å; A383-V387 WeakPolarHBondContact O-CG2 3.44Å; A383-V387 PolarHBondContact O-N 3.38Å; A384-V387 PolarHBondContact O-N 3.35Å; V387-Y390 PolarHBondContact O-N 3.2Å; V387-R391 VanDerWaalsContact O-CG 3.26Å; V387-R391 WeakPolarHBondContact O-CG 3.13Å; V387-R391 PolarHBondContact O-N 2.9Å; V387-L446 HydrophobicContact CG1-CD1 3.49Å; V387-L446 VanDerWaalsContact CG1-CD1 3.49Å
388H97.9Very high97.5Very high10 Ų1017.7 Ų17.75%0.04610%0.103CC..Hα-helixtrans-63.9-46.8174.2-70.2-47.3000112.3L355 Q356 F365 V369 A384 A385 K386 Y390 R391 I392L355-H388 PolarHBondContact O-NE2 2.94Å; Q356-H388 PolarHBondContact O-CE1 3.07Å; Q356-H388 VanDerWaalsContact O-CE1 3.3Å; F365-H388 HydrophobicContact CE2-CB 4.17Å; F365-H388 AromaticContact CE2-CD2 3.86Å; F365-H388 AromaticContact CE2-CE1 3.71Å; F365-H388 AromaticContact CE2-CG 3.67Å; F365-H388 AromaticContact CE2-ND1 3.62Å; F365-H388 AromaticContact CE2-NE2 3.89Å; F365-H388 HydrophobicContact CZ-CB 4.07Å; V369-H388 HydrophobicContact CG2-CB 3.81Å; A384-H388 PolarHBondContact O-CD2 3.31Å; A384-H388 VanDerWaalsContact O-CG 3.28Å; A384-H388 PolarHBondContact O-N 3.34Å; A385-H388 PolarHBondContact O-N 3.39Å; K386-H388 VanDerWaalsContact C-N 3.34Å; K386-H388 PolarHBondContact O-N 2.94Å; H388-Y390 VanDerWaalsContact C-N 3.3Å; H388-Y390 PolarHBondContact O-N 3.15Å; H388-R391 PolarHBondContact CE1-NH1 2.76Å; H388-R391 PolarHBondContact ND1-NH1 3.22Å; H388-R391 VanDerWaalsContact ND1-NH1 3.15Å; H388-R391 PolarHBondContact O-N 3.5Å; H388-R391 VanDerWaalsContact O-N 3.14Å; H388-I392 WeakPolarHBondContact O-CG1 3.09Å; H388-I392 PolarHBondContact O-N 3.45Å
389Q97.9Very high97.6Very high4 Ų415.5 Ų15.52%0.0198%0.08CC..Hα-helixtrans-53.7-46.7173.5-77.1-178-10.100111.6L326 V369 A385 K386 I392 A393L326-Q389 HydrophobicContact CB-CB 4.14Å; L326-Q389 WeakPolarHBondContact CB-O 3.29Å; L326-Q389 HydrophobicContact CD2-CG 4.28Å; V369-Q389 HydrophobicContact CG1-CG 3.71Å; V369-Q389 PolarHBondContact O-NE2 3.04Å; A385-Q389 WeakPolarHBondContact O-CG 3.47Å; A385-Q389 PolarHBondContact O-N 3.46Å; K386-Q389 PolarHBondContact O-N 3.49Å; Q389-I392 PolarHBondContact O-N 3.32Å; Q389-A393 WeakPolarHBondContact O-CB 3.34Å; Q389-A393 PolarHBondContact O-N 3.2Å
390Y98.3Very high97.7Very high5 Ų514.1 Ų14.12%0.027%0.07CC..Hα-helixtrans-63.3-42.4176.9175.2-99.2000112.8D327 I331 L334 K386 V387 H388 I392 A393 M394 V449 Q452D327-Y390 HydrophobicContact CB-CD2 4.12Å; I331-Y390 HydrophobicContact CB-CE2 4.35Å; I331-Y390 HydrophobicContact CD1-CE1 4.13Å; I331-Y390 HydrophobicContact CD1-CE2 4.29Å; I331-Y390 WeakPolarHBondContact CD1-OH 3.28Å; L334-Y390 HydrophobicContact CD1-CG 4.47Å; L334-Y390 VanDerWaalsContact CD2-CB 3.43Å; L334-Y390 HydrophobicContact CD2-CD1 3.3Å; L334-Y390 HydrophobicContact CD2-CD2 3.62Å; L334-Y390 HydrophobicContact CD2-CE1 3.87Å; L334-Y390 HydrophobicContact CD2-CE2 4.16Å; L334-Y390 HydrophobicContact CD2-CG 3.16Å; L334-Y390 HydrophobicContact CG-CG 4.35Å; K386-Y390 PolarHBondContact O-N 3.44Å; V387-Y390 PolarHBondContact O-N 3.2Å; H388-Y390 VanDerWaalsContact C-N 3.3Å; H388-Y390 PolarHBondContact O-N 3.15Å; Y390-I392 VanDerWaalsContact C-N 3.34Å; Y390-I392 PolarHBondContact O-N 3.01Å; Y390-A393 WeakPolarHBondContact O-CB 3.42Å; Y390-A393 PolarHBondContact O-N 3.06Å; Y390-M394 HydrophobicContact CD1-CG 3.91Å; Y390-M394 HydrophobicContact CD2-CG 4.25Å; Y390-M394 HydrophobicContact CE1-CG 3.46Å; Y390-M394 VanDerWaalsContact CE1-CG 3.46Å; Y390-M394 HydrophobicContact CE1-SD 4.34Å; Y390-M394 HydrophobicContact CE2-CG 3.83Å; Y390-M394 HydrophobicContact CE2-SD 3.97Å; Y390-M394 HydrophobicContact CG-CG 4.29Å; Y390-M394 WeakPolarHBondContact O-CB 3.42Å; Y390-M394 VanDerWaalsContact O-CG 3.29Å; Y390-M394 WeakPolarHBondContact O-CG 3.15Å; Y390-M394 PolarHBondContact O-N 2.89Å; Y390-V449 HydrophobicContact CD1-CG2 4.24Å; Y390-V449 HydrophobicContact CE1-CG2 4.12Å; Y390-Q452 WeakPolarHBondContact OH-CB 3.46Å
391R98.2Very high97.7Very high10 Ų1013.4 Ų13.44%0.0387%0.066CC..Hα-helixtrans-63-41178.9-72.1166.663.7-155.74.6111.7I357 Y361 V387 H388 M394 T395 K444I357-R391 PolarHBondContact O-NH1 3.32Å; I357-R391 PolarHBondContact O-NH2 3.5Å; Y361-R391 PolarHBondContact OH-NH2 3.23Å; V387-R391 VanDerWaalsContact O-CG 3.26Å; V387-R391 WeakPolarHBondContact O-CG 3.13Å; V387-R391 PolarHBondContact O-N 2.9Å; H388-R391 PolarHBondContact CE1-NH1 2.76Å; H388-R391 PolarHBondContact ND1-NH1 3.22Å; H388-R391 VanDerWaalsContact ND1-NH1 3.15Å; H388-R391 PolarHBondContact O-N 3.5Å; H388-R391 VanDerWaalsContact O-N 3.14Å; R391-M394 PolarHBondContact O-N 2.86Å; R391-T395 PolarHBondContact O-N 2.77Å; R391-T395 PolarHBondContact O-OG1 2.86Å; R391-K444 HydrophobicContact CB-CB 4.47Å; R391-K444 VanDerWaalsContact CZ-O 3.23Å; R391-K444 PolarHBondContact NE-O 3.12Å; R391-K444 PolarHBondContact NH2-O 2.62Å
392I98.4Very high97.8Very high2 Ų27.9 Ų7.91%0.014%0.04CC..Hα-helixtrans-62.8-47.1173.5-65163000110.4F62 V66 M67 L70 T323 L326 F365 V369 H388 Q389 Y390 M394 T395 A396F62-I392 HydrophobicContact CE2-CG1 3.86Å; F62-I392 HydrophobicContact CZ-CG1 3.89Å; V66-I392 HydrophobicContact CG1-CD1 3.9Å; V66-I392 HydrophobicContact CG1-CG1 4.23Å; M67-I392 HydrophobicContact SD-CG2 4.02Å; L70-I392 HydrophobicContact CD1-CG2 3.73Å; T323-I392 HydrophobicContact CG2-CG2 3.79Å; L326-I392 HydrophobicContact CD1-CB 4.08Å; L326-I392 HydrophobicContact CD1-CG2 3.56Å; F365-I392 HydrophobicContact CE1-CD1 4.13Å; F365-I392 HydrophobicContact CZ-CD1 4.36Å; V369-I392 HydrophobicContact CB-CD1 4.47Å; V369-I392 HydrophobicContact CG1-CD1 3.71Å; V369-I392 HydrophobicContact CG2-CD1 4.1Å; H388-I392 WeakPolarHBondContact O-CG1 3.09Å; H388-I392 PolarHBondContact O-N 3.45Å; Q389-I392 PolarHBondContact O-N 3.32Å; Y390-I392 VanDerWaalsContact C-N 3.34Å; Y390-I392 PolarHBondContact O-N 3.01Å; I392-M394 VanDerWaalsContact C-N 3.3Å; I392-M394 PolarHBondContact O-N 2.9Å; I392-T395 WeakPolarHBondContact O-CB 3.37Å; I392-T395 PolarHBondContact O-N 2.79Å; I392-T395 VanDerWaalsContact O-N 3.11Å; I392-A396 PolarHBondContact O-N 2.78Å
393A98.3Very high97.8Very high0 Ų07.1 Ų7.10%04%0.037CC..Hα-helixtrans-57.9-42.8175.600000112.1Q324 L326 D327 Q389 Y390 T395 A396 K397Q324-A393 WeakPolarHBondContact O-CB 3.17Å; L326-A393 HydrophobicContact CB-CB 4.1Å; D327-A393 HydrophobicContact CB-CB 3.65Å; Q389-A393 WeakPolarHBondContact O-CB 3.34Å; Q389-A393 PolarHBondContact O-N 3.2Å; Y390-A393 WeakPolarHBondContact O-CB 3.42Å; Y390-A393 PolarHBondContact O-N 3.06Å; A393-T395 VanDerWaalsContact C-N 3.31Å; A393-T395 PolarHBondContact O-N 3.39Å; A393-A396 CarbonylContact O-C 3.48Å; A393-A396 PolarHBondContact O-N 3.28Å; A393-A396 VanDerWaalsContact O-N 3.16Å; A393-K397 VanDerWaalsContact O-CG 3.27Å; A393-K397 WeakPolarHBondContact O-CG 2.99Å; A393-K397 PolarHBondContact O-N 2.78Å
394M98.2Very high97.6Very high12 Ų127.3 Ų7.36%0.0594%0.038CC..Hα-helixtrans-65.7-32.2177.6-74.1-59-59.400112.7Y390 R391 I392 K397 D398 K444 Q452Y390-M394 HydrophobicContact CD1-CG 3.91Å; Y390-M394 HydrophobicContact CD2-CG 4.25Å; Y390-M394 HydrophobicContact CE1-CG 3.46Å; Y390-M394 VanDerWaalsContact CE1-CG 3.46Å; Y390-M394 HydrophobicContact CE1-SD 4.34Å; Y390-M394 HydrophobicContact CE2-CG 3.83Å; Y390-M394 HydrophobicContact CE2-SD 3.97Å; Y390-M394 HydrophobicContact CG-CG 4.29Å; Y390-M394 WeakPolarHBondContact O-CB 3.42Å; Y390-M394 VanDerWaalsContact O-CG 3.29Å; Y390-M394 WeakPolarHBondContact O-CG 3.15Å; Y390-M394 PolarHBondContact O-N 2.89Å; R391-M394 PolarHBondContact O-N 2.86Å; I392-M394 VanDerWaalsContact C-N 3.3Å; I392-M394 PolarHBondContact O-N 2.9Å; M394-K397 HydrophobicContact SD-CD 3.94Å; M394-D398 PolarHBondContact O-N 3.26Å; M394-K444 HydrophobicContact CB-CG 3.81Å; M394-K444 WeakPolarHBondContact O-CE 3.26Å; M394-Q452 HydrophobicContact CE-CG 4.11Å
395T98.1Very high97.3Very high0 Ų07.1 Ų7.10%04%0.037CC..Hα-helixtrans-63.2-49.1168.2-63.80000110.9F62 M67 R391 I392 A393 K397 D398 C399 L441 D442F62-T395 HydrophobicContact CE1-CG2 4.19Å; M67-T395 HydrophobicContact CE-CG2 4.25Å; R391-T395 PolarHBondContact O-N 2.77Å; R391-T395 PolarHBondContact O-OG1 2.86Å; I392-T395 WeakPolarHBondContact O-CB 3.37Å; I392-T395 PolarHBondContact O-N 2.79Å; I392-T395 VanDerWaalsContact O-N 3.11Å; A393-T395 VanDerWaalsContact C-N 3.31Å; A393-T395 PolarHBondContact O-N 3.39Å; T395-K397 VanDerWaalsContact C-N 3.3Å; T395-K397 PolarHBondContact O-N 3.44Å; T395-D398 CarbonylContact O-C 3.58Å; T395-D398 PolarHBondContact O-N 3.32Å; T395-D398 VanDerWaalsContact O-N 3.1Å; T395-C399 PolarHBondContact O-N 2.99Å; T395-L441 HydrophobicContact CG2-CB 4.49Å; T395-L441 HydrophobicContact CG2-CD2 4.22Å; T395-D442 WeakPolarHBondContact CG2-O 3.43Å; T395-D442 PolarHBondContact OG1-O 2.89Å
396A98.3Very high96.9Very high1 Ų16.9 Ų6.91%0.0083%0.034CC..Hα-helixtrans-66.6-24.7177.800000114.5T323 Q324 I392 A393 D398 C399T323-A396 HydrophobicContact CG2-CB 3.61Å; Q324-A396 HydrophobicContact CG-CB 3.8Å; Q324-A396 PolarHBondContact NE2-O 3.34Å; I392-A396 PolarHBondContact O-N 2.78Å; A393-A396 CarbonylContact O-C 3.48Å; A393-A396 PolarHBondContact O-N 3.28Å; A393-A396 VanDerWaalsContact O-N 3.16Å; A396-D398 VanDerWaalsContact C-N 3.34Å; A396-C399 PolarHBondContact O-SG 2.66Å
397K98Very high96.3Very high21 Ų216.6 Ų6.69%0.0913%0.033CC..Hα-helixtrans-75.6-23.4173.2-71.7173.7-173.6-169.40112.7K143 C144 Q324 D327 A393 M394 T395K143-K397 WeakPolarHBondContact CA-O 3.16Å; C144-K397 HydrophobicContact CB-CD 4.18Å; C144-K397 HydrophobicContact CB-CG 4.05Å; Q324-K397 HydrophobicContact CB-CG 4.17Å; Q324-K397 HydrophobicContact CG-CG 3.79Å; D327-K397 IonicContact OD2-NZ 3.92Å; D327-K397 PolarHBondContact OD2-NZ 3.09Å; A393-K397 VanDerWaalsContact O-CG 3.27Å; A393-K397 WeakPolarHBondContact O-CG 2.99Å; A393-K397 PolarHBondContact O-N 2.78Å; M394-K397 HydrophobicContact SD-CD 3.94Å; T395-K397 VanDerWaalsContact C-N 3.3Å; T395-K397 PolarHBondContact O-N 3.44Å
398D96.4Very high95.1Very high54 Ų549 Ų929%0.2895%0.05SC..Hα-helixtrans-108.2-3.7-177-83.1-21.4000114.2M394 T395 A396 K444M394-D398 PolarHBondContact O-N 3.26Å; T395-D398 CarbonylContact O-C 3.58Å; T395-D398 PolarHBondContact O-N 3.32Å; T395-D398 VanDerWaalsContact O-N 3.1Å; A396-D398 VanDerWaalsContact C-N 3.34Å; D398-K444 VanDerWaalsContact CB-NZ 3.35Å; D398-K444 WeakPolarHBondContact OD2-CE 3.13Å; D398-K444 IonicContact OD2-NZ 3.22Å; D398-K444 PolarHBondContact OD2-NZ 3.27Å
399C97.6Very high93.4Very high1 Ų111.3 Ų11.31%0.0078%0.076CC..  trans-64.8167.3179.773.90000112.6P142 T395 A396 V438 L439 L441P142-C399 WeakPolarHBondContact CD-O 3.5Å; T395-C399 PolarHBondContact O-N 2.99Å; A396-C399 PolarHBondContact O-SG 2.66Å; C399-V438 HydrophobicContact CB-CG1 3.82Å; C399-L439 WeakPolarHBondContact CA-O 3.22Å; C399-L439 WeakPolarHBondContact CB-O 3.2Å; C399-L441 HydrophobicContact CB-CD2 3.96Å
400S97.6Very high91.1Very high0 Ų018.6 Ų18.60%011%0.111CC..EExtended strand (participates in β ladder)trans-115.9148.8170-46.40000110.6I140 K141 V438 L439 D440I140-S400 CarbonylContact O-C 3.59Å; I140-S400 VanDerWaalsContact O-CA 3.28Å; I140-S400 WeakPolarHBondContact O-CA 3.49Å; K141-S400 WeakPolarHBondContact CE-OG 3.47Å; K141-S400 WeakPolarHBondContact CG-OG 3.1Å; S400-V438 CarbonylContact O-C 3.52Å; S400-V438 VanDerWaalsContact O-CA 3.3Å; S400-V438 WeakPolarHBondContact O-CA 3.31Å; S400-V438 WeakPolarHBondContact O-CG1 3.32Å; S400-L439 PolarHBondContact N-O 3.32Å; S400-L439 PolarHBondContact O-N 3.28Å; S400-D440 PolarHBondContact OG-OD2 3.09Å
401I98.1Very high88.4Confident0 Ų026.5 Ų26.50%015%0.148CC..EExtended strand (participates in β ladder)trans-105.2122.7169.7-55.6173.8000107E139 I140 P142 L272 L317 I320 V403 V436 S437E139-I401 CarbonylContact C-O 3.55Å; E139-I401 WeakPolarHBondContact CA-O 3.21Å; I140-I401 PolarHBondContact N-O 2.77Å; I140-I401 PolarHBondContact O-N 2.64Å; P142-I401 HydrophobicContact CB-CD1 4.33Å; P142-I401 HydrophobicContact CG-CD1 3.93Å; P142-I401 HydrophobicContact CG-CG1 4.26Å; L272-I401 HydrophobicContact CD2-CD1 4.43Å; L272-I401 HydrophobicContact CD2-CG2 4.08Å; L317-I401 HydrophobicContact CD2-CD1 3.62Å; I320-I401 HydrophobicContact CD1-CD1 3.62Å; I320-I401 HydrophobicContact CD1-CG1 3.68Å; I401-V403 HydrophobicContact CG2-CG2 4.06Å; I401-V436 HydrophobicContact CG2-CG1 3.46Å; I401-V436 VanDerWaalsContact CG2-CG1 3.46Å; I401-S437 CarbonylContact C-O 3.53Å; I401-S437 WeakPolarHBondContact CA-O 3.31Å
402M97.6Very high85.6Confident4 Ų434.4 Ų34.42%0.0219%0.185CC..EExtended strand (participates in β ladder)trans-97.2117.6169-17364.57000108.6L122 T123 C137 I138 E139 F214 V436 S437 L439L122-M402 HydrophobicContact CB-CG 3.93Å; L122-M402 HydrophobicContact CD1-CB 4.25Å; L122-M402 HydrophobicContact CD1-CG 4.43Å; T123-M402 HydrophobicContact CG2-CE 4.02Å; C137-M402 HydrophobicContact CB-SD 3.76Å; I138-M402 CarbonylContact O-C 3.49Å; I138-M402 WeakPolarHBondContact O-CA 3.49Å; E139-M402 HydrophobicContact CB-CE 3.87Å; E139-M402 HydrophobicContact CB-SD 4.29Å; E139-M402 HydrophobicContact CG-CE 4.22Å; F214-M402 HydrophobicContact CE2-CE 4.43Å; M402-V436 CarbonylContact O-C 3.55Å; M402-V436 WeakPolarHBondContact O-CA 3.48Å; M402-S437 PolarHBondContact N-O 2.96Å; M402-S437 PolarHBondContact O-N 3.23Å; M402-L439 HydrophobicContact CB-CD1 3.99Å; M402-L439 HydrophobicContact CB-CG 4.48Å; M402-L439 HydrophobicContact CE-CD1 3.72Å
403V96.7Very high82.7Confident0 Ų040.4 Ų40.40%022%0.217CC..EExtended strand (participates in β ladder)trans-105.5118.2171.7-178.90000108.3C137 I138 L268 A271 L272 I401 L405 V436C137-V403 CarbonylContact C-O 3.31Å; C137-V403 WeakPolarHBondContact CA-O 3.23Å; I138-V403 HydrophobicContact CB-CB 4.46Å; I138-V403 WeakPolarHBondContact CD1-O 3.16Å; I138-V403 PolarHBondContact N-O 3.15Å; I138-V403 PolarHBondContact O-N 2.97Å; L268-V403 HydrophobicContact CD1-CB 3.96Å; L268-V403 HydrophobicContact CD1-CG1 3.96Å; L268-V403 HydrophobicContact CD1-CG2 3.94Å; A271-V403 HydrophobicContact CB-CG1 3.64Å; L272-V403 HydrophobicContact CD2-CG2 3.85Å; L272-V403 HydrophobicContact CG-CG2 4.4Å; I401-V403 HydrophobicContact CG2-CG2 4.06Å; V403-L405 HydrophobicContact CG1-CD2 3.89Å; V403-L405 HydrophobicContact CG1-CG 4.29Å; V403-V436 HydrophobicContact CG2-CG1 4.37Å; V403-V436 HydrophobicContact CG2-CG2 4.31Å
404T94.2Very high79.7Confident4 Ų447.7 Ų47.73%0.02526%0.256CS..EExtended strand (participates in β ladder)trans-101124.8174.6-58.60000108.7P125 P135 L136 V406 S434 S435P125-T404 HydrophobicContact CG-CG2 3.81Å; P135-T404 HydrophobicContact CB-CG2 4.26Å; L136-T404 CarbonylContact O-C 3.55Å; L136-T404 WeakPolarHBondContact O-CA 3.27Å; T404-V406 HydrophobicContact CG2-CG2 4Å; T404-S434 CarbonylContact O-C 3.57Å; T404-S434 WeakPolarHBondContact O-CA 3.43Å; T404-S435 WeakPolarHBondContact CB-OG 3.39Å; T404-S435 PolarHBondContact N-O 2.7Å; T404-S435 PolarHBondContact O-N 3.01Å
405L91.9Very high76.7Confident0 Ų053.7 Ų53.70%029%0.288CS..EExtended strand (participates in β ladder)trans-111.1118.7175.3-56.4178.1000108.7P135 L136 I138 F264 V267 A271 V403 F432P135-L405 WeakPolarHBondContact CA-O 3.32Å; L136-L405 HydrophobicContact CB-CB 4.36Å; L136-L405 PolarHBondContact N-O 3.19Å; L136-L405 PolarHBondContact O-N 3.13Å; I138-L405 HydrophobicContact CD1-CD1 3.79Å; I138-L405 HydrophobicContact CD1-CG 3.96Å; F264-L405 HydrophobicContact CE2-CD1 4.41Å; V267-L405 HydrophobicContact CG1-CD1 3.73Å; V267-L405 HydrophobicContact CG1-CD2 3.93Å; V267-L405 HydrophobicContact CG1-CG 4.44Å; A271-L405 HydrophobicContact CB-CD2 4.13Å; V403-L405 HydrophobicContact CG1-CD2 3.89Å; V403-L405 HydrophobicContact CG1-CG 4.29Å; L405-F432 HydrophobicContact CB-CD1 3.8Å; L405-F432 HydrophobicContact CB-CE1 4.39Å; L405-F432 HydrophobicContact CB-CG 4.4Å
406V88.5Confident74.2Confident6 Ų662.8 Ų62.84%0.03633%0.331CS..EExtended strand (participates in β ladder)trans-112.5118.7178.5-173.80000107.5H128 P135 T404 S408 F432 S433H128-V406 HydrophobicContact CB-CG1 4.06Å; H128-V406 VanDerWaalsContact CD2-CG2 3.45Å; H128-V406 WeakPolarHBondContact CD2-CG2 3.38Å; H128-V406 WeakPolarHBondContact NE2-CG2 3.18Å; P135-V406 HydrophobicContact CB-CG2 4.15Å; T404-V406 HydrophobicContact CG2-CG2 4Å; V406-S408 PolarHBondContact O-N 2.86Å; V406-F432 WeakPolarHBondContact O-CA 3.47Å; V406-S433 WeakPolarHBondContact CB-OG 3.1Å; V406-S433 PolarHBondContact N-O 3.42Å; V406-S433 PolarHBondContact O-N 2.81Å; V406-S433 PolarHBondContact O-OG 2.98Å
407P84.3Confident71.5Confident3 Ų369.6 Ų69.62%0.01937%0.367CS..EExtended strand (participates in β ladder)trans-63129.2176.4-1832.2000109.4Y243 G409 F432Y243-P407 HydrophobicContact CD1-CG 3.61Å; Y243-P407 HydrophobicContact CE1-CG 3.68Å; P407-G409 PolarHBondContact O-N 2.82Å; P407-F432 HydrophobicContact CB-CE1 4.49Å; P407-F432 HydrophobicContact CG-CD1 4.44Å; P407-F432 HydrophobicContact CG-CE1 4.15Å
408S73.4Confident68.5Low51 Ų5176.4 Ų76.436%0.35740%0.404SS..PPolyproline II helixtrans-67.5126.1166.7-640000108.3V406 Q430 A431V406-S408 PolarHBondContact O-N 2.86Å; S408-Q430 PolarHBondContact O-NE2 2.93Å; S408-A431 VanDerWaalsContact CB-O 3.26Å; S408-A431 WeakPolarHBondContact CB-O 3.48Å; S408-A431 PolarHBondContact N-O 3.35Å; S408-A431 PolarHBondContact OG-O 3.36Å
409G61.4Low65.6Low59 Ų5977.9 Ų77.961%0.60842%0.418SS*.PPolyproline II helixtrans-69.5132.7163.300000108.1P407 E411P407-G409 PolarHBondContact O-N 2.82Å; G409-E411 PolarHBondContact O-N 2.97Å
410E50.4Low62.7Low158 Ų15883.5 Ų83.574%0.73846%0.457SS*.PPolyproline II helixtrans-71.4122.4157.9-66.9178.616900104.7E412E410-E412 PolarHBondContact O-N 3.06Å
411E40.6Very low59.7Low170 Ų17092.3 Ų92.379%0.79450%0.499SS*.PPolyproline II helixtrans-56.6126.3156.5-70.2177.9177.800104.9G409 D413G409-E411 PolarHBondContact O-N 2.97Å; E411-D413 PolarHBondContact O-N 3.24Å
412E40.3Very low56.8Low176 Ų17699.5 Ų99.582%0.82253%0.53SS*.  trans-63.290.3165.6-71.6175.3169.300104.9E410 D414E410-E412 PolarHBondContact O-N 3.06Å; E412-D414 PolarHBondContact O-N 3.2Å
413D36.2Very low53.8Low129 Ų129110.6 Ų110.669%0.6957%0.572SS**  trans-63.193.6167.8-77.7-25.2000105.6E411 D415E411-D413 PolarHBondContact O-N 3.24Å; D413-D415 PolarHBondContact O-N 2.83Å
414D37Very low50.7Low152 Ų152118.6 Ų118.681%0.81361%0.614SS**  trans-66.844.7165.2-84.1-27.6000110.7E412E412-D414 PolarHBondContact O-N 3.2Å
415D34.5Very low48.1Very low138 Ų138127.8 Ų127.874%0.73865%0.648SS**  trans-103.485.1172.3-81.3-27.7000108.9D413 D417D413-D415 PolarHBondContact O-N 2.83Å; D415-D417 PolarHBondContact O-N 2.78Å
416E44.8Very low45.4Very low192 Ų192132.8 Ų132.890%0.89767%0.674SS**  trans-59.282152.5-77.5-164156.400109.2
417D41.9Very low43.2Very low144 Ų144140.5 Ų140.577%0.7771%0.708SS**  trans149.7103.1148.3-90.2-29.1000109.3D415D415-D417 PolarHBondContact O-N 2.78Å
418L35.3Very low41.6Very low164 Ų164148.5 Ų148.586%0.85974%0.738SS**  -174.1108.2126.6-113.399000111.2
419S35.2Very low40.7Very low84 Ų84147.4 Ų147.459%0.58773%0.729SS**  trans43.5102.3143.662.80000119.7Q421S419-Q421 PolarHBondContact O-N 3.18Å
420S36.3Very low40.6Very low119 Ų119145.9 Ų145.983%0.83271%0.707SS**SBendtrans16.812.1130.6-49.60000124.2
421Q34.8Very low41.7Very low186 Ų186141.5 Ų141.587%0.86970%0.697SS**  trans-11915-178.3-95.2-177.5-1500115.1S419S419-Q421 PolarHBondContact O-N 3.18Å
422K37.4Very low43.8Very low150 Ų150135 Ų13565%0.65267%0.667SS**  trans-103.514175.6-118.4176.9-173.2173.20114.9L424K422-L424 VanDerWaalsContact C-N 3.31Å; K422-L424 PolarHBondContact O-N 3.23Å
423R33.6Very low46.1Very low237 Ų237129.2 Ų129.289%0.89465%0.645SS**THydrogen-bonded Turntrans-89.536.8-178.2-65.2-165.3-158.8-1414114.9
424L33.2Very low48.6Very low169 Ų169125.5 Ų125.589%0.88563%0.63SS**THydrogen-bonded Turntrans-139.837.4168.8-101.6154.9000110.2K422 D426K422-L424 VanDerWaalsContact C-N 3.31Å; K422-L424 PolarHBondContact O-N 3.23Å; L424-D426 PolarHBondContact O-N 3.47Å
425R38Very low51.2Low196 Ų196120.9 Ų120.974%0.7461%0.609SS**  trans-76.9113.9163.3-82.7-175.5174.4-177-3.3107.6
426D36.1Very low54.1Low105 Ų105115.1 Ų115.156%0.56158%0.579SS**  trans-28.6140.4167.1-68.3-32.1000112.8L424 R428L424-D426 PolarHBondContact O-N 3.47Å; D426-R428 HydrophobicContact CB-CG 3.74Å; D426-R428 PolarHBondContact O-N 3.01Å; D426-R428 IonicContact OD2-CZ 3.87Å; D426-R428 IonicContact OD2-NE 2.72Å; D426-R428 PolarHBondContact OD2-NE 3.49Å; D426-R428 IonicContact OD2-NH2 3.84Å; D426-R428 PolarHBondContact OD2-NH2 3.24Å
427F42.4Very low56.5Low169 Ų169106.4 Ų106.474%0.74154%0.539SS*.  trans-58.971168.5-67.7-85.7000111.6
428R51.5Low59.2Low171 Ų17199.7 Ų99.765%0.64550%0.503SS*.  trans-97.6135.7-180-64.7-166.4-170.7-163.95.3109.3N248 D426N248-R428 PolarHBondContact OD1-O 3.46Å; D426-R428 HydrophobicContact CB-CG 3.74Å; D426-R428 PolarHBondContact O-N 3.01Å; D426-R428 IonicContact OD2-CZ 3.87Å; D426-R428 IonicContact OD2-NE 2.72Å; D426-R428 PolarHBondContact OD2-NE 3.49Å; D426-R428 IonicContact OD2-NH2 3.84Å; D426-R428 PolarHBondContact OD2-NH2 3.24Å
429P53.1Low62Low28 Ų2894.3 Ų94.318%0.18248%0.475CS..  trans-50.6156.1166.8-23.132.2000111.1F244 D263 V267 A431F244-P429 HydrophobicContact CD1-CB 4.32Å; F244-P429 HydrophobicContact CE1-CB 4.48Å; D263-P429 HydrophobicContact CB-CG 4.38Å; V267-P429 HydrophobicContact CG2-CB 4.04Å; V267-P429 HydrophobicContact CG2-CG 4.41Å; P429-A431 PolarHBondContact O-N 3.35Å
430Q60.3Low64.9Low27 Ų2793.3 Ų93.313%0.12646%0.463CS..  trans-43.5137.1175.1-171168.41.300110.5Y243 S408 F432Y243-Q430 PolarHBondContact O-OE1 2.92Å; S408-Q430 PolarHBondContact O-NE2 2.93Å; Q430-F432 HydrophobicContact CB-CE2 4.2Å; Q430-F432 WeakPolarHBondContact O-CD2 3.47Å; Q430-F432 WeakPolarHBondContact O-CE2 3.41Å; Q430-F432 PolarHBondContact O-N 2.9Å
431A73.8Confident67.8Low66 Ų6688.1 Ų88.155%0.54543%0.426SS..  trans-62.8115.5175.700000108.6S408 P429S408-A431 VanDerWaalsContact CB-O 3.26Å; S408-A431 WeakPolarHBondContact CB-O 3.48Å; S408-A431 PolarHBondContact N-O 3.35Å; S408-A431 PolarHBondContact OG-O 3.36Å; P429-A431 PolarHBondContact O-N 3.35Å
432F83.9Confident70.6Confident34 Ų3481 Ų8115%0.14939%0.394CS..EExtended strand (participates in β ladder)trans-101.1131.6169.4-67.7-89.9000107.9Y243 F244 V267 L405 V406 P407 Q430Y243-F432 HydrophobicContact CD1-CE1 4.19Å; F244-F432 HydrophobicContact CD1-CE2 4.41Å; F244-F432 AromaticContact CE1-CE2 3.77Å; F244-F432 HydrophobicContact CE1-CE2 3.77Å; F244-F432 HydrophobicContact CE1-CZ 4.05Å; F244-F432 HydrophobicContact CZ-CE2 4.13Å; F244-F432 HydrophobicContact CZ-CZ 4.01Å; V267-F432 HydrophobicContact CB-CD2 4.43Å; V267-F432 HydrophobicContact CG1-CB 4.29Å; V267-F432 HydrophobicContact CG1-CD2 3.65Å; V267-F432 HydrophobicContact CG1-CE2 4.18Å; V267-F432 HydrophobicContact CG1-CG 4.04Å; V267-F432 HydrophobicContact CG2-CD2 3.91Å; V267-F432 HydrophobicContact CG2-CE2 4.01Å; L405-F432 HydrophobicContact CB-CD1 3.8Å; L405-F432 HydrophobicContact CB-CE1 4.39Å; L405-F432 HydrophobicContact CB-CG 4.4Å; V406-F432 WeakPolarHBondContact O-CA 3.47Å; P407-F432 HydrophobicContact CB-CE1 4.49Å; P407-F432 HydrophobicContact CG-CD1 4.44Å; P407-F432 HydrophobicContact CG-CE1 4.15Å; Q430-F432 HydrophobicContact CB-CE2 4.2Å; Q430-F432 WeakPolarHBondContact O-CD2 3.47Å; Q430-F432 WeakPolarHBondContact O-CE2 3.41Å; Q430-F432 PolarHBondContact O-N 2.9Å
433S87.8Confident73.4Confident54 Ų5475 Ų7538%0.37837%0.371SS..EExtended strand (participates in β ladder)trans-79.6137.315564.50000108.1V406V406-S433 WeakPolarHBondContact CB-OG 3.1Å; V406-S433 PolarHBondContact N-O 3.42Å; V406-S433 PolarHBondContact O-N 2.81Å; V406-S433 PolarHBondContact O-OG 2.98Å
434S90.1Very high76.3Confident51 Ų5166 Ų6636%0.35734%0.338SS..EExtended strand (participates in β ladder)trans-124.7135.1-177.3670000111.4T404T404-S434 CarbonylContact O-C 3.57Å; T404-S434 WeakPolarHBondContact O-CA 3.43Å
435S91.7Very high79.2Confident54 Ų5460 Ų6038%0.37831%0.309SS..EExtended strand (participates in β ladder)trans-118.1150.5165.165.90000110T404T404-S435 WeakPolarHBondContact CB-OG 3.39Å; T404-S435 PolarHBondContact N-O 2.7Å; T404-S435 PolarHBondContact O-N 3.01Å
436V94.4Very high81.9Confident17 Ų1750.7 Ų50.710%0.10327%0.274CS..EExtended strand (participates in β ladder)trans-128.9140.2-179.4-172.60000109.1F75 I316 I401 M402 V403F75-V436 HydrophobicContact CD1-CB 4.21Å; F75-V436 WeakPolarHBondContact CD1-O 3.46Å; F75-V436 HydrophobicContact CE1-CB 4.21Å; I316-V436 HydrophobicContact CG1-CG1 4.39Å; I316-V436 HydrophobicContact CG2-CG1 3.96Å; I401-V436 HydrophobicContact CG2-CG1 3.46Å; I401-V436 VanDerWaalsContact CG2-CG1 3.46Å; M402-V436 CarbonylContact O-C 3.55Å; M402-V436 WeakPolarHBondContact O-CA 3.48Å; V403-V436 HydrophobicContact CG2-CG1 4.37Å; V403-V436 HydrophobicContact CG2-CG2 4.31Å
437S95.9Very high84.6Confident10 Ų1050.6 Ų50.67%0.0727%0.273CS..EExtended strand (participates in β ladder)trans-144.9157.7178-61.90000110.6F75 H77 L122 I401 M402F75-S437 CarbonylContact O-C 3.54Å; F75-S437 VanDerWaalsContact O-CA 3.26Å; F75-S437 WeakPolarHBondContact O-CA 3.31Å; H77-S437 PolarHBondContact NE2-OG 3.47Å; L122-S437 VanDerWaalsContact CD1-CB 3.45Å; I401-S437 CarbonylContact C-O 3.53Å; I401-S437 WeakPolarHBondContact CA-O 3.31Å; M402-S437 PolarHBondContact N-O 2.96Å; M402-S437 PolarHBondContact O-N 3.23Å
438V97.7Very high87.1Confident3 Ų342.7 Ų42.72%0.01824%0.239CC..EExtended strand (participates in β ladder)trans-112.2135.3178.9-171.80000109.7L71 F75 I316 I320 C399 S400 L441L71-V438 HydrophobicContact CD1-CB 4.16Å; L71-V438 HydrophobicContact CD1-CG1 3.95Å; L71-V438 HydrophobicContact CD1-CG2 4.24Å; F75-V438 HydrophobicContact CB-CG2 4.4Å; F75-V438 PolarHBondContact O-N 2.96Å; I316-V438 HydrophobicContact CD1-CG2 3.6Å; I316-V438 HydrophobicContact CG1-CG2 3.87Å; I320-V438 HydrophobicContact CD1-CG2 4.15Å; C399-V438 HydrophobicContact CB-CG1 3.82Å; S400-V438 CarbonylContact O-C 3.52Å; S400-V438 VanDerWaalsContact O-CA 3.3Å; S400-V438 WeakPolarHBondContact O-CA 3.31Å; S400-V438 WeakPolarHBondContact O-CG1 3.32Å; V438-L441 HydrophobicContact CB-CD1 4.32Å; V438-L441 HydrophobicContact CG1-CD1 4.19Å; V438-L441 HydrophobicContact CG1-CD2 3.69Å; V438-L441 HydrophobicContact CG1-CG 4.11Å
439L95.3Very high89.3Confident51 Ų5134.6 Ų34.627%0.26721%0.208SC..EExtended strand (participates in β ladder)trans-121.9171.9-178.4-60.1171.6000110.1L122 C399 S400 M402L122-L439 HydrophobicContact CD1-CD1 4.46Å; L122-L439 HydrophobicContact CD1-CD2 3.64Å; L122-L439 HydrophobicContact CD1-CG 4.21Å; L122-L439 HydrophobicContact CG-CD2 4.47Å; C399-L439 WeakPolarHBondContact CA-O 3.22Å; C399-L439 WeakPolarHBondContact CB-O 3.2Å; S400-L439 PolarHBondContact N-O 3.32Å; S400-L439 PolarHBondContact O-N 3.28Å; M402-L439 HydrophobicContact CB-CD1 3.99Å; M402-L439 HydrophobicContact CB-CG 4.48Å; M402-L439 HydrophobicContact CE-CD1 3.72Å
440D94.8Very high91.5Very high63 Ų6334 Ų3434%0.33721%0.205SC..  trans61.446.4177.6-63-30000113.4K141 S400K141-D440 VanDerWaalsContact CE-OD2 3.23Å; K141-D440 WeakPolarHBondContact CE-OD2 3.48Å; K141-D440 IonicContact NZ-OD2 3.44Å; K141-D440 PolarHBondContact NZ-OD2 3.26Å; S400-D440 PolarHBondContact OG-OD2 3.09Å
441L97Very high93.2Very high10 Ų1038.9 Ų38.95%0.05222%0.222CC..  trans-94.417.7-173.6-66-179.4000115.4F62 T63 M67 L71 V76 T395 C399 V438F62-L441 VanDerWaalsContact CD1-O 3.23Å; F62-L441 WeakPolarHBondContact CD1-O 3.45Å; F62-L441 VanDerWaalsContact CE1-O 3.3Å; F62-L441 WeakPolarHBondContact CE1-O 3.36Å; T63-L441 HydrophobicContact CG2-CB 4.37Å; T63-L441 HydrophobicContact CG2-CD1 4.1Å; M67-L441 HydrophobicContact CB-CD1 4.06Å; M67-L441 HydrophobicContact CE-CD2 3.69Å; M67-L441 HydrophobicContact CG-CB 4.33Å; M67-L441 HydrophobicContact CG-CD2 4.46Å; L71-L441 HydrophobicContact CD1-CD1 4.13Å; L71-L441 HydrophobicContact CD1-CD2 3.94Å; V76-L441 HydrophobicContact CG1-CD1 3.95Å; V76-L441 HydrophobicContact CG2-CD1 4.11Å; T395-L441 HydrophobicContact CG2-CB 4.49Å; T395-L441 HydrophobicContact CG2-CD2 4.22Å; C399-L441 HydrophobicContact CB-CD2 3.96Å; V438-L441 HydrophobicContact CB-CD1 4.32Å; V438-L441 HydrophobicContact CG1-CD1 4.19Å; V438-L441 HydrophobicContact CG1-CD2 3.69Å; V438-L441 HydrophobicContact CG1-CG 4.11Å
442D95.4Very high94.3Very high37 Ų3736.8 Ų36.820%0.19820%0.201CC..PPolyproline II helixtrans-60.5140.8179.2-57.69.6000111.9R33 T395 K444R33-D442 IonicContact CZ-OD1 2.75Å; R33-D442 IonicContact CZ-OD2 3.34Å; R33-D442 VanDerWaalsContact NH1-CG 3.33Å; R33-D442 IonicContact NH1-OD1 3.49Å; R33-D442 PolarHBondContact NH1-OD1 2.94Å; R33-D442 IonicContact NH1-OD2 3.88Å; R33-D442 PolarHBondContact NH1-OD2 2.88Å; R33-D442 IonicContact NH2-OD1 3.73Å; R33-D442 PolarHBondContact NH2-OD1 3.06Å; R33-D442 IonicContact NH2-OD2 2.68Å; R33-D442 PolarHBondContact NH2-OD2 3.33Å; T395-D442 WeakPolarHBondContact CG2-O 3.43Å; T395-D442 PolarHBondContact OG1-O 2.89Å; D442-K444 PolarHBondContact O-N 3.45Å
443P94.9Very high95Very high24 Ų2436 Ų3616%0.15620%0.198CC..PPolyproline II helixtrans-62.4132.317325.2-32.1000110.3F62 Y361F62-P443 HydrophobicContact CB-CB 4.47Å; F62-P443 HydrophobicContact CB-CG 4.18Å; F62-P443 HydrophobicContact CD1-CB 3.96Å; F62-P443 HydrophobicContact CD1-CG 4.23Å; F62-P443 HydrophobicContact CD2-CB 3.96Å; F62-P443 HydrophobicContact CE1-CB 4.13Å; F62-P443 HydrophobicContact CE2-CB 4.14Å; F62-P443 HydrophobicContact CG-CB 3.86Å; F62-P443 HydrophobicContact CG-CG 4.07Å; F62-P443 HydrophobicContact CZ-CB 4.22Å; Y361-P443 HydrophobicContact CE2-CB 4.29Å; Y361-P443 HydrophobicContact CE2-CG 3.93Å
444K95.4Very high95.5Very high47 Ų4740.2 Ų40.220%0.20421%0.206CC..PPolyproline II helixtrans-69.6137.7173-60.2-52.8-175177.40109.7R391 M394 D398 D442R391-K444 HydrophobicContact CB-CB 4.47Å; R391-K444 VanDerWaalsContact CZ-O 3.23Å; R391-K444 PolarHBondContact NE-O 3.12Å; R391-K444 PolarHBondContact NH2-O 2.62Å; M394-K444 HydrophobicContact CB-CG 3.81Å; M394-K444 WeakPolarHBondContact O-CE 3.26Å; D398-K444 VanDerWaalsContact CB-NZ 3.35Å; D398-K444 WeakPolarHBondContact OD2-CE 3.13Å; D398-K444 IonicContact OD2-NZ 3.22Å; D398-K444 PolarHBondContact OD2-NZ 3.27Å; D442-K444 PolarHBondContact O-N 3.45Å
445P93.8Very high95.9Very high42 Ų4240 Ų4027%0.27320%0.201SC..PPolyproline II helixtrans-72.7152.7177.330.3-34.6000111.3D447 S448P445-D447 VanDerWaalsContact C-N 3.32Å; P445-D447 PolarHBondContact O-N 2.93Å; P445-S448 VanDerWaalsContact O-CB 3.32Å; P445-S448 WeakPolarHBondContact O-CB 3.47Å; P445-S448 PolarHBondContact O-N 2.76Å; P445-S448 VanDerWaalsContact O-N 3.13Å; P445-S448 PolarHBondContact O-OG 3.38Å
446L95.1Very high96.2Very high1 Ų137.7 Ų37.71%0.00518%0.184CC..THydrogen-bonded Turntrans-54.9-46.7178-179.658.4000111.7Y338 E342 L345 I357 V387 S448 V449Y338-L446 HydrophobicContact CD2-CD1 3.71Å; Y338-L446 HydrophobicContact CD2-CG 4.4Å; Y338-L446 HydrophobicContact CE2-CD1 3.71Å; Y338-L446 HydrophobicContact CE2-CG 3.9Å; E342-L446 VanDerWaalsContact OE1-CD2 3.25Å; E342-L446 WeakPolarHBondContact OE1-CD2 3.48Å; L345-L446 HydrophobicContact CD1-CD2 4.25Å; I357-L446 HydrophobicContact CG2-CB 4.15Å; I357-L446 HydrophobicContact CG2-CD2 3.53Å; I357-L446 HydrophobicContact CG2-CG 4.4Å; V387-L446 HydrophobicContact CG1-CD1 3.49Å; V387-L446 VanDerWaalsContact CG1-CD1 3.49Å; L446-S448 PolarHBondContact O-N 3.37Å; L446-V449 WeakPolarHBondContact O-CG2 3.34Å; L446-V449 PolarHBondContact O-N 2.86Å
447D93.2Very high96.4Very high104 Ų10441.7 Ų41.756%0.55620%0.202SC*.THydrogen-bonded Turntrans-64.9-5-177.9-43.4-14000113.9P445 V449P445-D447 VanDerWaalsContact C-N 3.32Å; P445-D447 PolarHBondContact O-N 2.93Å; D447-V449 VanDerWaalsContact C-N 3.33Å
448S94.4Very high96.5Very high3 Ų346.8 Ų46.82%0.02122%0.222CC..Hα-helixtrans-74.3-22.6171.170.70000113.5P445 L446 R451 Q452P445-S448 VanDerWaalsContact O-CB 3.32Å; P445-S448 WeakPolarHBondContact O-CB 3.47Å; P445-S448 PolarHBondContact O-N 2.76Å; P445-S448 VanDerWaalsContact O-N 3.13Å; P445-S448 PolarHBondContact O-OG 3.38Å; L446-S448 PolarHBondContact O-N 3.37Å; S448-R451 WeakPolarHBondContact O-CB 3.24Å; S448-R451 PolarHBondContact O-N 2.98Å; S448-Q452 WeakPolarHBondContact O-CG 3.43Å; S448-Q452 PolarHBondContact O-N 3.31Å
449V97.6Very high96.6Very high0 Ų046.7 Ų46.70%022%0.222CC..Hα-helixtrans-58.4-51.6-174.1172.70000112.2I331 L334 Y335 Y338 Y390 L446 D447 R451 Q452 L453I331-V449 HydrophobicContact CD1-CG1 3.84Å; L334-V449 HydrophobicContact CD2-CG1 4.43Å; Y335-V449 HydrophobicContact CD2-CG1 4.17Å; Y338-V449 HydrophobicContact CD1-CG1 4.05Å; Y338-V449 HydrophobicContact CD2-CB 3.81Å; Y338-V449 HydrophobicContact CD2-CG1 3.85Å; Y338-V449 HydrophobicContact CD2-CG2 4.16Å; Y338-V449 HydrophobicContact CE2-CB 4.06Å; Y338-V449 HydrophobicContact CE2-CG1 4.47Å; Y338-V449 HydrophobicContact CG-CB 4.09Å; Y338-V449 HydrophobicContact CG-CG1 3.61Å; Y390-V449 HydrophobicContact CD1-CG2 4.24Å; Y390-V449 HydrophobicContact CE1-CG2 4.12Å; L446-V449 WeakPolarHBondContact O-CG2 3.34Å; L446-V449 PolarHBondContact O-N 2.86Å; D447-V449 VanDerWaalsContact C-N 3.33Å; V449-R451 VanDerWaalsContact C-N 3.27Å; V449-R451 PolarHBondContact O-N 2.7Å; V449-Q452 PolarHBondContact O-N 3.23Å; V449-L453 PolarHBondContact O-N 3.32Å; V449-L453 VanDerWaalsContact O-N 3.07Å
450P98.1Very high96.7Very high17 Ų1744.6 Ų44.611%0.1121%0.211CC..Hα-helixtrans-59.4-37.5177.1-24.533.9000113.3Y335 Y338 Q452 L453 R454Y335-P450 HydrophobicContact CE2-CB 4.39Å; Y335-P450 HydrophobicContact CE2-CG 4.38Å; Y338-P450 HydrophobicContact CD1-CG 4.48Å; Y338-P450 HydrophobicContact CE1-CG 3.51Å; Y338-P450 VanDerWaalsContact OH-CG 3.29Å; Y338-P450 WeakPolarHBondContact OH-CG 3.42Å; P450-Q452 VanDerWaalsContact C-N 3.34Å; P450-L453 PolarHBondContact O-N 3.18Å; P450-R454 WeakPolarHBondContact O-CG 3.34Å; P450-R454 PolarHBondContact O-N 2.87Å; P450-R454 VanDerWaalsContact O-N 3.1Å
451R96.8Very high96.8Very high129 Ų12944.6 Ų44.649%0.48722%0.216SC..Hα-helixtrans-65.9-38.4177.2-175.6-178.465.5-111.4-0111.2S448 V449 L455S448-R451 WeakPolarHBondContact O-CB 3.24Å; S448-R451 PolarHBondContact O-N 2.98Å; V449-R451 VanDerWaalsContact C-N 3.27Å; V449-R451 PolarHBondContact O-N 2.7Å; R451-L455 WeakPolarHBondContact O-CB 3.45Å; R451-L455 PolarHBondContact O-N 3.3Å
452Q97.8Very high96.8Very high22 Ų2245 Ų4510%0.10322%0.22CC..Hα-helixtrans-66.9-40.4177.5-67.9-59.1-19.700112.1I331 Y390 M394 S448 V449 P450 L455 D456I331-Q452 HydrophobicContact CD1-CB 4.42Å; I331-Q452 HydrophobicContact CG1-CB 4.4Å; Y390-Q452 WeakPolarHBondContact OH-CB 3.46Å; M394-Q452 HydrophobicContact CE-CG 4.11Å; S448-Q452 WeakPolarHBondContact O-CG 3.43Å; S448-Q452 PolarHBondContact O-N 3.31Å; V449-Q452 PolarHBondContact O-N 3.23Å; P450-Q452 VanDerWaalsContact C-N 3.34Å; Q452-L455 PolarHBondContact O-N 3.46Å; Q452-D456 WeakPolarHBondContact O-CB 3.38Å; Q452-D456 PolarHBondContact O-N 2.84Å
453L98.4Very high96.8Very high18 Ų1844.4 Ų44.49%0.09422%0.215CC..Hα-helixtrans-60.9-51.1175.1179.566.2000111.2I331 E332 Y335 V449 P450 L455 D456 Q457I331-L453 HydrophobicContact CD1-CB 4.4Å; I331-L453 HydrophobicContact CG1-CB 3.84Å; I331-L453 HydrophobicContact CG1-CD1 4.12Å; I331-L453 HydrophobicContact CG2-CD1 4.31Å; E332-L453 HydrophobicContact CG-CD1 4.34Å; Y335-L453 HydrophobicContact CD1-CD2 3.57Å; Y335-L453 HydrophobicContact CD2-CB 4.41Å; Y335-L453 HydrophobicContact CD2-CD2 3.67Å; Y335-L453 HydrophobicContact CE1-CD2 3.75Å; Y335-L453 HydrophobicContact CE2-CD2 3.88Å; Y335-L453 HydrophobicContact CG-CD2 3.52Å; V449-L453 PolarHBondContact O-N 3.32Å; V449-L453 VanDerWaalsContact O-N 3.07Å; P450-L453 PolarHBondContact O-N 3.18Å; L453-L455 VanDerWaalsContact C-N 3.27Å; L453-L455 PolarHBondContact O-N 3.1Å; L453-D456 WeakPolarHBondContact O-CB 3.36Å; L453-D456 PolarHBondContact O-N 3.13Å; L453-D456 VanDerWaalsContact O-N 3.13Å; L453-Q457 HydrophobicContact CD1-CG 4.49Å; L453-Q457 WeakPolarHBondContact O-CG 3.37Å; L453-Q457 PolarHBondContact O-N 3.21Å
454R98.4Very high96.8Very high141 Ų14147.5 Ų47.553%0.53223%0.229SC..Hα-helixtrans-58.2-40.5177.9-72-170.4-67.3-93.86.8112.1P450 K458P450-R454 WeakPolarHBondContact O-CG 3.34Å; P450-R454 PolarHBondContact O-N 2.87Å; P450-R454 VanDerWaalsContact O-N 3.1Å; R454-K458 WeakPolarHBondContact O-CG 3.01Å; R454-K458 PolarHBondContact O-N 3.41Å; R454-K458 VanDerWaalsContact O-N 3.14Å
455L98.1Very high96.7Very high48 Ų4855.5 Ų55.525%0.25126%0.259SS..Hα-helixtrans-67.7-41177.4-179.759.8000111.7Y170 R451 Q452 L453 K458 I459Y170-L455 HydrophobicContact CE1-CD1 4.2Å; R451-L455 WeakPolarHBondContact O-CB 3.45Å; R451-L455 PolarHBondContact O-N 3.3Å; Q452-L455 PolarHBondContact O-N 3.46Å; L453-L455 VanDerWaalsContact C-N 3.27Å; L453-L455 PolarHBondContact O-N 3.1Å; L455-K458 PolarHBondContact O-N 3.39Å; L455-I459 HydrophobicContact CD1-CD1 4.02Å; L455-I459 HydrophobicContact CD1-CG1 4.21Å; L455-I459 HydrophobicContact CD2-CD1 4.5Å; L455-I459 HydrophobicContact CG-CD1 3.79Å; L455-I459 HydrophobicContact CG-CG1 4.44Å; L455-I459 WeakPolarHBondContact O-CD1 3.1Å; L455-I459 VanDerWaalsContact O-CG1 3.25Å; L455-I459 WeakPolarHBondContact O-CG1 3.35Å; L455-I459 PolarHBondContact O-N 3.14Å
456D98.5Very high96.3Very high4 Ų455.4 Ų55.42%0.02126%0.257CS..Hα-helixtrans-58.6-50.5176.1-168.271.2000111.5K158 R163 I331 Q452 L453 K458 I459 V460K158-D456 IonicContact NZ-OD1 2.73Å; K158-D456 IonicContact NZ-OD2 2.67Å; K158-D456 PolarHBondContact NZ-OD2 3.37Å; R163-D456 IonicContact CZ-OD1 2.7Å; R163-D456 VanDerWaalsContact NH1-CB 3.3Å; R163-D456 IonicContact NH1-OD1 3.11Å; R163-D456 PolarHBondContact NH1-OD1 3.34Å; I331-D456 HydrophobicContact CG2-CB 3.84Å; Q452-D456 WeakPolarHBondContact O-CB 3.38Å; Q452-D456 PolarHBondContact O-N 2.84Å; L453-D456 WeakPolarHBondContact O-CB 3.36Å; L453-D456 PolarHBondContact O-N 3.13Å; L453-D456 VanDerWaalsContact O-N 3.13Å; D456-K458 VanDerWaalsContact C-N 3.31Å; D456-K458 PolarHBondContact O-N 3.13Å; D456-I459 PolarHBondContact O-N 3.12Å; D456-I459 VanDerWaalsContact O-N 3.12Å; D456-V460 WeakPolarHBondContact O-CG2 3.24Å; D456-V460 PolarHBondContact O-N 2.99Å
457Q98.3Very high95.1Very high102 Ų10258 Ų5848%0.47728%0.284SS..Hα-helixtrans-57.3-43.1177.5-69.7170.8-17.500112.1L453 S461L453-Q457 HydrophobicContact CD1-CG 4.49Å; L453-Q457 WeakPolarHBondContact O-CG 3.37Å; L453-Q457 PolarHBondContact O-N 3.21Å; Q457-S461 WeakPolarHBondContact O-CB 3.38Å; Q457-S461 PolarHBondContact O-N 3.07Å; Q457-S461 PolarHBondContact O-OG 3.48Å
458K98.2Very high93.6Very high117 Ų11754.3 Ų54.351%0.50927%0.27SS..Hα-helixtrans-63.8-43.1176.3-75.9-179.6-179.8-171.50112.4Y170 R454 L455 D456 C462Y170-K458 HydrophobicContact CD2-CB 4.43Å; Y170-K458 HydrophobicContact CE2-CB 3.8Å; Y170-K458 HydrophobicContact CE2-CD 4.49Å; R454-K458 WeakPolarHBondContact O-CG 3.01Å; R454-K458 PolarHBondContact O-N 3.41Å; R454-K458 VanDerWaalsContact O-N 3.14Å; L455-K458 PolarHBondContact O-N 3.39Å; D456-K458 VanDerWaalsContact C-N 3.31Å; D456-K458 PolarHBondContact O-N 3.13Å; K458-C462 VanDerWaalsContact O-CB 3.22Å; K458-C462 WeakPolarHBondContact O-CB 3.2Å; K458-C462 PolarHBondContact O-N 2.91Å
459I98.3Very high91.6Very high0 Ų058.9 Ų58.90%030%0.298CS..Hα-helixtrans-62.3-52.2178.5-72163.4000110.2M166 H167 Y170 L455 D456 S461 C462 Y463M166-I459 HydrophobicContact CB-CG2 3.54Å; H167-I459 HydrophobicContact CB-CD1 3.93Å; H167-I459 HydrophobicContact CB-CG1 4.21Å; H167-I459 HydrophobicContact CB-CG2 4.11Å; Y170-I459 HydrophobicContact CD1-CG1 4.41Å; Y170-I459 HydrophobicContact CG-CG1 4.28Å; L455-I459 HydrophobicContact CD1-CD1 4.02Å; L455-I459 HydrophobicContact CD1-CG1 4.21Å; L455-I459 HydrophobicContact CD2-CD1 4.5Å; L455-I459 HydrophobicContact CG-CD1 3.79Å; L455-I459 HydrophobicContact CG-CG1 4.44Å; L455-I459 WeakPolarHBondContact O-CD1 3.1Å; L455-I459 VanDerWaalsContact O-CG1 3.25Å; L455-I459 WeakPolarHBondContact O-CG1 3.35Å; L455-I459 PolarHBondContact O-N 3.14Å; D456-I459 PolarHBondContact O-N 3.12Å; D456-I459 VanDerWaalsContact O-N 3.12Å; I459-S461 PolarHBondContact O-N 3.35Å; I459-C462 PolarHBondContact O-N 2.86Å; I459-Y463 WeakPolarHBondContact O-CB 3.48Å; I459-Y463 PolarHBondContact O-N 3.26Å
460V97.8Very high89.2Confident7 Ų761.8 Ų61.84%0.04231%0.314CS..Hα-helixtrans-63.6-44.8-177.7175.30000110.6K155 I157 K158 M166 D456 C462 Y463 L464K155-V460 HydrophobicContact CB-CG1 4.13Å; K155-V460 HydrophobicContact CG-CG1 4.06Å; I157-V460 HydrophobicContact CG2-CG1 3.95Å; K158-V460 HydrophobicContact CD-CG2 4.03Å; K158-V460 HydrophobicContact CG-CG2 3.9Å; M166-V460 HydrophobicContact CE-CG2 4.15Å; M166-V460 HydrophobicContact SD-CG2 4.24Å; D456-V460 WeakPolarHBondContact O-CG2 3.24Å; D456-V460 PolarHBondContact O-N 2.99Å; V460-C462 VanDerWaalsContact C-N 3.35Å; V460-C462 PolarHBondContact O-N 3.07Å; V460-Y463 PolarHBondContact O-N 3.42Å; V460-L464 HydrophobicContact CG1-CD1 3.98Å; V460-L464 HydrophobicContact CG1-CG 4.43Å; V460-L464 WeakPolarHBondContact O-CG 3.45Å; V460-L464 PolarHBondContact O-N 3.07Å
461S96.9Very high86.4Confident64 Ų6465.4 Ų65.445%0.44834%0.337SS..Hα-helixtrans-61.9-41.1178.1-59.10000112.5Q457 I459 R465Q457-S461 WeakPolarHBondContact O-CB 3.38Å; Q457-S461 PolarHBondContact O-N 3.07Å; Q457-S461 PolarHBondContact O-OG 3.48Å; I459-S461 PolarHBondContact O-N 3.35Å; S461-R465 WeakPolarHBondContact O-CB 3.47Å; S461-R465 PolarHBondContact O-N 3.38Å; S461-R465 VanDerWaalsContact O-N 3.08Å
462C96.6Very high83.4Confident19 Ų1967.7 Ų67.713%0.12836%0.359CS..Hα-helixtrans-64.4-43175.91780000111.8Y170 K458 I459 V460 R465 T466Y170-C462 HydrophobicContact CD2-CB 3.88Å; K458-C462 VanDerWaalsContact O-CB 3.22Å; K458-C462 WeakPolarHBondContact O-CB 3.2Å; K458-C462 PolarHBondContact O-N 2.91Å; I459-C462 PolarHBondContact O-N 2.86Å; V460-C462 VanDerWaalsContact C-N 3.35Å; V460-C462 PolarHBondContact O-N 3.07Å; C462-R465 PolarHBondContact O-N 3.45Å; C462-T466 WeakPolarHBondContact O-CG2 3.26Å; C462-T466 PolarHBondContact O-N 3.07Å; C462-T466 VanDerWaalsContact O-N 3.11Å; C462-T466 PolarHBondContact O-OG1 3.25Å
463Y96.3Very high80.7Confident23 Ų2370.7 Ų70.79%0.0940%0.396CS..Hα-helixtrans-64.8-43.6179.4-171.1-101.5000112.2I157 V161 M166 H169 I459 V460 T466 G467 G468I157-Y463 HydrophobicContact CD1-CE1 3.94Å; I157-Y463 HydrophobicContact CG1-CD1 3.82Å; I157-Y463 HydrophobicContact CG1-CE1 3.71Å; V161-Y463 HydrophobicContact CB-CE1 4.31Å; V161-Y463 HydrophobicContact CG1-CE1 4.25Å; V161-Y463 HydrophobicContact CG1-CE2 4.43Å; V161-Y463 HydrophobicContact CG2-CE1 4.06Å; M166-Y463 HydrophobicContact CB-CD2 4.05Å; M166-Y463 HydrophobicContact CB-CG 3.98Å; M166-Y463 HydrophobicContact CG-CD1 3.82Å; M166-Y463 HydrophobicContact CG-CD2 3.93Å; M166-Y463 HydrophobicContact CG-CE1 4.23Å; M166-Y463 HydrophobicContact CG-CE2 4.31Å; M166-Y463 HydrophobicContact CG-CG 3.65Å; M166-Y463 HydrophobicContact SD-CD1 4.05Å; M166-Y463 HydrophobicContact SD-CG 4.24Å; H169-Y463 HydrophobicContact CB-CD2 4.38Å; H169-Y463 AromaticContact CD2-CD2 3.57Å; H169-Y463 AromaticContact CD2-CE2 3.61Å; H169-Y463 AromaticContact CE1-CE2 3.99Å; H169-Y463 AromaticContact CG-CD2 3.85Å; H169-Y463 AromaticContact NE2-CD2 3.82Å; H169-Y463 AromaticContact NE2-CE2 3.43Å; H169-Y463 WeakPolarHBondContact NE2-CE2 3.4Å; I459-Y463 WeakPolarHBondContact O-CB 3.48Å; I459-Y463 PolarHBondContact O-N 3.26Å; V460-Y463 PolarHBondContact O-N 3.42Å; Y463-T466 PolarHBondContact O-N 2.88Å; Y463-T466 PolarHBondContact O-OG1 3.09Å; Y463-T466 VanDerWaalsContact O-OG1 3.13Å; Y463-G467 PolarHBondContact O-N 3.2Å; Y463-G468 PolarHBondContact O-N 3.21Å
464L95.3Very high77.8Confident89 Ų8972.2 Ų72.247%0.46641%0.408SS..Hα-helixtrans-63.6-41.4176.4-70.4173.3000112.1I157 V460 T466 G467I157-L464 HydrophobicContact CB-CD2 4.19Å; I157-L464 HydrophobicContact CG1-CD2 4.46Å; I157-L464 HydrophobicContact CG2-CD2 3.98Å; I157-L464 HydrophobicContact CG2-CG 4.32Å; V460-L464 HydrophobicContact CG1-CD1 3.98Å; V460-L464 HydrophobicContact CG1-CG 4.43Å; V460-L464 WeakPolarHBondContact O-CG 3.45Å; V460-L464 PolarHBondContact O-N 3.07Å; L464-T466 VanDerWaalsContact C-N 3.31Å; L464-T466 PolarHBondContact O-N 2.67Å; L464-G467 PolarHBondContact O-N 3.02Å
465R92.8Very high74.9Confident216 Ų21672 Ų7282%0.81542%0.417SS*.Hα-helixtrans-64.2-35.4177.9-170.8-172.9-58.6167.50.6112.8S461 C462 G467S461-R465 WeakPolarHBondContact O-CB 3.47Å; S461-R465 PolarHBondContact O-N 3.38Å; S461-R465 VanDerWaalsContact O-N 3.08Å; C462-R465 PolarHBondContact O-N 3.45Å; R465-G467 PolarHBondContact O-N 3.05Å
466T85.3Confident72.1Confident40 Ų4073.7 Ų73.725%0.24543%0.43CS..THydrogen-bonded Turntrans-82-2.1179.653.10000112.8H169 C462 Y463 L464 G468 T469H169-T466 PolarHBondContact ND1-OG1 2.84Å; C462-T466 WeakPolarHBondContact O-CG2 3.26Å; C462-T466 PolarHBondContact O-N 3.07Å; C462-T466 VanDerWaalsContact O-N 3.11Å; C462-T466 PolarHBondContact O-OG1 3.25Å; Y463-T466 PolarHBondContact O-N 2.88Å; Y463-T466 PolarHBondContact O-OG1 3.09Å; Y463-T466 VanDerWaalsContact O-OG1 3.13Å; L464-T466 VanDerWaalsContact C-N 3.31Å; L464-T466 PolarHBondContact O-N 2.67Å; T466-G468 PolarHBondContact O-N 2.9Å; T466-G468 VanDerWaalsContact O-N 3.12Å; T466-T469 PolarHBondContact O-N 3.41Å; T466-T469 PolarHBondContact O-OG1 2.64Å
467G70.4Confident68.9Low56 Ų5679.2 Ų79.258%0.57747%0.466SS*.THydrogen-bonded Turntrans6215.8-179.900000114.1Y463 L464 R465 T469Y463-G467 PolarHBondContact O-N 3.2Å; L464-G467 PolarHBondContact O-N 3.02Å; R465-G467 PolarHBondContact O-N 3.05Å; G467-T469 PolarHBondContact O-N 3.04Å
468G61.6Low65.9Low25 Ų2581 Ų8126%0.25848%0.478SS..THydrogen-bonded Turntrans63.8-3.7-164.300000114.4Y463 T466Y463-G468 PolarHBondContact O-N 3.21Å; T466-G468 PolarHBondContact O-N 2.9Å; T466-G468 VanDerWaalsContact O-N 3.12Å
469T52.9Low62.9Low100 Ų10079.6 Ų79.661%0.61348%0.481SS*.PPolyproline II helixtrans-89.3146.9-18046.50000112T466 G467T466-T469 PolarHBondContact O-N 3.41Å; T466-T469 PolarHBondContact O-OG1 2.64Å; G467-T469 PolarHBondContact O-N 3.04Å
470L45.9Very low60Low61 Ų6184.6 Ų84.632%0.31952%0.517SS..PPolyproline II helixtrans-70.4145.8-176.6-66.9160.8000110.9N472 L475L470-N472 PolarHBondContact O-N 3.38Å; L470-L475 HydrophobicContact CD1-CD2 3.87Å; L470-L475 HydrophobicContact CD1-CG 3.94Å
471P39.3Very low57.2Low93 Ų9389.9 Ų89.960%0.60454%0.543SS*.PPolyproline II helixtrans-61.3123.9152.2-7.622.3000107.9G473 S474P471-G473 PolarHBondContact O-N 3.3Å; P471-S474 PolarHBondContact O-OG 3.26Å
472N35Very low54.3Low177 Ų17792 Ų9295%0.94755%0.549SS*.THydrogen-bonded Turntrans-49.8107.4175-77-22.3000109.5L470L470-N472 PolarHBondContact O-N 3.38Å
473G40.4Very low51.2Low85 Ų8594.1 Ų94.188%0.87657%0.568SS**THydrogen-bonded Turntrans140.60.3-178.900000116.6P471P471-G473 PolarHBondContact O-N 3.3Å
474S38.3Very low48.1Very low49 Ų4996.6 Ų96.634%0.34359%0.593SS.*  trans-130.227.9-171.852.90000115.3P471P471-S474 PolarHBondContact O-OG 3.26Å
475L36.9Very low45.2Very low138 Ų138100.1 Ų100.172%0.72361%0.607SS**PPolyproline II helixtrans-76129161.7-79.6162.4000108.4L470L470-L475 HydrophobicContact CD1-CD2 3.87Å; L470-L475 HydrophobicContact CD1-CG 3.94Å
476P38.5Very low42.3Very low82 Ų82100.4 Ų100.453%0.53261%0.608SS.*PPolyproline II helixtrans-58.6139.7159.826.3-29.9000107.5L478P476-L478 PolarHBondContact O-N 3.48Å; P476-L478 VanDerWaalsContact O-N 3.12Å
477P33.1Very low39.7Very low120 Ų120106.5 Ų106.578%0.77963%0.634SS**PPolyproline II helixtrans-52.8127.4165.922.4-29.9000107
478L33.8Very low37.8Very low139 Ų139112.5 Ų112.573%0.72865%0.647SS**PPolyproline II helixtrans-46127.4168.4-87.9146.3000107.2P476 S480 L482P476-L478 PolarHBondContact O-N 3.48Å; P476-L478 VanDerWaalsContact O-N 3.12Å; L478-S480 PolarHBondContact O-N 2.81Å; L478-L482 HydrophobicContact CD2-CD1 3.91Å
479P35.7Very low36.3Very low88 Ų88122.9 Ų122.957%0.57168%0.678SS**PPolyproline II helixtrans-52.5130.2171.9-21.930.2000108.1I481 L482P479-I481 PolarHBondContact O-N 2.69Å; P479-L482 PolarHBondContact O-N 2.86Å
480S38.2Very low35.3Very low106 Ų106121.4 Ų121.474%0.74168%0.676SS**THydrogen-bonded Turntrans-54.9217948.80000115.1L478L478-S480 PolarHBondContact O-N 2.81Å
481I39Very low34.7Very low117 Ų117127.9 Ų127.960%0.670%0.702SS**THydrogen-bonded Turntrans-84-15.4-178.8-56.1172.8000112P479P479-I481 PolarHBondContact O-N 2.69Å
482L34.9Very low34.4Very low109 Ų109131.2 Ų131.257%0.57171%0.714SS**SBendtrans-91.1-10174-75.4169.3000114.1L478 P479L478-L482 HydrophobicContact CD2-CD1 3.91Å; P479-L482 PolarHBondContact O-N 2.86Å
483A31.5Very low34.2Very low64 Ų64133.1 Ų133.153%0.52971%0.714SS.*G310 helixtrans-74.9-28.6177.100000112.3E485 R486A483-E485 PolarHBondContact O-N 2.86Å; A483-R486 PolarHBondContact O-N 2.87Å
484A32.5Very low33.5Very low75 Ų75138.5 Ų138.562%0.6272%0.717SS**G310 helixtrans-70.8-13.1-177.200000114.5
485E34.5Very low32.9Very low162 Ų162140.7 Ų140.776%0.75774%0.738SS**G310 helixtrans-93.82177.6-71.4-175.7167.500113.4A483A483-E485 PolarHBondContact O-N 2.86Å
486R31.2Very low32.7Very low223 Ų223144.4 Ų144.484%0.84277%0.766SS**SBendtrans-108.9-12.1-178.5-118.1179.9-178.5-176-0.5115.4A483A483-R486 PolarHBondContact O-N 2.87Å
487E30.3Very low32.4Very low167 Ų167147.5 Ų147.578%0.7878%0.777SS**SBendtrans-94.3-10-179.3-80.5-179.3156.900114.8
488E31.3Very low32.3Very low183 Ų183148.9 Ų148.986%0.85578%0.777SS**THydrogen-bonded Turntrans-91.98.3-179.8-97.9-174.817000115.4
489R29.8Very low32.3Very low242 Ų242149.5 Ų149.591%0.91378%0.78SS**THydrogen-bonded Turntrans-117.217.6179-77.7-172.6176.4176.2-0115.2
490A32.1Very low32.1Very low69 Ų69153.1 Ų153.157%0.5779%0.792SS**SBendtrans-120.932.2-177.400000113.9
491F31.8Very low31.7Very low197 Ų197156.1 Ų156.186%0.86480%0.796SS**  trans-148.295.2164.6-73.4-75.7000109.8
492L34.2Very low31.2Very low164 Ų164158.7 Ų158.786%0.85981%0.809SS**  trans172.975.7151.9-95.8162.9000107.5
493F29.4Very low30.9Very low216 Ų216162.2 Ų162.295%0.94783%0.826SS**  trans-169.595.2148.9-86.5-63.2000107.8
494Q26.5Very low30.9Very low198 Ų198169.8 Ų169.893%0.92585%0.848SS**  trans-142.4117.9151.2-132.2170.4-4.800108.5
495A25.6Very low30.7Very low96 Ų96177.7 Ų177.779%0.79387%0.867SS**  trans-70.2132.8167.400000109.2
496V32.3Very low30.4Very low215 Ų215179.1 Ų179.1100%1.30388%0.877SS**  -172.50107.3161.40000106.4

Retrieved 496 of 496 residues in 301.6 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).