A0A087X6N3_POEFO Loading...

Spindle assembly abnormal protein 6 homolog

AlphaFold DB , UniProt , Accession A0A087X6N3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 550 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
1M75.9Confident91.6Very high152 Ų15262.2 Ų62.275%0.74930%0.304SS*.  0135.10-71.9176.4-73.900106.9E30 L31 L42M1-E30 HydrophobicContact CB-CB 4.45Å; M1-L31 CarbonylContact C-O 3.6Å; M1-L31 WeakPolarHBondContact CA-O 3.44Å; M1-L42 HydrophobicContact SD-CD2 4.45Å
2E86.6Confident91.6Very high119 Ų11959.3 Ų59.356%0.55629%0.29SS*.EExtended strand (participates in β ladder)trans-102.3123.9178.6-179.3176.8-166.100107.6L4 E30 L31E2-L4 HydrophobicContact CG-CD2 4.03Å; E2-L4 PolarHBondContact O-N 3.28Å; E2-E30 CarbonylContact O-C 3.59Å; E2-E30 WeakPolarHBondContact O-CA 3.45Å; E2-L31 HydrophobicContact CB-CB 4.48Å; E2-L31 PolarHBondContact N-O 2.79Å; E2-L31 PolarHBondContact O-N 2.86Å
3E90.4Very high91.4Very high118 Ų11855.6 Ų55.655%0.55127%0.273SS*.EExtended strand (participates in β ladder)trans-80113.1177.2-170.9-175.991.800108.9N6E3-N6 HydrophobicContact CG-CB 4.02Å; E3-N6 VanDerWaalsContact OE1-CB 3.28Å; E3-N6 WeakPolarHBondContact OE1-CB 3.41Å; E3-N6 WeakPolarHBondContact OE2-CB 3.33Å; E3-N6 PolarHBondContact OE2-ND2 2.75Å
4L93.8Very high91Very high62 Ų6257.9 Ų57.933%0.32528%0.28SS..EExtended strand (participates in β ladder)trans-92.5-26.9178.6-58.6-177.6000112.1E2 I29 L31 L41 P81 I85E2-L4 HydrophobicContact CG-CD2 4.03Å; E2-L4 PolarHBondContact O-N 3.28Å; L4-I29 HydrophobicContact CB-CG2 4.38Å; L4-I29 HydrophobicContact CD1-CG2 4.47Å; L4-I29 PolarHBondContact N-O 3.07Å; L4-L31 HydrophobicContact CD1-CB 3.96Å; L4-L31 HydrophobicContact CG-CB 4.24Å; L4-L41 HydrophobicContact CD1-CD1 4.34Å; L4-P81 HydrophobicContact CD1-CB 3.78Å; L4-P81 HydrophobicContact CD1-CG 4.48Å; L4-I85 HydrophobicContact CB-CD1 3.79Å
5F95.9Very high90.2Very high12 Ų1259.1 Ų59.15%0.05329%0.285CS..EExtended strand (participates in β ladder)trans-158.1137179.7-173-90.7000110.5K7 L9 V27 M28 I29 I85 L88F5-K7 HydrophobicContact CE1-CB 3.76Å; F5-K7 HydrophobicContact CE1-CD 4.43Å; F5-K7 HydrophobicContact CE1-CG 4.05Å; F5-K7 HydrophobicContact CE2-CD 3.77Å; F5-K7 HydrophobicContact CE2-CG 4.06Å; F5-K7 HydrophobicContact CZ-CB 3.77Å; F5-K7 HydrophobicContact CZ-CD 3.64Å; F5-K7 HydrophobicContact CZ-CG 3.76Å; F5-L9 HydrophobicContact CE1-CD1 4.11Å; F5-L9 HydrophobicContact CZ-CD1 4.13Å; F5-L9 HydrophobicContact CZ-CD2 4.44Å; F5-V27 WeakPolarHBondContact CD1-O 3.42Å; F5-V27 HydrophobicContact CE1-CB 4.19Å; F5-M28 CarbonylContact O-C 3.48Å; F5-M28 VanDerWaalsContact O-CA 3.28Å; F5-M28 WeakPolarHBondContact O-CA 3.43Å; F5-I29 HydrophobicContact CB-CB 4.06Å; F5-I29 HydrophobicContact CB-CD1 4.11Å; F5-I29 HydrophobicContact CB-CG1 4.27Å; F5-I29 HydrophobicContact CG-CD1 4.49Å; F5-I29 PolarHBondContact N-O 3.04Å; F5-I29 PolarHBondContact O-N 3.05Å; F5-I85 HydrophobicContact CB-CD1 3.95Å; F5-I85 HydrophobicContact CB-CG1 3.9Å; F5-I85 HydrophobicContact CD2-CG1 4.19Å; F5-I85 HydrophobicContact CD2-CG2 3.86Å; F5-I85 HydrophobicContact CE2-CG2 4.39Å; F5-I85 HydrophobicContact CG-CG1 4.27Å; F5-L88 HydrophobicContact CD1-CD1 4.13Å; F5-L88 HydrophobicContact CE1-CB 4.41Å; F5-L88 HydrophobicContact CE1-CD1 3.9Å; F5-L88 HydrophobicContact CE2-CB 4.34Å; F5-L88 HydrophobicContact CZ-CB 3.94Å; F5-L88 HydrophobicContact CZ-CD1 4.23Å
6N94.4Very high88.7Confident50 Ų5062.8 Ų62.827%0.26730%0.299SS..EExtended strand (participates in β ladder)trans-151.9100.9172.7-176.5-13.4000108.6E3 R26 V27 M28E3-N6 HydrophobicContact CG-CB 4.02Å; E3-N6 VanDerWaalsContact OE1-CB 3.28Å; E3-N6 WeakPolarHBondContact OE1-CB 3.41Å; E3-N6 WeakPolarHBondContact OE2-CB 3.33Å; E3-N6 PolarHBondContact OE2-ND2 2.75Å; N6-R26 WeakPolarHBondContact OD1-CD 3.35Å; N6-R26 PolarHBondContact OD1-NH1 2.64Å; N6-V27 WeakPolarHBondContact CA-O 3.38Å; N6-M28 HydrophobicContact CB-CG 4.16Å
7K95.3Very high87.2Confident77 Ų7767.6 Ų67.634%0.33533%0.327SS..EExtended strand (participates in β ladder)trans-144.1149.3178.2-63.6-170.7-175.9176.40111.1F5 L9 R26 V27 N89F5-K7 HydrophobicContact CE1-CB 3.76Å; F5-K7 HydrophobicContact CE1-CD 4.43Å; F5-K7 HydrophobicContact CE1-CG 4.05Å; F5-K7 HydrophobicContact CE2-CD 3.77Å; F5-K7 HydrophobicContact CE2-CG 4.06Å; F5-K7 HydrophobicContact CZ-CB 3.77Å; F5-K7 HydrophobicContact CZ-CD 3.64Å; F5-K7 HydrophobicContact CZ-CG 3.76Å; K7-L9 HydrophobicContact CB-CD2 4.1Å; K7-L9 HydrophobicContact CB-CG 4.48Å; K7-R26 CarbonylContact O-C 3.56Å; K7-R26 WeakPolarHBondContact O-CA 3.43Å; K7-V27 PolarHBondContact N-O 2.82Å; K7-V27 VanDerWaalsContact N-O 3.15Å; K7-V27 PolarHBondContact O-N 3.39Å; K7-N89 PolarHBondContact NZ-OD1 3.49Å
8V95Very high86Confident51 Ų5168.1 Ų68.131%0.30934%0.338SS..EExtended strand (participates in β ladder)trans-81.8124.9165.7-1760000108.5N24 R26V8-N24 HydrophobicContact CG1-CB 3.72Å; V8-R26 HydrophobicContact CG2-CB 4.23Å
9L94.7Very high85.2Confident2 Ų274.2 Ų74.21%0.0137%0.365CS..EExtended strand (participates in β ladder)trans-124.8148.5-178.6-55.4-179.4000110.2F5 K7 V11 V25 V27 L88 N92 L104F5-L9 HydrophobicContact CE1-CD1 4.11Å; F5-L9 HydrophobicContact CZ-CD1 4.13Å; F5-L9 HydrophobicContact CZ-CD2 4.44Å; K7-L9 HydrophobicContact CB-CD2 4.1Å; K7-L9 HydrophobicContact CB-CG 4.48Å; L9-V11 PolarHBondContact O-N 2.89Å; L9-V25 PolarHBondContact N-O 2.93Å; L9-V25 PolarHBondContact O-N 2.86Å; L9-V27 HydrophobicContact CB-CG2 4.4Å; L9-V27 HydrophobicContact CD1-CB 4.18Å; L9-V27 HydrophobicContact CD1-CG2 3.75Å; L9-V27 HydrophobicContact CG-CG2 4.18Å; L9-L88 HydrophobicContact CD1-CB 4.14Å; L9-L88 HydrophobicContact CD1-CD2 3.96Å; L9-L88 HydrophobicContact CD1-CG 4.46Å; L9-N92 HydrophobicContact CD2-CB 3.69Å; L9-N92 WeakPolarHBondContact CD2-OD1 3.1Å; L9-L104 HydrophobicContact CB-CD1 3.74Å; L9-L104 HydrophobicContact CD1-CD1 3.67Å; L9-L104 HydrophobicContact CG-CD1 4.34Å
10Q92.9Very high85Confident40 Ų4074.5 Ų74.519%0.18737%0.366CS..EExtended strand (participates in β ladder)trans-76.8120.7173.4-163.6-178.5107.700110.8K22 Q95Q10-K22 HydrophobicContact CG-CB 4.28Å; Q10-K22 HydrophobicContact CG-CD 4.46Å; Q10-K22 HydrophobicContact CG-CG 4.4Å; Q10-Q95 HydrophobicContact CB-CB 3.99Å; Q10-Q95 VanDerWaalsContact N-OE1 3.13Å; Q10-Q95 PolarHBondContact NE2-O 2.94Å
11V92.9Very high85.1Confident1 Ų178.1 Ų78.11%0.00638%0.375CS..EExtended strand (participates in β ladder)trans-124135.2-177.2-176.10000110.4L9 V13 A23 V25 L104 L106 F119L9-V11 PolarHBondContact O-N 2.89Å; V11-V13 HydrophobicContact CG1-CG2 4.36Å; V11-V13 PolarHBondContact O-N 2.82Å; V11-A23 PolarHBondContact N-O 2.86Å; V11-A23 PolarHBondContact O-N 2.81Å; V11-V25 HydrophobicContact CB-CB 4.36Å; V11-V25 HydrophobicContact CB-CG2 4.02Å; V11-V25 HydrophobicContact CG2-CB 3.85Å; V11-V25 HydrophobicContact CG2-CG2 4.08Å; V11-L104 HydrophobicContact CB-CB 4.3Å; V11-L104 HydrophobicContact CG1-CB 4.16Å; V11-L104 HydrophobicContact CG2-CB 3.9Å; V11-L104 HydrophobicContact CG2-CD1 3.95Å; V11-L106 HydrophobicContact CG1-CB 3.67Å; V11-F119 HydrophobicContact CG1-CE2 4.24Å; V11-F119 HydrophobicContact CG2-CE2 4.17Å
12H91.1Very high85.7Confident28 Ų2876.4 Ų76.413%0.1336%0.364CS..EExtended strand (participates in β ladder)trans-83.499.9173.8-6673.6000109E20 R21 K22 L103 L104 H105 L106H12-E20 HydrophobicContact CB-CG 4.1Å; H12-R21 CarbonylContact C-O 3.58Å; H12-K22 WeakPolarHBondContact NE2-CE 3.26Å; H12-L103 WeakPolarHBondContact CE1-CD2 3.45Å; H12-L104 PolarHBondContact N-O 2.89Å; H12-L104 PolarHBondContact ND1-O 2.57Å; H12-H105 CarbonylContact O-C 3.53Å; H12-H105 WeakPolarHBondContact O-CA 3.33Å; H12-L106 PolarHBondContact O-N 3.19Å
13V89Confident85.9Confident11 Ų1171.3 Ų71.37%0.06734%0.342CS..EExtended strand (participates in β ladder)trans-89.9125.7-178.2-175.40000109.5V11 R21 A23 L106V11-V13 HydrophobicContact CG1-CG2 4.36Å; V11-V13 PolarHBondContact O-N 2.82Å; V13-R21 HydrophobicContact CB-CG 4.11Å; V13-R21 PolarHBondContact N-O 2.92Å; V13-R21 PolarHBondContact O-N 2.89Å; V13-A23 HydrophobicContact CG2-CB 3.79Å; V13-L106 WeakPolarHBondContact CA-O 3.35Å; V13-L106 HydrophobicContact CG2-CB 4.35Å; V13-L106 HydrophobicContact CG2-CD2 4.37Å
14K86Confident86Confident87 Ų8770.5 Ų70.538%0.37834%0.342SS..EExtended strand (participates in β ladder)trans-124.2123.3179.2-165171.6-157.1141.40110.4E20 L106 T107 C108K14-E20 HydrophobicContact CB-CG 4.49Å; K14-E20 IonicContact NZ-OE2 2.82Å; K14-E20 PolarHBondContact NZ-OE2 2.81Å; K14-L106 PolarHBondContact N-O 2.68Å; K14-T107 WeakPolarHBondContact O-CA 3.42Å; K14-C108 PolarHBondContact O-N 3.31Å
15H79.3Confident86Confident76 Ų7667.6 Ų67.635%0.35233%0.326SS..EExtended strand (participates in β ladder)trans-101.7157.4169.3-167.1-104.3000109.1D17 C18H15-D17 PolarHBondContact O-N 3Å; H15-C18 HydrophobicContact CB-CB 4.05Å; H15-C18 PolarHBondContact O-N 3.33Å
16K65.8Low86Confident119 Ų11970 Ų7052%0.51734%0.335SS..THydrogen-bonded Turntrans-50.5-37.6-171.7-78.7-175.8172.6176.30114.4S110K16-S110 PolarHBondContact NZ-O 2.78Å
17D63.1Low86.1Confident144 Ų14467.6 Ų67.677%0.7732%0.322SS*.THydrogen-bonded Turntrans-120.813.8-170.2-42.9-81.1000113H15H15-D17 PolarHBondContact O-N 3Å
18C65.4Low86.1Confident76 Ų7664.3 Ų64.351%0.51431%0.308SS..SBendtrans-119.1153.5-177.9-57.90000112H15H15-C18 HydrophobicContact CB-CB 4.05Å; H15-C18 PolarHBondContact O-N 3.33Å
19E72.4Confident86.1Confident185 Ų18561.9 Ų61.986%0.86429%0.293SS*.  trans-62155.1167.6-63.8-171.9156.800111.8R21E19-R21 PolarHBondContact O-N 2.82Å
20E80.4Confident86.1Confident80 Ų8062.9 Ų62.937%0.37430%0.298SS..  trans-79113.6-175.1-173.2155.1-17400110.4H12 K14 H105H12-E20 HydrophobicContact CB-CG 4.1Å; K14-E20 HydrophobicContact CB-CG 4.49Å; K14-E20 IonicContact NZ-OE2 2.82Å; K14-E20 PolarHBondContact NZ-OE2 2.81Å; E20-H105 IonicContact OE1-CE1 3.31Å; E20-H105 PolarHBondContact OE1-CE1 2.87Å; E20-H105 VanDerWaalsContact OE1-CE1 3.31Å; E20-H105 IonicContact OE1-ND1 2.77Å; E20-H105 PolarHBondContact OE1-ND1 2.86Å
21R86.9Confident86Confident151 Ų15162.2 Ų62.257%0.5730%0.296SS*.EExtended strand (participates in β ladder)trans-107.3137-173.872.8-179.2-167.3167.17.5111.5H12 V13 E19H12-R21 CarbonylContact C-O 3.58Å; V13-R21 HydrophobicContact CB-CG 4.11Å; V13-R21 PolarHBondContact N-O 2.92Å; V13-R21 PolarHBondContact O-N 2.89Å; E19-R21 PolarHBondContact O-N 2.82Å
22K88.6Confident85.7Confident115 Ų11563.8 Ų63.850%0.531%0.307SS..EExtended strand (participates in β ladder)trans-71.7130.6165-71.9177.5165.7-151.40109.2Q10 H12Q10-K22 HydrophobicContact CG-CB 4.28Å; Q10-K22 HydrophobicContact CG-CD 4.46Å; Q10-K22 HydrophobicContact CG-CG 4.4Å; H12-K22 WeakPolarHBondContact NE2-CE 3.26Å
23A90.6Very high85.2Confident13 Ų1367 Ų6711%0.10733%0.329CS..EExtended strand (participates in β ladder)trans-135.2151.5174.400000110.4V11 V13 V25V11-A23 PolarHBondContact N-O 2.86Å; V11-A23 PolarHBondContact O-N 2.81Å; V13-A23 HydrophobicContact CG2-CB 3.79Å; A23-V25 HydrophobicContact CB-CG2 4.35Å
24N93Very high84.5Confident101 Ų10168.3 Ų68.354%0.5434%0.337SS..EExtended strand (participates in β ladder)trans-96.197.7-179.8-74.8-7.6000109.2V8V8-N24 HydrophobicContact CG1-CB 3.72Å
25V94.3Very high83.7Confident1 Ų170.4 Ų70.41%0.00636%0.359CS..EExtended strand (participates in β ladder)trans-105.5126.6-173.2-179.60000109.5L9 V11 A23 V27 L45 T46 F53L9-V25 PolarHBondContact N-O 2.93Å; L9-V25 PolarHBondContact O-N 2.86Å; V11-V25 HydrophobicContact CB-CB 4.36Å; V11-V25 HydrophobicContact CB-CG2 4.02Å; V11-V25 HydrophobicContact CG2-CB 3.85Å; V11-V25 HydrophobicContact CG2-CG2 4.08Å; A23-V25 HydrophobicContact CB-CG2 4.35Å; V25-V27 PolarHBondContact O-N 3.03Å; V25-L45 HydrophobicContact CG1-CB 3.86Å; V25-L45 HydrophobicContact CG1-CD2 4.22Å; V25-T46 CarbonylContact C-O 3.55Å; V25-T46 WeakPolarHBondContact CG1-O 3.17Å; V25-F53 HydrophobicContact CG1-CE1 4.05Å; V25-F53 HydrophobicContact CG2-CE1 4.46Å; V25-F53 HydrophobicContact CG2-CZ 4.5Å
26R95.4Very high83.2Confident61 Ų6172.5 Ų72.523%0.2338%0.377CS..EExtended strand (participates in β ladder)trans-73114.4170.3-179.3175.1-62.7-81.5-4.4109.4N6 K7 V8 M28 L45 T46 D48N6-R26 WeakPolarHBondContact OD1-CD 3.35Å; N6-R26 PolarHBondContact OD1-NH1 2.64Å; K7-R26 CarbonylContact O-C 3.56Å; K7-R26 WeakPolarHBondContact O-CA 3.43Å; V8-R26 HydrophobicContact CG2-CB 4.23Å; R26-M28 HydrophobicContact CG-CE 4.35Å; R26-M28 HydrophobicContact CG-CG 4.11Å; R26-L45 WeakPolarHBondContact O-CA 3.48Å; R26-T46 WeakPolarHBondContact CB-O 3.28Å; R26-T46 PolarHBondContact N-O 3.41Å; R26-T46 PolarHBondContact O-N 2.93Å; R26-D48 IonicContact CZ-OD1 3.39Å; R26-D48 IonicContact CZ-OD2 2.82Å; R26-D48 IonicContact NE-OD1 3.17Å; R26-D48 PolarHBondContact NE-OD1 3.02Å; R26-D48 IonicContact NE-OD2 2.66Å; R26-D48 IonicContact NH2-OD1 3.62Å; R26-D48 PolarHBondContact NH2-OD1 2.84Å; R26-D48 IonicContact NH2-OD2 3.66Å; R26-D48 PolarHBondContact NH2-OD2 2.59Å
27V96.3Very high83.2Confident0 Ų075 Ų750%039%0.39CS..EExtended strand (participates in β ladder)trans-97.1120.7172.8-171.60000108.1F5 N6 K7 L9 V25 L45 L88 F119F5-V27 WeakPolarHBondContact CD1-O 3.42Å; F5-V27 HydrophobicContact CE1-CB 4.19Å; N6-V27 WeakPolarHBondContact CA-O 3.38Å; K7-V27 PolarHBondContact N-O 2.82Å; K7-V27 VanDerWaalsContact N-O 3.15Å; K7-V27 PolarHBondContact O-N 3.39Å; L9-V27 HydrophobicContact CB-CG2 4.4Å; L9-V27 HydrophobicContact CD1-CB 4.18Å; L9-V27 HydrophobicContact CD1-CG2 3.75Å; L9-V27 HydrophobicContact CG-CG2 4.18Å; V25-V27 PolarHBondContact O-N 3.03Å; V27-L45 HydrophobicContact CB-CD2 4.15Å; V27-L45 HydrophobicContact CG1-CD2 3.93Å; V27-L45 HydrophobicContact CG2-CD2 3.67Å; V27-L88 HydrophobicContact CG1-CD1 3.77Å; V27-F119 HydrophobicContact CG2-CZ 4.32Å
28M95.3Very high83.8Confident8 Ų873.3 Ų73.34%0.03937%0.373CS..EExtended strand (participates in β ladder)trans-114.7139173.4-66.6170.4-78.500110F5 N6 R26 K44 T46 Y148F5-M28 CarbonylContact O-C 3.48Å; F5-M28 VanDerWaalsContact O-CA 3.28Å; F5-M28 WeakPolarHBondContact O-CA 3.43Å; N6-M28 HydrophobicContact CB-CG 4.16Å; R26-M28 HydrophobicContact CG-CE 4.35Å; R26-M28 HydrophobicContact CG-CG 4.11Å; M28-K44 HydrophobicContact CB-CB 4.27Å; M28-K44 HydrophobicContact CE-CB 4.1Å; M28-K44 HydrophobicContact CE-CD 4.41Å; M28-K44 PolarHBondContact N-O 2.93Å; M28-K44 PolarHBondContact O-N 2.62Å; M28-T46 HydrophobicContact CE-CG2 3.63Å; M28-T46 WeakPolarHBondContact CE-OG1 3.36Å; M28-Y148 HydrophobicContact CE-CE2 4.1Å
29I95.8Very high84.7Confident0 Ų075.6 Ų75.60%037%0.371CS..EExtended strand (participates in β ladder)trans-127.1113.1173.2-59170.6000107.3L4 F5 L41 F84 I85 L88L4-I29 HydrophobicContact CB-CG2 4.38Å; L4-I29 HydrophobicContact CD1-CG2 4.47Å; L4-I29 PolarHBondContact N-O 3.07Å; F5-I29 HydrophobicContact CB-CB 4.06Å; F5-I29 HydrophobicContact CB-CD1 4.11Å; F5-I29 HydrophobicContact CB-CG1 4.27Å; F5-I29 HydrophobicContact CG-CD1 4.49Å; F5-I29 PolarHBondContact N-O 3.04Å; F5-I29 PolarHBondContact O-N 3.05Å; I29-L41 HydrophobicContact CG2-CD1 3.57Å; I29-L41 HydrophobicContact CG2-CG 4.23Å; I29-F84 HydrophobicContact CD1-CD1 3.44Å; I29-F84 VanDerWaalsContact CD1-CD1 3.44Å; I29-F84 HydrophobicContact CD1-CE1 3.49Å; I29-F84 VanDerWaalsContact CD1-CE1 3.49Å; I29-F84 HydrophobicContact CD1-CG 4.23Å; I29-F84 HydrophobicContact CD1-CZ 4.34Å; I29-F84 HydrophobicContact CG1-CD1 4.26Å; I29-F84 HydrophobicContact CG1-CE1 3.96Å; I29-I85 HydrophobicContact CD1-CD1 4.32Å; I29-I85 HydrophobicContact CD1-CG1 3.63Å; I29-L88 HydrophobicContact CD1-CD1 3.68Å
30E93.8Very high85.5Confident23 Ų2368.6 Ų68.611%0.10734%0.339CS..EExtended strand (participates in β ladder)trans-113.9135.2179.5-74164.7-139.600110M1 E2 L42 K44M1-E30 HydrophobicContact CB-CB 4.45Å; E2-E30 CarbonylContact O-C 3.59Å; E2-E30 WeakPolarHBondContact O-CA 3.45Å; E30-L42 HydrophobicContact CB-CB 4.42Å; E30-L42 PolarHBondContact N-O 2.83Å; E30-L42 PolarHBondContact O-N 2.8Å; E30-K44 WeakPolarHBondContact OE1-CE 3.44Å; E30-K44 IonicContact OE1-NZ 2.64Å; E30-K44 PolarHBondContact OE1-NZ 2.84Å; E30-K44 WeakPolarHBondContact OE2-CE 3.4Å; E30-K44 IonicContact OE2-NZ 3.05Å; E30-K44 PolarHBondContact OE2-NZ 2.88Å
31L91.6Very high86.1Confident26 Ų2664.8 Ų64.814%0.13632%0.322CS..EExtended strand (participates in β ladder)trans-97.5126.6169.9-171.264.3000109.9M1 E2 L4 R39 L41M1-L31 CarbonylContact C-O 3.6Å; M1-L31 WeakPolarHBondContact CA-O 3.44Å; E2-L31 HydrophobicContact CB-CB 4.48Å; E2-L31 PolarHBondContact N-O 2.79Å; E2-L31 PolarHBondContact O-N 2.86Å; L4-L31 HydrophobicContact CD1-CB 3.96Å; L4-L31 HydrophobicContact CG-CB 4.24Å; L31-R39 HydrophobicContact CD1-CB 4.46Å; L31-L41 HydrophobicContact CD1-CD1 4.22Å
32S85.5Confident86.5Confident35 Ų3559.5 Ų59.525%0.24530%0.304CS..EExtended strand (participates in β ladder)trans-107.5125174.4-162.30000110.3R39 D40S32-R39 WeakPolarHBondContact O-CA 3.31Å; S32-D40 PolarHBondContact N-O 2.93Å; S32-D40 PolarHBondContact O-N 2.83Å
33T81.4Confident86.8Confident95 Ų9554 Ų5458%0.58328%0.28SS*.EExtended strand (participates in β ladder)trans-104.6108171.955.70000108.8
34T74.6Confident87Confident38 Ų3854.6 Ų54.623%0.23328%0.28CS..  trans-72.7160.5176.966.10000111.4V36 H37 R38 D40T34-V36 PolarHBondContact O-N 3.36Å; T34-H37 PolarHBondContact O-N 3Å; T34-R38 HydrophobicContact CG2-CB 4.45Å; T34-R38 PolarHBondContact N-O 2.81Å; T34-R38 WeakPolarHBondContact OG1-CA 3.4Å; T34-R38 WeakPolarHBondContact OG1-CB 3.36Å; T34-R38 PolarHBondContact OG1-N 2.77Å; T34-R38 PolarHBondContact OG1-O 2.85Å; T34-D40 VanDerWaalsContact CG2-OD2 3.31Å; T34-D40 WeakPolarHBondContact CG2-OD2 3.39Å
35P68.1Low87.1Confident131 Ų13149.8 Ų49.885%0.85126%0.255SS*.THydrogen-bonded Turntrans-60.4-14.8176.1-25.235.6000115.1H37P35-H37 VanDerWaalsContact C-N 3.29Å
36V70Confident87.1Confident121 Ų12149.9 Ų49.973%0.73326%0.256SS*.THydrogen-bonded Turntrans-94.917177.8-156.10000111.2T34 R38T34-V36 PolarHBondContact O-N 3.36Å; V36-R38 PolarHBondContact O-N 3.41Å
37H65.9Low86.9Confident170 Ų17048.1 Ų48.179%0.78725%0.251SS*.SBendtrans581-172.6-59.1-59.1000116.4T34 P35 R39T34-H37 PolarHBondContact O-N 3Å; P35-H37 VanDerWaalsContact C-N 3.29Å; H37-R39 PolarHBondContact O-N 3.46Å
38R75.4Confident86.6Confident109 Ų10952.6 Ų52.641%0.41128%0.275SS..  trans-56.9128.8167.9-129.5-171.9-168.187.2-9.1108.6T34 V36 E62T34-R38 HydrophobicContact CG2-CB 4.45Å; T34-R38 PolarHBondContact N-O 2.81Å; T34-R38 WeakPolarHBondContact OG1-CA 3.4Å; T34-R38 WeakPolarHBondContact OG1-CB 3.36Å; T34-R38 PolarHBondContact OG1-N 2.77Å; T34-R38 PolarHBondContact OG1-O 2.85Å; V36-R38 PolarHBondContact O-N 3.41Å; R38-E62 IonicContact CZ-OE1 3.15Å; R38-E62 IonicContact CZ-OE2 3.61Å; R38-E62 IonicContact NE-OE2 3.63Å; R38-E62 IonicContact NH2-OE1 2.71Å; R38-E62 PolarHBondContact NH2-OE1 2.79Å; R38-E62 IonicContact NH2-OE2 2.75Å; R38-E62 PolarHBondContact NH2-OE2 2.76Å
39R83.6Confident86.4Confident125 Ų12558 Ų5847%0.47231%0.308SS..EExtended strand (participates in β ladder)trans-103.7123177.5-67.6179.8-175.7-173.50.6108.3L31 S32 H37 F77L31-R39 HydrophobicContact CD1-CB 4.46Å; S32-R39 WeakPolarHBondContact O-CA 3.31Å; H37-R39 PolarHBondContact O-N 3.46Å; R39-F77 HydrophobicContact CB-CE1 3.79Å; R39-F77 WeakPolarHBondContact O-CE1 3.48Å; R39-F77 WeakPolarHBondContact O-CZ 3.4Å
40D89.4Confident86Confident38 Ų3861.2 Ų61.220%0.20333%0.326CS..EExtended strand (participates in β ladder)trans-118.8126177.9-51.9-49.6000108.4S32 T34 S60S32-D40 PolarHBondContact N-O 2.93Å; S32-D40 PolarHBondContact O-N 2.83Å; T34-D40 VanDerWaalsContact CG2-OD2 3.31Å; T34-D40 WeakPolarHBondContact CG2-OD2 3.39Å; D40-S60 WeakPolarHBondContact OD1-CB 3.33Å
41L93.9Very high85.7Confident0 Ų063.6 Ų63.60%034%0.343CS..EExtended strand (participates in β ladder)trans-93.2122.1177.2-173.771.8000109L4 I29 L31 P58 I59 F77 F80 P81L4-L41 HydrophobicContact CD1-CD1 4.34Å; I29-L41 HydrophobicContact CG2-CD1 3.57Å; I29-L41 HydrophobicContact CG2-CG 4.23Å; L31-L41 HydrophobicContact CD1-CD1 4.22Å; L41-P58 CarbonylContact O-C 3.55Å; L41-I59 HydrophobicContact CB-CB 4.42Å; L41-I59 PolarHBondContact N-O 3.04Å; L41-I59 PolarHBondContact O-N 2.83Å; L41-F77 HydrophobicContact CB-CE2 4.2Å; L41-F77 HydrophobicContact CB-CZ 4.06Å; L41-F80 HydrophobicContact CD2-CD1 3.74Å; L41-F80 HydrophobicContact CD2-CE1 3.75Å; L41-P81 HydrophobicContact CD1-CB 3.98Å; L41-P81 HydrophobicContact CD1-CG 3.78Å; L41-P81 HydrophobicContact CD2-CB 4.38Å; L41-P81 HydrophobicContact CD2-CG 4Å; L41-P81 HydrophobicContact CG-CG 4.47Å
42L94.3Very high85.6Confident39 Ų3970.6 Ų70.620%0.20437%0.369CS..EExtended strand (participates in β ladder)trans-109.9108.9-179.4-179.354.3000110.1M1 E30 K44 P58M1-L42 HydrophobicContact SD-CD2 4.45Å; E30-L42 HydrophobicContact CB-CB 4.42Å; E30-L42 PolarHBondContact N-O 2.83Å; E30-L42 PolarHBondContact O-N 2.8Å; L42-K44 HydrophobicContact CD1-CG 4.46Å; L42-K44 HydrophobicContact CG-CG 4.11Å; L42-P58 HydrophobicContact CD1-CB 4.31Å
43V95.3Very high85.8Confident0 Ų070.1 Ų70.10%036%0.362CS..EExtended strand (participates in β ladder)trans-90131.6171-171.90000108.5T56 L57 I59 F84 L135 L137V43-T56 CarbonylContact O-C 3.45Å; V43-T56 WeakPolarHBondContact O-CA 3.46Å; V43-L57 HydrophobicContact CB-CB 4.44Å; V43-L57 PolarHBondContact N-O 2.9Å; V43-L57 PolarHBondContact O-N 2.79Å; V43-I59 HydrophobicContact CG2-CD1 4.46Å; V43-F84 HydrophobicContact CG1-CE1 3.94Å; V43-F84 HydrophobicContact CG1-CZ 4.2Å; V43-F84 HydrophobicContact CG2-CD1 4.49Å; V43-F84 HydrophobicContact CG2-CE1 3.75Å; V43-L135 HydrophobicContact CG2-CD1 4.34Å; V43-L137 HydrophobicContact CG1-CD2 4.38Å
44K94.8Very high86.4Confident25 Ų2565.8 Ų65.811%0.10934%0.336CS..EExtended strand (participates in β ladder)trans-127.6141.9173.6-50.2175.2-172163.40110.2M28 E30 L42 F55 T56M28-K44 HydrophobicContact CB-CB 4.27Å; M28-K44 HydrophobicContact CE-CB 4.1Å; M28-K44 HydrophobicContact CE-CD 4.41Å; M28-K44 PolarHBondContact N-O 2.93Å; M28-K44 PolarHBondContact O-N 2.62Å; E30-K44 WeakPolarHBondContact OE1-CE 3.44Å; E30-K44 IonicContact OE1-NZ 2.64Å; E30-K44 PolarHBondContact OE1-NZ 2.84Å; E30-K44 WeakPolarHBondContact OE2-CE 3.4Å; E30-K44 IonicContact OE2-NZ 3.05Å; E30-K44 PolarHBondContact OE2-NZ 2.88Å; L42-K44 HydrophobicContact CD1-CG 4.46Å; L42-K44 HydrophobicContact CG-CG 4.11Å; K44-F55 CarbonylContact C-O 3.55Å; K44-F55 VanDerWaalsContact CA-O 3.31Å; K44-F55 WeakPolarHBondContact CA-O 3.49Å; K44-T56 HydrophobicContact CG-CG2 4.41Å
45L95.1Very high87.3Confident0 Ų064.6 Ų64.60%033%0.327CS..EExtended strand (participates in β ladder)trans-118.3124.4168.5-55.4175.2000108V25 R26 V27 F53 L54 F55 L106 F119 L137V25-L45 HydrophobicContact CG1-CB 3.86Å; V25-L45 HydrophobicContact CG1-CD2 4.22Å; R26-L45 WeakPolarHBondContact O-CA 3.48Å; V27-L45 HydrophobicContact CB-CD2 4.15Å; V27-L45 HydrophobicContact CG1-CD2 3.93Å; V27-L45 HydrophobicContact CG2-CD2 3.67Å; L45-F53 HydrophobicContact CB-CE1 4.36Å; L45-L54 WeakPolarHBondContact O-CA 3.34Å; L45-F55 HydrophobicContact CB-CB 4.24Å; L45-F55 PolarHBondContact N-O 3Å; L45-F55 PolarHBondContact O-N 3.37Å; L45-L106 HydrophobicContact CD1-CD1 3.77Å; L45-L106 HydrophobicContact CD1-CD2 4.37Å; L45-F119 HydrophobicContact CD1-CB 4.16Å; L45-F119 HydrophobicContact CD1-CD2 3.93Å; L45-F119 HydrophobicContact CD1-CE2 4.5Å; L45-F119 HydrophobicContact CD1-CG 4.05Å; L45-F119 HydrophobicContact CD2-CD2 4.44Å; L45-F119 HydrophobicContact CD2-CE2 4.25Å; L45-F119 HydrophobicContact CD2-CZ 4.31Å; L45-L137 HydrophobicContact CD1-CD1 3.84Å; L45-L137 HydrophobicContact CD1-CD2 3.83Å; L45-L137 HydrophobicContact CD1-CG 4.45Å; L45-L137 HydrophobicContact CG-CD2 3.78Å
46T94.2Very high88.5Confident4 Ų459.2 Ų59.23%0.02529%0.292CS..EExtended strand (participates in β ladder)trans-131.2157.7175.662.80000111.6V25 R26 M28 F53 L54 Y148V25-T46 CarbonylContact C-O 3.55Å; V25-T46 WeakPolarHBondContact CG1-O 3.17Å; R26-T46 WeakPolarHBondContact CB-O 3.28Å; R26-T46 PolarHBondContact N-O 3.41Å; R26-T46 PolarHBondContact O-N 2.93Å; M28-T46 HydrophobicContact CE-CG2 3.63Å; M28-T46 WeakPolarHBondContact CE-OG1 3.36Å; T46-F53 VanDerWaalsContact CA-O 3.28Å; T46-F53 WeakPolarHBondContact CA-O 3.43Å; T46-L54 HydrophobicContact CG2-CD1 3.62Å; T46-Y148 HydrophobicContact CG2-CE1 3.91Å
47D91.4Very high89.7Confident23 Ų2354.8 Ų54.812%0.12326%0.264CS..EExtended strand (participates in β ladder)trans-110.9127.9173.4-165.5-45.2000108.4T49 D50 F53D47-T49 PolarHBondContact O-N 3.47Å; D47-T49 WeakPolarHBondContact OD1-CA 3.2Å; D47-T49 WeakPolarHBondContact OD1-CB 3.45Å; D47-T49 PolarHBondContact OD1-N 3.23Å; D47-T49 PolarHBondContact OD1-OG1 2.94Å; D47-D50 HydrophobicContact CB-CB 4.24Å; D47-D50 CarbonylContact O-C 3.58Å; D47-D50 PolarHBondContact O-N 3.16Å; D47-F53 HydrophobicContact CB-CB 3.69Å; D47-F53 HydrophobicContact CB-CD1 3.87Å; D47-F53 HydrophobicContact CB-CG 3.82Å
48D89.2Confident91Very high95 Ų9550.4 Ų50.451%0.50825%0.25SS..SBendtrans-69.5-12.4178.6-69.9-9.5000112R26R26-D48 IonicContact CZ-OD1 3.39Å; R26-D48 IonicContact CZ-OD2 2.82Å; R26-D48 IonicContact NE-OD1 3.17Å; R26-D48 PolarHBondContact NE-OD1 3.02Å; R26-D48 IonicContact NE-OD2 2.66Å; R26-D48 IonicContact NH2-OD1 3.62Å; R26-D48 PolarHBondContact NH2-OD1 2.84Å; R26-D48 IonicContact NH2-OD2 3.66Å; R26-D48 PolarHBondContact NH2-OD2 2.59Å
49T90.5Very high91.8Very high122 Ų12245.4 Ų45.475%0.74823%0.232SC*.SBendtrans-101.6-20.617872.30000114.2D47D47-T49 PolarHBondContact O-N 3.47Å; D47-T49 WeakPolarHBondContact OD1-CA 3.2Å; D47-T49 WeakPolarHBondContact OD1-CB 3.45Å; D47-T49 PolarHBondContact OD1-N 3.23Å; D47-T49 PolarHBondContact OD1-OG1 2.94Å
50D88.8Confident92.3Very high67 Ų6740.1 Ų40.136%0.35821%0.214SC..  trans-12498.1174.9-179.55.5000111.1D47 Y52 F53D47-D50 HydrophobicContact CB-CB 4.24Å; D47-D50 CarbonylContact O-C 3.58Å; D47-D50 PolarHBondContact O-N 3.16Å; D50-Y52 PolarHBondContact O-N 3.23Å; D50-Y52 WeakPolarHBondContact OD1-CB 3.25Å; D50-Y52 PolarHBondContact OD1-N 2.9Å; D50-F53 HydrophobicContact CB-CB 3.98Å; D50-F53 WeakPolarHBondContact O-CB 3.36Å; D50-F53 PolarHBondContact O-N 3.45Å
51P87.9Confident92.2Very high72 Ų7242.9 Ų42.947%0.46823%0.226SC..THydrogen-bonded Turntrans-60.2-11.9177.6-25.535.8000115.7L149P51-L149 HydrophobicContact CB-CD1 4.27Å; P51-L149 HydrophobicContact CB-CD2 3.94Å
52Y87.6Confident92Very high173 Ų17348.6 Ų48.668%0.67825%0.253SS*.THydrogen-bonded Turntrans-96.1-10.6174.8-59.5-84.9000113D50 L54 V145D50-Y52 PolarHBondContact O-N 3.23Å; D50-Y52 WeakPolarHBondContact OD1-CB 3.25Å; D50-Y52 PolarHBondContact OD1-N 2.9Å; Y52-L54 PolarHBondContact O-N 3.46Å; Y52-V145 HydrophobicContact CD1-CG1 4.1Å
53F91.2Very high91.9Very high26 Ų2650.9 Ų50.911%0.11427%0.265CS..  trans-73.896.4171.4-168.9-81.1000108.9V25 L45 T46 D47 D50 F55 L106V25-F53 HydrophobicContact CG1-CE1 4.05Å; V25-F53 HydrophobicContact CG2-CE1 4.46Å; V25-F53 HydrophobicContact CG2-CZ 4.5Å; L45-F53 HydrophobicContact CB-CE1 4.36Å; T46-F53 VanDerWaalsContact CA-O 3.28Å; T46-F53 WeakPolarHBondContact CA-O 3.43Å; D47-F53 HydrophobicContact CB-CB 3.69Å; D47-F53 HydrophobicContact CB-CD1 3.87Å; D47-F53 HydrophobicContact CB-CG 3.82Å; D50-F53 HydrophobicContact CB-CB 3.98Å; D50-F53 WeakPolarHBondContact O-CB 3.36Å; D50-F53 PolarHBondContact O-N 3.45Å; F53-F55 HydrophobicContact CD1-CD2 4.25Å; F53-F55 HydrophobicContact CD1-CE2 4.48Å; F53-F55 HydrophobicContact CD2-CE2 4.06Å; F53-F55 AromaticContact CE1-CD2 3.86Å; F53-F55 HydrophobicContact CE1-CD2 3.86Å; F53-F55 HydrophobicContact CE1-CE2 4.16Å; F53-F55 HydrophobicContact CE2-CD2 4.24Å; F53-F55 AromaticContact CE2-CE2 3.69Å; F53-F55 HydrophobicContact CE2-CE2 3.69Å; F53-F55 HydrophobicContact CG-CE2 4.46Å; F53-F55 AromaticContact CZ-CD2 3.86Å; F53-F55 HydrophobicContact CZ-CD2 3.86Å; F53-F55 AromaticContact CZ-CE2 3.75Å; F53-F55 HydrophobicContact CZ-CE2 3.75Å; F53-L106 HydrophobicContact CZ-CD2 3.72Å
54L93Very high91.8Very high4 Ų450.9 Ų50.92%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-134.9120.3172.4176.562.1000108.4L45 T46 Y52 T56 G140 E144 V145 Y148L45-L54 WeakPolarHBondContact O-CA 3.34Å; T46-L54 HydrophobicContact CG2-CD1 3.62Å; Y52-L54 PolarHBondContact O-N 3.46Å; L54-T56 HydrophobicContact CD1-CG2 3.95Å; L54-T56 HydrophobicContact CD2-CG2 4.48Å; L54-T56 HydrophobicContact CG-CG2 4.08Å; L54-G140 PolarHBondContact O-N 2.92Å; L54-E144 HydrophobicContact CD2-CB 4.49Å; L54-V145 HydrophobicContact CB-CG2 4.02Å; L54-V145 HydrophobicContact CD2-CG2 3.93Å; L54-Y148 HydrophobicContact CD2-CG 4.36Å
55F93.6Very high91.8Very high13 Ų1354.2 Ų54.26%0.05728%0.281CS..EExtended strand (participates in β ladder)trans-119.6136.4165.5-68.8-95.5000109.4K44 L45 F53 A117 L137 I138 Q139K44-F55 CarbonylContact C-O 3.55Å; K44-F55 VanDerWaalsContact CA-O 3.31Å; K44-F55 WeakPolarHBondContact CA-O 3.49Å; L45-F55 HydrophobicContact CB-CB 4.24Å; L45-F55 PolarHBondContact N-O 3Å; L45-F55 PolarHBondContact O-N 3.37Å; F53-F55 HydrophobicContact CD1-CD2 4.25Å; F53-F55 HydrophobicContact CD1-CE2 4.48Å; F53-F55 HydrophobicContact CD2-CE2 4.06Å; F53-F55 AromaticContact CE1-CD2 3.86Å; F53-F55 HydrophobicContact CE1-CD2 3.86Å; F53-F55 HydrophobicContact CE1-CE2 4.16Å; F53-F55 HydrophobicContact CE2-CD2 4.24Å; F53-F55 AromaticContact CE2-CE2 3.69Å; F53-F55 HydrophobicContact CE2-CE2 3.69Å; F53-F55 HydrophobicContact CG-CE2 4.46Å; F53-F55 AromaticContact CZ-CD2 3.86Å; F53-F55 HydrophobicContact CZ-CD2 3.86Å; F53-F55 AromaticContact CZ-CE2 3.75Å; F53-F55 HydrophobicContact CZ-CE2 3.75Å; F55-A117 HydrophobicContact CD1-CB 3.76Å; F55-A117 HydrophobicContact CE1-CB 3.6Å; F55-A117 HydrophobicContact CZ-CB 4.27Å; F55-L137 HydrophobicContact CB-CB 3.89Å; F55-L137 HydrophobicContact CB-CD2 4.1Å; F55-I138 CarbonylContact C-O 3.56Å; F55-I138 VanDerWaalsContact CA-O 3.28Å; F55-I138 WeakPolarHBondContact CA-O 3.48Å; F55-Q139 HydrophobicContact CD1-CB 4.01Å; F55-Q139 HydrophobicContact CE1-CB 3.66Å; F55-Q139 HydrophobicContact CE1-CG 4.15Å; F55-Q139 HydrophobicContact CZ-CB 4.23Å; F55-Q139 HydrophobicContact CZ-CG 4.22Å
56T93.9Very high91.7Very high18 Ų1857.5 Ų57.511%0.1130%0.304CS..EExtended strand (participates in β ladder)trans-124.8149.6-177.859.40000111.3V43 K44 L54 L137 I138V43-T56 CarbonylContact O-C 3.45Å; V43-T56 WeakPolarHBondContact O-CA 3.46Å; K44-T56 HydrophobicContact CG-CG2 4.41Å; L54-T56 HydrophobicContact CD1-CG2 3.95Å; L54-T56 HydrophobicContact CD2-CG2 4.48Å; L54-T56 HydrophobicContact CG-CG2 4.08Å; T56-L137 WeakPolarHBondContact O-CA 3.28Å; T56-L137 WeakPolarHBondContact O-CB 3.49Å; T56-I138 PolarHBondContact N-O 2.93Å; T56-I138 PolarHBondContact O-N 2.82Å
57L94.4Very high91.7Very high28 Ų2858.5 Ų58.515%0.14731%0.309CS..EExtended strand (participates in β ladder)trans-144.7101.1166.6173.658.2000109V43 I59 L135 R136 L137V43-L57 HydrophobicContact CB-CB 4.44Å; V43-L57 PolarHBondContact N-O 2.9Å; V43-L57 PolarHBondContact O-N 2.79Å; L57-I59 HydrophobicContact CD1-CG1 4.2Å; L57-I59 HydrophobicContact CD2-CD1 3.93Å; L57-I59 HydrophobicContact CD2-CG1 4.04Å; L57-I59 HydrophobicContact CG-CD1 4.12Å; L57-I59 HydrophobicContact CG-CG1 3.7Å; L57-L135 HydrophobicContact CD2-CB 3.77Å; L57-L135 HydrophobicContact CD2-CD1 4.36Å; L57-L135 HydrophobicContact CD2-CD2 4.23Å; L57-L135 HydrophobicContact CD2-CG 4.33Å; L57-R136 WeakPolarHBondContact CD1-O 3.32Å; L57-L137 HydrophobicContact CB-CB 4.38Å; L57-L137 HydrophobicContact CB-CD2 4.11Å; L57-L137 HydrophobicContact CB-CG 3.84Å
58P92.6Very high91.8Very high77 Ų7760 Ų6050%0.531%0.314SS..EExtended strand (participates in β ladder)trans-72.3135.5161.231.1-31.8000109.4L41 L42L41-P58 CarbonylContact O-C 3.55Å; L42-P58 HydrophobicContact CD1-CB 4.31Å
59I93.9Very high92Very high4 Ų461.4 Ų61.42%0.02133%0.326CS..EExtended strand (participates in β ladder)trans-127104174.9-49.4176.8000106.6L41 V43 L57 D63 F64 L67 F77 F80 L135L41-I59 HydrophobicContact CB-CB 4.42Å; L41-I59 PolarHBondContact N-O 3.04Å; L41-I59 PolarHBondContact O-N 2.83Å; V43-I59 HydrophobicContact CG2-CD1 4.46Å; L57-I59 HydrophobicContact CD1-CG1 4.2Å; L57-I59 HydrophobicContact CD2-CD1 3.93Å; L57-I59 HydrophobicContact CD2-CG1 4.04Å; L57-I59 HydrophobicContact CG-CD1 4.12Å; L57-I59 HydrophobicContact CG-CG1 3.7Å; I59-D63 HydrophobicContact CG2-CB 4.24Å; I59-F64 HydrophobicContact CG2-CB 4.02Å; I59-L67 HydrophobicContact CD1-CD2 4.23Å; I59-F77 HydrophobicContact CG2-CE2 4.29Å; I59-F80 HydrophobicContact CD1-CE1 4.02Å; I59-L135 HydrophobicContact CD1-CD2 4.47Å
60S92.4Very high92.2Very high15 Ų1562.8 Ų62.811%0.10532%0.324CS..EExtended strand (participates in β ladder)trans-74.8166168.174.50000110.7D40 E62 D63 F64D40-S60 WeakPolarHBondContact OD1-CB 3.33Å; S60-E62 PolarHBondContact O-N 3.47Å; S60-E62 VanDerWaalsContact O-N 3.17Å; S60-E62 PolarHBondContact OG-N 3.07Å; S60-D63 VanDerWaalsContact CB-OD2 3.26Å; S60-D63 WeakPolarHBondContact CB-OD2 3.19Å; S60-D63 PolarHBondContact N-OD2 3.21Å; S60-D63 PolarHBondContact O-N 2.77Å; S60-D63 VanDerWaalsContact OG-CG 3.3Å; S60-D63 PolarHBondContact OG-N 2.78Å; S60-D63 PolarHBondContact OG-OD2 3.46Å; S60-F64 WeakPolarHBondContact O-CB 3.46Å; S60-F64 PolarHBondContact O-N 2.81Å
61E89.1Confident92.4Very high96 Ų9662.4 Ų62.445%0.44932%0.32SS..Hα-helixtrans-59.5-23.2174.1-173.6166.6-16200113.4Q65 F77E61-Q65 WeakPolarHBondContact O-CG 3.24Å; E61-Q65 PolarHBondContact O-NE2 2.88Å; E61-F77 HydrophobicContact CB-CD1 3.94Å; E61-F77 HydrophobicContact CB-CE1 4.15Å; E61-F77 HydrophobicContact CB-CG 4.3Å; E61-F77 HydrophobicContact CG-CB 4.24Å; E61-F77 HydrophobicContact CG-CD1 4.04Å; E61-F77 HydrophobicContact CG-CG 4.22Å
62E89.8Confident92.7Very high120 Ų12061.6 Ų61.656%0.56133%0.325SS*.Hα-helixtrans-81.2-45.9175.4-70.9168.6162.500111.6R38 S60 F64 Q65R38-E62 IonicContact CZ-OE1 3.15Å; R38-E62 IonicContact CZ-OE2 3.61Å; R38-E62 IonicContact NE-OE2 3.63Å; R38-E62 IonicContact NH2-OE1 2.71Å; R38-E62 PolarHBondContact NH2-OE1 2.79Å; R38-E62 IonicContact NH2-OE2 2.75Å; R38-E62 PolarHBondContact NH2-OE2 2.76Å; S60-E62 PolarHBondContact O-N 3.47Å; S60-E62 VanDerWaalsContact O-N 3.17Å; S60-E62 PolarHBondContact OG-N 3.07Å; E62-F64 PolarHBondContact O-N 2.86Å; E62-Q65 PolarHBondContact O-N 3.36Å; E62-Q65 VanDerWaalsContact O-N 3.1Å
63D91.6Very high93Very high86 Ų8654.7 Ų54.746%0.4630%0.3SS..Hα-helixtrans-58.7-37.5173.7-59.2-59.5000110.9I59 S60 Q65 S66 L67I59-D63 HydrophobicContact CG2-CB 4.24Å; S60-D63 VanDerWaalsContact CB-OD2 3.26Å; S60-D63 WeakPolarHBondContact CB-OD2 3.19Å; S60-D63 PolarHBondContact N-OD2 3.21Å; S60-D63 PolarHBondContact O-N 2.77Å; S60-D63 VanDerWaalsContact OG-CG 3.3Å; S60-D63 PolarHBondContact OG-N 2.78Å; S60-D63 PolarHBondContact OG-OD2 3.46Å; D63-Q65 VanDerWaalsContact C-N 3.29Å; D63-Q65 PolarHBondContact O-N 2.98Å; D63-S66 WeakPolarHBondContact O-CB 3.23Å; D63-S66 PolarHBondContact O-N 3.09Å; D63-S66 VanDerWaalsContact O-N 3.12Å; D63-L67 PolarHBondContact O-N 2.94Å
64F94.1Very high93.1Very high0 Ų061.3 Ų61.30%034%0.336CS..Hα-helixtrans-60.9-33.2177.3-179-102.1000113.1I59 S60 E62 S66 L67 K68 L73 D76 F77 F80I59-F64 HydrophobicContact CG2-CB 4.02Å; S60-F64 WeakPolarHBondContact O-CB 3.46Å; S60-F64 PolarHBondContact O-N 2.81Å; E62-F64 PolarHBondContact O-N 2.86Å; F64-S66 VanDerWaalsContact C-N 3.29Å; F64-S66 PolarHBondContact O-N 3.32Å; F64-L67 HydrophobicContact CD2-CD2 4.21Å; F64-L67 PolarHBondContact O-N 2.77Å; F64-K68 HydrophobicContact CD1-CB 4.49Å; F64-K68 HydrophobicContact CE1-CB 4.14Å; F64-K68 HydrophobicContact CE1-CD 3.98Å; F64-K68 HydrophobicContact CZ-CB 4.24Å; F64-K68 HydrophobicContact CZ-CD 4.44Å; F64-K68 WeakPolarHBondContact O-CB 3.26Å; F64-K68 PolarHBondContact O-N 3.36Å; F64-L73 HydrophobicContact CE2-CD1 3.97Å; F64-L73 HydrophobicContact CZ-CD1 4.4Å; F64-D76 VanDerWaalsContact CE1-C 3.49Å; F64-F77 HydrophobicContact CB-CD2 3.52Å; F64-F77 HydrophobicContact CB-CE2 4.07Å; F64-F77 HydrophobicContact CB-CG 4.36Å; F64-F77 HydrophobicContact CD1-CB 3.67Å; F64-F77 HydrophobicContact CD1-CD2 4.01Å; F64-F77 HydrophobicContact CD1-CG 4.32Å; F64-F77 HydrophobicContact CD2-CD2 4.01Å; F64-F77 HydrophobicContact CE1-CB 4.1Å; F64-F77 HydrophobicContact CG-CB 4.14Å; F64-F77 AromaticContact CG-CD2 3.55Å; F64-F77 HydrophobicContact CG-CD2 3.55Å; F64-F77 HydrophobicContact CG-CE2 4.44Å; F64-F77 HydrophobicContact CG-CG 4.3Å; F64-F80 HydrophobicContact CD2-CB 4.4Å; F64-F80 HydrophobicContact CD2-CD1 4.1Å; F64-F80 HydrophobicContact CD2-CD2 4.47Å; F64-F80 HydrophobicContact CD2-CG 4.07Å; F64-F80 HydrophobicContact CE2-CB 3.66Å; F64-F80 AromaticContact CE2-CD1 3.92Å; F64-F80 HydrophobicContact CE2-CD1 3.92Å; F64-F80 AromaticContact CE2-CD2 3.58Å; F64-F80 HydrophobicContact CE2-CD2 3.58Å; F64-F80 HydrophobicContact CE2-CE1 4.49Å; F64-F80 HydrophobicContact CE2-CE2 4.19Å; F64-F80 AromaticContact CE2-CG 3.43Å; F64-F80 HydrophobicContact CE2-CG 3.43Å; F64-F80 VanDerWaalsContact CE2-CG 3.43Å; F64-F80 HydrophobicContact CZ-CB 3.91Å; F64-F80 HydrophobicContact CZ-CD2 4.31Å; F64-F80 HydrophobicContact CZ-CG 4.16Å
65Q93.1Very high93.2Very high96 Ų9663.7 Ų63.745%0.44935%0.347SS..Hα-helixtrans-64.7-38.5176-54.1-50.7-39.900111.2E61 E62 D63 V69E61-Q65 WeakPolarHBondContact O-CG 3.24Å; E61-Q65 PolarHBondContact O-NE2 2.88Å; E62-Q65 PolarHBondContact O-N 3.36Å; E62-Q65 VanDerWaalsContact O-N 3.1Å; D63-Q65 VanDerWaalsContact C-N 3.29Å; D63-Q65 PolarHBondContact O-N 2.98Å; Q65-V69 WeakPolarHBondContact O-CG2 3.34Å; Q65-V69 PolarHBondContact O-N 3.31Å
66S93.9Very high93.2Very high68 Ų6866.8 Ų66.848%0.47637%0.365SS..Hα-helixtrans-66.2-46.2173.7-62.40000111.3D63 F64 K68 V69 Q70D63-S66 WeakPolarHBondContact O-CB 3.23Å; D63-S66 PolarHBondContact O-N 3.09Å; D63-S66 VanDerWaalsContact O-N 3.12Å; F64-S66 VanDerWaalsContact C-N 3.29Å; F64-S66 PolarHBondContact O-N 3.32Å; S66-K68 VanDerWaalsContact C-N 3.33Å; S66-K68 PolarHBondContact O-N 2.83Å; S66-V69 PolarHBondContact O-N 2.98Å; S66-Q70 WeakPolarHBondContact O-CB 3.1Å; S66-Q70 WeakPolarHBondContact O-CG 3.43Å; S66-Q70 PolarHBondContact O-N 2.93Å
67L93.5Very high93.2Very high25 Ų2566.4 Ų66.413%0.13136%0.361CS..Hα-helixtrans-59.1-43.6176.9-164.477.2000111.9I59 D63 F64 Q70 Q71 F80 L135I59-L67 HydrophobicContact CD1-CD2 4.23Å; D63-L67 PolarHBondContact O-N 2.94Å; F64-L67 HydrophobicContact CD2-CD2 4.21Å; F64-L67 PolarHBondContact O-N 2.77Å; L67-Q70 PolarHBondContact O-N 3.39Å; L67-Q71 VanDerWaalsContact CD1-NE2 3.29Å; L67-Q71 PolarHBondContact O-N 3.43Å; L67-F80 HydrophobicContact CD2-CE1 4.49Å; L67-F80 HydrophobicContact CD2-CZ 4.07Å; L67-L135 HydrophobicContact CD1-CD2 4.32Å; L67-L135 HydrophobicContact CD2-CD2 4.02Å
68K93.8Very high93Very high54 Ų5468 Ų6824%0.23538%0.379CS..Hα-helixtrans-59-48.3179175.8168.3-177.5157.40111.7F64 S66 G72 L73 L74 I75F64-K68 HydrophobicContact CD1-CB 4.49Å; F64-K68 HydrophobicContact CE1-CB 4.14Å; F64-K68 HydrophobicContact CE1-CD 3.98Å; F64-K68 HydrophobicContact CZ-CB 4.24Å; F64-K68 HydrophobicContact CZ-CD 4.44Å; F64-K68 WeakPolarHBondContact O-CB 3.26Å; F64-K68 PolarHBondContact O-N 3.36Å; S66-K68 VanDerWaalsContact C-N 3.33Å; S66-K68 PolarHBondContact O-N 2.83Å; K68-G72 WeakPolarHBondContact O-CA 3.36Å; K68-G72 PolarHBondContact O-N 2.87Å; K68-L73 HydrophobicContact CB-CB 4.5Å; K68-L73 WeakPolarHBondContact CE-O 3.4Å; K68-L73 HydrophobicContact CG-CB 4.21Å; K68-L73 VanDerWaalsContact CG-O 3.26Å; K68-L73 WeakPolarHBondContact CG-O 3.21Å; K68-L73 PolarHBondContact O-N 2.9Å; K68-L74 PolarHBondContact NZ-O 2.76Å; K68-I75 WeakPolarHBondContact CD-O 3.49Å; K68-I75 WeakPolarHBondContact CE-O 3.43Å; K68-I75 PolarHBondContact NZ-O 2.94Å
69V94.5Very high93.1Very high125 Ų12567 Ų6776%0.75837%0.373SS*.Hα-helixtrans-69-43.2177.1174.90000111.3Q65 S66 Q71Q65-V69 WeakPolarHBondContact O-CG2 3.34Å; Q65-V69 PolarHBondContact O-N 3.31Å; S66-V69 PolarHBondContact O-N 2.98Å; V69-Q71 VanDerWaalsContact C-N 3.31Å; V69-Q71 PolarHBondContact O-N 3.47Å
70Q93.3Very high93.2Very high152 Ų15267 Ų6771%0.7137%0.373SS*.Hα-helixtrans-64.5-31.3-178.7-74173.219.900113.8S66 L67S66-Q70 WeakPolarHBondContact O-CB 3.1Å; S66-Q70 WeakPolarHBondContact O-CG 3.43Å; S66-Q70 PolarHBondContact O-N 2.93Å; L67-Q70 PolarHBondContact O-N 3.39Å
71Q94.3Very high93.3Very high58 Ų5866.8 Ų66.827%0.27137%0.372SS..Hα-helixtrans-112.16.6-176.3-54.9-168.537.100113.6L67 V69 L73 S134L67-Q71 VanDerWaalsContact CD1-NE2 3.29Å; L67-Q71 PolarHBondContact O-N 3.43Å; V69-Q71 VanDerWaalsContact C-N 3.31Å; V69-Q71 PolarHBondContact O-N 3.47Å; Q71-L73 VanDerWaalsContact C-N 3.26Å; Q71-L73 HydrophobicContact CB-CD2 4.16Å; Q71-L73 HydrophobicContact CB-CG 4.09Å; Q71-L73 PolarHBondContact O-N 2.81Å; Q71-S134 PolarHBondContact NE2-O 3.08Å
72G93.1Very high93.6Very high56 Ų5667.2 Ų67.258%0.57737%0.374SS*.THydrogen-bonded Turntrans64.326.2178.200000114.5K68 L74K68-G72 WeakPolarHBondContact O-CA 3.36Å; K68-G72 PolarHBondContact O-N 2.87Å; G72-L74 PolarHBondContact O-N 3.35Å
73L94.3Very high93.8Very high28 Ų2866.3 Ų66.315%0.14737%0.368CS..  trans-67.8133.1-176.8-52.2178.8000109.9F64 K68 Q71 F80 L133F64-L73 HydrophobicContact CE2-CD1 3.97Å; F64-L73 HydrophobicContact CZ-CD1 4.4Å; K68-L73 HydrophobicContact CB-CB 4.5Å; K68-L73 WeakPolarHBondContact CE-O 3.4Å; K68-L73 HydrophobicContact CG-CB 4.21Å; K68-L73 VanDerWaalsContact CG-O 3.26Å; K68-L73 WeakPolarHBondContact CG-O 3.21Å; K68-L73 PolarHBondContact O-N 2.9Å; Q71-L73 VanDerWaalsContact C-N 3.26Å; Q71-L73 HydrophobicContact CB-CD2 4.16Å; Q71-L73 HydrophobicContact CB-CG 4.09Å; Q71-L73 PolarHBondContact O-N 2.81Å; L73-F80 HydrophobicContact CD1-CD2 4.12Å; L73-F80 HydrophobicContact CD1-CE2 3.93Å; L73-L133 HydrophobicContact CD1-CD1 4.22Å; L73-L133 HydrophobicContact CD2-CD1 4.1Å
74L93.5Very high94.1Very high165 Ų16562.3 Ų62.386%0.86435%0.347SS*.  trans-86.4-26.2179.9-59.5-179.9000112.7K68 G72K68-L74 PolarHBondContact NZ-O 2.76Å; G72-L74 PolarHBondContact O-N 3.35Å
75I94.8Very high94.2Very high53 Ų5362.9 Ų62.927%0.27235%0.35SS..SBendtrans-78.1163.7-173.462.3-174000113.9K68 F80 K83K68-I75 WeakPolarHBondContact CD-O 3.49Å; K68-I75 WeakPolarHBondContact CE-O 3.43Å; K68-I75 PolarHBondContact NZ-O 2.94Å; I75-F80 HydrophobicContact CD1-CB 4.25Å; I75-F80 HydrophobicContact CD1-CD2 4.17Å; I75-K83 HydrophobicContact CD1-CB 3.52Å; I75-K83 HydrophobicContact CD1-CG 3.7Å; I75-K83 HydrophobicContact CG2-CG 4.5Å
76D93.6Very high94.3Very high78 Ų7860.8 Ų60.842%0.41734%0.342SS..  trans-89.5174.1174.672.8-30.5000112.2F64 A78 S79 F80F64-D76 VanDerWaalsContact CE1-C 3.49Å; D76-A78 VanDerWaalsContact C-N 3.29Å; D76-A78 PolarHBondContact O-N 2.91Å; D76-A78 WeakPolarHBondContact OD2-CB 3.28Å; D76-S79 PolarHBondContact O-N 2.87Å; D76-S79 WeakPolarHBondContact OD1-CB 3.31Å; D76-S79 PolarHBondContact OD1-N 2.87Å; D76-S79 PolarHBondContact OD1-OG 2.71Å; D76-F80 WeakPolarHBondContact O-CB 3.49Å; D76-F80 PolarHBondContact O-N 2.9Å; D76-F80 VanDerWaalsContact O-N 3.08Å
77F93.1Very high94.4Very high10 Ų1059.1 Ų59.14%0.04433%0.327CS..THydrogen-bonded Turntrans-65.9-32.2-179.2-175.8-113.7000112.3R39 L41 I59 E61 F64 F80 P81R39-F77 HydrophobicContact CB-CE1 3.79Å; R39-F77 WeakPolarHBondContact O-CE1 3.48Å; R39-F77 WeakPolarHBondContact O-CZ 3.4Å; L41-F77 HydrophobicContact CB-CE2 4.2Å; L41-F77 HydrophobicContact CB-CZ 4.06Å; I59-F77 HydrophobicContact CG2-CE2 4.29Å; E61-F77 HydrophobicContact CB-CD1 3.94Å; E61-F77 HydrophobicContact CB-CE1 4.15Å; E61-F77 HydrophobicContact CB-CG 4.3Å; E61-F77 HydrophobicContact CG-CB 4.24Å; E61-F77 HydrophobicContact CG-CD1 4.04Å; E61-F77 HydrophobicContact CG-CG 4.22Å; F64-F77 HydrophobicContact CB-CD2 3.52Å; F64-F77 HydrophobicContact CB-CE2 4.07Å; F64-F77 HydrophobicContact CB-CG 4.36Å; F64-F77 HydrophobicContact CD1-CB 3.67Å; F64-F77 HydrophobicContact CD1-CD2 4.01Å; F64-F77 HydrophobicContact CD1-CG 4.32Å; F64-F77 HydrophobicContact CD2-CD2 4.01Å; F64-F77 HydrophobicContact CE1-CB 4.1Å; F64-F77 HydrophobicContact CG-CB 4.14Å; F64-F77 AromaticContact CG-CD2 3.55Å; F64-F77 HydrophobicContact CG-CD2 3.55Å; F64-F77 HydrophobicContact CG-CE2 4.44Å; F64-F77 HydrophobicContact CG-CG 4.3Å; F77-F80 PolarHBondContact O-N 3.4Å; F77-P81 WeakPolarHBondContact O-CD 3.42Å
78A91.8Very high94.5Very high63 Ų6358 Ų5852%0.52132%0.321SS..THydrogen-bonded Turntrans-68.8-36178.300000112.8D76D76-A78 VanDerWaalsContact C-N 3.29Å; D76-A78 PolarHBondContact O-N 2.91Å; D76-A78 WeakPolarHBondContact OD2-CB 3.28Å
79S94.1Very high94.6Very high54 Ų5457.5 Ų57.538%0.37832%0.321SS..THydrogen-bonded Turntrans-84.2-18.9177.4-51.20000113.8D76 Q82 K83D76-S79 PolarHBondContact O-N 2.87Å; D76-S79 WeakPolarHBondContact OD1-CB 3.31Å; D76-S79 PolarHBondContact OD1-N 2.87Å; D76-S79 PolarHBondContact OD1-OG 2.71Å; S79-Q82 PolarHBondContact O-N 3.2Å; S79-K83 PolarHBondContact O-N 3.41Å; S79-K83 VanDerWaalsContact O-N 3.13Å
80F95.2Very high94.5Very high4 Ų454.6 Ų54.62%0.01830%0.301CS..Hα-helixtrans-58.7-46.8-174.5175.4-107.2000114.7L41 I59 F64 L67 L73 I75 D76 F77 Q82 K83 F84 L133 L135L41-F80 HydrophobicContact CD2-CD1 3.74Å; L41-F80 HydrophobicContact CD2-CE1 3.75Å; I59-F80 HydrophobicContact CD1-CE1 4.02Å; F64-F80 HydrophobicContact CD2-CB 4.4Å; F64-F80 HydrophobicContact CD2-CD1 4.1Å; F64-F80 HydrophobicContact CD2-CD2 4.47Å; F64-F80 HydrophobicContact CD2-CG 4.07Å; F64-F80 HydrophobicContact CE2-CB 3.66Å; F64-F80 AromaticContact CE2-CD1 3.92Å; F64-F80 HydrophobicContact CE2-CD1 3.92Å; F64-F80 AromaticContact CE2-CD2 3.58Å; F64-F80 HydrophobicContact CE2-CD2 3.58Å; F64-F80 HydrophobicContact CE2-CE1 4.49Å; F64-F80 HydrophobicContact CE2-CE2 4.19Å; F64-F80 AromaticContact CE2-CG 3.43Å; F64-F80 HydrophobicContact CE2-CG 3.43Å; F64-F80 VanDerWaalsContact CE2-CG 3.43Å; F64-F80 HydrophobicContact CZ-CB 3.91Å; F64-F80 HydrophobicContact CZ-CD2 4.31Å; F64-F80 HydrophobicContact CZ-CG 4.16Å; L67-F80 HydrophobicContact CD2-CE1 4.49Å; L67-F80 HydrophobicContact CD2-CZ 4.07Å; L73-F80 HydrophobicContact CD1-CD2 4.12Å; L73-F80 HydrophobicContact CD1-CE2 3.93Å; I75-F80 HydrophobicContact CD1-CB 4.25Å; I75-F80 HydrophobicContact CD1-CD2 4.17Å; D76-F80 WeakPolarHBondContact O-CB 3.49Å; D76-F80 PolarHBondContact O-N 2.9Å; D76-F80 VanDerWaalsContact O-N 3.08Å; F77-F80 PolarHBondContact O-N 3.4Å; F80-Q82 VanDerWaalsContact C-N 3.35Å; F80-Q82 PolarHBondContact O-N 2.79Å; F80-K83 PolarHBondContact O-N 3.26Å; F80-F84 WeakPolarHBondContact O-CB 3.37Å; F80-F84 PolarHBondContact O-N 2.84Å; F80-L133 HydrophobicContact CE2-CD1 3.9Å; F80-L133 HydrophobicContact CE2-CD2 4.18Å; F80-L133 HydrophobicContact CZ-CD1 4.32Å; F80-L133 HydrophobicContact CZ-CD2 4.14Å; F80-L135 HydrophobicContact CZ-CD2 4.43Å
81P94.9Very high94.5Very high12 Ų1247.6 Ų47.68%0.07827%0.269CS..Hα-helixtrans-56.1-46.8178.2-23.931.5000112.5L4 L41 F77 K83 F84 I85L4-P81 HydrophobicContact CD1-CB 3.78Å; L4-P81 HydrophobicContact CD1-CG 4.48Å; L41-P81 HydrophobicContact CD1-CB 3.98Å; L41-P81 HydrophobicContact CD1-CG 3.78Å; L41-P81 HydrophobicContact CD2-CB 4.38Å; L41-P81 HydrophobicContact CD2-CG 4Å; L41-P81 HydrophobicContact CG-CG 4.47Å; F77-P81 WeakPolarHBondContact O-CD 3.42Å; P81-K83 PolarHBondContact O-N 2.93Å; P81-F84 PolarHBondContact O-N 3.03Å; P81-I85 WeakPolarHBondContact O-CB 3.27Å; P81-I85 WeakPolarHBondContact O-CD1 3.46Å; P81-I85 VanDerWaalsContact O-CG1 3.22Å; P81-I85 WeakPolarHBondContact O-CG1 3.41Å; P81-I85 PolarHBondContact O-N 2.92Å
82Q95.2Very high94.5Very high104 Ų10446.7 Ų46.749%0.48627%0.266SS..Hα-helixtrans-63.6-43.2179.1-175.660.255.300111.4S79 F80 F84 I85 D86S79-Q82 PolarHBondContact O-N 3.2Å; F80-Q82 VanDerWaalsContact C-N 3.35Å; F80-Q82 PolarHBondContact O-N 2.79Å; Q82-F84 VanDerWaalsContact C-N 3.34Å; Q82-F84 PolarHBondContact O-N 3.36Å; Q82-I85 CarbonylContact O-C 3.57Å; Q82-I85 WeakPolarHBondContact O-CB 3.47Å; Q82-I85 PolarHBondContact O-N 2.93Å; Q82-D86 PolarHBondContact NE2-OD1 3.45Å; Q82-D86 PolarHBondContact O-N 2.7Å
83K95.4Very high94.4Very high101 Ų10150.6 Ų50.644%0.43927%0.273SS..Hα-helixtrans-69.4-31.3-179.7-69.4-72151.7-140.10113.1I75 S79 F80 P81 D86 L87I75-K83 HydrophobicContact CD1-CB 3.52Å; I75-K83 HydrophobicContact CD1-CG 3.7Å; I75-K83 HydrophobicContact CG2-CG 4.5Å; S79-K83 PolarHBondContact O-N 3.41Å; S79-K83 VanDerWaalsContact O-N 3.13Å; F80-K83 PolarHBondContact O-N 3.26Å; P81-K83 PolarHBondContact O-N 2.93Å; K83-D86 WeakPolarHBondContact CE-OD2 3.15Å; K83-D86 IonicContact NZ-OD2 2.7Å; K83-D86 PolarHBondContact NZ-OD2 2.98Å; K83-L87 WeakPolarHBondContact O-CG 3.19Å; K83-L87 PolarHBondContact O-N 3.48Å
84F95.9Very high94.1Very high2 Ų251.7 Ų51.71%0.00928%0.277CS..Hα-helixtrans-67.6-43.4169.8179.7-148.2000111.1I29 V43 F80 P81 Q82 D86 L87 L88 F119 I121 L133 L135I29-F84 HydrophobicContact CD1-CD1 3.44Å; I29-F84 VanDerWaalsContact CD1-CD1 3.44Å; I29-F84 HydrophobicContact CD1-CE1 3.49Å; I29-F84 VanDerWaalsContact CD1-CE1 3.49Å; I29-F84 HydrophobicContact CD1-CG 4.23Å; I29-F84 HydrophobicContact CD1-CZ 4.34Å; I29-F84 HydrophobicContact CG1-CD1 4.26Å; I29-F84 HydrophobicContact CG1-CE1 3.96Å; V43-F84 HydrophobicContact CG1-CE1 3.94Å; V43-F84 HydrophobicContact CG1-CZ 4.2Å; V43-F84 HydrophobicContact CG2-CD1 4.49Å; V43-F84 HydrophobicContact CG2-CE1 3.75Å; F80-F84 WeakPolarHBondContact O-CB 3.37Å; F80-F84 PolarHBondContact O-N 2.84Å; P81-F84 PolarHBondContact O-N 3.03Å; Q82-F84 VanDerWaalsContact C-N 3.34Å; Q82-F84 PolarHBondContact O-N 3.36Å; F84-D86 PolarHBondContact O-N 2.82Å; F84-L87 PolarHBondContact O-N 3.02Å; F84-L88 HydrophobicContact CD2-CD1 4.33Å; F84-L88 HydrophobicContact CD2-CG 4.11Å; F84-L88 HydrophobicContact CE1-CD1 4.4Å; F84-L88 HydrophobicContact CE2-CD1 3.98Å; F84-L88 HydrophobicContact CE2-CD2 3.9Å; F84-L88 HydrophobicContact CE2-CG 3.88Å; F84-L88 HydrophobicContact CZ-CD1 4.02Å; F84-L88 HydrophobicContact CZ-CD2 4.43Å; F84-L88 HydrophobicContact CZ-CG 4.4Å; F84-L88 WeakPolarHBondContact O-CG 2.84Å; F84-L88 PolarHBondContact O-N 3.23Å; F84-F119 HydrophobicContact CE2-CE1 4.09Å; F84-F119 HydrophobicContact CZ-CD1 4.49Å; F84-F119 HydrophobicContact CZ-CE1 4.03Å; F84-I121 HydrophobicContact CD2-CD1 3.69Å; F84-I121 HydrophobicContact CE2-CD1 3.65Å; F84-L133 HydrophobicContact CB-CD2 4.5Å; F84-L133 HydrophobicContact CD2-CD2 3.47Å; F84-L133 VanDerWaalsContact CD2-CD2 3.47Å; F84-L133 HydrophobicContact CE2-CD2 3.82Å; F84-L133 HydrophobicContact CG-CD2 4.03Å; F84-L135 HydrophobicContact CE1-CD1 3.83Å; F84-L135 HydrophobicContact CE2-CD1 4.12Å; F84-L135 HydrophobicContact CZ-CD1 3.59Å
85I96.4Very high93.7Very high13 Ų1345.8 Ų45.87%0.06725%0.245CC..Hα-helixtrans-62.1-39.7174.7-71.8166.3000112.1L4 F5 I29 P81 Q82 L87 L88 N89L4-I85 HydrophobicContact CB-CD1 3.79Å; F5-I85 HydrophobicContact CB-CD1 3.95Å; F5-I85 HydrophobicContact CB-CG1 3.9Å; F5-I85 HydrophobicContact CD2-CG1 4.19Å; F5-I85 HydrophobicContact CD2-CG2 3.86Å; F5-I85 HydrophobicContact CE2-CG2 4.39Å; F5-I85 HydrophobicContact CG-CG1 4.27Å; I29-I85 HydrophobicContact CD1-CD1 4.32Å; I29-I85 HydrophobicContact CD1-CG1 3.63Å; P81-I85 WeakPolarHBondContact O-CB 3.27Å; P81-I85 WeakPolarHBondContact O-CD1 3.46Å; P81-I85 VanDerWaalsContact O-CG1 3.22Å; P81-I85 WeakPolarHBondContact O-CG1 3.41Å; P81-I85 PolarHBondContact O-N 2.92Å; Q82-I85 CarbonylContact O-C 3.57Å; Q82-I85 WeakPolarHBondContact O-CB 3.47Å; Q82-I85 PolarHBondContact O-N 2.93Å; I85-L87 VanDerWaalsContact C-N 3.34Å; I85-L87 PolarHBondContact O-N 3.04Å; I85-L88 PolarHBondContact O-N 3.38Å; I85-N89 VanDerWaalsContact CG2-ND2 3.32Å; I85-N89 WeakPolarHBondContact CG2-ND2 3.44Å; I85-N89 PolarHBondContact O-N 3.14Å; I85-N89 PolarHBondContact O-ND2 3.3Å
86D96.3Very high93.2Very high52 Ų5250.1 Ų50.128%0.27827%0.269SS..Hα-helixtrans-57.7-47.4175.2-64.4-19.2000110.6Q82 K83 F84 N89 L90Q82-D86 PolarHBondContact NE2-OD1 3.45Å; Q82-D86 PolarHBondContact O-N 2.7Å; K83-D86 WeakPolarHBondContact CE-OD2 3.15Å; K83-D86 IonicContact NZ-OD2 2.7Å; K83-D86 PolarHBondContact NZ-OD2 2.98Å; F84-D86 PolarHBondContact O-N 2.82Å; D86-N89 PolarHBondContact O-N 2.76Å; D86-L90 PolarHBondContact O-N 2.77Å
87L95.3Very high92.9Very high33 Ų3349 Ų4917%0.17327%0.267CS..Hα-helixtrans-65.4-40.1177.6-70.8169.3000113K83 F84 I85 N89 L90 C91 I121 H132K83-L87 WeakPolarHBondContact O-CG 3.19Å; K83-L87 PolarHBondContact O-N 3.48Å; F84-L87 PolarHBondContact O-N 3.02Å; I85-L87 VanDerWaalsContact C-N 3.34Å; I85-L87 PolarHBondContact O-N 3.04Å; L87-N89 VanDerWaalsContact C-N 3.32Å; L87-N89 PolarHBondContact O-N 3.26Å; L87-L90 HydrophobicContact CD2-CD1 4.44Å; L87-L90 PolarHBondContact O-N 3.3Å; L87-C91 PolarHBondContact O-N 3.12Å; L87-C91 VanDerWaalsContact O-N 3.14Å; L87-C91 PolarHBondContact O-SG 3.35Å; L87-I121 HydrophobicContact CB-CD1 3.76Å; L87-I121 HydrophobicContact CB-CG2 4.29Å; L87-I121 HydrophobicContact CD1-CD1 4.12Å; L87-I121 HydrophobicContact CD2-CG2 4.49Å; L87-H132 HydrophobicContact CD1-CB 4.18Å; L87-H132 HydrophobicContact CD2-CB 4.22Å
88L95.9Very high92.3Very high0 Ų055.6 Ų55.60%030%0.303CS..Hα-helixtrans-64.3-36.6174.5-69.2-179.7000111.9F5 L9 V27 I29 F84 I85 C91 N92 L104 F119 I121F5-L88 HydrophobicContact CD1-CD1 4.13Å; F5-L88 HydrophobicContact CE1-CB 4.41Å; F5-L88 HydrophobicContact CE1-CD1 3.9Å; F5-L88 HydrophobicContact CE2-CB 4.34Å; F5-L88 HydrophobicContact CZ-CB 3.94Å; F5-L88 HydrophobicContact CZ-CD1 4.23Å; L9-L88 HydrophobicContact CD1-CB 4.14Å; L9-L88 HydrophobicContact CD1-CD2 3.96Å; L9-L88 HydrophobicContact CD1-CG 4.46Å; V27-L88 HydrophobicContact CG1-CD1 3.77Å; I29-L88 HydrophobicContact CD1-CD1 3.68Å; F84-L88 HydrophobicContact CD2-CD1 4.33Å; F84-L88 HydrophobicContact CD2-CG 4.11Å; F84-L88 HydrophobicContact CE1-CD1 4.4Å; F84-L88 HydrophobicContact CE2-CD1 3.98Å; F84-L88 HydrophobicContact CE2-CD2 3.9Å; F84-L88 HydrophobicContact CE2-CG 3.88Å; F84-L88 HydrophobicContact CZ-CD1 4.02Å; F84-L88 HydrophobicContact CZ-CD2 4.43Å; F84-L88 HydrophobicContact CZ-CG 4.4Å; F84-L88 WeakPolarHBondContact O-CG 2.84Å; F84-L88 PolarHBondContact O-N 3.23Å; I85-L88 PolarHBondContact O-N 3.38Å; L88-C91 PolarHBondContact O-N 3.42Å; L88-N92 WeakPolarHBondContact O-CB 3.44Å; L88-N92 PolarHBondContact O-N 2.93Å; L88-L104 HydrophobicContact CD2-CD1 4.27Å; L88-L104 HydrophobicContact CD2-CD2 3.89Å; L88-F119 HydrophobicContact CD2-CE1 4.11Å; L88-F119 HydrophobicContact CD2-CZ 4.03Å; L88-I121 HydrophobicContact CD2-CD1 4.29Å
89N95.1Very high91.8Very high44 Ų4458.9 Ų58.924%0.23531%0.311CS..Hα-helixtrans-69.9-33.6175-75.5-64.6000112.5K7 I85 D86 L87 N92 L93K7-N89 PolarHBondContact NZ-OD1 3.49Å; I85-N89 VanDerWaalsContact CG2-ND2 3.32Å; I85-N89 WeakPolarHBondContact CG2-ND2 3.44Å; I85-N89 PolarHBondContact O-N 3.14Å; I85-N89 PolarHBondContact O-ND2 3.3Å; D86-N89 PolarHBondContact O-N 2.76Å; L87-N89 VanDerWaalsContact C-N 3.32Å; L87-N89 PolarHBondContact O-N 3.26Å; N89-N92 WeakPolarHBondContact O-CB 3.47Å; N89-N92 PolarHBondContact O-N 3.46Å; N89-L93 VanDerWaalsContact O-CG 3.28Å; N89-L93 WeakPolarHBondContact O-CG 3.46Å; N89-L93 PolarHBondContact O-N 3.19Å
90L93.9Very high91.4Very high65 Ų6557.3 Ų57.334%0.3430%0.3SS..Hα-helixtrans-60.8-45.4170.4-70.4174000111.4D86 L87 N92 L93 E94 F102D86-L90 PolarHBondContact O-N 2.77Å; L87-L90 HydrophobicContact CD2-CD1 4.44Å; L87-L90 PolarHBondContact O-N 3.3Å; L90-N92 PolarHBondContact O-N 3.44Å; L90-L93 PolarHBondContact O-N 3.18Å; L90-E94 PolarHBondContact O-N 2.97Å; L90-F102 HydrophobicContact CB-CB 4.37Å; L90-F102 HydrophobicContact CB-CD2 4.17Å; L90-F102 HydrophobicContact CB-CG 4.09Å; L90-F102 HydrophobicContact CD1-CE1 4.25Å; L90-F102 HydrophobicContact CD1-CE2 4.26Å; L90-F102 HydrophobicContact CD1-CZ 4.12Å
91C93.1Very high91.2Very high5 Ų563.3 Ų63.33%0.03432%0.322CS..Hα-helixtrans-61.6-42.5174.9-570000111.7L87 L88 L93 E94 Q95 L104L87-C91 PolarHBondContact O-N 3.12Å; L87-C91 VanDerWaalsContact O-N 3.14Å; L87-C91 PolarHBondContact O-SG 3.35Å; L88-C91 PolarHBondContact O-N 3.42Å; C91-L93 VanDerWaalsContact C-N 3.28Å; C91-L93 PolarHBondContact O-N 3.32Å; C91-E94 PolarHBondContact O-N 3.33Å; C91-Q95 PolarHBondContact O-N 3.3Å; C91-L104 HydrophobicContact CB-CD1 4.11Å; C91-L104 HydrophobicContact CB-CD2 4.05Å; C91-L104 HydrophobicContact CB-CG 3.8Å; C91-L104 VanDerWaalsContact SG-CD2 3.53Å
92N93.1Very high91.1Very high39 Ų3963.5 Ų63.521%0.20932%0.322CS..Hα-helixtrans-61.7-32.1175.9-170.5118.1000112.9L9 L88 N89 L90 Q95L9-N92 HydrophobicContact CD2-CB 3.69Å; L9-N92 WeakPolarHBondContact CD2-OD1 3.1Å; L88-N92 WeakPolarHBondContact O-CB 3.44Å; L88-N92 PolarHBondContact O-N 2.93Å; N89-N92 WeakPolarHBondContact O-CB 3.47Å; N89-N92 PolarHBondContact O-N 3.46Å; L90-N92 PolarHBondContact O-N 3.44Å; N92-Q95 PolarHBondContact O-NE2 3.21Å
93L91.9Very high91Very high138 Ų13859.7 Ų59.772%0.72331%0.305SS*.Hα-helixtrans-76.6-24.2180-75.6166.6000112.7N89 L90 C91N89-L93 VanDerWaalsContact O-CG 3.28Å; N89-L93 WeakPolarHBondContact O-CG 3.46Å; N89-L93 PolarHBondContact O-N 3.19Å; L90-L93 PolarHBondContact O-N 3.18Å; C91-L93 VanDerWaalsContact C-N 3.28Å; C91-L93 PolarHBondContact O-N 3.32Å
94E88.9Confident91Very high51 Ų5155 Ų5524%0.23829%0.285CS..Hα-helixtrans-109.2-5.5-174.9-64.1-173.2-17700114.3L90 C91 D96 S97 P100 R101 F102L90-E94 PolarHBondContact O-N 2.97Å; C91-E94 PolarHBondContact O-N 3.33Å; E94-D96 PolarHBondContact O-N 3.1Å; E94-D96 VanDerWaalsContact O-N 3.09Å; E94-S97 WeakPolarHBondContact O-CB 3.43Å; E94-S97 PolarHBondContact O-N 3.25Å; E94-P100 HydrophobicContact CB-CB 4.32Å; E94-R101 VanDerWaalsContact OE2-CA 3.26Å; E94-R101 WeakPolarHBondContact OE2-CA 3.48Å; E94-R101 VanDerWaalsContact OE2-CB 3.24Å; E94-R101 WeakPolarHBondContact OE2-CB 3.14Å; E94-R101 PolarHBondContact OE2-N 3.17Å; E94-F102 PolarHBondContact OE2-N 3.03Å
95Q85Confident90.8Very high40 Ų4056.5 Ų56.519%0.18729%0.292CS..THydrogen-bonded Turntrans-59.8-22.1-175.367.8-170.3-8.900115.7Q10 C91 N92Q10-Q95 HydrophobicContact CB-CB 3.99Å; Q10-Q95 VanDerWaalsContact N-OE1 3.13Å; Q10-Q95 PolarHBondContact NE2-O 2.94Å; C91-Q95 PolarHBondContact O-N 3.3Å; N92-Q95 PolarHBondContact O-NE2 3.21Å
96D83.5Confident90.6Very high144 Ų14455.9 Ų55.977%0.7729%0.289SS*.THydrogen-bonded Turntrans-94.73.2176-58.5-55.3000112.9E94E94-D96 PolarHBondContact O-N 3.1Å; E94-D96 VanDerWaalsContact O-N 3.09Å
97S86.4Confident90.4Very high54 Ų5456.4 Ų56.438%0.37829%0.294SS..  trans-73.7142.5172.4-173.50000111.2E94 N99E94-S97 WeakPolarHBondContact O-CB 3.43Å; E94-S97 PolarHBondContact O-N 3.25Å; S97-N99 PolarHBondContact O-N 2.95Å; S97-N99 VanDerWaalsContact OG-C 3.23Å; S97-N99 PolarHBondContact OG-N 2.78Å; S97-N99 PolarHBondContact OG-O 2.83Å; S97-N99 VanDerWaalsContact OG-O 3.07Å
98D80.3Confident89.8Confident150 Ų15055.8 Ų55.880%0.80229%0.292SS*.SBendtrans-65.4-31.2169.7-172.960.5000111.6
99N81.4Confident88.8Confident131 Ų13159.4 Ų59.470%0.70131%0.309SS*.SBendtrans-13282.4174.5-75.1-93.3000109.1S97S97-N99 PolarHBondContact O-N 2.95Å; S97-N99 VanDerWaalsContact OG-C 3.23Å; S97-N99 PolarHBondContact OG-N 2.78Å; S97-N99 PolarHBondContact OG-O 2.83Å; S97-N99 VanDerWaalsContact OG-O 3.07Å
100P87.2Confident87.2Confident21 Ų2159.8 Ų59.814%0.13632%0.315CS..  trans-69.9135.1178.328.8-34.8000110.9E94 L103E94-P100 HydrophobicContact CB-CB 4.32Å; P100-L103 HydrophobicContact CB-CD2 3.95Å; P100-L103 HydrophobicContact CB-CG 4.35Å; P100-L103 HydrophobicContact CG-CD1 4.45Å; P100-L103 HydrophobicContact CG-CD2 3.41Å; P100-L103 VanDerWaalsContact CG-CD2 3.41Å; P100-L103 HydrophobicContact CG-CG 4Å
101R90.8Very high85.3Confident130 Ų13060 Ų6049%0.49132%0.319SS..SBendtrans-83-39.1174169.2-179.2177.9-158.3-2.8110.2E94 E123 T124E94-R101 VanDerWaalsContact OE2-CA 3.26Å; E94-R101 WeakPolarHBondContact OE2-CA 3.48Å; E94-R101 VanDerWaalsContact OE2-CB 3.24Å; E94-R101 WeakPolarHBondContact OE2-CB 3.14Å; E94-R101 PolarHBondContact OE2-N 3.17Å; R101-E123 HydrophobicContact CG-CG 3.83Å; R101-E123 IonicContact CZ-OE1 2.76Å; R101-E123 IonicContact NE-OE1 2.65Å; R101-E123 PolarHBondContact NE-OE1 3.19Å; R101-E123 IonicContact NH2-OE1 3.74Å; R101-E123 PolarHBondContact NH2-OE1 2.75Å; R101-E123 CarbonylContact O-C 3.54Å; R101-E123 VanDerWaalsContact O-CA 3.23Å; R101-E123 WeakPolarHBondContact O-CA 3.38Å; R101-T124 PolarHBondContact O-N 2.97Å
102F93.4Very high83.4Confident17 Ų1768.1 Ų68.18%0.07536%0.358CS..EExtended strand (participates in β ladder)trans-102.5126.9174.7-68.8-84000111.6L90 E94 E123 H132L90-F102 HydrophobicContact CB-CB 4.37Å; L90-F102 HydrophobicContact CB-CD2 4.17Å; L90-F102 HydrophobicContact CB-CG 4.09Å; L90-F102 HydrophobicContact CD1-CE1 4.25Å; L90-F102 HydrophobicContact CD1-CE2 4.26Å; L90-F102 HydrophobicContact CD1-CZ 4.12Å; E94-F102 PolarHBondContact OE2-N 3.03Å; F102-E123 HydrophobicContact CD1-CB 4.18Å; F102-E123 HydrophobicContact CD1-CG 4.48Å; F102-E123 HydrophobicContact CE1-CB 3.95Å; F102-E123 HydrophobicContact CE1-CG 4.05Å; F102-E123 HydrophobicContact CZ-CG 4.18Å; F102-H132 AromaticContact CE1-NE2 3.7Å
103L92.6Very high81.4Confident23 Ų2372.8 Ų72.812%0.1239%0.388CS..EExtended strand (participates in β ladder)trans-131.9146-171.7-79.1176.8000111.8H12 P100 V122H12-L103 WeakPolarHBondContact CE1-CD2 3.45Å; P100-L103 HydrophobicContact CB-CD2 3.95Å; P100-L103 HydrophobicContact CB-CG 4.35Å; P100-L103 HydrophobicContact CG-CD1 4.45Å; P100-L103 HydrophobicContact CG-CD2 3.41Å; P100-L103 VanDerWaalsContact CG-CD2 3.41Å; P100-L103 HydrophobicContact CG-CG 4Å; L103-V122 HydrophobicContact CB-CB 4.35Å; L103-V122 PolarHBondContact N-O 2.95Å; L103-V122 PolarHBondContact O-N 2.89Å
104L94.5Very high79.8Confident2 Ų272.8 Ų72.81%0.0138%0.384CS..EExtended strand (participates in β ladder)trans-105.6127.4169.1-59.2177.2000109.1L9 V11 H12 L88 C91 F119 I121L9-L104 HydrophobicContact CB-CD1 3.74Å; L9-L104 HydrophobicContact CD1-CD1 3.67Å; L9-L104 HydrophobicContact CG-CD1 4.34Å; V11-L104 HydrophobicContact CB-CB 4.3Å; V11-L104 HydrophobicContact CG1-CB 4.16Å; V11-L104 HydrophobicContact CG2-CB 3.9Å; V11-L104 HydrophobicContact CG2-CD1 3.95Å; H12-L104 PolarHBondContact N-O 2.89Å; H12-L104 PolarHBondContact ND1-O 2.57Å; L88-L104 HydrophobicContact CD2-CD1 4.27Å; L88-L104 HydrophobicContact CD2-CD2 3.89Å; C91-L104 HydrophobicContact CB-CD1 4.11Å; C91-L104 HydrophobicContact CB-CD2 4.05Å; C91-L104 HydrophobicContact CB-CG 3.8Å; C91-L104 VanDerWaalsContact SG-CD2 3.53Å; L104-F119 HydrophobicContact CB-CE2 4.13Å; L104-F119 HydrophobicContact CB-CZ 4.45Å; L104-F119 HydrophobicContact CD1-CE2 4.38Å; L104-F119 HydrophobicContact CD1-CZ 4.11Å; L104-F119 HydrophobicContact CD2-CE2 4.31Å; L104-F119 HydrophobicContact CD2-CZ 3.82Å; L104-F119 HydrophobicContact CG-CZ 4.35Å; L104-I121 HydrophobicContact CD2-CB 4.43Å; L104-I121 HydrophobicContact CD2-CG1 3.55Å
105H92.7Very high79Confident35 Ų3571.5 Ų71.516%0.16239%0.385CS..EExtended strand (participates in β ladder)trans-121.3138.9173.7-65-108000110.1H12 E20 F119 S120 V122H12-H105 CarbonylContact O-C 3.53Å; H12-H105 WeakPolarHBondContact O-CA 3.33Å; E20-H105 IonicContact OE1-CE1 3.31Å; E20-H105 PolarHBondContact OE1-CE1 2.87Å; E20-H105 VanDerWaalsContact OE1-CE1 3.31Å; E20-H105 IonicContact OE1-ND1 2.77Å; E20-H105 PolarHBondContact OE1-ND1 2.86Å; H105-F119 CarbonylContact O-C 3.59Å; H105-F119 WeakPolarHBondContact O-CA 3.26Å; H105-S120 PolarHBondContact N-O 3.24Å; H105-S120 PolarHBondContact O-N 3.37Å; H105-V122 VanDerWaalsContact CD2-CG2 3.43Å; H105-V122 WeakPolarHBondContact CD2-CG2 3.33Å
106L92.6Very high78.9Confident0 Ų070.8 Ų70.80%038%0.384CS..EExtended strand (participates in β ladder)trans-125103.5175-176.370.4000109.3V11 H12 V13 K14 L45 F53 A117 T118 F119V11-L106 HydrophobicContact CG1-CB 3.67Å; H12-L106 PolarHBondContact O-N 3.19Å; V13-L106 WeakPolarHBondContact CA-O 3.35Å; V13-L106 HydrophobicContact CG2-CB 4.35Å; V13-L106 HydrophobicContact CG2-CD2 4.37Å; K14-L106 PolarHBondContact N-O 2.68Å; L45-L106 HydrophobicContact CD1-CD1 3.77Å; L45-L106 HydrophobicContact CD1-CD2 4.37Å; F53-L106 HydrophobicContact CZ-CD2 3.72Å; L106-A117 HydrophobicContact CD1-CB 3.72Å; L106-A117 HydrophobicContact CG-CB 4.26Å; L106-T118 CarbonylContact C-O 3.58Å; L106-T118 WeakPolarHBondContact CA-O 3.39Å; L106-F119 HydrophobicContact CB-CD2 4.48Å; L106-F119 HydrophobicContact CD1-CB 3.82Å; L106-F119 HydrophobicContact CD1-CD2 4.16Å; L106-F119 HydrophobicContact CD1-CG 4.48Å
107T90.1Very high79.3Confident62 Ų6264 Ų6438%0.3835%0.348SS..EExtended strand (participates in β ladder)trans-95.1106.3177.8-58.40000110.1K14 A117 T118K14-T107 WeakPolarHBondContact O-CA 3.42Å; T107-A117 CarbonylContact O-C 3.6Å; T107-A117 WeakPolarHBondContact O-CA 3.47Å; T107-T118 PolarHBondContact N-O 2.81Å; T107-T118 PolarHBondContact O-N 3.43Å
108C83.7Confident79.6Confident20 Ų2063 Ų6314%0.13534%0.339CS..EExtended strand (participates in β ladder)trans-86121.7179.2-630000110.7K14K14-C108 PolarHBondContact O-N 3.31Å
109Q75.8Confident80.3Confident76 Ų7655.9 Ų55.936%0.35530%0.302SS..EExtended strand (participates in β ladder)trans-96109178.2-56-167.325.900110.2T111 C116Q109-T111 PolarHBondContact O-N 2.89Å; Q109-C116 PolarHBondContact N-O 3.15Å
110S59.8Low80.9Confident53 Ų5350.4 Ų50.437%0.37127%0.273SS..  trans-70.1111166-173.60000109.9K16K16-S110 PolarHBondContact NZ-O 2.78Å
111T55.5Low81.3Confident68 Ų6849.5 Ų49.542%0.41727%0.267SS..  trans-134.4132.8172.125.70000107.8Q109 V113 E114Q109-T111 PolarHBondContact O-N 2.89Å; T111-V113 PolarHBondContact O-N 2.93Å; T111-E114 PolarHBondContact OG1-O 2.86Å
112M51.8Low81.5Confident176 Ų17643.6 Ų43.687%0.86725%0.246SC*.SBendtrans-68.612.8-162.2-62.6-83.990.600116.5
113V52.6Low81.5Confident138 Ų13843.6 Ų43.684%0.83625%0.246SC*.SBendtrans-136.5-43.1-175.5-171.50000111.4T111T111-V113 PolarHBondContact O-N 2.93Å
114E58.4Low81.4Confident137 Ų13744.7 Ų44.764%0.6425%0.254SS*.  trans-135.6130.5176.8-67.8178.5172.500110.1T111T111-E114 PolarHBondContact OG1-O 2.86Å
115G71.9Confident81Confident25 Ų2549 Ų4926%0.25828%0.277SS..  trans-83.6108.8171.600000109.9Q139G115-Q139 WeakPolarHBondContact O-CB 3.46Å; G115-Q139 PolarHBondContact O-N 2.81Å
116C82.8Confident80.7Confident25 Ų2552.8 Ų52.817%0.16931%0.314CS..EExtended strand (participates in β ladder)trans-116.6145.6175.369.20000111.2Q109 L137Q109-C116 PolarHBondContact N-O 3.15Å; C116-L137 WeakPolarHBondContact CA-O 3.28Å
117A90.7Very high80.4Confident0 Ų061.8 Ų61.80%035%0.353CS..EExtended strand (participates in β ladder)trans-129.8137.7179.500000110.7F55 L106 T107 R136 L137F55-A117 HydrophobicContact CD1-CB 3.76Å; F55-A117 HydrophobicContact CE1-CB 3.6Å; F55-A117 HydrophobicContact CZ-CB 4.27Å; L106-A117 HydrophobicContact CD1-CB 3.72Å; L106-A117 HydrophobicContact CG-CB 4.26Å; T107-A117 CarbonylContact O-C 3.6Å; T107-A117 WeakPolarHBondContact O-CA 3.47Å; A117-R136 CarbonylContact O-C 3.49Å; A117-R136 WeakPolarHBondContact O-CA 3.26Å; A117-L137 PolarHBondContact N-O 2.63Å; A117-L137 PolarHBondContact O-N 2.71Å
118T92.9Very high80.3Confident33 Ų3364.8 Ų64.820%0.20236%0.361CS..EExtended strand (participates in β ladder)trans-99.1113.7174-52.40000108.9L106 T107 L135L106-T118 CarbonylContact C-O 3.58Å; L106-T118 WeakPolarHBondContact CA-O 3.39Å; T107-T118 PolarHBondContact N-O 2.81Å; T107-T118 PolarHBondContact O-N 3.43Å; T118-L135 CarbonylContact C-O 3.54Å; T118-L135 WeakPolarHBondContact CA-O 3.44Å
119F95.1Very high80.6Confident2 Ų269.6 Ų69.61%0.00938%0.381CS..EExtended strand (participates in β ladder)trans-97.8112.3175.4-179.9-111.4000109.5V11 V27 L45 F84 L88 L104 H105 L106 S134 L135 L137V11-F119 HydrophobicContact CG1-CE2 4.24Å; V11-F119 HydrophobicContact CG2-CE2 4.17Å; V27-F119 HydrophobicContact CG2-CZ 4.32Å; L45-F119 HydrophobicContact CD1-CB 4.16Å; L45-F119 HydrophobicContact CD1-CD2 3.93Å; L45-F119 HydrophobicContact CD1-CE2 4.5Å; L45-F119 HydrophobicContact CD1-CG 4.05Å; L45-F119 HydrophobicContact CD2-CD2 4.44Å; L45-F119 HydrophobicContact CD2-CE2 4.25Å; L45-F119 HydrophobicContact CD2-CZ 4.31Å; F84-F119 HydrophobicContact CE2-CE1 4.09Å; F84-F119 HydrophobicContact CZ-CD1 4.49Å; F84-F119 HydrophobicContact CZ-CE1 4.03Å; L88-F119 HydrophobicContact CD2-CE1 4.11Å; L88-F119 HydrophobicContact CD2-CZ 4.03Å; L104-F119 HydrophobicContact CB-CE2 4.13Å; L104-F119 HydrophobicContact CB-CZ 4.45Å; L104-F119 HydrophobicContact CD1-CE2 4.38Å; L104-F119 HydrophobicContact CD1-CZ 4.11Å; L104-F119 HydrophobicContact CD2-CE2 4.31Å; L104-F119 HydrophobicContact CD2-CZ 3.82Å; L104-F119 HydrophobicContact CG-CZ 4.35Å; H105-F119 CarbonylContact O-C 3.59Å; H105-F119 WeakPolarHBondContact O-CA 3.26Å; L106-F119 HydrophobicContact CB-CD2 4.48Å; L106-F119 HydrophobicContact CD1-CB 3.82Å; L106-F119 HydrophobicContact CD1-CD2 4.16Å; L106-F119 HydrophobicContact CD1-CG 4.48Å; F119-S134 CarbonylContact O-C 3.58Å; F119-S134 WeakPolarHBondContact O-CA 3.22Å; F119-L135 PolarHBondContact N-O 3.31Å; F119-L135 PolarHBondContact O-N 2.93Å; F119-L137 HydrophobicContact CB-CD1 3.37Å; F119-L137 HydrophobicContact CG-CD1 4.31Å
120S94.6Very high81.4Confident15 Ų1569.5 Ų69.511%0.10538%0.383CS..EExtended strand (participates in β ladder)trans-116.9133.5-174.8-64.40000111.3H105 L133 S134H105-S120 PolarHBondContact N-O 3.24Å; H105-S120 PolarHBondContact O-N 3.37Å; S120-L133 VanDerWaalsContact CA-O 3.31Å; S120-L133 WeakPolarHBondContact CA-O 3.34Å; S120-S134 WeakPolarHBondContact CB-OG 3.19Å; S120-S134 WeakPolarHBondContact OG-CB 3.49Å; S120-S134 PolarHBondContact OG-OG 2.77Å
121I95.8Very high82.9Confident2 Ų271.9 Ų71.91%0.0139%0.392CS..EExtended strand (participates in β ladder)trans-90123.6163.7-66153.6000107.1F84 L87 L88 L104 H132 L133F84-I121 HydrophobicContact CD2-CD1 3.69Å; F84-I121 HydrophobicContact CE2-CD1 3.65Å; L87-I121 HydrophobicContact CB-CD1 3.76Å; L87-I121 HydrophobicContact CB-CG2 4.29Å; L87-I121 HydrophobicContact CD1-CD1 4.12Å; L87-I121 HydrophobicContact CD2-CG2 4.49Å; L88-I121 HydrophobicContact CD2-CD1 4.29Å; L104-I121 HydrophobicContact CD2-CB 4.43Å; L104-I121 HydrophobicContact CD2-CG1 3.55Å; I121-H132 HydrophobicContact CB-CB 4.41Å; I121-H132 HydrophobicContact CG2-CB 4.06Å; I121-H132 PolarHBondContact O-N 3.38Å; I121-L133 HydrophobicContact CB-CB 4.5Å; I121-L133 HydrophobicContact CD1-CB 4.11Å; I121-L133 HydrophobicContact CD1-CD2 4.22Å; I121-L133 PolarHBondContact N-O 3.22Å
122V93.8Very high84.7Confident7 Ų771.8 Ų71.84%0.04239%0.386CS..EExtended strand (participates in β ladder)trans-125131.5-170.3-173.60000109.3L103 H105 H129 L130L103-V122 HydrophobicContact CB-CB 4.35Å; L103-V122 PolarHBondContact N-O 2.95Å; L103-V122 PolarHBondContact O-N 2.89Å; H105-V122 VanDerWaalsContact CD2-CG2 3.43Å; H105-V122 WeakPolarHBondContact CD2-CG2 3.33Å; V122-H129 HydrophobicContact CG1-CB 3.66Å; V122-L130 CarbonylContact C-O 3.55Å; V122-L130 WeakPolarHBondContact CA-O 3.49Å
123E93.9Very high86.8Confident16 Ų1663.7 Ų63.78%0.07535%0.347CS..EExtended strand (participates in β ladder)trans-102121.1168-179.3-176.516700110.3R101 F102 H129 L130 H132R101-E123 HydrophobicContact CG-CG 3.83Å; R101-E123 IonicContact CZ-OE1 2.76Å; R101-E123 IonicContact NE-OE1 2.65Å; R101-E123 PolarHBondContact NE-OE1 3.19Å; R101-E123 IonicContact NH2-OE1 3.74Å; R101-E123 PolarHBondContact NH2-OE1 2.75Å; R101-E123 CarbonylContact O-C 3.54Å; R101-E123 VanDerWaalsContact O-CA 3.23Å; R101-E123 WeakPolarHBondContact O-CA 3.38Å; F102-E123 HydrophobicContact CD1-CB 4.18Å; F102-E123 HydrophobicContact CD1-CG 4.48Å; F102-E123 HydrophobicContact CE1-CB 3.95Å; F102-E123 HydrophobicContact CE1-CG 4.05Å; F102-E123 HydrophobicContact CZ-CG 4.18Å; E123-H129 CarbonylContact O-C 3.56Å; E123-H129 WeakPolarHBondContact O-CA 3.38Å; E123-L130 HydrophobicContact CB-CB 4.39Å; E123-L130 PolarHBondContact N-O 3.2Å; E123-L130 PolarHBondContact O-N 3.13Å; E123-H132 VanDerWaalsContact CB-NE2 3.34Å; E123-H132 WeakPolarHBondContact CB-NE2 3.47Å; E123-H132 IonicContact OE2-CD2 3.69Å; E123-H132 IonicContact OE2-CE1 2.67Å; E123-H132 PolarHBondContact OE2-CE1 3.04Å; E123-H132 IonicContact OE2-NE2 3.57Å; E123-H132 PolarHBondContact OE2-NE2 3.32Å
124T90.5Very high88.8Confident46 Ų4658.6 Ų58.628%0.28232%0.317SS..EExtended strand (participates in β ladder)trans-84109.6171.8-60.10000109.6R101 H129R101-T124 PolarHBondContact O-N 2.97Å; T124-H129 PolarHBondContact OG1-CE1 3.48Å; T124-H129 PolarHBondContact OG1-ND1 3.3Å
125N87Confident90.5Very high93 Ų9352 Ų5250%0.49729%0.286SS..EExtended strand (participates in β ladder)trans-103.5158170.9-163.6-57.1000109.2F127 K128N125-F127 PolarHBondContact O-N 3.46Å; N125-K128 WeakPolarHBondContact CB-O 3.31Å; N125-K128 PolarHBondContact N-O 3.3Å; N125-K128 PolarHBondContact O-N 3.26Å; N125-K128 VanDerWaalsContact O-N 3.07Å
126A85.4Confident91.6Very high114 Ų11459 Ų5994%0.94231%0.305SS*.THydrogen-bonded Turntrans-58.6-9.9-17400000115.7
127F86.9Confident92.1Very high189 Ų18957.8 Ų57.883%0.82930%0.297SS*.THydrogen-bonded Turntrans-114.5-27174.7179.9-107.9000114.4N125N125-F127 PolarHBondContact O-N 3.46Å
128K88.4Confident92.1Very high125 Ų12562.2 Ų62.254%0.54332%0.319SS..EExtended strand (participates in β ladder)trans-166.2162-173.766.4172.8-174.3172.60112.7N125N125-K128 WeakPolarHBondContact CB-O 3.31Å; N125-K128 PolarHBondContact N-O 3.3Å; N125-K128 PolarHBondContact O-N 3.26Å; N125-K128 VanDerWaalsContact O-N 3.07Å
129H88.4Confident92Very high121 Ų12165.3 Ų65.356%0.5633%0.332SS*.EExtended strand (participates in β ladder)trans-78.5145.5162-55.9-70.2000111.3V122 E123 T124V122-H129 HydrophobicContact CG1-CB 3.66Å; E123-H129 CarbonylContact O-C 3.56Å; E123-H129 WeakPolarHBondContact O-CA 3.38Å; T124-H129 PolarHBondContact OG1-CE1 3.48Å; T124-H129 PolarHBondContact OG1-ND1 3.3Å
130L92.2Very high91.7Very high75 Ų7565.8 Ų65.839%0.39334%0.337SS..EExtended strand (participates in β ladder)trans-128.3118.7178.8174.968.3000109.4V122 E123 H132V122-L130 CarbonylContact C-O 3.55Å; V122-L130 WeakPolarHBondContact CA-O 3.49Å; E123-L130 HydrophobicContact CB-CB 4.39Å; E123-L130 PolarHBondContact N-O 3.2Å; E123-L130 PolarHBondContact O-N 3.13Å; L130-H132 PolarHBondContact O-N 3.41Å
131N91.8Very high91.5Very high102 Ų10267.6 Ų67.655%0.54535%0.35SS..EExtended strand (participates in β ladder)trans-77.4122.3175-63.2-26.8000109.9
132H93.3Very high91.2Very high67 Ų6774.3 Ų74.331%0.3138%0.381SS..EExtended strand (participates in β ladder)trans-87.4-34.8172.9-80.5-86.4000112.4L87 F102 I121 E123 L130L87-H132 HydrophobicContact CD1-CB 4.18Å; L87-H132 HydrophobicContact CD2-CB 4.22Å; F102-H132 AromaticContact CE1-NE2 3.7Å; I121-H132 HydrophobicContact CB-CB 4.41Å; I121-H132 HydrophobicContact CG2-CB 4.06Å; I121-H132 PolarHBondContact O-N 3.38Å; E123-H132 VanDerWaalsContact CB-NE2 3.34Å; E123-H132 WeakPolarHBondContact CB-NE2 3.47Å; E123-H132 IonicContact OE2-CD2 3.69Å; E123-H132 IonicContact OE2-CE1 2.67Å; E123-H132 PolarHBondContact OE2-CE1 3.04Å; E123-H132 IonicContact OE2-NE2 3.57Å; E123-H132 PolarHBondContact OE2-NE2 3.32Å; L130-H132 PolarHBondContact O-N 3.41Å
133L95.6Very high91.1Very high6 Ų680.3 Ų80.33%0.03141%0.406CS..EExtended strand (participates in β ladder)trans-153.3150.3177.3-166.769.6000108.6L73 F80 F84 S120 I121 L135L73-L133 HydrophobicContact CD1-CD1 4.22Å; L73-L133 HydrophobicContact CD2-CD1 4.1Å; F80-L133 HydrophobicContact CE2-CD1 3.9Å; F80-L133 HydrophobicContact CE2-CD2 4.18Å; F80-L133 HydrophobicContact CZ-CD1 4.32Å; F80-L133 HydrophobicContact CZ-CD2 4.14Å; F84-L133 HydrophobicContact CB-CD2 4.5Å; F84-L133 HydrophobicContact CD2-CD2 3.47Å; F84-L133 VanDerWaalsContact CD2-CD2 3.47Å; F84-L133 HydrophobicContact CE2-CD2 3.82Å; F84-L133 HydrophobicContact CG-CD2 4.03Å; S120-L133 VanDerWaalsContact CA-O 3.31Å; S120-L133 WeakPolarHBondContact CA-O 3.34Å; I121-L133 HydrophobicContact CB-CB 4.5Å; I121-L133 HydrophobicContact CD1-CB 4.11Å; I121-L133 HydrophobicContact CD1-CD2 4.22Å; I121-L133 PolarHBondContact N-O 3.22Å; L133-L135 HydrophobicContact CD1-CD2 4.31Å; L133-L135 HydrophobicContact CD2-CD1 4.07Å; L133-L135 HydrophobicContact CD2-CD2 4.04Å; L133-L135 HydrophobicContact CD2-CG 3.94Å; L133-L135 HydrophobicContact CG-CD2 4.04Å; L133-L135 HydrophobicContact CG-CG 4.12Å
134S95.4Very high91Very high30 Ų3083.4 Ų83.421%0.2142%0.421CS..EExtended strand (participates in β ladder)trans-146.895.3175.8-69.40000110.9Q71 F119 S120Q71-S134 PolarHBondContact NE2-O 3.08Å; F119-S134 CarbonylContact O-C 3.58Å; F119-S134 WeakPolarHBondContact O-CA 3.22Å; S120-S134 WeakPolarHBondContact CB-OG 3.19Å; S120-S134 WeakPolarHBondContact OG-CB 3.49Å; S120-S134 PolarHBondContact OG-OG 2.77Å
135L94.9Very high91.1Very high0 Ų081.7 Ų81.70%041%0.41CS..EExtended strand (participates in β ladder)trans-89.2137.3-177.6-60.2-176.5000110.4V43 L57 I59 L67 F80 F84 T118 F119 L133 L137V43-L135 HydrophobicContact CG2-CD1 4.34Å; L57-L135 HydrophobicContact CD2-CB 3.77Å; L57-L135 HydrophobicContact CD2-CD1 4.36Å; L57-L135 HydrophobicContact CD2-CD2 4.23Å; L57-L135 HydrophobicContact CD2-CG 4.33Å; I59-L135 HydrophobicContact CD1-CD2 4.47Å; L67-L135 HydrophobicContact CD1-CD2 4.32Å; L67-L135 HydrophobicContact CD2-CD2 4.02Å; F80-L135 HydrophobicContact CZ-CD2 4.43Å; F84-L135 HydrophobicContact CE1-CD1 3.83Å; F84-L135 HydrophobicContact CE2-CD1 4.12Å; F84-L135 HydrophobicContact CZ-CD1 3.59Å; T118-L135 CarbonylContact C-O 3.54Å; T118-L135 WeakPolarHBondContact CA-O 3.44Å; F119-L135 PolarHBondContact N-O 3.31Å; F119-L135 PolarHBondContact O-N 2.93Å; L133-L135 HydrophobicContact CD1-CD2 4.31Å; L133-L135 HydrophobicContact CD2-CD1 4.07Å; L133-L135 HydrophobicContact CD2-CD2 4.04Å; L133-L135 HydrophobicContact CD2-CG 3.94Å; L133-L135 HydrophobicContact CG-CD2 4.04Å; L133-L135 HydrophobicContact CG-CG 4.12Å; L135-L137 HydrophobicContact CB-CD1 4.36Å
136R93.1Very high91.4Very high171 Ų17182.7 Ų82.765%0.64541%0.41SS*.EExtended strand (participates in β ladder)trans-100.1108.3172.9-174-174.4-59.21794109.1L57 A117L57-R136 WeakPolarHBondContact CD1-O 3.32Å; A117-R136 CarbonylContact O-C 3.49Å; A117-R136 WeakPolarHBondContact O-CA 3.26Å
137L93.4Very high91.8Very high0 Ų082.5 Ų82.50%039%0.39CS..EExtended strand (participates in β ladder)trans-94.9155.9174.8-57.295.5000111V43 L45 F55 T56 L57 C116 A117 F119 L135V43-L137 HydrophobicContact CG1-CD2 4.38Å; L45-L137 HydrophobicContact CD1-CD1 3.84Å; L45-L137 HydrophobicContact CD1-CD2 3.83Å; L45-L137 HydrophobicContact CD1-CG 4.45Å; L45-L137 HydrophobicContact CG-CD2 3.78Å; F55-L137 HydrophobicContact CB-CB 3.89Å; F55-L137 HydrophobicContact CB-CD2 4.1Å; T56-L137 WeakPolarHBondContact O-CA 3.28Å; T56-L137 WeakPolarHBondContact O-CB 3.49Å; L57-L137 HydrophobicContact CB-CB 4.38Å; L57-L137 HydrophobicContact CB-CD2 4.11Å; L57-L137 HydrophobicContact CB-CG 3.84Å; C116-L137 WeakPolarHBondContact CA-O 3.28Å; A117-L137 PolarHBondContact N-O 2.63Å; A117-L137 PolarHBondContact O-N 2.71Å; F119-L137 HydrophobicContact CB-CD1 3.37Å; F119-L137 HydrophobicContact CG-CD1 4.31Å; L135-L137 HydrophobicContact CB-CD1 4.36Å
138I91.9Very high92Very high92 Ų9275.9 Ų75.947%0.47236%0.36SS..EExtended strand (participates in β ladder)trans-106140.7175.3-56.1173.5000107.6F55 T56F55-I138 CarbonylContact C-O 3.56Å; F55-I138 VanDerWaalsContact CA-O 3.28Å; F55-I138 WeakPolarHBondContact CA-O 3.48Å; T56-I138 PolarHBondContact N-O 2.93Å; T56-I138 PolarHBondContact O-N 2.82Å
139Q90.7Very high92.2Very high99 Ų9972.8 Ų72.846%0.46335%0.349SS..EExtended strand (participates in β ladder)trans-68.4129.5172.4-172.2175.7200109.7F55 G115 S141F55-Q139 HydrophobicContact CD1-CB 4.01Å; F55-Q139 HydrophobicContact CE1-CB 3.66Å; F55-Q139 HydrophobicContact CE1-CG 4.15Å; F55-Q139 HydrophobicContact CZ-CB 4.23Å; F55-Q139 HydrophobicContact CZ-CG 4.22Å; G115-Q139 WeakPolarHBondContact O-CB 3.46Å; G115-Q139 PolarHBondContact O-N 2.81Å; Q139-S141 PolarHBondContact O-N 3.47Å
140G89.3Confident92.6Very high11 Ų1169.8 Ų69.811%0.11335%0.345CS..PPolyproline II helixtrans-60.9134.4-179.400000112L54L54-G140 PolarHBondContact O-N 2.92Å
141S90Very high92.5Very high54 Ų5469.1 Ų69.138%0.37835%0.35SS..PPolyproline II helixtrans-65.6162.2174.866.30000111.9Q139 K143 E144 V145Q139-S141 PolarHBondContact O-N 3.47Å; S141-K143 PolarHBondContact O-N 3.21Å; S141-E144 WeakPolarHBondContact CB-OE2 3.47Å; S141-E144 PolarHBondContact N-OE2 3.36Å; S141-E144 PolarHBondContact O-N 3.46Å; S141-E144 WeakPolarHBondContact OG-CG 3.42Å; S141-E144 PolarHBondContact OG-N 3.36Å; S141-E144 PolarHBondContact OG-OE2 3.49Å; S141-V145 WeakPolarHBondContact O-CG2 3.5Å; S141-V145 PolarHBondContact O-N 3.19Å
142E89.4Confident92.5Very high143 Ų14366.1 Ų66.167%0.66834%0.337SS*.Hα-helixtrans-54.5-29.4176.7-158.9-150.7-176.200112.6K146E142-K146 WeakPolarHBondContact O-CB 3.46Å; E142-K146 WeakPolarHBondContact O-CD 3.22Å; E142-K146 WeakPolarHBondContact O-CG 3.32Å; E142-K146 PolarHBondContact O-N 2.84Å; E142-K146 VanDerWaalsContact OE1-CE 3.26Å; E142-K146 WeakPolarHBondContact OE1-CE 3.39Å; E142-K146 IonicContact OE1-NZ 3.78Å; E142-K146 PolarHBondContact OE1-NZ 2.8Å; E142-K146 IonicContact OE2-NZ 3.31Å; E142-K146 PolarHBondContact OE2-NZ 2.91Å
143K92.4Very high92.5Very high133 Ų13367.6 Ų67.658%0.57835%0.346SS*.Hα-helixtrans-69.4-52.8173.7-175.8-167.4163.8-164.90111.4S141 V145 K146 E147S141-K143 PolarHBondContact O-N 3.21Å; K143-V145 VanDerWaalsContact C-N 3.33Å; K143-V145 PolarHBondContact O-N 2.82Å; K143-K146 PolarHBondContact O-N 2.84Å; K143-K146 VanDerWaalsContact O-N 3.16Å; K143-E147 WeakPolarHBondContact CE-OE1 3.2Å; K143-E147 WeakPolarHBondContact CE-OE2 3.28Å; K143-E147 IonicContact NZ-OE1 2.81Å; K143-E147 IonicContact NZ-OE2 2.7Å; K143-E147 WeakPolarHBondContact O-CG 3.49Å; K143-E147 PolarHBondContact O-N 2.92Å
144E90.8Very high92.5Very high80 Ų8070.1 Ų70.137%0.37437%0.368SS..Hα-helixtrans-64.5-37.9-177.5-69.1160.211200111.8L54 S141 E147 Y148L54-E144 HydrophobicContact CD2-CB 4.49Å; S141-E144 WeakPolarHBondContact CB-OE2 3.47Å; S141-E144 PolarHBondContact N-OE2 3.36Å; S141-E144 PolarHBondContact O-N 3.46Å; S141-E144 WeakPolarHBondContact OG-CG 3.42Å; S141-E144 PolarHBondContact OG-N 3.36Å; S141-E144 PolarHBondContact OG-OE2 3.49Å; E144-E147 PolarHBondContact O-N 2.91Å; E144-Y148 VanDerWaalsContact O-CB 3.27Å; E144-Y148 WeakPolarHBondContact O-CB 3.47Å; E144-Y148 PolarHBondContact O-N 2.96Å
145V92.6Very high92.4Very high10 Ų1072.3 Ų72.36%0.06138%0.383CS..Hα-helixtrans-61-45.3172.5174.20000110.7Y52 L54 S141 K143 Y148 L149Y52-V145 HydrophobicContact CD1-CG1 4.1Å; L54-V145 HydrophobicContact CB-CG2 4.02Å; L54-V145 HydrophobicContact CD2-CG2 3.93Å; S141-V145 WeakPolarHBondContact O-CG2 3.5Å; S141-V145 PolarHBondContact O-N 3.19Å; K143-V145 VanDerWaalsContact C-N 3.33Å; K143-V145 PolarHBondContact O-N 2.82Å; V145-Y148 PolarHBondContact O-N 3.33Å; V145-L149 HydrophobicContact CG1-CD1 3.79Å; V145-L149 HydrophobicContact CG1-CG 4.3Å; V145-L149 WeakPolarHBondContact O-CB 3.46Å; V145-L149 VanDerWaalsContact O-CG 3.25Å; V145-L149 WeakPolarHBondContact O-CG 3.17Å; V145-L149 PolarHBondContact O-N 2.87Å
146K93.8Very high92.3Very high115 Ų11577.6 Ų77.650%0.541%0.411SS..Hα-helixtrans-63.7-41.6176-74.8168.1-173.5168.40112.5E142 K143 A150E142-K146 WeakPolarHBondContact O-CB 3.46Å; E142-K146 WeakPolarHBondContact O-CD 3.22Å; E142-K146 WeakPolarHBondContact O-CG 3.32Å; E142-K146 PolarHBondContact O-N 2.84Å; E142-K146 VanDerWaalsContact OE1-CE 3.26Å; E142-K146 WeakPolarHBondContact OE1-CE 3.39Å; E142-K146 IonicContact OE1-NZ 3.78Å; E142-K146 PolarHBondContact OE1-NZ 2.8Å; E142-K146 IonicContact OE2-NZ 3.31Å; E142-K146 PolarHBondContact OE2-NZ 2.91Å; K143-K146 PolarHBondContact O-N 2.84Å; K143-K146 VanDerWaalsContact O-N 3.16Å; K146-A150 WeakPolarHBondContact O-CB 3.31Å; K146-A150 PolarHBondContact O-N 2.99Å
147E93.5Very high92.5Very high109 Ų10975.5 Ų75.551%0.50941%0.407SS..Hα-helixtrans-67-41.9178.1-73177164.900111.6K143 E144 A151K143-E147 WeakPolarHBondContact CE-OE1 3.2Å; K143-E147 WeakPolarHBondContact CE-OE2 3.28Å; K143-E147 IonicContact NZ-OE1 2.81Å; K143-E147 IonicContact NZ-OE2 2.7Å; K143-E147 WeakPolarHBondContact O-CG 3.49Å; K143-E147 PolarHBondContact O-N 2.92Å; E144-E147 PolarHBondContact O-N 2.91Å; E147-A151 WeakPolarHBondContact O-CB 3.39Å; E147-A151 PolarHBondContact O-N 2.79Å
148Y91.1Very high92.6Very high51 Ų5178.2 Ų78.220%0.243%0.429CS..Hα-helixtrans-61.9-51.5173.5173.1-106.7000112.3M28 T46 L54 E144 V145 A150 A151 C152M28-Y148 HydrophobicContact CE-CE2 4.1Å; T46-Y148 HydrophobicContact CG2-CE1 3.91Å; L54-Y148 HydrophobicContact CD2-CG 4.36Å; E144-Y148 VanDerWaalsContact O-CB 3.27Å; E144-Y148 WeakPolarHBondContact O-CB 3.47Å; E144-Y148 PolarHBondContact O-N 2.96Å; V145-Y148 PolarHBondContact O-N 3.33Å; Y148-A150 VanDerWaalsContact C-N 3.32Å; Y148-A150 PolarHBondContact O-N 2.85Å; Y148-A151 PolarHBondContact O-N 3.24Å; Y148-C152 WeakPolarHBondContact CE2-SG 3.32Å; Y148-C152 PolarHBondContact O-N 3.37Å; Y148-C152 PolarHBondContact O-SG 3.02Å
149L93.4Very high92.8Very high59 Ų5979.8 Ų79.831%0.30943%0.434SS..Hα-helixtrans-64.2-36.3179.6-69.2175.6000111.9P51 V145 L153P51-L149 HydrophobicContact CB-CD1 4.27Å; P51-L149 HydrophobicContact CB-CD2 3.94Å; V145-L149 HydrophobicContact CG1-CD1 3.79Å; V145-L149 HydrophobicContact CG1-CG 4.3Å; V145-L149 WeakPolarHBondContact O-CB 3.46Å; V145-L149 VanDerWaalsContact O-CG 3.25Å; V145-L149 WeakPolarHBondContact O-CG 3.17Å; V145-L149 PolarHBondContact O-N 2.87Å; L149-L153 WeakPolarHBondContact O-CB 3.41Å; L149-L153 PolarHBondContact O-N 3.03Å
150A94.9Very high93.1Very high59 Ų5981.2 Ų81.249%0.48844%0.439SS..Hα-helixtrans-64.4-42.1173.800000112.2K146 Y148 A154K146-A150 WeakPolarHBondContact O-CB 3.31Å; K146-A150 PolarHBondContact O-N 2.99Å; Y148-A150 VanDerWaalsContact C-N 3.32Å; Y148-A150 PolarHBondContact O-N 2.85Å; A150-A154 VanDerWaalsContact O-CB 3.31Å; A150-A154 WeakPolarHBondContact O-CB 3.49Å; A150-A154 PolarHBondContact O-N 3Å
151A91.6Very high93.5Very high61 Ų6186.4 Ų86.450%0.50446%0.46SS..Hα-helixtrans-64.8-45.7175.900000112.1E147 Y148 A154 S155E147-A151 WeakPolarHBondContact O-CB 3.39Å; E147-A151 PolarHBondContact O-N 2.79Å; Y148-A151 PolarHBondContact O-N 3.24Å; A151-A154 PolarHBondContact O-N 3.4Å; A151-S155 PolarHBondContact O-N 3.35Å
152C91.9Very high93.8Very high39 Ų3985.6 Ų85.626%0.26446%0.457SS..Hα-helixtrans-61.5-46.1176.6-65.30000111.7Y148 A154 S155 L156Y148-C152 WeakPolarHBondContact CE2-SG 3.32Å; Y148-C152 PolarHBondContact O-N 3.37Å; Y148-C152 PolarHBondContact O-SG 3.02Å; C152-A154 VanDerWaalsContact C-N 3.32Å; C152-A154 PolarHBondContact O-N 3.4Å; C152-S155 PolarHBondContact O-N 2.66Å; C152-L156 WeakPolarHBondContact O-CB 3.43Å; C152-L156 WeakPolarHBondContact O-CG 3.42Å; C152-L156 PolarHBondContact O-N 2.8Å
153L93.6Very high94.2Very high97 Ų9784.2 Ų84.251%0.50845%0.454SS..Hα-helixtrans-68.3-29178.9-178.9142.7000112.8L149 K157L149-L153 WeakPolarHBondContact O-CB 3.41Å; L149-L153 PolarHBondContact O-N 3.03Å; L153-K157 HydrophobicContact CD2-CD 3.97Å; L153-K157 WeakPolarHBondContact O-CB 3.17Å; L153-K157 WeakPolarHBondContact O-CD 3.49Å; L153-K157 WeakPolarHBondContact O-CG 3.3Å; L153-K157 PolarHBondContact O-N 2.62Å
154A95.6Very high94.4Very high59 Ų5981.9 Ų81.949%0.48845%0.447SS..Hα-helixtrans-69.4-45.2169.900000111.6A150 A151 C152 K157 A158A150-A154 VanDerWaalsContact O-CB 3.31Å; A150-A154 WeakPolarHBondContact O-CB 3.49Å; A150-A154 PolarHBondContact O-N 3Å; A151-A154 PolarHBondContact O-N 3.4Å; C152-A154 VanDerWaalsContact C-N 3.32Å; C152-A154 PolarHBondContact O-N 3.4Å; A154-K157 PolarHBondContact O-N 2.9Å; A154-A158 PolarHBondContact O-N 2.85Å
155S92.6Very high94.7Very high76 Ų7685 Ų8553%0.53146%0.456SS..Hα-helixtrans-60-52.9177.1-167.20000111.7A151 C152 K157 A158 E159A151-S155 PolarHBondContact O-N 3.35Å; C152-S155 PolarHBondContact O-N 2.66Å; S155-K157 VanDerWaalsContact C-N 3.27Å; S155-K157 PolarHBondContact O-N 2.92Å; S155-A158 WeakPolarHBondContact O-CB 3.06Å; S155-A158 PolarHBondContact O-N 3.34Å; S155-E159 PolarHBondContact O-N 3.24Å
156L93Very high95Very high112 Ų11291 Ų9159%0.58648%0.481SS*.Hα-helixtrans-59.7-34.2178.8-70.2168.4000112.9C152 K160C152-L156 WeakPolarHBondContact O-CB 3.43Å; C152-L156 WeakPolarHBondContact O-CG 3.42Å; C152-L156 PolarHBondContact O-N 2.8Å; L156-K160 VanDerWaalsContact O-CB 3.3Å; L156-K160 WeakPolarHBondContact O-CB 3.29Å; L156-K160 PolarHBondContact O-N 3.04Å
157K96.6Very high95.2Very high126 Ų12691.6 Ų91.655%0.54848%0.484SS..Hα-helixtrans-69.1-41.2173.2-79.7176.1178.8-178.80112.3L153 A154 S155 Q161L153-K157 HydrophobicContact CD2-CD 3.97Å; L153-K157 WeakPolarHBondContact O-CB 3.17Å; L153-K157 WeakPolarHBondContact O-CD 3.49Å; L153-K157 WeakPolarHBondContact O-CG 3.3Å; L153-K157 PolarHBondContact O-N 2.62Å; A154-K157 PolarHBondContact O-N 2.9Å; S155-K157 VanDerWaalsContact C-N 3.27Å; S155-K157 PolarHBondContact O-N 2.92Å; K157-Q161 WeakPolarHBondContact O-CB 3.5Å; K157-Q161 VanDerWaalsContact O-CG 3.29Å; K157-Q161 WeakPolarHBondContact O-CG 3.48Å; K157-Q161 PolarHBondContact O-N 3.1Å
158A96.1Very high95.4Very high57 Ų5792.2 Ų92.247%0.47149%0.485SS..Hα-helixtrans-67.5-42.7177.500000111.7A154 S155 Q161 A162A154-A158 PolarHBondContact O-N 2.85Å; S155-A158 WeakPolarHBondContact O-CB 3.06Å; S155-A158 PolarHBondContact O-N 3.34Å; A158-Q161 PolarHBondContact O-N 3Å; A158-A162 PolarHBondContact O-N 2.83Å
159E95.7Very high95.7Very high125 Ų12595.6 Ų95.658%0.58450%0.503SS*.Hα-helixtrans-61.6-50.2174.4-176.7176.4-159.500111.2S155 Q161 A162 L163S155-E159 PolarHBondContact O-N 3.24Å; E159-Q161 VanDerWaalsContact C-N 3.32Å; E159-Q161 PolarHBondContact O-N 2.94Å; E159-A162 WeakPolarHBondContact O-CA 3.09Å; E159-A162 WeakPolarHBondContact O-CB 3.45Å; E159-A162 PolarHBondContact O-N 3.01Å; E159-L163 PolarHBondContact O-N 3.31Å
160K96.4Very high95.9Very high130 Ų13097.1 Ų97.157%0.56552%0.515SS*.Hα-helixtrans-54.5-48.5174.3177.3174.5176175.80111.3L156 A162 L163 D164L156-K160 VanDerWaalsContact O-CB 3.3Å; L156-K160 WeakPolarHBondContact O-CB 3.29Å; L156-K160 PolarHBondContact O-N 3.04Å; K160-A162 PolarHBondContact O-N 2.86Å; K160-L163 PolarHBondContact O-N 2.8Å; K160-L163 VanDerWaalsContact O-N 3.1Å; K160-D164 WeakPolarHBondContact CE-OD1 3.43Å; K160-D164 WeakPolarHBondContact CE-OD2 3.43Å; K160-D164 WeakPolarHBondContact CG-OD2 3.36Å; K160-D164 WeakPolarHBondContact O-CB 3.48Å; K160-D164 VanDerWaalsContact O-CG 3.28Å; K160-D164 PolarHBondContact O-N 3.26Å
161Q97.6Very high96.1Very high119 Ų11999 Ų9956%0.55651%0.513SS*.Hα-helixtrans-64.5-25.1178.7-75.11781.800113.4K157 A158 E159 R165K157-Q161 WeakPolarHBondContact O-CB 3.5Å; K157-Q161 VanDerWaalsContact O-CG 3.29Å; K157-Q161 WeakPolarHBondContact O-CG 3.48Å; K157-Q161 PolarHBondContact O-N 3.1Å; A158-Q161 PolarHBondContact O-N 3Å; E159-Q161 VanDerWaalsContact C-N 3.32Å; E159-Q161 PolarHBondContact O-N 2.94Å; Q161-R165 WeakPolarHBondContact O-CG 3.17Å; Q161-R165 PolarHBondContact O-NE 3.35Å; Q161-R165 PolarHBondContact O-NH2 3.18Å
162A97.1Very high96.4Very high37 Ų3799.2 Ų99.231%0.30651%0.506SS..Hα-helixtrans-77.6-37.7171.700000111.7A158 E159 K160 K166A158-A162 PolarHBondContact O-N 2.83Å; E159-A162 WeakPolarHBondContact O-CA 3.09Å; E159-A162 WeakPolarHBondContact O-CB 3.45Å; E159-A162 PolarHBondContact O-N 3.01Å; K160-A162 PolarHBondContact O-N 2.86Å; A162-K166 WeakPolarHBondContact O-CG 3.46Å; A162-K166 PolarHBondContact O-N 3.24Å
163L97.2Very high96.7Very high115 Ų115100.7 Ų100.760%0.60251%0.511SS*.Hα-helixtrans-70.8-45.3177.7-168.965.2000112.1E159 K160 R165 K166 F167E159-L163 PolarHBondContact O-N 3.31Å; K160-L163 PolarHBondContact O-N 2.8Å; K160-L163 VanDerWaalsContact O-N 3.1Å; L163-R165 PolarHBondContact O-N 3.06Å; L163-K166 PolarHBondContact O-N 2.79Å; L163-F167 WeakPolarHBondContact O-CB 3.49Å; L163-F167 PolarHBondContact O-N 3.4Å
164D97.8Very high96.9Very high83 Ų83101.6 Ų101.644%0.44452%0.516SS..Hα-helixtrans-57-38.5174.9-70-19.5000111.2K160 K168K160-D164 WeakPolarHBondContact CE-OD1 3.43Å; K160-D164 WeakPolarHBondContact CE-OD2 3.43Å; K160-D164 WeakPolarHBondContact CG-OD2 3.36Å; K160-D164 WeakPolarHBondContact O-CB 3.48Å; K160-D164 VanDerWaalsContact O-CG 3.28Å; K160-D164 PolarHBondContact O-N 3.26Å; D164-K168 PolarHBondContact O-N 2.96Å
165R97.7Very high97Very high147 Ų147102.6 Ų102.656%0.55552%0.518SS*.Hα-helixtrans-67.2-52.7174.4-85.8178.9-74.9176.2-2.7112.1Q161 L163 F167 K168 E169Q161-R165 WeakPolarHBondContact O-CG 3.17Å; Q161-R165 PolarHBondContact O-NE 3.35Å; Q161-R165 PolarHBondContact O-NH2 3.18Å; L163-R165 PolarHBondContact O-N 3.06Å; R165-F167 VanDerWaalsContact C-N 3.3Å; R165-F167 PolarHBondContact O-N 3.29Å; R165-K168 PolarHBondContact O-N 2.86Å; R165-E169 WeakPolarHBondContact O-CB 3.49Å; R165-E169 WeakPolarHBondContact O-CG 3.39Å; R165-E169 PolarHBondContact O-N 2.75Å
166K98.1Very high97.3Very high134 Ų134106 Ų10658%0.58352%0.519SS*.Hα-helixtrans-57-43.7177.7-75.6176.1177.6-179.40112.1A162 L163 E169 T170A162-K166 WeakPolarHBondContact O-CG 3.46Å; A162-K166 PolarHBondContact O-N 3.24Å; L163-K166 PolarHBondContact O-N 2.79Å; K166-E169 PolarHBondContact O-N 3.12Å; K166-T170 WeakPolarHBondContact O-CG2 3.49Å; K166-T170 PolarHBondContact O-N 3.44Å; K166-T170 PolarHBondContact O-OG1 2.86Å; K166-T170 VanDerWaalsContact O-OG1 3.12Å
167F97.1Very high97.5Very high129 Ų129105.9 Ų105.957%0.56652%0.516SS*.Hα-helixtrans-56.4-52.6176.4178.5-90.1000110.5L163 R165 E169 T170 E171L163-F167 WeakPolarHBondContact O-CB 3.49Å; L163-F167 PolarHBondContact O-N 3.4Å; R165-F167 VanDerWaalsContact C-N 3.3Å; R165-F167 PolarHBondContact O-N 3.29Å; F167-E169 PolarHBondContact O-N 3.19Å; F167-T170 PolarHBondContact O-N 3.44Å; F167-T170 PolarHBondContact O-OG1 3.19Å; F167-E171 WeakPolarHBondContact O-CB 3.33Å; F167-E171 PolarHBondContact O-N 3.37Å
168K98Very high97.6Very high121 Ų121104.8 Ų104.853%0.52652%0.516SS..Hα-helixtrans-63.5-39.7178.8-176.3167.1-177.1171.40113D164 R165 T170 E171 D172D164-K168 PolarHBondContact O-N 2.96Å; R165-K168 PolarHBondContact O-N 2.86Å; K168-T170 VanDerWaalsContact C-N 3.31Å; K168-T170 PolarHBondContact O-N 3.32Å; K168-E171 PolarHBondContact O-N 3.13Å; K168-D172 VanDerWaalsContact O-CB 3.3Å; K168-D172 WeakPolarHBondContact O-CB 3.3Å; K168-D172 PolarHBondContact O-N 2.87Å
169E98.2Very high97.7Very high122 Ų122105.5 Ų105.557%0.5752%0.517SS*.Hα-helixtrans-60-41175.2-73.7162.6-169.100111.3R165 K166 F167 D173R165-E169 WeakPolarHBondContact O-CB 3.49Å; R165-E169 WeakPolarHBondContact O-CG 3.39Å; R165-E169 PolarHBondContact O-N 2.75Å; K166-E169 PolarHBondContact O-N 3.12Å; F167-E169 PolarHBondContact O-N 3.19Å; E169-D173 WeakPolarHBondContact O-CB 3.26Å; E169-D173 PolarHBondContact O-N 2.95Å; E169-D173 VanDerWaalsContact O-N 3.15Å
170T97.6Very high97.8Very high92 Ų92107.1 Ų107.156%0.56452%0.519SS*.Hα-helixtrans-72.8-34.7174.854.10000113.9K166 F167 K168 L174K166-T170 WeakPolarHBondContact O-CG2 3.49Å; K166-T170 PolarHBondContact O-N 3.44Å; K166-T170 PolarHBondContact O-OG1 2.86Å; K166-T170 VanDerWaalsContact O-OG1 3.12Å; F167-T170 PolarHBondContact O-N 3.44Å; F167-T170 PolarHBondContact O-OG1 3.19Å; K168-T170 VanDerWaalsContact C-N 3.31Å; K168-T170 PolarHBondContact O-N 3.32Å; T170-L174 VanDerWaalsContact O-CB 3.26Å; T170-L174 WeakPolarHBondContact O-CB 3.29Å; T170-L174 PolarHBondContact O-N 2.98Å
171E98.4Very high97.9Very high98 Ų98104.8 Ų104.846%0.45852%0.516SS..Hα-helixtrans-66.1-48.9175.6-178.1178.6-154.600110.9F167 K168 D173 L174 C175F167-E171 WeakPolarHBondContact O-CB 3.33Å; F167-E171 PolarHBondContact O-N 3.37Å; K168-E171 PolarHBondContact O-N 3.13Å; E171-D173 VanDerWaalsContact C-N 3.34Å; E171-D173 PolarHBondContact O-N 2.89Å; E171-L174 PolarHBondContact O-N 3.44Å; E171-C175 WeakPolarHBondContact O-CB 3.42Å; E171-C175 PolarHBondContact O-N 3.17Å; E171-C175 PolarHBondContact O-SG 2.94Å
172D98.3Very high97.9Very high66 Ų66105.3 Ų105.335%0.35352%0.518SS..Hα-helixtrans-58.8-42.6176.6-92.3-3.4000111.6K168 R176K168-D172 VanDerWaalsContact O-CB 3.3Å; K168-D172 WeakPolarHBondContact O-CB 3.3Å; K168-D172 PolarHBondContact O-N 2.87Å; D172-R176 VanDerWaalsContact O-CG 3.26Å; D172-R176 WeakPolarHBondContact O-CG 3.29Å; D172-R176 PolarHBondContact O-N 2.91Å; D172-R176 IonicContact OD2-NH2 3.55Å
173D98.3Very high98Very high69 Ų69108.6 Ų108.637%0.36953%0.527SS..Hα-helixtrans-71.6-45.1179.5-163.367.1000112.5E169 E171 C175 R176 Q177E169-D173 WeakPolarHBondContact O-CB 3.26Å; E169-D173 PolarHBondContact O-N 2.95Å; E169-D173 VanDerWaalsContact O-N 3.15Å; E171-D173 VanDerWaalsContact C-N 3.34Å; E171-D173 PolarHBondContact O-N 2.89Å; D173-C175 VanDerWaalsContact C-N 3.26Å; D173-C175 PolarHBondContact O-N 2.97Å; D173-R176 WeakPolarHBondContact O-CB 3.47Å; D173-R176 PolarHBondContact O-N 3.43Å; D173-R176 IonicContact OD1-NH1 2.75Å; D173-Q177 WeakPolarHBondContact O-CG 3.46Å; D173-Q177 PolarHBondContact O-N 3.4Å; D173-Q177 PolarHBondContact OD2-NE2 3.12Å
174L97.8Very high98Very high117 Ų117105.2 Ų105.261%0.61351%0.511SS*.Hα-helixtrans-61.6-36.8176.9-166.768.8000111.4T170 E171 Q177 L178T170-L174 VanDerWaalsContact O-CB 3.26Å; T170-L174 WeakPolarHBondContact O-CB 3.29Å; T170-L174 PolarHBondContact O-N 2.98Å; E171-L174 PolarHBondContact O-N 3.44Å; L174-Q177 PolarHBondContact O-N 3.15Å; L174-L178 VanDerWaalsContact O-CB 3.29Å; L174-L178 WeakPolarHBondContact O-CB 3.35Å; L174-L178 PolarHBondContact O-N 3.03Å
175C98.2Very high98Very high79 Ų79106.8 Ų106.853%0.53452%0.519SS..Hα-helixtrans-63.9-38.2172.7-70.90000112.8E171 D173 S179E171-C175 WeakPolarHBondContact O-CB 3.42Å; E171-C175 PolarHBondContact O-N 3.17Å; E171-C175 PolarHBondContact O-SG 2.94Å; D173-C175 VanDerWaalsContact C-N 3.26Å; D173-C175 PolarHBondContact O-N 2.97Å; C175-S179 VanDerWaalsContact O-CB 3.29Å; C175-S179 WeakPolarHBondContact O-CB 3.26Å; C175-S179 PolarHBondContact O-N 3.32Å
176R98.3Very high98Very high147 Ų147101.8 Ų101.856%0.55551%0.507SS*.Hα-helixtrans-66.5-45.4174.2-68.2163.4-162.9141.66.8111.3D172 D173 S179 Y180D172-R176 VanDerWaalsContact O-CG 3.26Å; D172-R176 WeakPolarHBondContact O-CG 3.29Å; D172-R176 PolarHBondContact O-N 2.91Å; D172-R176 IonicContact OD2-NH2 3.55Å; D173-R176 WeakPolarHBondContact O-CB 3.47Å; D173-R176 PolarHBondContact O-N 3.43Å; D173-R176 IonicContact OD1-NH1 2.75Å; R176-S179 PolarHBondContact O-N 2.75Å; R176-Y180 WeakPolarHBondContact O-CB 3.4Å; R176-Y180 PolarHBondContact O-N 3.01Å
177Q98.2Very high98.1Very high110 Ų11099 Ų9951%0.51450%0.496SS..Hα-helixtrans-62.2-43.3177.7-67-171.534.200112D173 L174 Y180 T181D173-Q177 WeakPolarHBondContact O-CG 3.46Å; D173-Q177 PolarHBondContact O-N 3.4Å; D173-Q177 PolarHBondContact OD2-NE2 3.12Å; L174-Q177 PolarHBondContact O-N 3.15Å; Q177-Y180 PolarHBondContact O-N 2.89Å; Q177-T181 WeakPolarHBondContact O-CB 3.49Å; Q177-T181 WeakPolarHBondContact O-CG2 3.18Å; Q177-T181 PolarHBondContact O-N 3.47Å; Q177-T181 PolarHBondContact O-OG1 3.4Å
178L98.1Very high98.1Very high103 Ų10397.6 Ų97.654%0.53949%0.49SS..Hα-helixtrans-63.6-46.9175.9-172.8151.3000111.5L174 Y180 T181 Q182L174-L178 VanDerWaalsContact O-CB 3.29Å; L174-L178 WeakPolarHBondContact O-CB 3.35Å; L174-L178 PolarHBondContact O-N 3.03Å; L178-Y180 PolarHBondContact O-N 2.79Å; L178-T181 PolarHBondContact O-N 3.49Å; L178-T181 PolarHBondContact O-OG1 3.47Å; L178-T181 VanDerWaalsContact O-OG1 3.12Å; L178-Q182 WeakPolarHBondContact O-CB 3.37Å; L178-Q182 PolarHBondContact O-N 3.49Å
179S98.3Very high98.1Very high72 Ų7295.1 Ų95.150%0.50348%0.484SS..Hα-helixtrans-59.7-46.1176.7-175.30000112.2C175 R176 Q182 Q183C175-S179 VanDerWaalsContact O-CB 3.29Å; C175-S179 WeakPolarHBondContact O-CB 3.26Å; C175-S179 PolarHBondContact O-N 3.32Å; R176-S179 PolarHBondContact O-N 2.75Å; S179-Q182 PolarHBondContact O-N 2.93Å; S179-Q183 WeakPolarHBondContact O-CB 3.45Å; S179-Q183 PolarHBondContact O-N 3.01Å
180Y98.3Very high98.1Very high159 Ų15995.1 Ų95.162%0.62448%0.483SS*.Hα-helixtrans-62.2-51.2178.3176.5-105.2000112.2R176 Q177 L178 Q182 Q183 T184R176-Y180 WeakPolarHBondContact O-CB 3.4Å; R176-Y180 PolarHBondContact O-N 3.01Å; Q177-Y180 PolarHBondContact O-N 2.89Å; L178-Y180 PolarHBondContact O-N 2.79Å; Y180-Q182 VanDerWaalsContact C-N 3.35Å; Y180-Q182 PolarHBondContact O-N 2.92Å; Y180-Q183 PolarHBondContact O-N 3.44Å; Y180-T184 PolarHBondContact O-N 2.87Å; Y180-T184 PolarHBondContact O-OG1 3.41Å
181T97.2Very high98.1Very high82 Ų8295 Ų9550%0.50348%0.475SS..Hα-helixtrans-64.2-38.2179.250.50000112.2Q177 L178 T184 L185Q177-T181 WeakPolarHBondContact O-CB 3.49Å; Q177-T181 WeakPolarHBondContact O-CG2 3.18Å; Q177-T181 PolarHBondContact O-N 3.47Å; Q177-T181 PolarHBondContact O-OG1 3.4Å; L178-T181 PolarHBondContact O-N 3.49Å; L178-T181 PolarHBondContact O-OG1 3.47Å; L178-T181 VanDerWaalsContact O-OG1 3.12Å; T181-T184 PolarHBondContact O-N 2.96Å; T181-L185 VanDerWaalsContact O-CB 3.23Å; T181-L185 WeakPolarHBondContact O-CB 3.22Å; T181-L185 PolarHBondContact O-N 3.48Å
182Q98.3Very high98.1Very high129 Ų12994.9 Ų94.960%0.60348%0.478SS*.Hα-helixtrans-64.6-39.8173.7-172.7175.88.600112.1L178 S179 Y180 S186L178-Q182 WeakPolarHBondContact O-CB 3.37Å; L178-Q182 PolarHBondContact O-N 3.49Å; S179-Q182 PolarHBondContact O-N 2.93Å; Y180-Q182 VanDerWaalsContact C-N 3.35Å; Y180-Q182 PolarHBondContact O-N 2.92Å; Q182-S186 WeakPolarHBondContact O-CB 3.47Å; Q182-S186 PolarHBondContact O-N 3.39Å
183Q98.3Very high98.1Very high106 Ų10696.4 Ų96.450%0.49548%0.483SS..Hα-helixtrans-61.8-54.3173.6179178.1-19.700110.9S179 Y180 L185 S186 E187S179-Q183 WeakPolarHBondContact O-CB 3.45Å; S179-Q183 PolarHBondContact O-N 3.01Å; Y180-Q183 PolarHBondContact O-N 3.44Å; Q183-L185 VanDerWaalsContact C-N 3.3Å; Q183-L185 PolarHBondContact O-N 3.01Å; Q183-S186 WeakPolarHBondContact O-CA 3.19Å; Q183-S186 WeakPolarHBondContact O-CB 3.38Å; Q183-S186 PolarHBondContact O-N 2.92Å; Q183-S186 PolarHBondContact O-OG 3.47Å; Q183-E187 WeakPolarHBondContact CG-OE1 3.23Å; Q183-E187 PolarHBondContact NE2-OE1 2.72Å; Q183-E187 WeakPolarHBondContact O-CG 3.38Å; Q183-E187 PolarHBondContact O-N 2.95Å
184T98.1Very high98.1Very high44 Ų4499.7 Ų99.727%0.2749%0.494SS..Hα-helixtrans-59.6-39.9-179.7-59.10000111.8Y180 T181 S186 E187 K188Y180-T184 PolarHBondContact O-N 2.87Å; Y180-T184 PolarHBondContact O-OG1 3.41Å; T181-T184 PolarHBondContact O-N 2.96Å; T184-S186 VanDerWaalsContact C-N 3.35Å; T184-S186 PolarHBondContact O-N 3.26Å; T184-E187 PolarHBondContact O-N 3.44Å; T184-K188 HydrophobicContact CG2-CG 4.4Å; T184-K188 WeakPolarHBondContact O-CG 3.37Å; T184-K188 PolarHBondContact O-N 3.42Å
185L98Very high98.1Very high117 Ų11798.1 Ų98.161%0.61349%0.486SS*.Hα-helixtrans-60.8-43.3173-179.562.1000111.4T181 Q183 E187 K188 T189T181-L185 VanDerWaalsContact O-CB 3.23Å; T181-L185 WeakPolarHBondContact O-CB 3.22Å; T181-L185 PolarHBondContact O-N 3.48Å; Q183-L185 VanDerWaalsContact C-N 3.3Å; Q183-L185 PolarHBondContact O-N 3.01Å; L185-E187 VanDerWaalsContact C-N 3.3Å; L185-E187 PolarHBondContact O-N 2.87Å; L185-K188 PolarHBondContact O-N 3.37Å; L185-T189 WeakPolarHBondContact O-CB 3.48Å; L185-T189 PolarHBondContact O-N 3.14Å; L185-T189 PolarHBondContact O-OG1 3.14Å
186S98.2Very high98.1Very high41 Ų41101.4 Ų101.429%0.28749%0.487SS..Hα-helixtrans-63.5-35.617792.50000112.6Q182 Q183 T184 K190Q182-S186 WeakPolarHBondContact O-CB 3.47Å; Q182-S186 PolarHBondContact O-N 3.39Å; Q183-S186 WeakPolarHBondContact O-CA 3.19Å; Q183-S186 WeakPolarHBondContact O-CB 3.38Å; Q183-S186 PolarHBondContact O-N 2.92Å; Q183-S186 PolarHBondContact O-OG 3.47Å; T184-S186 VanDerWaalsContact C-N 3.35Å; T184-S186 PolarHBondContact O-N 3.26Å; S186-K190 WeakPolarHBondContact O-CD 3.24Å; S186-K190 WeakPolarHBondContact O-CG 3.25Å; S186-K190 PolarHBondContact O-N 2.8Å; S186-K190 VanDerWaalsContact O-N 3.15Å; S186-K190 PolarHBondContact OG-NZ 3.23Å; S186-K190 VanDerWaalsContact OG-NZ 3.14Å
187E98.3Very high98.1Very high77 Ų7797.2 Ų97.236%0.3648%0.48SS..Hα-helixtrans-70.8-46.8178-71.1167.1178.100110.7Q183 T184 L185 T189 K190 E191Q183-E187 WeakPolarHBondContact CG-OE1 3.23Å; Q183-E187 PolarHBondContact NE2-OE1 2.72Å; Q183-E187 WeakPolarHBondContact O-CG 3.38Å; Q183-E187 PolarHBondContact O-N 2.95Å; T184-E187 PolarHBondContact O-N 3.44Å; L185-E187 VanDerWaalsContact C-N 3.3Å; L185-E187 PolarHBondContact O-N 2.87Å; E187-T189 VanDerWaalsContact C-N 3.34Å; E187-T189 PolarHBondContact O-N 2.98Å; E187-K190 WeakPolarHBondContact O-CB 3.36Å; E187-K190 PolarHBondContact O-N 3.47Å; E187-K190 VanDerWaalsContact O-N 3.14Å; E187-E191 PolarHBondContact O-N 3.4Å
188K98Very high98.1Very high99 Ų9996.2 Ų96.243%0.4348%0.475SS..Hα-helixtrans-66.1-33.7176.5-64.9-67.1161.2-139.50112.9T184 L185 E191 L192T184-K188 HydrophobicContact CG2-CG 4.4Å; T184-K188 WeakPolarHBondContact O-CG 3.37Å; T184-K188 PolarHBondContact O-N 3.42Å; L185-K188 PolarHBondContact O-N 3.37Å; K188-E191 WeakPolarHBondContact CD-OE2 3.46Å; K188-E191 IonicContact NZ-OE1 3.4Å; K188-E191 PolarHBondContact NZ-OE1 3.15Å; K188-E191 IonicContact NZ-OE2 3.04Å; K188-E191 PolarHBondContact NZ-OE2 3.38Å; K188-E191 PolarHBondContact O-N 3.21Å; K188-L192 WeakPolarHBondContact O-CB 3.37Å; K188-L192 VanDerWaalsContact O-CG 3.32Å; K188-L192 WeakPolarHBondContact O-CG 3.32Å; K188-L192 PolarHBondContact O-N 2.86Å
189T98.1Very high98.1Very high68 Ų6899.4 Ų99.442%0.41748%0.48SS..Hα-helixtrans-62-45.8170.5-53.90000110.8L185 E187 E191 L192 E193L185-T189 WeakPolarHBondContact O-CB 3.48Å; L185-T189 PolarHBondContact O-N 3.14Å; L185-T189 PolarHBondContact O-OG1 3.14Å; E187-T189 VanDerWaalsContact C-N 3.34Å; E187-T189 PolarHBondContact O-N 2.98Å; T189-E191 PolarHBondContact O-N 2.81Å; T189-L192 PolarHBondContact O-N 3.27Å; T189-E193 PolarHBondContact O-N 2.71Å
190K98.3Very high98.1Very high122 Ų122100.2 Ų100.253%0.5348%0.482SS..Hα-helixtrans-64.2-36.5176.9-68.1156.9-169.4154.20112.7S186 E187 K194S186-K190 WeakPolarHBondContact O-CD 3.24Å; S186-K190 WeakPolarHBondContact O-CG 3.25Å; S186-K190 PolarHBondContact O-N 2.8Å; S186-K190 VanDerWaalsContact O-N 3.15Å; S186-K190 PolarHBondContact OG-NZ 3.23Å; S186-K190 VanDerWaalsContact OG-NZ 3.14Å; E187-K190 WeakPolarHBondContact O-CB 3.36Å; E187-K190 PolarHBondContact O-N 3.47Å; E187-K190 VanDerWaalsContact O-N 3.14Å; K190-K194 VanDerWaalsContact O-CG 3.31Å; K190-K194 WeakPolarHBondContact O-CG 3.48Å; K190-K194 PolarHBondContact O-N 2.81Å; K190-K194 VanDerWaalsContact O-N 3.15Å
191E98.3Very high98.1Very high89 Ų8997.6 Ų97.642%0.41648%0.479SS..Hα-helixtrans-64.3-45.8172.8-74.2172.6-151.700111.8E187 K188 T189 E193 K194 L195E187-E191 PolarHBondContact O-N 3.4Å; K188-E191 WeakPolarHBondContact CD-OE2 3.46Å; K188-E191 IonicContact NZ-OE1 3.4Å; K188-E191 PolarHBondContact NZ-OE1 3.15Å; K188-E191 IonicContact NZ-OE2 3.04Å; K188-E191 PolarHBondContact NZ-OE2 3.38Å; K188-E191 PolarHBondContact O-N 3.21Å; T189-E191 PolarHBondContact O-N 2.81Å; E191-E193 PolarHBondContact O-N 3.05Å; E191-K194 PolarHBondContact O-N 2.97Å; E191-L195 WeakPolarHBondContact O-CG 3.42Å; E191-L195 PolarHBondContact O-N 3.25Å
192L98.1Very high98.1Very high97 Ų9798.3 Ų98.351%0.50848%0.475SS..Hα-helixtrans-63.1-40.1177.3-73.3170.4000112.2K188 T189 L195 R196K188-L192 WeakPolarHBondContact O-CB 3.37Å; K188-L192 VanDerWaalsContact O-CG 3.32Å; K188-L192 WeakPolarHBondContact O-CG 3.32Å; K188-L192 PolarHBondContact O-N 2.86Å; T189-L192 PolarHBondContact O-N 3.27Å; L192-L195 PolarHBondContact O-N 2.95Å; L192-R196 WeakPolarHBondContact O-CB 3.31Å; L192-R196 VanDerWaalsContact O-CG 3.24Å; L192-R196 WeakPolarHBondContact O-CG 3.48Å; L192-R196 PolarHBondContact O-N 3.39Å
193E98.1Very high98.1Very high98 Ų9896.4 Ų96.446%0.45847%0.472SS..Hα-helixtrans-66.2-40.8177.6-139.871.9-90.900112.1T189 E191 R196 S197T189-E193 PolarHBondContact O-N 2.71Å; E191-E193 PolarHBondContact O-N 3.05Å; E193-R196 PolarHBondContact O-N 2.94Å; E193-R196 VanDerWaalsContact OE1-CD 3.25Å; E193-R196 WeakPolarHBondContact OE1-CD 3.39Å; E193-R196 IonicContact OE1-CZ 2.71Å; E193-R196 IonicContact OE1-NH1 3.57Å; E193-R196 PolarHBondContact OE1-NH1 3.45Å; E193-R196 IonicContact OE2-NH1 3.53Å; E193-S197 PolarHBondContact O-N 2.93Å; E193-S197 PolarHBondContact O-OG 3.08Å; E193-S197 VanDerWaalsContact O-OG 3.05Å
194K98.4Very high98Very high138 Ų13894.3 Ų94.360%0.647%0.47SS*.Hα-helixtrans-58.7-52.4171.4-74.1172.8-179.3-178.10111.1K190 E191 R196 S197 E198K190-K194 VanDerWaalsContact O-CG 3.31Å; K190-K194 WeakPolarHBondContact O-CG 3.48Å; K190-K194 PolarHBondContact O-N 2.81Å; K190-K194 VanDerWaalsContact O-N 3.15Å; E191-K194 PolarHBondContact O-N 2.97Å; K194-R196 VanDerWaalsContact C-N 3.33Å; K194-R196 PolarHBondContact O-N 3.48Å; K194-S197 PolarHBondContact O-N 3.07Å; K194-S197 PolarHBondContact O-OG 3.3Å; K194-E198 PolarHBondContact O-N 3.03Å
195L98Very high98Very high84 Ų8495.9 Ų95.944%0.4448%0.482SS..Hα-helixtrans-60.5-40.6179.1-71.2171.5000112.3E191 L192 E198 W199E191-L195 WeakPolarHBondContact O-CG 3.42Å; E191-L195 PolarHBondContact O-N 3.25Å; L192-L195 PolarHBondContact O-N 2.95Å; L195-E198 PolarHBondContact O-N 3.15Å; L195-W199 WeakPolarHBondContact O-CB 3.42Å; L195-W199 PolarHBondContact O-N 3.36Å
196R98.3Very high98Very high148 Ų14896 Ų9656%0.55848%0.483SS*.Hα-helixtrans-60.5-48.4174.8-78.4168.2173.5177.3-1.2112.4L192 E193 K194 W199 T200L192-R196 WeakPolarHBondContact O-CB 3.31Å; L192-R196 VanDerWaalsContact O-CG 3.24Å; L192-R196 WeakPolarHBondContact O-CG 3.48Å; L192-R196 PolarHBondContact O-N 3.39Å; E193-R196 PolarHBondContact O-N 2.94Å; E193-R196 VanDerWaalsContact OE1-CD 3.25Å; E193-R196 WeakPolarHBondContact OE1-CD 3.39Å; E193-R196 IonicContact OE1-CZ 2.71Å; E193-R196 IonicContact OE1-NH1 3.57Å; E193-R196 PolarHBondContact OE1-NH1 3.45Å; E193-R196 IonicContact OE2-NH1 3.53Å; K194-R196 VanDerWaalsContact C-N 3.33Å; K194-R196 PolarHBondContact O-N 3.48Å; R196-W199 PolarHBondContact O-N 2.87Å; R196-T200 WeakPolarHBondContact O-CB 3.5Å; R196-T200 PolarHBondContact O-N 2.9Å; R196-T200 PolarHBondContact O-OG1 3.21Å
197S98.1Very high98Very high58 Ų5897.8 Ų97.841%0.40650%0.495SS..Hα-helixtrans-64.2-41.9177.456.70000112.2E193 K194 T200 N201E193-S197 PolarHBondContact O-N 2.93Å; E193-S197 PolarHBondContact O-OG 3.08Å; E193-S197 VanDerWaalsContact O-OG 3.05Å; K194-S197 PolarHBondContact O-N 3.07Å; K194-S197 PolarHBondContact O-OG 3.3Å; S197-T200 PolarHBondContact O-N 3.45Å; S197-N201 WeakPolarHBondContact O-CB 3.39Å; S197-N201 PolarHBondContact O-N 3.1Å; S197-N201 PolarHBondContact O-ND2 2.99Å
198E98.3Very high98Very high90 Ų9097 Ų9742%0.42150%0.499SS..Hα-helixtrans-58.9-47.9172.5-83.4-169.5-129.800112.9K194 L195 N201 K202K194-E198 PolarHBondContact O-N 3.03Å; L195-E198 PolarHBondContact O-N 3.15Å; E198-N201 PolarHBondContact O-N 3.38Å; E198-K202 WeakPolarHBondContact O-CB 3.33Å; E198-K202 WeakPolarHBondContact O-CD 3.41Å; E198-K202 WeakPolarHBondContact O-CG 3.36Å; E198-K202 PolarHBondContact O-N 2.89Å; E198-K202 IonicContact OE2-NZ 2.79Å; E198-K202 PolarHBondContact OE2-NZ 3.43Å
199W97.3Very high98Very high169 Ų16999.3 Ų99.364%0.6450%0.504SS*.Hα-helixtrans-64.5-42.2178-85.3111.6000111.7L195 R196 N201 K202 T203L195-W199 WeakPolarHBondContact O-CB 3.42Å; L195-W199 PolarHBondContact O-N 3.36Å; R196-W199 PolarHBondContact O-N 2.87Å; W199-N201 VanDerWaalsContact C-N 3.34Å; W199-N201 PolarHBondContact O-N 3.3Å; W199-K202 PolarHBondContact O-N 3.44Å; W199-T203 WeakPolarHBondContact O-CB 3.4Å; W199-T203 PolarHBondContact O-N 3.36Å; W199-T203 PolarHBondContact O-OG1 3.41Å
200T98.1Very high98Very high90 Ų90101.8 Ų101.855%0.55251%0.511SS*.Hα-helixtrans-59.9-44.6175.6-54.50000110.9R196 S197 T203 S204R196-T200 WeakPolarHBondContact O-CB 3.5Å; R196-T200 PolarHBondContact O-N 2.9Å; R196-T200 PolarHBondContact O-OG1 3.21Å; S197-T200 PolarHBondContact O-N 3.45Å; T200-T203 PolarHBondContact O-N 2.7Å; T200-S204 WeakPolarHBondContact O-CB 3.44Å; T200-S204 PolarHBondContact O-N 2.69Å; T200-S204 PolarHBondContact O-OG 2.86Å; T200-S204 VanDerWaalsContact O-OG 3.1Å
201N98Very high97.9Very high104 Ų10499.5 Ų99.556%0.55651%0.51SS*.Hα-helixtrans-67.6-37.9178.1-69-17.4000112.8S197 E198 W199 S204 S205S197-N201 WeakPolarHBondContact O-CB 3.39Å; S197-N201 PolarHBondContact O-N 3.1Å; S197-N201 PolarHBondContact O-ND2 2.99Å; E198-N201 PolarHBondContact O-N 3.38Å; W199-N201 VanDerWaalsContact C-N 3.34Å; W199-N201 PolarHBondContact O-N 3.3Å; N201-S204 WeakPolarHBondContact CA-OG 3.31Å; N201-S204 PolarHBondContact O-OG 3.38Å; N201-S205 WeakPolarHBondContact O-CB 3.13Å; N201-S205 PolarHBondContact O-N 2.86Å
202K97.9Very high97.9Very high97 Ų97100 Ų10042%0.42251%0.513SS..Hα-helixtrans-66.5-44.6174.7-71.7161.7-167.7166.10110.7E198 W199 L206E198-K202 WeakPolarHBondContact O-CB 3.33Å; E198-K202 WeakPolarHBondContact O-CD 3.41Å; E198-K202 WeakPolarHBondContact O-CG 3.36Å; E198-K202 PolarHBondContact O-N 2.89Å; E198-K202 IonicContact OE2-NZ 2.79Å; E198-K202 PolarHBondContact OE2-NZ 3.43Å; W199-K202 PolarHBondContact O-N 3.44Å; K202-L206 WeakPolarHBondContact O-CB 3.34Å; K202-L206 VanDerWaalsContact O-CG 3.3Å; K202-L206 WeakPolarHBondContact O-CG 3.26Å; K202-L206 PolarHBondContact O-N 2.89Å
203T97.8Very high97.9Very high88 Ų8899.7 Ų99.754%0.5451%0.509SS..Hα-helixtrans-65.6-44.6177.4-61.80000112.2W199 T200 S207W199-T203 WeakPolarHBondContact O-CB 3.4Å; W199-T203 PolarHBondContact O-N 3.36Å; W199-T203 PolarHBondContact O-OG1 3.41Å; T200-T203 PolarHBondContact O-N 2.7Å; T203-S207 VanDerWaalsContact O-CB 3.26Å; T203-S207 WeakPolarHBondContact O-CB 3.22Å; T203-S207 PolarHBondContact O-N 3.27Å
204S97.5Very high97.9Very high63 Ų6398.4 Ų98.444%0.44150%0.504SS..Hα-helixtrans-67.6-41.3178.864.30000112.1T200 N201 S207 S208T200-S204 WeakPolarHBondContact O-CB 3.44Å; T200-S204 PolarHBondContact O-N 2.69Å; T200-S204 PolarHBondContact O-OG 2.86Å; T200-S204 VanDerWaalsContact O-OG 3.1Å; N201-S204 WeakPolarHBondContact CA-OG 3.31Å; N201-S204 PolarHBondContact O-OG 3.38Å; S204-S207 PolarHBondContact O-N 2.96Å; S204-S208 WeakPolarHBondContact O-CB 3.32Å; S204-S208 PolarHBondContact O-N 2.99Å
205S98.1Very high97.9Very high76 Ų7696.9 Ų96.953%0.53150%0.5SS..Hα-helixtrans-61.3-47.5175.4179.80000112.2N201 S207 S208 R209N201-S205 WeakPolarHBondContact O-CB 3.13Å; N201-S205 PolarHBondContact O-N 2.86Å; S205-S207 PolarHBondContact O-N 3.28Å; S205-S208 PolarHBondContact O-N 3.45Å; S205-R209 VanDerWaalsContact O-CB 3.31Å; S205-R209 WeakPolarHBondContact O-CB 3.42Å; S205-R209 PolarHBondContact O-N 3.4Å
206L97.7Very high97.9Very high120 Ų12097.3 Ų97.363%0.62850%0.502SS*.Hα-helixtrans-64.5-38.4175.4-72.1171.1000112.4K202 H210K202-L206 WeakPolarHBondContact O-CB 3.34Å; K202-L206 VanDerWaalsContact O-CG 3.3Å; K202-L206 WeakPolarHBondContact O-CG 3.26Å; K202-L206 PolarHBondContact O-N 2.89Å; L206-H210 WeakPolarHBondContact O-CB 3.41Å; L206-H210 PolarHBondContact O-N 3.32Å
207S98.1Very high97.8Very high78 Ų7894.6 Ų94.655%0.54550%0.496SS..Hα-helixtrans-68.1-41.4177.7-169.90000112.4T203 S204 S205 S211T203-S207 VanDerWaalsContact O-CB 3.26Å; T203-S207 WeakPolarHBondContact O-CB 3.22Å; T203-S207 PolarHBondContact O-N 3.27Å; S204-S207 PolarHBondContact O-N 2.96Å; S205-S207 PolarHBondContact O-N 3.28Å; S207-S211 WeakPolarHBondContact O-CB 3.44Å; S207-S211 PolarHBondContact O-N 2.84Å
208S98.1Very high97.7Very high62 Ų6299.2 Ų99.243%0.43450%0.504SS..Hα-helixtrans-61.4-53.6174.9-163.80000109.6S204 S205 H210 S211 E212S204-S208 WeakPolarHBondContact O-CB 3.32Å; S204-S208 PolarHBondContact O-N 2.99Å; S205-S208 PolarHBondContact O-N 3.45Å; S208-H210 VanDerWaalsContact C-N 3.33Å; S208-H210 PolarHBondContact O-N 2.85Å; S208-S211 CarbonylContact O-C 3.56Å; S208-S211 WeakPolarHBondContact O-CA 3.33Å; S208-S211 WeakPolarHBondContact O-CB 3.25Å; S208-S211 PolarHBondContact O-N 3.03Å; S208-E212 WeakPolarHBondContact CB-OE1 3.33Å; S208-E212 WeakPolarHBondContact O-CG 3.3Å; S208-E212 PolarHBondContact O-N 3.48Å; S208-E212 PolarHBondContact OG-OE1 2.98Å
209R97.9Very high97.7Very high146 Ų14698.8 Ų98.855%0.55150%0.502SS*.Hα-helixtrans-54.9-45.5178.5-172.5-173.5179.894.621.2112.7S205 S211 E212 E213S205-R209 VanDerWaalsContact O-CB 3.31Å; S205-R209 WeakPolarHBondContact O-CB 3.42Å; S205-R209 PolarHBondContact O-N 3.4Å; R209-S211 VanDerWaalsContact C-N 3.33Å; R209-S211 PolarHBondContact O-N 2.92Å; R209-E212 PolarHBondContact O-N 3.03Å; R209-E213 HydrophobicContact CG-CG 4.46Å; R209-E213 IonicContact CZ-OE1 2.62Å; R209-E213 VanDerWaalsContact CZ-OE1 3.31Å; R209-E213 IonicContact NE-OE1 3.24Å; R209-E213 PolarHBondContact NE-OE1 2.9Å; R209-E213 IonicContact NH2-OE1 2.66Å; R209-E213 PolarHBondContact NH2-OE1 2.67Å; R209-E213 WeakPolarHBondContact O-CB 3.41Å; R209-E213 WeakPolarHBondContact O-CG 3.43Å; R209-E213 PolarHBondContact O-N 3.01Å
210H97.2Very high97.7Very high121 Ų12195.8 Ų95.856%0.5649%0.494SS*.Hα-helixtrans-67.2-35.1178.1-175.954.5000112.3L206 S208 L214L206-H210 WeakPolarHBondContact O-CB 3.41Å; L206-H210 PolarHBondContact O-N 3.32Å; S208-H210 VanDerWaalsContact C-N 3.33Å; S208-H210 PolarHBondContact O-N 2.85Å; H210-L214 WeakPolarHBondContact O-CB 3.42Å; H210-L214 PolarHBondContact O-N 2.58Å
211S97.8Very high97.7Very high73 Ų7396.1 Ų96.151%0.5149%0.491SS..Hα-helixtrans-67-39.3173.5-1690000112.2S207 S208 R209 Q215S207-S211 WeakPolarHBondContact O-CB 3.44Å; S207-S211 PolarHBondContact O-N 2.84Å; S208-S211 CarbonylContact O-C 3.56Å; S208-S211 WeakPolarHBondContact O-CA 3.33Å; S208-S211 WeakPolarHBondContact O-CB 3.25Å; S208-S211 PolarHBondContact O-N 3.03Å; R209-S211 VanDerWaalsContact C-N 3.33Å; R209-S211 PolarHBondContact O-N 2.92Å; S211-Q215 WeakPolarHBondContact O-CB 3.41Å; S211-Q215 PolarHBondContact O-N 3.3Å
212E97.9Very high97.6Very high101 Ų10196.3 Ų96.347%0.47249%0.491SS..Hα-helixtrans-65.3-48.8174.9-68.1154.9-134.300111S208 R209 L214 Q215 L216S208-E212 WeakPolarHBondContact CB-OE1 3.33Å; S208-E212 WeakPolarHBondContact O-CG 3.3Å; S208-E212 PolarHBondContact O-N 3.48Å; S208-E212 PolarHBondContact OG-OE1 2.98Å; R209-E212 PolarHBondContact O-N 3.03Å; E212-L214 VanDerWaalsContact C-N 3.33Å; E212-L214 PolarHBondContact O-N 2.89Å; E212-Q215 PolarHBondContact O-N 2.88Å; E212-L216 WeakPolarHBondContact O-CB 3.18Å; E212-L216 WeakPolarHBondContact O-CG 3.35Å; E212-L216 PolarHBondContact O-N 3.43Å
213E97.8Very high97.6Very high90 Ų9096.6 Ų96.642%0.42149%0.494SS..Hα-helixtrans-61-40.4176.3-72.9171.1177.600111.5R209 E217R209-E213 HydrophobicContact CG-CG 4.46Å; R209-E213 IonicContact CZ-OE1 2.62Å; R209-E213 VanDerWaalsContact CZ-OE1 3.31Å; R209-E213 IonicContact NE-OE1 3.24Å; R209-E213 PolarHBondContact NE-OE1 2.9Å; R209-E213 IonicContact NH2-OE1 2.66Å; R209-E213 PolarHBondContact NH2-OE1 2.67Å; R209-E213 WeakPolarHBondContact O-CB 3.41Å; R209-E213 WeakPolarHBondContact O-CG 3.43Å; R209-E213 PolarHBondContact O-N 3.01Å; E213-E217 PolarHBondContact O-N 2.93Å; E213-E217 VanDerWaalsContact O-N 3.07Å
214L97.8Very high97.6Very high70 Ų7097 Ų9737%0.36649%0.493SS..Hα-helixtrans-68.8-35.3174.8-179.961.7000113H210 E212 R218H210-L214 WeakPolarHBondContact O-CB 3.42Å; H210-L214 PolarHBondContact O-N 2.58Å; E212-L214 VanDerWaalsContact C-N 3.33Å; E212-L214 PolarHBondContact O-N 2.89Å; L214-R218 WeakPolarHBondContact O-CD 3.4Å; L214-R218 VanDerWaalsContact O-CG 3.25Å; L214-R218 WeakPolarHBondContact O-CG 3.32Å; L214-R218 PolarHBondContact O-N 3.1Å; L214-R218 VanDerWaalsContact O-N 3.14Å
215Q97.4Very high97.6Very high106 Ų10698.6 Ų98.650%0.49549%0.493SS..Hα-helixtrans-67.5-48.6174.2176.2171.8-20.700110.8S211 E212 E217 R218 E219S211-Q215 WeakPolarHBondContact O-CB 3.41Å; S211-Q215 PolarHBondContact O-N 3.3Å; E212-Q215 PolarHBondContact O-N 2.88Å; Q215-E217 VanDerWaalsContact C-N 3.27Å; Q215-E217 PolarHBondContact O-N 3.2Å; Q215-R218 WeakPolarHBondContact O-CB 3.49Å; Q215-R218 PolarHBondContact O-N 2.89Å; Q215-R218 VanDerWaalsContact O-N 3.1Å; Q215-E219 HydrophobicContact CG-CG 4.39Å; Q215-E219 VanDerWaalsContact CG-OE1 3.27Å; Q215-E219 WeakPolarHBondContact CG-OE1 3.27Å; Q215-E219 PolarHBondContact NE2-OE1 3.32Å; Q215-E219 WeakPolarHBondContact O-CG 3.34Å; Q215-E219 PolarHBondContact O-N 3.14Å
216L97.9Very high97.5Very high93 Ų9398.4 Ų98.449%0.48749%0.491SS..Hα-helixtrans-59-37.5177.9-71.5168.8000112.1E212 E219 K220E212-L216 WeakPolarHBondContact O-CB 3.18Å; E212-L216 WeakPolarHBondContact O-CG 3.35Å; E212-L216 PolarHBondContact O-N 3.43Å; L216-E219 PolarHBondContact O-N 2.87Å; L216-K220 VanDerWaalsContact O-CG 3.31Å; L216-K220 WeakPolarHBondContact O-CG 3.32Å; L216-K220 PolarHBondContact O-N 3.49Å
217E96.5Very high97.5Very high92 Ų9299.6 Ų99.643%0.4349%0.488SS..Hα-helixtrans-71.7-36.2176.4-154.261.1-146.300112.4E213 Q215 K220 I221E213-E217 PolarHBondContact O-N 2.93Å; E213-E217 VanDerWaalsContact O-N 3.07Å; Q215-E217 VanDerWaalsContact C-N 3.27Å; Q215-E217 PolarHBondContact O-N 3.2Å; E217-K220 PolarHBondContact O-N 2.93Å; E217-K220 IonicContact OE2-NZ 3.45Å; E217-K220 PolarHBondContact OE2-NZ 2.77Å; E217-I221 HydrophobicContact CG-CD1 4.46Å; E217-I221 WeakPolarHBondContact O-CD1 3.25Å; E217-I221 VanDerWaalsContact O-CG1 3.25Å; E217-I221 WeakPolarHBondContact O-CG1 3.47Å; E217-I221 PolarHBondContact O-N 3.37Å
218R97.6Very high97.5Very high154 Ų154102.4 Ų102.458%0.58149%0.49SS*.Hα-helixtrans-63-41.7171.3-73.7166175176.3-0.8111.7L214 Q215 I221 L222L214-R218 WeakPolarHBondContact O-CD 3.4Å; L214-R218 VanDerWaalsContact O-CG 3.25Å; L214-R218 WeakPolarHBondContact O-CG 3.32Å; L214-R218 PolarHBondContact O-N 3.1Å; L214-R218 VanDerWaalsContact O-N 3.14Å; Q215-R218 WeakPolarHBondContact O-CB 3.49Å; Q215-R218 PolarHBondContact O-N 2.89Å; Q215-R218 VanDerWaalsContact O-N 3.1Å; R218-I221 PolarHBondContact O-N 2.86Å; R218-L222 WeakPolarHBondContact O-CG 3.25Å; R218-L222 PolarHBondContact O-N 2.94Å
219E97.3Very high97.4Very high82 Ų82105 Ų10538%0.38350%0.496SS..Hα-helixtrans-63.5-45.4177.3-73.3169.1-178.700111.3Q215 L216 I221 L222 E223Q215-E219 HydrophobicContact CG-CG 4.39Å; Q215-E219 VanDerWaalsContact CG-OE1 3.27Å; Q215-E219 WeakPolarHBondContact CG-OE1 3.27Å; Q215-E219 PolarHBondContact NE2-OE1 3.32Å; Q215-E219 WeakPolarHBondContact O-CG 3.34Å; Q215-E219 PolarHBondContact O-N 3.14Å; L216-E219 PolarHBondContact O-N 2.87Å; E219-I221 PolarHBondContact O-N 2.89Å; E219-L222 PolarHBondContact O-N 3.27Å; E219-E223 PolarHBondContact O-N 3.42Å
220K98.1Very high97.4Very high106 Ų106104 Ų10446%0.46150%0.497SS..Hα-helixtrans-57.8-44171.8-70.1171.4-148.4164.40112.8L216 E217 E223 L224L216-K220 VanDerWaalsContact O-CG 3.31Å; L216-K220 WeakPolarHBondContact O-CG 3.32Å; L216-K220 PolarHBondContact O-N 3.49Å; E217-K220 PolarHBondContact O-N 2.93Å; E217-K220 IonicContact OE2-NZ 3.45Å; E217-K220 PolarHBondContact OE2-NZ 2.77Å; K220-E223 PolarHBondContact O-N 3Å; K220-L224 WeakPolarHBondContact O-CB 3.31Å; K220-L224 VanDerWaalsContact O-CG 3.31Å; K220-L224 WeakPolarHBondContact O-CG 3.31Å; K220-L224 PolarHBondContact O-N 3.47Å
221I96.8Very high97.4Very high96 Ų96103 Ų10349%0.49249%0.492SS..Hα-helixtrans-63.9-42.5179.2-71165000110.5E217 R218 E219 L224 Q225E217-I221 HydrophobicContact CG-CD1 4.46Å; E217-I221 WeakPolarHBondContact O-CD1 3.25Å; E217-I221 VanDerWaalsContact O-CG1 3.25Å; E217-I221 WeakPolarHBondContact O-CG1 3.47Å; E217-I221 PolarHBondContact O-N 3.37Å; R218-I221 PolarHBondContact O-N 2.86Å; E219-I221 PolarHBondContact O-N 2.89Å; I221-L224 PolarHBondContact O-N 2.86Å; I221-Q225 VanDerWaalsContact O-CB 3.23Å; I221-Q225 WeakPolarHBondContact O-CB 3.25Å; I221-Q225 PolarHBondContact O-N 3.45Å
222L97.5Very high97.3Very high108 Ų108104 Ų10457%0.56550%0.496SS*.Hα-helixtrans-65.9-40.3175.7-71.4169.8000112.3R218 E219 S226R218-L222 WeakPolarHBondContact O-CG 3.25Å; R218-L222 PolarHBondContact O-N 2.94Å; E219-L222 PolarHBondContact O-N 3.27Å; L222-S226 VanDerWaalsContact O-CB 3.25Å; L222-S226 WeakPolarHBondContact O-CB 3.23Å; L222-S226 PolarHBondContact O-N 3.31Å
223E97.4Very high97.2Very high104 Ų104102.5 Ų102.549%0.48649%0.489SS..Hα-helixtrans-61.4-48.8172.9-85.5-160.2-139.400112.2E219 K220 S226 R227E219-E223 PolarHBondContact O-N 3.42Å; K220-E223 PolarHBondContact O-N 3Å; E223-S226 PolarHBondContact O-N 3.47Å; E223-R227 VanDerWaalsContact O-CG 3.24Å; E223-R227 WeakPolarHBondContact O-CG 3.27Å; E223-R227 PolarHBondContact O-N 2.99Å; E223-R227 IonicContact OE2-CZ 3.94Å; E223-R227 IonicContact OE2-NE 3.7Å; E223-R227 IonicContact OE2-NH2 2.68Å; E223-R227 PolarHBondContact OE2-NH2 2.82Å
224L97.3Very high97.2Very high96 Ų96104.1 Ų104.150%0.50349%0.491SS..Hα-helixtrans-62.6-43.9178.3-73169.9000111.2K220 I221 S226 R227 F228K220-L224 WeakPolarHBondContact O-CB 3.31Å; K220-L224 VanDerWaalsContact O-CG 3.31Å; K220-L224 WeakPolarHBondContact O-CG 3.31Å; K220-L224 PolarHBondContact O-N 3.47Å; I221-L224 PolarHBondContact O-N 2.86Å; L224-S226 PolarHBondContact O-N 3.07Å; L224-R227 PolarHBondContact O-N 3.01Å; L224-F228 WeakPolarHBondContact O-CD2 3.35Å; L224-F228 PolarHBondContact O-N 2.66Å
225Q97.2Very high97.2Very high97 Ų97105.8 Ų105.845%0.45350%0.5SS..Hα-helixtrans-59.3-45.5175-179177.2-4.600111.5I221 F228 Q229I221-Q225 VanDerWaalsContact O-CB 3.23Å; I221-Q225 WeakPolarHBondContact O-CB 3.25Å; I221-Q225 PolarHBondContact O-N 3.45Å; Q225-F228 PolarHBondContact O-N 3.17Å; Q225-Q229 WeakPolarHBondContact O-CB 3.34Å; Q225-Q229 VanDerWaalsContact O-CG 3.25Å; Q225-Q229 WeakPolarHBondContact O-CG 3.42Å; Q225-Q229 PolarHBondContact O-N 2.76Å
226S97.1Very high97.2Very high71 Ų71105.8 Ų105.850%0.49750%0.495SS..Hα-helixtrans-62.1-44.2177.4-177.80000112L222 E223 L224 Q229 H230L222-S226 VanDerWaalsContact O-CB 3.25Å; L222-S226 WeakPolarHBondContact O-CB 3.23Å; L222-S226 PolarHBondContact O-N 3.31Å; E223-S226 PolarHBondContact O-N 3.47Å; L224-S226 PolarHBondContact O-N 3.07Å; S226-Q229 PolarHBondContact O-N 2.91Å; S226-H230 WeakPolarHBondContact O-CB 3.31Å; S226-H230 PolarHBondContact O-N 3.42Å
227R97.6Very high97.2Very high146 Ų146106.4 Ų106.455%0.55150%0.495SS*.Hα-helixtrans-61.4-49.6175.2-68.1169.3-165-146.19.3111.6E223 L224 Q229 H230 E231E223-R227 VanDerWaalsContact O-CG 3.24Å; E223-R227 WeakPolarHBondContact O-CG 3.27Å; E223-R227 PolarHBondContact O-N 2.99Å; E223-R227 IonicContact OE2-CZ 3.94Å; E223-R227 IonicContact OE2-NE 3.7Å; E223-R227 IonicContact OE2-NH2 2.68Å; E223-R227 PolarHBondContact OE2-NH2 2.82Å; L224-R227 PolarHBondContact O-N 3.01Å; R227-Q229 VanDerWaalsContact C-N 3.34Å; R227-Q229 PolarHBondContact O-N 2.91Å; R227-H230 PolarHBondContact O-N 3.43Å; R227-E231 WeakPolarHBondContact O-CG 3.35Å; R227-E231 PolarHBondContact O-N 2.77Å
228F97Very high97.2Very high137 Ų137106.4 Ų106.460%0.60150%0.499SS*.Hα-helixtrans-62.1-39177.3-89-67.5000112.8L224 Q225 T232L224-F228 WeakPolarHBondContact O-CD2 3.35Å; L224-F228 PolarHBondContact O-N 2.66Å; Q225-F228 PolarHBondContact O-N 3.17Å; F228-T232 VanDerWaalsContact O-CB 3.27Å; F228-T232 WeakPolarHBondContact O-CB 3.45Å; F228-T232 PolarHBondContact O-N 2.7Å; F228-T232 PolarHBondContact O-OG1 2.76Å
229Q96.4Very high97.2Very high116 Ų116103.4 Ų103.454%0.54249%0.494SS..Hα-helixtrans-62.8-45.5174-77.3175.8-14.200111.4Q225 S226 R227 T232 E233Q225-Q229 WeakPolarHBondContact O-CB 3.34Å; Q225-Q229 VanDerWaalsContact O-CG 3.25Å; Q225-Q229 WeakPolarHBondContact O-CG 3.42Å; Q225-Q229 PolarHBondContact O-N 2.76Å; S226-Q229 PolarHBondContact O-N 2.91Å; R227-Q229 VanDerWaalsContact C-N 3.34Å; R227-Q229 PolarHBondContact O-N 2.91Å; Q229-T232 PolarHBondContact O-N 3.22Å; Q229-E233 VanDerWaalsContact O-CB 3.31Å; Q229-E233 WeakPolarHBondContact O-CB 3.24Å; Q229-E233 PolarHBondContact O-N 2.73Å
230H97.3Very high97.1Very high125 Ų125104.3 Ų104.358%0.57950%0.498SS*.Hα-helixtrans-65.7-41.4178.6-174.170.9000112.8S226 R227 R234S226-H230 WeakPolarHBondContact O-CB 3.31Å; S226-H230 PolarHBondContact O-N 3.42Å; R227-H230 PolarHBondContact O-N 3.43Å; H230-R234 WeakPolarHBondContact O-CB 3.34Å; H230-R234 PolarHBondContact O-N 2.89Å
231E97.3Very high97.1Very high99 Ų99102 Ų10246%0.46350%0.499SS..Hα-helixtrans-66.6-39.8175.4-72.2-177.2165.900112.5R227 R234 L235R227-E231 WeakPolarHBondContact O-CG 3.35Å; R227-E231 PolarHBondContact O-N 2.77Å; E231-R234 PolarHBondContact O-N 3.39Å; E231-L235 WeakPolarHBondContact O-CB 3.4Å; E231-L235 PolarHBondContact O-N 3.43Å
232T95.9Very high97.1Very high95 Ų95100.3 Ų100.358%0.58350%0.499SS*.Hα-helixtrans-65.8-43.9176.3-58.30000111.4F228 Q229 L235 R236F228-T232 VanDerWaalsContact O-CB 3.27Å; F228-T232 WeakPolarHBondContact O-CB 3.45Å; F228-T232 PolarHBondContact O-N 2.7Å; F228-T232 PolarHBondContact O-OG1 2.76Å; Q229-T232 PolarHBondContact O-N 3.22Å; T232-L235 PolarHBondContact O-N 2.91Å; T232-R236 WeakPolarHBondContact O-CB 3.48Å; T232-R236 PolarHBondContact O-N 3.31Å
233E97Very high97Very high69 Ų69101.4 Ų101.432%0.32250%0.501SS..Hα-helixtrans-67.3-39.3177.5176.656.7-164.600111.8Q229 R236 Q237Q229-E233 VanDerWaalsContact O-CB 3.31Å; Q229-E233 WeakPolarHBondContact O-CB 3.24Å; Q229-E233 PolarHBondContact O-N 2.73Å; E233-R236 VanDerWaalsContact CD-NH2 3.34Å; E233-R236 WeakPolarHBondContact O-CB 3.45Å; E233-R236 PolarHBondContact O-N 3.48Å; E233-R236 IonicContact OE1-CZ 3.57Å; E233-R236 IonicContact OE1-NE 2.76Å; E233-R236 IonicContact OE1-NH2 2.7Å; E233-R236 PolarHBondContact OE1-NH2 2.9Å; E233-R236 IonicContact OE2-CZ 3.95Å; E233-R236 IonicContact OE2-NE 2.82Å; E233-R236 PolarHBondContact OE2-NE 2.65Å; E233-R236 IonicContact OE2-NH2 3.18Å; E233-R236 PolarHBondContact OE2-NH2 2.92Å; E233-Q237 WeakPolarHBondContact O-CG 3.17Å; E233-Q237 PolarHBondContact O-N 2.67Å; E233-Q237 PolarHBondContact OE1-NE2 2.95Å
234R97.4Very high97Very high124 Ų124105 Ų10547%0.46851%0.51SS..Hα-helixtrans-60.7-48.5172.4-171.5-175.771.2-140.7-5.4111.2H230 E231 R236 Q237 D238H230-R234 WeakPolarHBondContact O-CB 3.34Å; H230-R234 PolarHBondContact O-N 2.89Å; E231-R234 PolarHBondContact O-N 3.39Å; R234-R236 VanDerWaalsContact C-N 3.29Å; R234-R236 PolarHBondContact O-N 3.34Å; R234-Q237 PolarHBondContact O-N 2.87Å; R234-Q237 VanDerWaalsContact O-N 3.14Å; R234-D238 PolarHBondContact O-N 2.87Å
235L97.5Very high97Very high105 Ų105106.7 Ų106.755%0.5551%0.513SS..Hα-helixtrans-61.8-37.1178-176.562.5000112E231 T232 L239E231-L235 WeakPolarHBondContact O-CB 3.4Å; E231-L235 PolarHBondContact O-N 3.43Å; T232-L235 PolarHBondContact O-N 2.91Å; L235-L239 HydrophobicContact CD1-CD1 4.41Å; L235-L239 HydrophobicContact CD1-CG 4.47Å; L235-L239 HydrophobicContact CG-CD1 4.17Å; L235-L239 WeakPolarHBondContact O-CB 3.37Å; L235-L239 VanDerWaalsContact O-CG 3.28Å; L235-L239 WeakPolarHBondContact O-CG 3.37Å; L235-L239 PolarHBondContact O-N 2.89Å
236R97.6Very high97Very high106 Ų106104.7 Ų104.740%0.451%0.51SS..Hα-helixtrans-61.4-47.9172.3-171.3-175.572.381.44.7111.3T232 E233 R234 L239 E240T232-R236 WeakPolarHBondContact O-CB 3.48Å; T232-R236 PolarHBondContact O-N 3.31Å; E233-R236 VanDerWaalsContact CD-NH2 3.34Å; E233-R236 WeakPolarHBondContact O-CB 3.45Å; E233-R236 PolarHBondContact O-N 3.48Å; E233-R236 IonicContact OE1-CZ 3.57Å; E233-R236 IonicContact OE1-NE 2.76Å; E233-R236 IonicContact OE1-NH2 2.7Å; E233-R236 PolarHBondContact OE1-NH2 2.9Å; E233-R236 IonicContact OE2-CZ 3.95Å; E233-R236 IonicContact OE2-NE 2.82Å; E233-R236 PolarHBondContact OE2-NE 2.65Å; E233-R236 IonicContact OE2-NH2 3.18Å; E233-R236 PolarHBondContact OE2-NH2 2.92Å; R234-R236 VanDerWaalsContact C-N 3.29Å; R234-R236 PolarHBondContact O-N 3.34Å; R236-L239 PolarHBondContact O-N 2.89Å; R236-E240 WeakPolarHBondContact CG-OE1 3.32Å; R236-E240 IonicContact CZ-OE1 2.73Å; R236-E240 IonicContact CZ-OE2 2.68Å; R236-E240 IonicContact NH1-OE1 3.58Å; R236-E240 PolarHBondContact NH1-OE1 2.91Å; R236-E240 IonicContact NH1-OE2 3.4Å; R236-E240 PolarHBondContact NH1-OE2 3.37Å; R236-E240 WeakPolarHBondContact O-CB 3.28Å; R236-E240 WeakPolarHBondContact O-CG 3.38Å; R236-E240 PolarHBondContact O-N 2.93Å
237Q97.1Very high96.9Very high106 Ų106104.6 Ų104.650%0.49551%0.509SS..Hα-helixtrans-63.9-41.8178.4-70.6176.518.100112.4E233 R234 E240 A241E233-Q237 WeakPolarHBondContact O-CG 3.17Å; E233-Q237 PolarHBondContact O-N 2.67Å; E233-Q237 PolarHBondContact OE1-NE2 2.95Å; R234-Q237 PolarHBondContact O-N 2.87Å; R234-Q237 VanDerWaalsContact O-N 3.14Å; Q237-E240 PolarHBondContact O-N 3.41Å; Q237-A241 VanDerWaalsContact O-CB 3.27Å; Q237-A241 WeakPolarHBondContact O-CB 3.39Å; Q237-A241 PolarHBondContact O-N 3Å
238D96.9Very high96.8Very high93 Ų93103 Ų10350%0.49751%0.508SS..Hα-helixtrans-62.4-44.5176.4-72.9-33.6000111.4R234 A241 A242R234-D238 PolarHBondContact O-N 2.87Å; D238-A241 PolarHBondContact O-N 3.4Å; D238-A242 WeakPolarHBondContact O-CB 3.27Å; D238-A242 PolarHBondContact O-N 2.95Å
239L96.4Very high96.8Very high91 Ų91102 Ų10248%0.47651%0.506SS..Hα-helixtrans-65.4-44.8175.2-74.3169.7000111.9L235 R236 A241 A242 H243L235-L239 HydrophobicContact CD1-CD1 4.41Å; L235-L239 HydrophobicContact CD1-CG 4.47Å; L235-L239 HydrophobicContact CG-CD1 4.17Å; L235-L239 WeakPolarHBondContact O-CB 3.37Å; L235-L239 VanDerWaalsContact O-CG 3.28Å; L235-L239 WeakPolarHBondContact O-CG 3.37Å; L235-L239 PolarHBondContact O-N 2.89Å; R236-L239 PolarHBondContact O-N 2.89Å; L239-A241 VanDerWaalsContact C-N 3.33Å; L239-A241 PolarHBondContact O-N 3.4Å; L239-A242 PolarHBondContact O-N 3.14Å; L239-H243 WeakPolarHBondContact O-CB 3.27Å; L239-H243 PolarHBondContact O-CD2 2.85Å; L239-H243 PolarHBondContact O-N 3.48Å
240E96.6Very high96.8Very high100 Ų100101.8 Ų101.847%0.46751%0.507SS..Hα-helixtrans-64.3-36.8177.4-77.6174.7-165.500112.1R236 Q237 R244R236-E240 WeakPolarHBondContact CG-OE1 3.32Å; R236-E240 IonicContact CZ-OE1 2.73Å; R236-E240 IonicContact CZ-OE2 2.68Å; R236-E240 IonicContact NH1-OE1 3.58Å; R236-E240 PolarHBondContact NH1-OE1 2.91Å; R236-E240 IonicContact NH1-OE2 3.4Å; R236-E240 PolarHBondContact NH1-OE2 3.37Å; R236-E240 WeakPolarHBondContact O-CB 3.28Å; R236-E240 WeakPolarHBondContact O-CG 3.38Å; R236-E240 PolarHBondContact O-N 2.93Å; Q237-E240 PolarHBondContact O-N 3.41Å; E240-R244 WeakPolarHBondContact O-CB 3.26Å; E240-R244 PolarHBondContact O-N 3.33Å
241A97.2Very high96.7Very high59 Ų59101.8 Ų101.849%0.48851%0.508SS..Hα-helixtrans-66.2-43.5172.700000111.9Q237 D238 L239 R244 K245Q237-A241 VanDerWaalsContact O-CB 3.27Å; Q237-A241 WeakPolarHBondContact O-CB 3.39Å; Q237-A241 PolarHBondContact O-N 3Å; D238-A241 PolarHBondContact O-N 3.4Å; L239-A241 VanDerWaalsContact C-N 3.33Å; L239-A241 PolarHBondContact O-N 3.4Å; A241-R244 PolarHBondContact O-N 3.16Å; A241-K245 WeakPolarHBondContact O-CB 3.43Å; A241-K245 PolarHBondContact O-N 2.88Å
242A97.3Very high96.7Very high59 Ų5999.8 Ų99.849%0.48850%0.504SS..Hα-helixtrans-64.1-46176.400000112.2D238 L239 K245 S246D238-A242 WeakPolarHBondContact O-CB 3.27Å; D238-A242 PolarHBondContact O-N 2.95Å; L239-A242 PolarHBondContact O-N 3.14Å; A242-K245 PolarHBondContact O-N 3.49Å; A242-S246 WeakPolarHBondContact O-CB 3.24Å; A242-S246 PolarHBondContact O-N 3.27Å
243H95.9Very high96.7Very high132 Ų132103.4 Ų103.461%0.61151%0.507SS*.Hα-helixtrans-63.9-43.3175.3-79.7-66000112L239 K245 S246 S247L239-H243 WeakPolarHBondContact O-CB 3.27Å; L239-H243 PolarHBondContact O-CD2 2.85Å; L239-H243 PolarHBondContact O-N 3.48Å; H243-K245 PolarHBondContact O-N 2.86Å; H243-S246 PolarHBondContact O-N 3.34Å; H243-S247 VanDerWaalsContact O-CB 3.27Å; H243-S247 WeakPolarHBondContact O-CB 3.41Å; H243-S247 PolarHBondContact O-N 3.37Å
244R96.9Very high96.7Very high179 Ų179103.6 Ų103.668%0.67551%0.513SS*.Hα-helixtrans-59-45.6174.2176.2175-78.3166.5-3.5111.4E240 A241 S247 Q248E240-R244 WeakPolarHBondContact O-CB 3.26Å; E240-R244 PolarHBondContact O-N 3.33Å; A241-R244 PolarHBondContact O-N 3.16Å; R244-S247 PolarHBondContact O-N 3.44Å; R244-Q248 WeakPolarHBondContact O-CB 3.43Å; R244-Q248 VanDerWaalsContact O-CG 3.26Å; R244-Q248 WeakPolarHBondContact O-CG 3.42Å; R244-Q248 PolarHBondContact O-N 3.45Å
245K97Very high96.6Very high131 Ų131100.8 Ų100.857%0.5751%0.51SS*.Hα-helixtrans-63.6-44.7178-174.8177.4-179.6179.50112.1A241 A242 H243 Q248 Q249A241-K245 WeakPolarHBondContact O-CB 3.43Å; A241-K245 PolarHBondContact O-N 2.88Å; A242-K245 PolarHBondContact O-N 3.49Å; H243-K245 PolarHBondContact O-N 2.86Å; K245-Q248 PolarHBondContact O-N 3.36Å; K245-Q249 WeakPolarHBondContact O-CG 3.38Å; K245-Q249 PolarHBondContact O-N 2.99Å
246S96.8Very high96.5Very high55 Ų55100.5 Ų100.539%0.38551%0.509SS..Hα-helixtrans-63.9-43.7176.3-178.50000111.8A242 H243 Q248 Q249 L250A242-S246 WeakPolarHBondContact O-CB 3.24Å; A242-S246 PolarHBondContact O-N 3.27Å; H243-S246 PolarHBondContact O-N 3.34Å; S246-Q248 VanDerWaalsContact C-N 3.35Å; S246-Q248 PolarHBondContact O-N 3.42Å; S246-Q249 PolarHBondContact O-N 2.86Å; S246-L250 WeakPolarHBondContact O-CG 3.34Å; S246-L250 PolarHBondContact O-N 2.91Å
247S95.5Very high96.4Very high69 Ų69100.1 Ų100.148%0.48351%0.514SS..Hα-helixtrans-61-41.7174.9-172.40000111.9H243 R244 L250 Q251H243-S247 VanDerWaalsContact O-CB 3.27Å; H243-S247 WeakPolarHBondContact O-CB 3.41Å; H243-S247 PolarHBondContact O-N 3.37Å; R244-S247 PolarHBondContact O-N 3.44Å; S247-L250 PolarHBondContact O-N 2.9Å; S247-Q251 VanDerWaalsContact O-CB 3.24Å; S247-Q251 WeakPolarHBondContact O-CB 3.33Å; S247-Q251 PolarHBondContact O-N 3.46Å
248Q96.7Very high96.4Very high114 Ų114100 Ų10053%0.53351%0.513SS..Hα-helixtrans-64.1-41.7175.4-76.1170.4-23.100112.1R244 K245 S246 Q251 S252R244-Q248 WeakPolarHBondContact O-CB 3.43Å; R244-Q248 VanDerWaalsContact O-CG 3.26Å; R244-Q248 WeakPolarHBondContact O-CG 3.42Å; R244-Q248 PolarHBondContact O-N 3.45Å; K245-Q248 PolarHBondContact O-N 3.36Å; S246-Q248 VanDerWaalsContact C-N 3.35Å; S246-Q248 PolarHBondContact O-N 3.42Å; Q248-Q251 PolarHBondContact O-N 3.48Å; Q248-S252 PolarHBondContact O-N 3.45Å; Q248-S252 PolarHBondContact O-OG 2.83Å
249Q96.8Very high96.3Very high116 Ų11698.5 Ų98.554%0.54251%0.508SS..Hα-helixtrans-67.2-36.9176.5-73175.2-32.700113K245 S246 S252 R253K245-Q249 WeakPolarHBondContact O-CG 3.38Å; K245-Q249 PolarHBondContact O-N 2.99Å; S246-Q249 PolarHBondContact O-N 2.86Å; Q249-S252 PolarHBondContact O-OG 3.37Å; Q249-R253 VanDerWaalsContact O-CB 3.31Å; Q249-R253 WeakPolarHBondContact O-CB 3.37Å; Q249-R253 PolarHBondContact O-N 2.76Å; Q249-R253 VanDerWaalsContact O-N 3.17Å
250L94.9Very high96.3Very high110 Ų11096.6 Ų96.658%0.57650%0.502SS*.Hα-helixtrans-68.1-43.4172.5-74.6168.1000110.9S246 S247 R253 V254S246-L250 WeakPolarHBondContact O-CG 3.34Å; S246-L250 PolarHBondContact O-N 2.91Å; S247-L250 PolarHBondContact O-N 2.9Å; L250-R253 PolarHBondContact O-N 3.46Å; L250-V254 WeakPolarHBondContact O-CG2 3.35Å; L250-V254 PolarHBondContact O-N 2.99Å
251Q96.3Very high96.2Very high126 Ų12695.3 Ų95.359%0.58950%0.503SS*.Hα-helixtrans-66.1-41.6179.8-170170.113.900112.3S247 Q248 V254 T255S247-Q251 VanDerWaalsContact O-CB 3.24Å; S247-Q251 WeakPolarHBondContact O-CB 3.33Å; S247-Q251 PolarHBondContact O-N 3.46Å; Q248-Q251 PolarHBondContact O-N 3.48Å; Q251-V254 PolarHBondContact O-N 2.83Å; Q251-T255 PolarHBondContact O-N 3.36Å; Q251-T255 PolarHBondContact O-OG1 3.26Å
252S96.3Very high96.1Very high56 Ų5699.2 Ų99.239%0.39251%0.505SS..Hα-helixtrans-62.6-45.6174.271.30000110.9Q248 Q249 V254 T255 D256Q248-S252 PolarHBondContact O-N 3.45Å; Q248-S252 PolarHBondContact O-OG 2.83Å; Q249-S252 PolarHBondContact O-OG 3.37Å; S252-V254 VanDerWaalsContact C-N 3.28Å; S252-V254 PolarHBondContact O-N 2.93Å; S252-T255 WeakPolarHBondContact CA-OG1 3.46Å; S252-T255 CarbonylContact O-C 3.6Å; S252-T255 PolarHBondContact O-N 3.22Å; S252-T255 PolarHBondContact O-OG1 2.86Å; S252-D256 PolarHBondContact O-N 3.16Å
253R97.4Very high96.1Very high171 Ų171100.8 Ų100.865%0.64550%0.503SS*.Hα-helixtrans-62.4-33.1176.5-177.8173.8176.2169.8-0.7112.9Q249 L250 L257Q249-R253 VanDerWaalsContact O-CB 3.31Å; Q249-R253 WeakPolarHBondContact O-CB 3.37Å; Q249-R253 PolarHBondContact O-N 2.76Å; Q249-R253 VanDerWaalsContact O-N 3.17Å; L250-R253 PolarHBondContact O-N 3.46Å; R253-L257 HydrophobicContact CG-CD1 4.34Å; R253-L257 WeakPolarHBondContact O-CB 3.25Å; R253-L257 VanDerWaalsContact O-CG 3.26Å; R253-L257 WeakPolarHBondContact O-CG 3.36Å; R253-L257 PolarHBondContact O-N 2.94Å
254V95.5Very high96Very high73 Ų7399.2 Ų99.244%0.44250%0.499SS..Hα-helixtrans-65.6-47.3171167.40000110.1L250 Q251 S252 D256 L257 E258L250-V254 WeakPolarHBondContact O-CG2 3.35Å; L250-V254 PolarHBondContact O-N 2.99Å; Q251-V254 PolarHBondContact O-N 2.83Å; S252-V254 VanDerWaalsContact C-N 3.28Å; S252-V254 PolarHBondContact O-N 2.93Å; V254-D256 VanDerWaalsContact C-N 3.32Å; V254-D256 PolarHBondContact O-N 2.94Å; V254-L257 PolarHBondContact O-N 3.44Å; V254-E258 HydrophobicContact CG1-CG 4.25Å; V254-E258 WeakPolarHBondContact O-CB 3.36Å; V254-E258 WeakPolarHBondContact O-CG 3.44Å; V254-E258 PolarHBondContact O-N 3.44Å
255T96.1Very high95.9Very high66 Ų6693.2 Ų93.241%0.40548%0.482SS..Hα-helixtrans-65.1-32.4177.551.80000113.5Q251 S252 T259Q251-T255 PolarHBondContact O-N 3.36Å; Q251-T255 PolarHBondContact O-OG1 3.26Å; S252-T255 WeakPolarHBondContact CA-OG1 3.46Å; S252-T255 CarbonylContact O-C 3.6Å; S252-T255 PolarHBondContact O-N 3.22Å; S252-T255 PolarHBondContact O-OG1 2.86Å; T255-T259 WeakPolarHBondContact O-CB 3.39Å; T255-T259 WeakPolarHBondContact O-CG2 3.33Å; T255-T259 PolarHBondContact O-N 2.89Å; T255-T259 PolarHBondContact O-OG1 3.46Å
256D96.1Very high95.9Very high99 Ų9991.3 Ų91.353%0.52948%0.475SS..Hα-helixtrans-67.6-39.7174-60.3-28.8000111.1S252 V254 T259 S260S252-D256 PolarHBondContact O-N 3.16Å; V254-D256 VanDerWaalsContact C-N 3.32Å; V254-D256 PolarHBondContact O-N 2.94Å; D256-T259 WeakPolarHBondContact CA-OG1 3.26Å; D256-T259 PolarHBondContact O-OG1 3.18Å; D256-T259 VanDerWaalsContact O-OG1 3.06Å; D256-S260 VanDerWaalsContact O-CB 3.23Å; D256-S260 WeakPolarHBondContact O-CB 3.4Å; D256-S260 PolarHBondContact O-N 3.05Å
257L94.9Very high95.8Very high97 Ų9794.5 Ų94.551%0.50848%0.478SS..Hα-helixtrans-72-40175.4-74.4174.6000112.3R253 V254 S260 C261R253-L257 HydrophobicContact CG-CD1 4.34Å; R253-L257 WeakPolarHBondContact O-CB 3.25Å; R253-L257 VanDerWaalsContact O-CG 3.26Å; R253-L257 WeakPolarHBondContact O-CG 3.36Å; R253-L257 PolarHBondContact O-N 2.94Å; V254-L257 PolarHBondContact O-N 3.44Å; L257-S260 PolarHBondContact O-N 2.8Å; L257-C261 VanDerWaalsContact O-CB 3.27Å; L257-C261 WeakPolarHBondContact O-CB 3.44Å; L257-C261 PolarHBondContact O-N 3.38Å; L257-C261 PolarHBondContact O-SG 3.05Å
258E96.2Very high95.9Very high103 Ų10396.6 Ų96.648%0.48148%0.476SS..Hα-helixtrans-63.6-43.4175.5-76.2178.617900112.3V254 R262V254-E258 HydrophobicContact CG1-CG 4.25Å; V254-E258 WeakPolarHBondContact O-CB 3.36Å; V254-E258 WeakPolarHBondContact O-CG 3.44Å; V254-E258 PolarHBondContact O-N 3.44Å; E258-R262 WeakPolarHBondContact O-CB 3.48Å; E258-R262 PolarHBondContact O-N 3.32Å
259T95.6Very high95.8Very high62 Ų6297.6 Ų97.638%0.3848%0.475SS..Hα-helixtrans-66.2-45.7175.648.20000111.1T255 D256 C261 R262 E263T255-T259 WeakPolarHBondContact O-CB 3.39Å; T255-T259 WeakPolarHBondContact O-CG2 3.33Å; T255-T259 PolarHBondContact O-N 2.89Å; T255-T259 PolarHBondContact O-OG1 3.46Å; D256-T259 WeakPolarHBondContact CA-OG1 3.26Å; D256-T259 PolarHBondContact O-OG1 3.18Å; D256-T259 VanDerWaalsContact O-OG1 3.06Å; T259-C261 PolarHBondContact O-N 2.95Å; T259-R262 WeakPolarHBondContact O-CB 3.24Å; T259-R262 PolarHBondContact O-N 2.88Å; T259-R262 VanDerWaalsContact O-N 3.16Å; T259-E263 PolarHBondContact O-N 2.81Å
260S96.4Very high95.8Very high51 Ų5197.5 Ų97.536%0.35747%0.473SS..Hα-helixtrans-59.2-43.9174.5-177.10000112.6D256 L257 R262 E263 L264D256-S260 VanDerWaalsContact O-CB 3.23Å; D256-S260 WeakPolarHBondContact O-CB 3.4Å; D256-S260 PolarHBondContact O-N 3.05Å; L257-S260 PolarHBondContact O-N 2.8Å; S260-R262 VanDerWaalsContact C-N 3.33Å; S260-R262 PolarHBondContact O-N 3.35Å; S260-E263 PolarHBondContact O-N 3.25Å; S260-L264 WeakPolarHBondContact O-CB 3.45Å; S260-L264 VanDerWaalsContact O-CG 3.27Å; S260-L264 WeakPolarHBondContact O-CG 3.31Å; S260-L264 PolarHBondContact O-N 2.75Å
261C94.3Very high95.7Very high73 Ų7396.7 Ų96.749%0.49347%0.469SS..Hα-helixtrans-65.2-35.3175.8-71.50000112.4L257 T259 T265L257-C261 VanDerWaalsContact O-CB 3.27Å; L257-C261 WeakPolarHBondContact O-CB 3.44Å; L257-C261 PolarHBondContact O-N 3.38Å; L257-C261 PolarHBondContact O-SG 3.05Å; T259-C261 PolarHBondContact O-N 2.95Å; C261-T265 WeakPolarHBondContact O-CB 3.23Å; C261-T265 PolarHBondContact O-N 2.84Å; C261-T265 PolarHBondContact O-OG1 2.92Å
262R96.1Very high95.6Very high141 Ų14194 Ų9453%0.53246%0.457SS..Hα-helixtrans-65.3-49.6173.4-168.3-177.6-56.4142.28.8111.1E258 T259 S260 L264 T265 E266E258-R262 WeakPolarHBondContact O-CB 3.48Å; E258-R262 PolarHBondContact O-N 3.32Å; T259-R262 WeakPolarHBondContact O-CB 3.24Å; T259-R262 PolarHBondContact O-N 2.88Å; T259-R262 VanDerWaalsContact O-N 3.16Å; S260-R262 VanDerWaalsContact C-N 3.33Å; S260-R262 PolarHBondContact O-N 3.35Å; R262-L264 PolarHBondContact O-N 3.17Å; R262-T265 PolarHBondContact O-N 2.9Å; R262-E266 PolarHBondContact O-N 3.17Å
263E95.7Very high95.6Very high93 Ų9393.4 Ų93.444%0.43545%0.453SS..Hα-helixtrans-60.4-44.2176.1-67.8-172.9-179.400112.5T259 S260 T265 E266 R267T259-E263 PolarHBondContact O-N 2.81Å; S260-E263 PolarHBondContact O-N 3.25Å; E263-T265 VanDerWaalsContact C-N 3.3Å; E263-T265 PolarHBondContact O-N 2.93Å; E263-E266 PolarHBondContact O-N 2.71Å; E263-R267 VanDerWaalsContact CB-NH1 3.31Å; E263-R267 WeakPolarHBondContact O-CB 3.21Å; E263-R267 VanDerWaalsContact O-CG 3.28Å; E263-R267 WeakPolarHBondContact O-CG 3.27Å; E263-R267 PolarHBondContact O-N 3.13Å; E263-R267 IonicContact OE2-CZ 3.86Å; E263-R267 IonicContact OE2-NH1 3.53Å; E263-R267 PolarHBondContact OE2-NH1 2.88Å; E263-R267 IonicContact OE2-NH2 2.66Å; E263-R267 PolarHBondContact OE2-NH2 3.45Å
264L94.8Very high95.5Very high99 Ų9989.6 Ų89.652%0.51844%0.444SS..Hα-helixtrans-64.1-37.7177.6-73.4170.1000111.2S260 R262 R267 R268S260-L264 WeakPolarHBondContact O-CB 3.45Å; S260-L264 VanDerWaalsContact O-CG 3.27Å; S260-L264 WeakPolarHBondContact O-CG 3.31Å; S260-L264 PolarHBondContact O-N 2.75Å; R262-L264 PolarHBondContact O-N 3.17Å; L264-R267 PolarHBondContact O-N 3.45Å; L264-R268 WeakPolarHBondContact O-CB 3.38Å; L264-R268 PolarHBondContact O-N 3.06Å
265T94.8Very high95.4Very high52 Ų5291.3 Ų91.332%0.31945%0.45SS..Hα-helixtrans-66.9-41.9174.4-63.20000111.6C261 R262 E263 R268 Y269C261-T265 WeakPolarHBondContact O-CB 3.23Å; C261-T265 PolarHBondContact O-N 2.84Å; C261-T265 PolarHBondContact O-OG1 2.92Å; R262-T265 PolarHBondContact O-N 2.9Å; E263-T265 VanDerWaalsContact C-N 3.3Å; E263-T265 PolarHBondContact O-N 2.93Å; T265-R268 WeakPolarHBondContact O-CB 3.36Å; T265-R268 PolarHBondContact O-N 3.31Å; T265-Y269 HydrophobicContact CG2-CD2 3.81Å; T265-Y269 HydrophobicContact CG2-CE2 3.39Å; T265-Y269 VanDerWaalsContact O-CD2 3.25Å; T265-Y269 WeakPolarHBondContact O-CD2 3.43Å; T265-Y269 PolarHBondContact O-N 3.28Å
266E95.9Very high95.3Very high91 Ų9195.1 Ų95.143%0.42546%0.457SS..Hα-helixtrans-62.8-44.9172.2-77.9-173.7-141.100112.8R262 E263 R268 Y269 K270R262-E266 PolarHBondContact O-N 3.17Å; E263-E266 PolarHBondContact O-N 2.71Å; E266-R268 VanDerWaalsContact C-N 3.26Å; E266-R268 PolarHBondContact O-N 2.73Å; E266-Y269 PolarHBondContact O-N 3.48Å; E266-K270 WeakPolarHBondContact O-CB 3.28Å; E266-K270 WeakPolarHBondContact O-CD 3.38Å; E266-K270 VanDerWaalsContact O-CG 3.23Å; E266-K270 WeakPolarHBondContact O-CG 3.27Å; E266-K270 PolarHBondContact O-N 2.93Å; E266-K270 IonicContact OE2-NZ 3.96Å; E266-K270 PolarHBondContact OE2-NZ 2.87Å
267R95.9Very high95.2Very high123 Ų12394.1 Ų94.146%0.46445%0.451SS..Hα-helixtrans-59.1-40.7174.2-73.1172.9-174.5117.19.1110.3E263 L264 K270 N271E263-R267 VanDerWaalsContact CB-NH1 3.31Å; E263-R267 WeakPolarHBondContact O-CB 3.21Å; E263-R267 VanDerWaalsContact O-CG 3.28Å; E263-R267 WeakPolarHBondContact O-CG 3.27Å; E263-R267 PolarHBondContact O-N 3.13Å; E263-R267 IonicContact OE2-CZ 3.86Å; E263-R267 IonicContact OE2-NH1 3.53Å; E263-R267 PolarHBondContact OE2-NH1 2.88Å; E263-R267 IonicContact OE2-NH2 2.66Å; E263-R267 PolarHBondContact OE2-NH2 3.45Å; L264-R267 PolarHBondContact O-N 3.45Å; R267-K270 PolarHBondContact O-N 2.86Å; R267-N271 WeakPolarHBondContact O-CB 3.23Å; R267-N271 PolarHBondContact O-N 3.36Å; R267-N271 PolarHBondContact O-OD1 2.83Å
268R96.8Very high95.1Very high113 Ų11394.4 Ų94.443%0.42645%0.453SS..Hα-helixtrans-61.1-51.3174.8-156.4-167.276.3-126.1-9.4111.3L264 T265 E266 K270 N271 E272L264-R268 WeakPolarHBondContact O-CB 3.38Å; L264-R268 PolarHBondContact O-N 3.06Å; T265-R268 WeakPolarHBondContact O-CB 3.36Å; T265-R268 PolarHBondContact O-N 3.31Å; E266-R268 VanDerWaalsContact C-N 3.26Å; E266-R268 PolarHBondContact O-N 2.73Å; R268-K270 PolarHBondContact O-N 2.83Å; R268-N271 PolarHBondContact O-N 3.43Å; R268-E272 WeakPolarHBondContact CD-OE1 3.46Å; R268-E272 WeakPolarHBondContact CG-OE1 3.43Å; R268-E272 IonicContact CZ-OE1 2.63Å; R268-E272 IonicContact NE-OE1 2.82Å; R268-E272 PolarHBondContact NE-OE1 3.31Å; R268-E272 IonicContact NH2-OE1 2.71Å; R268-E272 WeakPolarHBondContact O-CB 3.31Å; R268-E272 VanDerWaalsContact O-CG 3.29Å; R268-E272 WeakPolarHBondContact O-CG 3.3Å; R268-E272 PolarHBondContact O-N 3.04Å
269Y95.9Very high95.1Very high134 Ų13496.8 Ų96.853%0.52546%0.462SS..Hα-helixtrans-62.6-38.1177.7-73-52.1000113.3T265 E266 E272 S273T265-Y269 HydrophobicContact CG2-CD2 3.81Å; T265-Y269 HydrophobicContact CG2-CE2 3.39Å; T265-Y269 VanDerWaalsContact O-CD2 3.25Å; T265-Y269 WeakPolarHBondContact O-CD2 3.43Å; T265-Y269 PolarHBondContact O-N 3.28Å; E266-Y269 PolarHBondContact O-N 3.48Å; Y269-E272 VanDerWaalsContact CD1-OE2 3.24Å; Y269-E272 WeakPolarHBondContact CD1-OE2 3.29Å; Y269-E272 PolarHBondContact O-N 3.48Å; Y269-S273 PolarHBondContact O-N 2.7Å
270K95.6Very high95Very high115 Ų11599.3 Ų99.350%0.547%0.472SS..Hα-helixtrans-61.8-47.2173.8-72.8159.5-176.9160.20110.5E266 R267 R268 S273 I274E266-K270 WeakPolarHBondContact O-CB 3.28Å; E266-K270 WeakPolarHBondContact O-CD 3.38Å; E266-K270 VanDerWaalsContact O-CG 3.23Å; E266-K270 WeakPolarHBondContact O-CG 3.27Å; E266-K270 PolarHBondContact O-N 2.93Å; E266-K270 IonicContact OE2-NZ 3.96Å; E266-K270 PolarHBondContact OE2-NZ 2.87Å; R267-K270 PolarHBondContact O-N 2.86Å; R268-K270 PolarHBondContact O-N 2.83Å; K270-S273 WeakPolarHBondContact O-CB 3.41Å; K270-S273 PolarHBondContact O-N 2.75Å; K270-I274 WeakPolarHBondContact O-CG1 3.41Å; K270-I274 PolarHBondContact O-N 2.88Å; K270-I274 VanDerWaalsContact O-N 3.07Å
271N93.3Very high94.9Very high92 Ų92103.7 Ų103.749%0.49248%0.484SS..Hα-helixtrans-65.6-40.9176-68.3-7000112.6R267 R268 S273 I274 I275R267-N271 WeakPolarHBondContact O-CB 3.23Å; R267-N271 PolarHBondContact O-N 3.36Å; R267-N271 PolarHBondContact O-OD1 2.83Å; R268-N271 PolarHBondContact O-N 3.43Å; N271-S273 VanDerWaalsContact C-N 3.26Å; N271-S273 PolarHBondContact O-N 3.39Å; N271-I274 PolarHBondContact O-N 2.91Å; N271-I275 WeakPolarHBondContact O-CB 3.36Å; N271-I275 VanDerWaalsContact O-CG1 3.24Å; N271-I275 WeakPolarHBondContact O-CG1 3.33Å; N271-I275 PolarHBondContact O-N 3.47Å
272E95.1Very high94.7Very high70 Ų70104.9 Ų104.933%0.32749%0.485SS..Hα-helixtrans-62.6-29.9174-75.6168.4-167.100112.5R268 Y269 R276R268-E272 WeakPolarHBondContact CD-OE1 3.46Å; R268-E272 WeakPolarHBondContact CG-OE1 3.43Å; R268-E272 IonicContact CZ-OE1 2.63Å; R268-E272 IonicContact NE-OE1 2.82Å; R268-E272 PolarHBondContact NE-OE1 3.31Å; R268-E272 IonicContact NH2-OE1 2.71Å; R268-E272 WeakPolarHBondContact O-CB 3.31Å; R268-E272 VanDerWaalsContact O-CG 3.29Å; R268-E272 WeakPolarHBondContact O-CG 3.3Å; R268-E272 PolarHBondContact O-N 3.04Å; Y269-E272 VanDerWaalsContact CD1-OE2 3.24Å; Y269-E272 WeakPolarHBondContact CD1-OE2 3.29Å; Y269-E272 PolarHBondContact O-N 3.48Å; E272-R276 VanDerWaalsContact O-CG 3.3Å; E272-R276 WeakPolarHBondContact O-CG 3.31Å; E272-R276 PolarHBondContact O-N 2.96Å; E272-R276 PolarHBondContact O-NE 2.78Å
273S95.4Very high94.6Very high43 Ų43100.4 Ų100.430%0.30148%0.476SS..Hα-helixtrans-69.2-53.7169.5-153.10000111Y269 K270 N271 I275 R276 D277Y269-S273 PolarHBondContact O-N 2.7Å; K270-S273 WeakPolarHBondContact O-CB 3.41Å; K270-S273 PolarHBondContact O-N 2.75Å; N271-S273 VanDerWaalsContact C-N 3.26Å; N271-S273 PolarHBondContact O-N 3.39Å; S273-I275 VanDerWaalsContact C-N 3.26Å; S273-I275 PolarHBondContact O-N 3.25Å; S273-R276 WeakPolarHBondContact O-CA 3.41Å; S273-R276 WeakPolarHBondContact O-CB 3.24Å; S273-R276 PolarHBondContact O-N 3.37Å; S273-D277 VanDerWaalsContact O-CG 3.24Å; S273-D277 PolarHBondContact O-N 3.22Å
274I95.4Very high94.4Very high91 Ų9197.1 Ų97.147%0.46747%0.467SS..Hα-helixtrans-56.9-40.3179.9-64.9163.9000111.3K270 N271 D277 L278K270-I274 WeakPolarHBondContact O-CG1 3.41Å; K270-I274 PolarHBondContact O-N 2.88Å; K270-I274 VanDerWaalsContact O-N 3.07Å; N271-I274 PolarHBondContact O-N 2.91Å; I274-D277 PolarHBondContact O-N 3.42Å; I274-L278 HydrophobicContact CG2-CD1 3.84Å; I274-L278 HydrophobicContact CG2-CG 4.28Å; I274-L278 VanDerWaalsContact O-CB 3.31Å; I274-L278 WeakPolarHBondContact O-CB 3.41Å; I274-L278 VanDerWaalsContact O-CG 3.24Å; I274-L278 WeakPolarHBondContact O-CG 3.42Å; I274-L278 PolarHBondContact O-N 3.18Å
275I93.3Very high94.1Very high110 Ų11095.7 Ų95.756%0.56447%0.465SS*.Hα-helixtrans-65.2-39.5176.1-70.8164.8000111.5N271 S273 K279N271-I275 WeakPolarHBondContact O-CB 3.36Å; N271-I275 VanDerWaalsContact O-CG1 3.24Å; N271-I275 WeakPolarHBondContact O-CG1 3.33Å; N271-I275 PolarHBondContact O-N 3.47Å; S273-I275 VanDerWaalsContact C-N 3.26Å; S273-I275 PolarHBondContact O-N 3.25Å; I275-K279 WeakPolarHBondContact O-CB 3.37Å; I275-K279 PolarHBondContact O-N 3.23Å
276R94.6Very high93.9Very high146 Ų14698.5 Ų98.555%0.55148%0.475SS*.Hα-helixtrans-65.6-45.8173.7-76.6176.4-68.5150.50.4111.3E272 S273 L278 K279 I280E272-R276 VanDerWaalsContact O-CG 3.3Å; E272-R276 WeakPolarHBondContact O-CG 3.31Å; E272-R276 PolarHBondContact O-N 2.96Å; E272-R276 PolarHBondContact O-NE 2.78Å; S273-R276 WeakPolarHBondContact O-CA 3.41Å; S273-R276 WeakPolarHBondContact O-CB 3.24Å; S273-R276 PolarHBondContact O-N 3.37Å; R276-L278 PolarHBondContact O-N 3.25Å; R276-K279 PolarHBondContact O-N 2.96Å; R276-I280 VanDerWaalsContact O-CG1 3.31Å; R276-I280 WeakPolarHBondContact O-CG1 3.49Å; R276-I280 PolarHBondContact O-N 3.44Å
277D94.1Very high93.8Very high77 Ų7799.2 Ų99.241%0.41248%0.478SS..Hα-helixtrans-63.6-41.4179.9-59.2-34.2000111.7S273 I274 K281S273-D277 VanDerWaalsContact O-CG 3.24Å; S273-D277 PolarHBondContact O-N 3.22Å; I274-D277 PolarHBondContact O-N 3.42Å; D277-K281 WeakPolarHBondContact O-CG 3.37Å; D277-K281 PolarHBondContact O-N 2.83Å
278L92.8Very high93.5Very high104 Ų10498.3 Ų98.355%0.54548%0.479SS..Hα-helixtrans-66.9-38.1173.2-72.9173.6000112.1I274 R276 K281 L282I274-L278 HydrophobicContact CG2-CD1 3.84Å; I274-L278 HydrophobicContact CG2-CG 4.28Å; I274-L278 VanDerWaalsContact O-CB 3.31Å; I274-L278 WeakPolarHBondContact O-CB 3.41Å; I274-L278 VanDerWaalsContact O-CG 3.24Å; I274-L278 WeakPolarHBondContact O-CG 3.42Å; I274-L278 PolarHBondContact O-N 3.18Å; R276-L278 PolarHBondContact O-N 3.25Å; L278-K281 PolarHBondContact O-N 2.86Å; L278-L282 WeakPolarHBondContact O-CB 3.1Å; L278-L282 PolarHBondContact O-N 3.07Å
279K95Very high93.1Very high153 Ų15395.4 Ų95.467%0.66548%0.475SS*.Hα-helixtrans-66.5-39.5176.7-172.2174.6-177.5179.70112.1I275 R276 L282 S283I275-K279 WeakPolarHBondContact O-CB 3.37Å; I275-K279 PolarHBondContact O-N 3.23Å; R276-K279 PolarHBondContact O-N 2.96Å; K279-L282 PolarHBondContact O-N 3.44Å; K279-S283 PolarHBondContact O-N 2.92Å; K279-S283 PolarHBondContact O-OG 3.15Å
280I95.1Very high92.8Very high114 Ų11494.7 Ų94.759%0.58548%0.477SS*.Hα-helixtrans-64.6-43174.7-68.5163.1000110.7R276 S283 G284R276-I280 VanDerWaalsContact O-CG1 3.31Å; R276-I280 WeakPolarHBondContact O-CG1 3.49Å; R276-I280 PolarHBondContact O-N 3.44Å; I280-S283 PolarHBondContact O-OG 2.95Å; I280-G284 PolarHBondContact O-N 3.42Å
281K94.1Very high92.6Very high144 Ų14495 Ų9563%0.62648%0.475SS*.Hα-helixtrans-62.4-44.7174.1-74.1171.4-179.7177.40111.9D277 L278 G284 S285D277-K281 WeakPolarHBondContact O-CG 3.37Å; D277-K281 PolarHBondContact O-N 2.83Å; L278-K281 PolarHBondContact O-N 2.86Å; K281-G284 PolarHBondContact O-N 2.98Å; K281-S285 PolarHBondContact O-N 3.34Å; K281-S285 PolarHBondContact O-OG 3.24Å
282L90.3Very high92.3Very high98 Ų9895.6 Ų95.651%0.51348%0.477SS..Hα-helixtrans-59.4-51176.8178.361.6000111L278 K279 G284 S285 E286L278-L282 WeakPolarHBondContact O-CB 3.1Å; L278-L282 PolarHBondContact O-N 3.07Å; K279-L282 PolarHBondContact O-N 3.44Å; L282-G284 VanDerWaalsContact C-N 3.29Å; L282-G284 PolarHBondContact O-N 3.19Å; L282-S285 PolarHBondContact O-N 3.35Å; L282-E286 HydrophobicContact CD1-CG 4.11Å; L282-E286 HydrophobicContact CG-CG 4.33Å; L282-E286 WeakPolarHBondContact O-CB 3.22Å; L282-E286 WeakPolarHBondContact O-CG 3.39Å; L282-E286 PolarHBondContact O-N 2.88Å
283S92.8Very high92.1Very high47 Ų4798.5 Ų98.533%0.32949%0.489SS..Hα-helixtrans-61.8-36.9178.354.30000112.5K279 I280 E286 E287K279-S283 PolarHBondContact O-N 2.92Å; K279-S283 PolarHBondContact O-OG 3.15Å; I280-S283 PolarHBondContact O-OG 2.95Å; S283-E286 PolarHBondContact O-N 3.04Å; S283-E287 WeakPolarHBondContact O-CB 3.24Å; S283-E287 WeakPolarHBondContact O-CG 3.33Å; S283-E287 PolarHBondContact O-N 3Å
284G91.5Very high91.8Very high24 Ų24102 Ų10225%0.24750%0.501CS..Hα-helixtrans-61.7-45.9173.800000112.8I280 K281 L282 E287 E288I280-G284 PolarHBondContact O-N 3.42Å; K281-G284 PolarHBondContact O-N 2.98Å; L282-G284 VanDerWaalsContact C-N 3.29Å; L282-G284 PolarHBondContact O-N 3.19Å; G284-E287 PolarHBondContact O-N 3.31Å; G284-E288 WeakPolarHBondContact O-CG 3.41Å; G284-E288 PolarHBondContact O-N 3Å
285S88.6Confident91.5Very high69 Ų69103.1 Ų103.148%0.48350%0.504SS..Hα-helixtrans-71.5-28.3175.7-63.90000113.5K281 L282 C289K281-S285 PolarHBondContact O-N 3.34Å; K281-S285 PolarHBondContact O-OG 3.24Å; L282-S285 PolarHBondContact O-N 3.35Å; S285-C289 WeakPolarHBondContact O-CB 3.37Å; S285-C289 PolarHBondContact O-N 2.91Å
286E91.4Very high91.2Very high111 Ų111101.4 Ų101.452%0.51950%0.498SS..Hα-helixtrans-68-44.1171.1-75.3175.2157.800111.1L282 S283 C289 Q290L282-E286 HydrophobicContact CD1-CG 4.11Å; L282-E286 HydrophobicContact CG-CG 4.33Å; L282-E286 WeakPolarHBondContact O-CB 3.22Å; L282-E286 WeakPolarHBondContact O-CG 3.39Å; L282-E286 PolarHBondContact O-N 2.88Å; S283-E286 PolarHBondContact O-N 3.04Å; E286-C289 WeakPolarHBondContact O-CB 3.36Å; E286-C289 PolarHBondContact O-N 2.94Å; E286-Q290 VanDerWaalsContact O-CB 3.31Å; E286-Q290 WeakPolarHBondContact O-CB 3.47Å; E286-Q290 PolarHBondContact O-N 3.39Å
287E92.1Very high90.8Very high106 Ų10698.9 Ų98.950%0.49550%0.495SS..Hα-helixtrans-61.8-41.4172.1-75.9178.1-160.100112.4S283 G284 Q290 R291S283-E287 WeakPolarHBondContact O-CB 3.24Å; S283-E287 WeakPolarHBondContact O-CG 3.33Å; S283-E287 PolarHBondContact O-N 3Å; G284-E287 PolarHBondContact O-N 3.31Å; E287-Q290 CarbonylContact O-C 3.08Å; E287-Q290 PolarHBondContact O-N 2.85Å; E287-R291 WeakPolarHBondContact O-CB 3.41Å; E287-R291 VanDerWaalsContact O-CG 3.31Å; E287-R291 WeakPolarHBondContact O-CG 3.32Å; E287-R291 PolarHBondContact O-N 2.86Å; E287-R291 PolarHBondContact O-NE 3.41Å; E287-R291 IonicContact OE2-NH2 3.7Å; E287-R291 PolarHBondContact OE2-NH2 3.07Å
288E90.8Very high90.5Very high103 Ų10398.3 Ų98.348%0.48150%0.497SS..Hα-helixtrans-64.5-44.1174.8-76.6172.9171.400111.3G284 Q290 R291 L292G284-E288 WeakPolarHBondContact O-CG 3.41Å; G284-E288 PolarHBondContact O-N 3Å; E288-Q290 VanDerWaalsContact C-N 3.26Å; E288-Q290 PolarHBondContact O-N 3.1Å; E288-R291 PolarHBondContact O-N 3.32Å; E288-L292 WeakPolarHBondContact O-CB 3.31Å; E288-L292 VanDerWaalsContact O-CG 3.32Å; E288-L292 WeakPolarHBondContact O-CG 3.31Å; E288-L292 PolarHBondContact O-N 3.39Å
289C87.6Confident90.1Very high53 Ų5397.9 Ų97.936%0.35850%0.495SS..Hα-helixtrans-59.6-37.8172.2-173.80000111.5S285 E286 K293S285-C289 WeakPolarHBondContact O-CB 3.37Å; S285-C289 PolarHBondContact O-N 2.91Å; E286-C289 WeakPolarHBondContact O-CB 3.36Å; E286-C289 PolarHBondContact O-N 2.94Å; C289-K293 WeakPolarHBondContact O-CB 3.21Å; C289-K293 WeakPolarHBondContact O-CD 3.48Å; C289-K293 WeakPolarHBondContact O-CG 3.23Å; C289-K293 PolarHBondContact O-N 2.78Å; C289-K293 WeakPolarHBondContact SG-CE 3.02Å; C289-K293 PolarHBondContact SG-NZ 2.81Å
290Q90.5Very high89.8Confident118 Ų11899.3 Ų99.355%0.55150%0.496SS*.Hα-helixtrans-73.5-38.6178.2-169.7163.6-6.100112.4E286 E287 E288 K293 Q294E286-Q290 VanDerWaalsContact O-CB 3.31Å; E286-Q290 WeakPolarHBondContact O-CB 3.47Å; E286-Q290 PolarHBondContact O-N 3.39Å; E287-Q290 CarbonylContact O-C 3.08Å; E287-Q290 PolarHBondContact O-N 2.85Å; E288-Q290 VanDerWaalsContact C-N 3.26Å; E288-Q290 PolarHBondContact O-N 3.1Å; Q290-K293 PolarHBondContact O-N 2.79Å; Q290-Q294 WeakPolarHBondContact O-CB 3.41Å; Q290-Q294 WeakPolarHBondContact O-CG 3.49Å; Q290-Q294 PolarHBondContact O-N 3.33Å
291R90.5Very high89.4Confident123 Ų123102.2 Ų102.246%0.46450%0.5SS..Hα-helixtrans-60.4-47170-76.7176.6-110.1147.4-6111E287 E288 Q294 Q295E287-R291 WeakPolarHBondContact O-CB 3.41Å; E287-R291 VanDerWaalsContact O-CG 3.31Å; E287-R291 WeakPolarHBondContact O-CG 3.32Å; E287-R291 PolarHBondContact O-N 2.86Å; E287-R291 PolarHBondContact O-NE 3.41Å; E287-R291 IonicContact OE2-NH2 3.7Å; E287-R291 PolarHBondContact OE2-NH2 3.07Å; E288-R291 PolarHBondContact O-N 3.32Å; R291-Q294 WeakPolarHBondContact O-CB 3.38Å; R291-Q294 PolarHBondContact O-N 2.87Å; R291-Q295 PolarHBondContact O-N 3.07Å
292L87.6Confident88.9Confident103 Ų103100.4 Ų100.454%0.53949%0.493SS..Hα-helixtrans-63.7-41.1175.6-71.3169.8000112.1E288 Q294 Q295 V296E288-L292 WeakPolarHBondContact O-CB 3.31Å; E288-L292 VanDerWaalsContact O-CG 3.32Å; E288-L292 WeakPolarHBondContact O-CG 3.31Å; E288-L292 PolarHBondContact O-N 3.39Å; L292-Q294 PolarHBondContact O-N 2.88Å; L292-Q295 PolarHBondContact O-N 3.48Å; L292-V296 WeakPolarHBondContact O-CG2 3.42Å; L292-V296 PolarHBondContact O-N 2.94Å
293K90.3Very high88.4Confident131 Ų131100.1 Ų100.157%0.5749%0.492SS*.Hα-helixtrans-61.1-41.9172.5-77.8163.6179.2162.20112C289 Q290 V296 L297C289-K293 WeakPolarHBondContact O-CB 3.21Å; C289-K293 WeakPolarHBondContact O-CD 3.48Å; C289-K293 WeakPolarHBondContact O-CG 3.23Å; C289-K293 PolarHBondContact O-N 2.78Å; C289-K293 WeakPolarHBondContact SG-CE 3.02Å; C289-K293 PolarHBondContact SG-NZ 2.81Å; Q290-K293 PolarHBondContact O-N 2.79Å; K293-V296 PolarHBondContact O-N 3.25Å; K293-L297 WeakPolarHBondContact O-CB 3.32Å; K293-L297 VanDerWaalsContact O-CG 3.3Å; K293-L297 WeakPolarHBondContact O-CG 3.44Å; K293-L297 PolarHBondContact O-N 3.46Å
294Q89.4Confident88Confident118 Ų118101.1 Ų101.155%0.55150%0.499SS*.Hα-helixtrans-64.2-41.3174.5-75.9175.3-10.400111.8Q290 R291 L292 L297 S298Q290-Q294 WeakPolarHBondContact O-CB 3.41Å; Q290-Q294 WeakPolarHBondContact O-CG 3.49Å; Q290-Q294 PolarHBondContact O-N 3.33Å; R291-Q294 WeakPolarHBondContact O-CB 3.38Å; R291-Q294 PolarHBondContact O-N 2.87Å; L292-Q294 PolarHBondContact O-N 2.88Å; Q294-L297 PolarHBondContact O-N 2.8Å; Q294-S298 PolarHBondContact O-N 3.2Å
295Q89.6Confident87.5Confident114 Ų114103.6 Ų103.653%0.53351%0.51SS..Hα-helixtrans-62.9-45.3175.6-169.1178.314.900111.6R291 L292 L297 S298 L299R291-Q295 PolarHBondContact O-N 3.07Å; L292-Q295 PolarHBondContact O-N 3.48Å; Q295-L297 VanDerWaalsContact C-N 3.32Å; Q295-L297 PolarHBondContact O-N 3.48Å; Q295-S298 WeakPolarHBondContact O-CB 3.3Å; Q295-S298 PolarHBondContact O-N 3.11Å; Q295-S298 VanDerWaalsContact O-N 3.13Å; Q295-L299 HydrophobicContact CG-CD1 4.21Å; Q295-L299 WeakPolarHBondContact O-CG 3.49Å; Q295-L299 PolarHBondContact O-N 3.46Å
296V85.8Confident87.1Confident74 Ų74104.5 Ų104.545%0.44851%0.509SS..Hα-helixtrans-61.9-37.91741700000111.8L292 K293 R300L292-V296 WeakPolarHBondContact O-CG2 3.42Å; L292-V296 PolarHBondContact O-N 2.94Å; K293-V296 PolarHBondContact O-N 3.25Å; V296-R300 WeakPolarHBondContact O-CB 3.35Å; V296-R300 VanDerWaalsContact O-CG 3.27Å; V296-R300 WeakPolarHBondContact O-CG 3.21Å; V296-R300 PolarHBondContact O-N 2.8Å
297L87.1Confident86.6Confident93 Ų93103 Ų10349%0.48751%0.505SS..Hα-helixtrans-68.3-33.5173.6-74169.7000112.6K293 Q294 Q295 R301K293-L297 WeakPolarHBondContact O-CB 3.32Å; K293-L297 VanDerWaalsContact O-CG 3.3Å; K293-L297 WeakPolarHBondContact O-CG 3.44Å; K293-L297 PolarHBondContact O-N 3.46Å; Q294-L297 PolarHBondContact O-N 2.8Å; Q295-L297 VanDerWaalsContact C-N 3.32Å; Q295-L297 PolarHBondContact O-N 3.48Å; L297-R301 WeakPolarHBondContact O-CG 3.37Å; L297-R301 PolarHBondContact O-N 3.43Å
298S87.8Confident86Confident65 Ų65102 Ų10246%0.45551%0.506SS..Hα-helixtrans-67.2-52173.5-159.90000110.9Q294 Q295 R300 R301 E302Q294-S298 PolarHBondContact O-N 3.2Å; Q295-S298 WeakPolarHBondContact O-CB 3.3Å; Q295-S298 PolarHBondContact O-N 3.11Å; Q295-S298 VanDerWaalsContact O-N 3.13Å; S298-R300 VanDerWaalsContact C-N 3.26Å; S298-R300 PolarHBondContact O-N 3.13Å; S298-R301 WeakPolarHBondContact O-CB 3.37Å; S298-R301 PolarHBondContact O-N 2.87Å; S298-E302 WeakPolarHBondContact O-CB 3.32Å; S298-E302 PolarHBondContact O-N 2.87Å
299L84.1Confident85.6Confident94 Ų94103 Ų10349%0.49251%0.51SS..Hα-helixtrans-59.8-34.7177.6-69.3167.3000112.3Q295 E302 N303Q295-L299 HydrophobicContact CG-CD1 4.21Å; Q295-L299 WeakPolarHBondContact O-CG 3.49Å; Q295-L299 PolarHBondContact O-N 3.46Å; L299-E302 PolarHBondContact O-N 2.86Å; L299-N303 WeakPolarHBondContact O-CB 3.46Å; L299-N303 PolarHBondContact O-N 3.06Å
300R88.1Confident85.3Confident183 Ų183104 Ų10469%0.69152%0.515SS*.Hα-helixtrans-68-35.3172.9-79178.1177.4-148-1.1113.4V296 S298 S304V296-R300 WeakPolarHBondContact O-CB 3.35Å; V296-R300 VanDerWaalsContact O-CG 3.27Å; V296-R300 WeakPolarHBondContact O-CG 3.21Å; V296-R300 PolarHBondContact O-N 2.8Å; S298-R300 VanDerWaalsContact C-N 3.26Å; S298-R300 PolarHBondContact O-N 3.13Å; R300-S304 WeakPolarHBondContact O-CB 3.35Å; R300-S304 PolarHBondContact O-N 3.26Å
301R86.7Confident84.8Confident176 Ų176104.2 Ų104.266%0.66452%0.516SS*.Hα-helixtrans-69.7-44.1173.2-71.8167.2-179.2154.4-1.1110.7L297 S298 S304 T305L297-R301 WeakPolarHBondContact O-CG 3.37Å; L297-R301 PolarHBondContact O-N 3.43Å; S298-R301 WeakPolarHBondContact O-CB 3.37Å; S298-R301 PolarHBondContact O-N 2.87Å; R301-S304 CarbonylContact O-C 3.55Å; R301-S304 WeakPolarHBondContact O-CB 3.43Å; R301-S304 PolarHBondContact O-N 3.28Å; R301-S304 VanDerWaalsContact O-N 3.16Å; R301-T305 PolarHBondContact O-N 3.49Å; R301-T305 PolarHBondContact O-OG1 3.29Å; R301-T305 VanDerWaalsContact O-OG1 3.13Å
302E85.4Confident84.4Confident105 Ų105102.7 Ų102.749%0.49151%0.514SS..Hα-helixtrans-59.6-46.9177.1-172.4172-170.900111.5S298 L299 S304 T305 L306S298-E302 WeakPolarHBondContact O-CB 3.32Å; S298-E302 PolarHBondContact O-N 2.87Å; L299-E302 PolarHBondContact O-N 2.86Å; E302-S304 PolarHBondContact O-N 3.23Å; E302-T305 VanDerWaalsContact CA-OG1 3.32Å; E302-T305 WeakPolarHBondContact CA-OG1 3.42Å; E302-T305 PolarHBondContact O-N 2.93Å; E302-T305 PolarHBondContact O-OG1 3.37Å; E302-L306 WeakPolarHBondContact O-CG 3.35Å; E302-L306 PolarHBondContact O-N 2.88Å
303N79.2Confident84Confident92 Ų92104.8 Ų104.849%0.49252%0.519SS..Hα-helixtrans-62.2-41.7173-159.197.4000111.9L299 T305 L306 D307L299-N303 WeakPolarHBondContact O-CB 3.46Å; L299-N303 PolarHBondContact O-N 3.06Å; N303-T305 VanDerWaalsContact C-N 3.3Å; N303-T305 PolarHBondContact O-N 3.46Å; N303-L306 PolarHBondContact O-N 2.89Å; N303-D307 PolarHBondContact ND2-OD2 3.13Å; N303-D307 VanDerWaalsContact ND2-OD2 3.12Å; N303-D307 VanDerWaalsContact O-CG 3.29Å; N303-D307 PolarHBondContact O-N 2.62Å
304S83.6Confident83.5Confident68 Ų68103.3 Ų103.348%0.47651%0.514SS..Hα-helixtrans-65.3-31175.8-176.50000113.1R300 R301 E302 T308R300-S304 WeakPolarHBondContact O-CB 3.35Å; R300-S304 PolarHBondContact O-N 3.26Å; R301-S304 CarbonylContact O-C 3.55Å; R301-S304 WeakPolarHBondContact O-CB 3.43Å; R301-S304 PolarHBondContact O-N 3.28Å; R301-S304 VanDerWaalsContact O-N 3.16Å; E302-S304 PolarHBondContact O-N 3.23Å; S304-T308 PolarHBondContact O-N 2.88Å; S304-T308 PolarHBondContact O-OG1 3.49Å
305T82.5Confident83.2Confident77 Ų77103.6 Ų103.647%0.47251%0.51SS..Hα-helixtrans-73.6-38.4171.941.80000111.6R301 E302 N303 T308 E309R301-T305 PolarHBondContact O-N 3.49Å; R301-T305 PolarHBondContact O-OG1 3.29Å; R301-T305 VanDerWaalsContact O-OG1 3.13Å; E302-T305 VanDerWaalsContact CA-OG1 3.32Å; E302-T305 WeakPolarHBondContact CA-OG1 3.42Å; E302-T305 PolarHBondContact O-N 2.93Å; E302-T305 PolarHBondContact O-OG1 3.37Å; N303-T305 VanDerWaalsContact C-N 3.3Å; N303-T305 PolarHBondContact O-N 3.46Å; T305-T308 WeakPolarHBondContact CA-OG1 3.27Å; T305-T308 PolarHBondContact O-N 3.38Å; T305-T308 PolarHBondContact O-OG1 2.88Å; T305-E309 PolarHBondContact O-N 3Å
306L78.8Confident82.7Confident87 Ų87101 Ų10146%0.45550%0.501SS..Hα-helixtrans-63.4-40.4173-70.3168000111.6E302 N303 T308 E309 V310E302-L306 WeakPolarHBondContact O-CG 3.35Å; E302-L306 PolarHBondContact O-N 2.88Å; N303-L306 PolarHBondContact O-N 2.89Å; L306-T308 VanDerWaalsContact C-N 3.32Å; L306-T308 PolarHBondContact O-N 2.75Å; L306-E309 PolarHBondContact O-N 3.18Å; L306-V310 WeakPolarHBondContact O-CG2 3.48Å; L306-V310 PolarHBondContact O-N 2.66Å
307D81.8Confident82.4Confident81 Ų81101.1 Ų101.143%0.43350%0.502SS..Hα-helixtrans-59.2-41.6172-69.1-36.5000111.2N303 V310 H311N303-D307 PolarHBondContact ND2-OD2 3.13Å; N303-D307 VanDerWaalsContact ND2-OD2 3.12Å; N303-D307 VanDerWaalsContact O-CG 3.29Å; N303-D307 PolarHBondContact O-N 2.62Å; D307-V310 PolarHBondContact O-N 3.29Å; D307-H311 PolarHBondContact O-N 2.87Å
308T80.1Confident81.9Confident85 Ų8599.6 Ų99.652%0.52150%0.499SS..Hα-helixtrans-69.5-33.8174.7550000113.7S304 T305 L306 E312S304-T308 PolarHBondContact O-N 2.88Å; S304-T308 PolarHBondContact O-OG1 3.49Å; T305-T308 WeakPolarHBondContact CA-OG1 3.27Å; T305-T308 PolarHBondContact O-N 3.38Å; T305-T308 PolarHBondContact O-OG1 2.88Å; L306-T308 VanDerWaalsContact C-N 3.32Å; L306-T308 PolarHBondContact O-N 2.75Å; T308-E312 WeakPolarHBondContact O-CB 3.47Å; T308-E312 PolarHBondContact O-N 2.87Å
309E81.4Confident81.3Confident122 Ų122102.3 Ų102.357%0.5751%0.505SS*.Hα-helixtrans-67.7-41.6172.2-73.8-168.1-179.600111.2T305 L306 E312 K313T305-E309 PolarHBondContact O-N 3Å; L306-E309 PolarHBondContact O-N 3.18Å; E309-E312 PolarHBondContact O-N 3.19Å; E309-K313 WeakPolarHBondContact O-CG 3.47Å; E309-K313 PolarHBondContact O-N 3.41Å
310V81.6Confident80.8Confident76 Ų76102.7 Ų102.746%0.46151%0.507SS..Hα-helixtrans-58.3-50.5174.1167.80000110.3L306 D307 E312 K313 E314L306-V310 WeakPolarHBondContact O-CG2 3.48Å; L306-V310 PolarHBondContact O-N 2.66Å; D307-V310 PolarHBondContact O-N 3.29Å; V310-E312 VanDerWaalsContact C-N 3.32Å; V310-E312 PolarHBondContact O-N 2.73Å; V310-K313 CarbonylContact O-C 3.59Å; V310-K313 WeakPolarHBondContact O-CB 3.39Å; V310-K313 PolarHBondContact O-N 3.2Å; V310-K313 VanDerWaalsContact O-N 3.1Å; V310-E314 HydrophobicContact CG1-CG 4.32Å; V310-E314 WeakPolarHBondContact O-CG 3.36Å; V310-E314 PolarHBondContact O-N 2.95Å
311H80.3Confident80.2Confident122 Ų12299.8 Ų99.857%0.56550%0.501SS*.Hα-helixtrans-62.3-34.5177.7-73.9-29.6000113.6D307 E314 R315D307-H311 PolarHBondContact O-N 2.87Å; H311-E314 IonicContact CE1-OE2 3.12Å; H311-E314 IonicContact CG-OE2 3.01Å; H311-E314 IonicContact ND1-OE2 2.66Å; H311-E314 PolarHBondContact ND1-OE2 3.16Å; H311-R315 WeakPolarHBondContact O-CB 3.35Å; H311-R315 PolarHBondContact O-N 2.81Å
312E82.3Confident79.7Confident91 Ų9196.2 Ų96.243%0.42550%0.498SS..Hα-helixtrans-69.9-36.9173.4177.959.5-168.300111.9T308 E309 V310 R315 V316T308-E312 WeakPolarHBondContact O-CB 3.47Å; T308-E312 PolarHBondContact O-N 2.87Å; E309-E312 PolarHBondContact O-N 3.19Å; V310-E312 VanDerWaalsContact C-N 3.32Å; V310-E312 PolarHBondContact O-N 2.73Å; E312-R315 PolarHBondContact O-N 3.46Å; E312-R315 IonicContact OE1-CZ 2.79Å; E312-R315 IonicContact OE1-NE 2.7Å; E312-R315 IonicContact OE1-NH2 3.95Å; E312-R315 PolarHBondContact OE1-NH2 3.21Å; E312-R315 IonicContact OE2-CZ 2.77Å; E312-R315 IonicContact OE2-NE 3.62Å; E312-R315 PolarHBondContact OE2-NE 2.84Å; E312-R315 IonicContact OE2-NH2 3.99Å; E312-R315 PolarHBondContact OE2-NH2 2.9Å; E312-V316 WeakPolarHBondContact O-CG2 3.35Å; E312-V316 PolarHBondContact O-N 3.18Å
313K78.6Confident79.4Confident147 Ų14799.8 Ų99.864%0.63951%0.507SS*.Hα-helixtrans-65.8-43.2172.3-63.1-73.9177.2-179.50111.2E309 V310 R315 V316 V317E309-K313 WeakPolarHBondContact O-CG 3.47Å; E309-K313 PolarHBondContact O-N 3.41Å; V310-K313 CarbonylContact O-C 3.59Å; V310-K313 WeakPolarHBondContact O-CB 3.39Å; V310-K313 PolarHBondContact O-N 3.2Å; V310-K313 VanDerWaalsContact O-N 3.1Å; K313-R315 VanDerWaalsContact C-N 3.35Å; K313-V316 PolarHBondContact O-N 3.47Å; K313-V317 WeakPolarHBondContact O-CG2 3.38Å; K313-V317 PolarHBondContact O-N 2.68Å
314E79.9Confident79.1Confident100 Ų10098.9 Ų98.947%0.46751%0.505SS..Hα-helixtrans-59.4-44.6173.7-71.8176.6142.900111.1V310 H311 V316 V317 S318V310-E314 HydrophobicContact CG1-CG 4.32Å; V310-E314 WeakPolarHBondContact O-CG 3.36Å; V310-E314 PolarHBondContact O-N 2.95Å; H311-E314 IonicContact CE1-OE2 3.12Å; H311-E314 IonicContact CG-OE2 3.01Å; H311-E314 IonicContact ND1-OE2 2.66Å; H311-E314 PolarHBondContact ND1-OE2 3.16Å; E314-V316 VanDerWaalsContact C-N 3.34Å; E314-V316 PolarHBondContact O-N 3.05Å; E314-V317 PolarHBondContact O-N 2.73Å; E314-V317 VanDerWaalsContact O-N 3.16Å; E314-S318 PolarHBondContact O-N 2.89Å; E314-S318 PolarHBondContact O-OG 3.22Å
315R82.3Confident78.8Confident124 Ų12498.2 Ų98.247%0.46850%0.504SS..Hα-helixtrans-58.8-43.7175.5-166.5-175.471.572.51.9111.9H311 E312 K313 Q319H311-R315 WeakPolarHBondContact O-CB 3.35Å; H311-R315 PolarHBondContact O-N 2.81Å; E312-R315 PolarHBondContact O-N 3.46Å; E312-R315 IonicContact OE1-CZ 2.79Å; E312-R315 IonicContact OE1-NE 2.7Å; E312-R315 IonicContact OE1-NH2 3.95Å; E312-R315 PolarHBondContact OE1-NH2 3.21Å; E312-R315 IonicContact OE2-CZ 2.77Å; E312-R315 IonicContact OE2-NE 3.62Å; E312-R315 PolarHBondContact OE2-NE 2.84Å; E312-R315 IonicContact OE2-NH2 3.99Å; E312-R315 PolarHBondContact OE2-NH2 2.9Å; K313-R315 VanDerWaalsContact C-N 3.35Å; R315-Q319 WeakPolarHBondContact O-CB 3.19Å; R315-Q319 PolarHBondContact O-N 2.82Å
316V80.1Confident78.5Confident59 Ų5998.6 Ų98.636%0.35851%0.506SS..Hα-helixtrans-66.3-40.7175.1170.30000111.6E312 K313 E314 Q319 L320E312-V316 WeakPolarHBondContact O-CG2 3.35Å; E312-V316 PolarHBondContact O-N 3.18Å; K313-V316 PolarHBondContact O-N 3.47Å; E314-V316 VanDerWaalsContact C-N 3.34Å; E314-V316 PolarHBondContact O-N 3.05Å; V316-Q319 PolarHBondContact O-N 3.24Å; V316-L320 HydrophobicContact CG1-CD1 4.13Å; V316-L320 WeakPolarHBondContact O-CG 3.47Å; V316-L320 PolarHBondContact O-N 3.34Å
317V77.8Confident78.2Confident76 Ų7699 Ų9946%0.46151%0.508SS..Hα-helixtrans-61.5-47.2175.1167.20000111K313 E314 Q319 L320 Q321K313-V317 WeakPolarHBondContact O-CG2 3.38Å; K313-V317 PolarHBondContact O-N 2.68Å; E314-V317 PolarHBondContact O-N 2.73Å; E314-V317 VanDerWaalsContact O-N 3.16Å; V317-Q319 VanDerWaalsContact C-N 3.32Å; V317-Q319 PolarHBondContact O-N 3.01Å; V317-L320 PolarHBondContact O-N 3.27Å; V317-Q321 HydrophobicContact CG1-CG 4.42Å; V317-Q321 WeakPolarHBondContact O-CG 3.33Å; V317-Q321 PolarHBondContact O-N 3.1Å
318S76.7Confident77.8Confident62 Ų62100.6 Ų100.643%0.43451%0.513SS..Hα-helixtrans-61.3-39.8175.2-58.30000112.2E314 L320 Q321 V322E314-S318 PolarHBondContact O-N 2.89Å; E314-S318 PolarHBondContact O-OG 3.22Å; S318-L320 VanDerWaalsContact C-N 3.3Å; S318-L320 PolarHBondContact O-N 3.03Å; S318-Q321 PolarHBondContact O-N 3.41Å; S318-V322 WeakPolarHBondContact O-CG2 3.48Å; S318-V322 PolarHBondContact O-N 2.81Å
319Q76Confident77.6Confident121 Ų121100.8 Ų100.857%0.56551%0.508SS*.Hα-helixtrans-66.5-31.8177.6-163.9168.426.700112.4R315 V316 V317 R323R315-Q319 WeakPolarHBondContact O-CB 3.19Å; R315-Q319 PolarHBondContact O-N 2.82Å; V316-Q319 PolarHBondContact O-N 3.24Å; V317-Q319 VanDerWaalsContact C-N 3.32Å; V317-Q319 PolarHBondContact O-N 3.01Å; Q319-R323 PolarHBondContact O-N 3.12Å
320L74.6Confident77.1Confident103 Ų10399.5 Ų99.554%0.53950%0.502SS..Hα-helixtrans-74.8-40.6171.3-70.9169.7000112.3V316 V317 S318 V322 R323 V324V316-L320 HydrophobicContact CG1-CD1 4.13Å; V316-L320 WeakPolarHBondContact O-CG 3.47Å; V316-L320 PolarHBondContact O-N 3.34Å; V317-L320 PolarHBondContact O-N 3.27Å; S318-L320 VanDerWaalsContact C-N 3.3Å; S318-L320 PolarHBondContact O-N 3.03Å; L320-V322 PolarHBondContact O-N 2.96Å; L320-R323 CarbonylContact O-C 3.58Å; L320-R323 WeakPolarHBondContact O-CA 3.36Å; L320-R323 WeakPolarHBondContact O-CB 3.37Å; L320-R323 PolarHBondContact O-N 3.43Å; L320-R323 VanDerWaalsContact O-N 3.07Å; L320-V324 WeakPolarHBondContact O-CG2 3.34Å; L320-V324 PolarHBondContact O-N 3.29Å
321Q73.6Confident76.7Confident122 Ų12299.4 Ų99.457%0.5750%0.501SS*.Hα-helixtrans-59.5-44.3176.7-76.3171.7-26.100112.3V317 S318 R323 V324 A325V317-Q321 HydrophobicContact CG1-CG 4.42Å; V317-Q321 WeakPolarHBondContact O-CG 3.33Å; V317-Q321 PolarHBondContact O-N 3.1Å; S318-Q321 PolarHBondContact O-N 3.41Å; Q321-R323 VanDerWaalsContact C-N 3.26Å; Q321-R323 PolarHBondContact O-N 3.19Å; Q321-V324 PolarHBondContact O-N 3.27Å; Q321-A325 PolarHBondContact O-N 3.43Å
322V76.8Confident76.4Confident100 Ų10099.4 Ų99.461%0.60650%0.5SS*.Hα-helixtrans-59.4-39173.81720000111.2S318 L320 A325 V326S318-V322 WeakPolarHBondContact O-CG2 3.48Å; S318-V322 PolarHBondContact O-N 2.81Å; L320-V322 PolarHBondContact O-N 2.96Å; V322-A325 PolarHBondContact O-N 3.4Å; V322-V326 WeakPolarHBondContact O-CG2 3.33Å; V322-V326 PolarHBondContact O-N 2.98Å
323R78.8Confident76Confident180 Ų18098.8 Ų98.868%0.67950%0.499SS*.Hα-helixtrans-72.7-31.1179.3-169.3166.3178.1145.1-3.1113Q319 L320 Q321 L327Q319-R323 PolarHBondContact O-N 3.12Å; L320-R323 CarbonylContact O-C 3.58Å; L320-R323 WeakPolarHBondContact O-CA 3.36Å; L320-R323 WeakPolarHBondContact O-CB 3.37Å; L320-R323 PolarHBondContact O-N 3.43Å; L320-R323 VanDerWaalsContact O-N 3.07Å; Q321-R323 VanDerWaalsContact C-N 3.26Å; Q321-R323 PolarHBondContact O-N 3.19Å; R323-L327 WeakPolarHBondContact O-CG 3.35Å; R323-L327 PolarHBondContact O-N 2.94Å
324V73.9Confident75.7Confident74 Ų7497.8 Ų97.845%0.44850%0.495SS..Hα-helixtrans-66.4-49.2169.9170.60000110.2L320 Q321 V326 L327 E328L320-V324 WeakPolarHBondContact O-CG2 3.34Å; L320-V324 PolarHBondContact O-N 3.29Å; Q321-V324 PolarHBondContact O-N 3.27Å; V324-V326 VanDerWaalsContact C-N 3.28Å; V324-V326 PolarHBondContact O-N 2.89Å; V324-L327 PolarHBondContact O-N 2.86Å; V324-E328 HydrophobicContact CG1-CG 4.09Å; V324-E328 WeakPolarHBondContact O-CG 3.37Å; V324-E328 PolarHBondContact O-N 3.15Å
325A76.3Confident75.3Confident54 Ų5498.2 Ų98.245%0.44650%0.497SS..Hα-helixtrans-59-36-179.200000113.5Q321 V322 Q329Q321-A325 PolarHBondContact O-N 3.43Å; V322-A325 PolarHBondContact O-N 3.4Å; A325-Q329 PolarHBondContact O-N 3.41Å; A325-Q329 VanDerWaalsContact O-N 3.13Å
326V77.6Confident74.8Confident84 Ų8497.3 Ų97.351%0.50950%0.499SS..Hα-helixtrans-65.1-43.1173.1170.80000111.6V322 V324 Q329 E330V322-V326 WeakPolarHBondContact O-CG2 3.33Å; V322-V326 PolarHBondContact O-N 2.98Å; V324-V326 VanDerWaalsContact C-N 3.28Å; V324-V326 PolarHBondContact O-N 2.89Å; V326-Q329 PolarHBondContact O-N 2.84Å; V326-E330 PolarHBondContact O-N 2.86Å
327L72.3Confident74.4Confident95 Ų9599 Ų9950%0.49751%0.51SS..Hα-helixtrans-69.8-35.6178.5-69.7169.1000112.4R323 V324 Q329 E330 V331R323-L327 WeakPolarHBondContact O-CG 3.35Å; R323-L327 PolarHBondContact O-N 2.94Å; V324-L327 PolarHBondContact O-N 2.86Å; L327-Q329 VanDerWaalsContact C-N 3.32Å; L327-Q329 PolarHBondContact O-N 3.16Å; L327-E330 PolarHBondContact O-N 3.5Å; L327-V331 WeakPolarHBondContact O-CG2 3.48Å; L327-V331 PolarHBondContact O-N 3.35Å
328E72.9Confident73.8Confident115 Ų115101.7 Ų101.754%0.53752%0.519SS..Hα-helixtrans-64.4-35.7173.5-71.6177.2161.500112.2V324 V331 K332V324-E328 HydrophobicContact CG1-CG 4.09Å; V324-E328 WeakPolarHBondContact O-CG 3.37Å; V324-E328 PolarHBondContact O-N 3.15Å; E328-V331 PolarHBondContact O-N 3.07Å; E328-K332 PolarHBondContact O-N 3.05Å; E328-K332 VanDerWaalsContact O-N 3.16Å
329Q74.9Confident73.5Confident89 Ų89106.2 Ų106.242%0.41653%0.527SS..Hα-helixtrans-70.3-42.6173.8-17455.445.100111.7A325 V326 L327 V331 K332 D333A325-Q329 PolarHBondContact O-N 3.41Å; A325-Q329 VanDerWaalsContact O-N 3.13Å; V326-Q329 PolarHBondContact O-N 2.84Å; L327-Q329 VanDerWaalsContact C-N 3.32Å; L327-Q329 PolarHBondContact O-N 3.16Å; Q329-V331 PolarHBondContact O-N 2.77Å; Q329-K332 PolarHBondContact O-N 3.24Å; Q329-D333 VanDerWaalsContact NE2-CG 3.3Å; Q329-D333 PolarHBondContact NE2-OD1 3.36Å; Q329-D333 PolarHBondContact NE2-OD2 2.97Å; Q329-D333 VanDerWaalsContact NE2-OD2 3.08Å; Q329-D333 PolarHBondContact O-N 2.88Å
330E71.9Confident73.2Confident95 Ų95107.9 Ų107.944%0.44453%0.529SS..Hα-helixtrans-57.8-31.2172.2-89.1-160.6-150.200113.5V326 L327 K334V326-E330 PolarHBondContact O-N 2.86Å; L327-E330 PolarHBondContact O-N 3.5Å; E330-K334 VanDerWaalsContact O-CD 3.22Å; E330-K334 WeakPolarHBondContact O-CD 3.48Å; E330-K334 WeakPolarHBondContact O-CE 3.22Å; E330-K334 VanDerWaalsContact O-CG 3.27Å; E330-K334 WeakPolarHBondContact O-CG 3.47Å; E330-K334 PolarHBondContact O-N 3.24Å; E330-K334 IonicContact OE2-NZ 2.7Å; E330-K334 PolarHBondContact OE2-NZ 3.24Å
331V72.6Confident72.8Confident75 Ų75107.3 Ų107.346%0.45553%0.53SS..Hα-helixtrans-71.6-48.6174.91690000110.6L327 E328 Q329 D333 K334 E335L327-V331 WeakPolarHBondContact O-CG2 3.48Å; L327-V331 PolarHBondContact O-N 3.35Å; E328-V331 PolarHBondContact O-N 3.07Å; Q329-V331 PolarHBondContact O-N 2.77Å; V331-D333 VanDerWaalsContact C-N 3.3Å; V331-D333 PolarHBondContact O-N 3.46Å; V331-K334 WeakPolarHBondContact O-CB 3.46Å; V331-K334 PolarHBondContact O-N 3.48Å; V331-K334 VanDerWaalsContact O-N 3.09Å; V331-E335 HydrophobicContact CG1-CG 4.3Å; V331-E335 WeakPolarHBondContact O-CG 3.38Å; V331-E335 PolarHBondContact O-N 3.18Å
332K75.1Confident72.5Confident121 Ų121107.2 Ų107.253%0.52653%0.527SS..Hα-helixtrans-56.8-41.1177.6-79.3173.7177164.10113.4E328 Q329 K334 E335 M336E328-K332 PolarHBondContact O-N 3.05Å; E328-K332 VanDerWaalsContact O-N 3.16Å; Q329-K332 PolarHBondContact O-N 3.24Å; K332-K334 VanDerWaalsContact C-N 3.31Å; K332-K334 PolarHBondContact O-N 2.79Å; K332-E335 PolarHBondContact O-N 3.13Å; K332-M336 PolarHBondContact O-N 3.42Å
333D72.6Confident72.1Confident79 Ų79107.6 Ų107.642%0.42252%0.522SS..Hα-helixtrans-69.3-32.1-179.7-65.5-29.6000111.4Q329 V331 V337Q329-D333 VanDerWaalsContact NE2-CG 3.3Å; Q329-D333 PolarHBondContact NE2-OD1 3.36Å; Q329-D333 PolarHBondContact NE2-OD2 2.97Å; Q329-D333 VanDerWaalsContact NE2-OD2 3.08Å; Q329-D333 PolarHBondContact O-N 2.88Å; V331-D333 VanDerWaalsContact C-N 3.3Å; V331-D333 PolarHBondContact O-N 3.46Å; D333-V337 WeakPolarHBondContact O-CG2 3.5Å; D333-V337 PolarHBondContact O-N 3.28Å
334K73.1Confident71.6Confident125 Ų125103.7 Ų103.754%0.54352%0.518SS..Hα-helixtrans-70.9-40170.9-69.3162.9-166.5150.10111.9E330 V331 K332 M336 V337 M338E330-K334 VanDerWaalsContact O-CD 3.22Å; E330-K334 WeakPolarHBondContact O-CD 3.48Å; E330-K334 WeakPolarHBondContact O-CE 3.22Å; E330-K334 VanDerWaalsContact O-CG 3.27Å; E330-K334 WeakPolarHBondContact O-CG 3.47Å; E330-K334 PolarHBondContact O-N 3.24Å; E330-K334 IonicContact OE2-NZ 2.7Å; E330-K334 PolarHBondContact OE2-NZ 3.24Å; V331-K334 WeakPolarHBondContact O-CB 3.46Å; V331-K334 PolarHBondContact O-N 3.48Å; V331-K334 VanDerWaalsContact O-N 3.09Å; K332-K334 VanDerWaalsContact C-N 3.31Å; K332-K334 PolarHBondContact O-N 2.79Å; K334-M336 PolarHBondContact O-N 2.99Å; K334-V337 PolarHBondContact O-N 3.37Å; K334-M338 WeakPolarHBondContact O-CB 3.43Å; K334-M338 PolarHBondContact O-N 3.06Å
335E71.4Confident71Confident110 Ų110106 Ų10651%0.51453%0.528SS..Hα-helixtrans-61.5-41.5174.8-71.5177150.800112.2V331 K332 V337 M338 Y339V331-E335 HydrophobicContact CG1-CG 4.3Å; V331-E335 WeakPolarHBondContact O-CG 3.38Å; V331-E335 PolarHBondContact O-N 3.18Å; K332-E335 PolarHBondContact O-N 3.13Å; E335-V337 VanDerWaalsContact C-N 3.32Å; E335-V337 PolarHBondContact O-N 3.44Å; E335-M338 PolarHBondContact O-N 3.05Å; E335-Y339 PolarHBondContact O-N 3.42Å
336M70.9Confident70.5Confident105 Ų105108.5 Ų108.552%0.51753%0.53SS..Hα-helixtrans-67.2-31.3179-156.9-159.3-53.700113.1K332 K334 R340K332-M336 PolarHBondContact O-N 3.42Å; K334-M336 PolarHBondContact O-N 2.99Å; M336-R340 PolarHBondContact SD-NH1 3.47Å; M336-R340 VanDerWaalsContact SD-NH1 3.39Å
337V72.1Confident69.7Low95 Ų95107.5 Ų107.558%0.57653%0.531SS*.Hα-helixtrans-72.2-41.1171172.30000111D333 K334 E335 Y339 R340 T341D333-V337 WeakPolarHBondContact O-CG2 3.5Å; D333-V337 PolarHBondContact O-N 3.28Å; K334-V337 PolarHBondContact O-N 3.37Å; E335-V337 VanDerWaalsContact C-N 3.32Å; E335-V337 PolarHBondContact O-N 3.44Å; V337-Y339 PolarHBondContact O-N 3.5Å; V337-R340 PolarHBondContact O-N 3.43Å; V337-T341 PolarHBondContact O-N 3.09Å; V337-T341 VanDerWaalsContact O-N 3.11Å; V337-T341 PolarHBondContact O-OG1 2.96Å
338M65.8Low69.1Low132 Ų132106.9 Ų106.965%0.6553%0.531SS*.Hα-helixtrans-63.5-39.3177.9-168.8178.369.100112.1K334 E335 T341 K342K334-M338 WeakPolarHBondContact O-CB 3.43Å; K334-M338 PolarHBondContact O-N 3.06Å; E335-M338 PolarHBondContact O-N 3.05Å; M338-T341 WeakPolarHBondContact O-CB 3.4Å; M338-T341 PolarHBondContact O-N 3.36Å; M338-K342 PolarHBondContact O-N 3.05Å
339Y71Confident68.4Low156 Ų156105.7 Ų105.761%0.61253%0.525SS*.Hα-helixtrans-61.8-48.9177.7-158-79.6000112.1E335 V337 T341 K342 E343E335-Y339 PolarHBondContact O-N 3.42Å; V337-Y339 PolarHBondContact O-N 3.5Å; Y339-T341 PolarHBondContact O-N 3.08Å; Y339-K342 WeakPolarHBondContact O-CB 3.45Å; Y339-K342 PolarHBondContact O-N 3.18Å; Y339-E343 HydrophobicContact CD1-CG 4.18Å; Y339-E343 HydrophobicContact CE1-CG 4.07Å; Y339-E343 WeakPolarHBondContact CE1-OE1 3.27Å; Y339-E343 PolarHBondContact O-N 2.86Å
340R70.1Confident67.6Low157 Ų157108.9 Ų108.959%0.59254%0.54SS*.Hα-helixtrans-60.4-31.4174.7-76.7-174.117092.5-1.9113.2M336 V337 K342M336-R340 PolarHBondContact SD-NH1 3.47Å; M336-R340 VanDerWaalsContact SD-NH1 3.39Å; V337-R340 PolarHBondContact O-N 3.43Å; R340-K342 VanDerWaalsContact C-N 3.33Å
341T66.3Low66.9Low91 Ų91111.3 Ų111.356%0.55855%0.552SS**Hα-helixtrans-71.1-31.1176-50.10000111.5V337 M338 Y339 L345V337-T341 PolarHBondContact O-N 3.09Å; V337-T341 VanDerWaalsContact O-N 3.11Å; V337-T341 PolarHBondContact O-OG1 2.96Å; M338-T341 WeakPolarHBondContact O-CB 3.4Å; M338-T341 PolarHBondContact O-N 3.36Å; Y339-T341 PolarHBondContact O-N 3.08Å; T341-L345 PolarHBondContact O-N 3.36Å
342K66.1Low66Low119 Ų119112.3 Ų112.352%0.51755%0.55SS..Hα-helixtrans-72.2-42.7178-168176-175.4-93.10112.8M338 Y339 R340 V344 L345 E346M338-K342 PolarHBondContact O-N 3.05Å; Y339-K342 WeakPolarHBondContact O-CB 3.45Å; Y339-K342 PolarHBondContact O-N 3.18Å; R340-K342 VanDerWaalsContact C-N 3.33Å; K342-V344 VanDerWaalsContact C-N 3.29Å; K342-V344 PolarHBondContact O-N 3.23Å; K342-L345 WeakPolarHBondContact O-CB 3.44Å; K342-L345 PolarHBondContact O-N 3.34Å; K342-E346 WeakPolarHBondContact CE-OE1 3.5Å; K342-E346 IonicContact NZ-OE1 2.64Å; K342-E346 PolarHBondContact NZ-OE1 2.95Å; K342-E346 PolarHBondContact O-N 3.28Å
343E68.6Low65Low108 Ų108111.9 Ų111.951%0.50555%0.55SS..Hα-helixtrans-60.6-38179.5-66.2175.1133.400112.2Y339 L345 A347Y339-E343 HydrophobicContact CD1-CG 4.18Å; Y339-E343 HydrophobicContact CE1-CG 4.07Å; Y339-E343 WeakPolarHBondContact CE1-OE1 3.27Å; Y339-E343 PolarHBondContact O-N 2.86Å; E343-L345 VanDerWaalsContact C-N 3.32Å; E343-L345 PolarHBondContact O-N 3.5Å; E343-A347 PolarHBondContact O-N 3.31Å
344V67.3Low64.2Low99 Ų99112.1 Ų112.160%0.656%0.557SS**Hα-helixtrans-68.9-30175.2176.80000112.3K342 T348K342-V344 VanDerWaalsContact C-N 3.29Å; K342-V344 PolarHBondContact O-N 3.23Å; V344-T348 PolarHBondContact O-N 2.97Å; V344-T348 PolarHBondContact O-OG1 3Å
345L62Low63.4Low123 Ų123110.7 Ų110.764%0.64456%0.559SS**Hα-helixtrans-74.9-40.6178.8-160.774.3000112T341 K342 E343 A347 T348 Q349T341-L345 PolarHBondContact O-N 3.36Å; K342-L345 WeakPolarHBondContact O-CB 3.44Å; K342-L345 PolarHBondContact O-N 3.34Å; E343-L345 VanDerWaalsContact C-N 3.32Å; E343-L345 PolarHBondContact O-N 3.5Å; L345-A347 VanDerWaalsContact C-N 3.35Å; L345-T348 WeakPolarHBondContact CA-OG1 3.48Å; L345-T348 PolarHBondContact O-N 3.16Å; L345-T348 PolarHBondContact O-OG1 3.05Å; L345-T348 VanDerWaalsContact O-OG1 3.07Å; L345-Q349 PolarHBondContact O-N 2.78Å
346E65.8Low62.7Low106 Ų106110.6 Ų110.650%0.49556%0.558SS.*Hα-helixtrans-67.8-36.5177-70.9174.2-176.400111.5K342 T348 Q349 Q350K342-E346 WeakPolarHBondContact CE-OE1 3.5Å; K342-E346 IonicContact NZ-OE1 2.64Å; K342-E346 PolarHBondContact NZ-OE1 2.95Å; K342-E346 PolarHBondContact O-N 3.28Å; E346-T348 VanDerWaalsContact C-N 3.32Å; E346-T348 PolarHBondContact O-N 2.7Å; E346-Q349 PolarHBondContact O-N 3.44Å; E346-Q350 PolarHBondContact O-N 2.88Å
347A61Low61.8Low63 Ų63113.4 Ų113.452%0.52157%0.57SS.*Hα-helixtrans-64.8-31.2172.700000113.7E343 L345E343-A347 PolarHBondContact O-N 3.31Å; L345-A347 VanDerWaalsContact C-N 3.35Å
348T59.6Low60.8Low81 Ų81112.5 Ų112.550%0.49757%0.568SS.*Hα-helixtrans-82.9-28.7176.833.40000113V344 L345 E346 Q351V344-T348 PolarHBondContact O-N 2.97Å; V344-T348 PolarHBondContact O-OG1 3Å; L345-T348 WeakPolarHBondContact CA-OG1 3.48Å; L345-T348 PolarHBondContact O-N 3.16Å; L345-T348 PolarHBondContact O-OG1 3.05Å; L345-T348 VanDerWaalsContact O-OG1 3.07Å; E346-T348 VanDerWaalsContact C-N 3.32Å; E346-T348 PolarHBondContact O-N 2.7Å; T348-Q351 PolarHBondContact O-N 2.66Å
349Q57.8Low60Low91 Ų91109.3 Ų109.343%0.42556%0.563SS.*Hα-helixtrans-63.8-42.9174178.359.725.300112.2L345 E346 Q351 K352 E353L345-Q349 PolarHBondContact O-N 2.78Å; E346-Q349 PolarHBondContact O-N 3.44Å; Q349-Q351 PolarHBondContact O-N 3.2Å; Q349-Q351 VanDerWaalsContact O-N 3.13Å; Q349-K352 WeakPolarHBondContact O-CB 3.45Å; Q349-K352 PolarHBondContact O-N 3.11Å; Q349-E353 PolarHBondContact NE2-OE1 3.26Å
350Q58.1Low59.1Low155 Ų155109.5 Ų109.572%0.72457%0.569SS**THydrogen-bonded Turntrans-63.7-17.9177-73-170.6-18.700113.8E346E346-Q350 PolarHBondContact O-N 2.88Å
351Q57.2Low58.2Low147 Ų147108.7 Ų108.769%0.68758%0.577SS**THydrogen-bonded Turntrans-90.9-2.4175.7-158.2165.5600113.3T348 Q349T348-Q351 PolarHBondContact O-N 2.66Å; Q349-Q351 PolarHBondContact O-N 3.2Å; Q349-Q351 VanDerWaalsContact O-N 3.13Å
352K55Low57.6Low95 Ų95111.5 Ų111.541%0.41358%0.581SS.*THydrogen-bonded Turntrans-90.7-42.1175.5-177.5176.1178.3-83.40112.7Q349 S354 V355 E356Q349-K352 WeakPolarHBondContact O-CB 3.45Å; Q349-K352 PolarHBondContact O-N 3.11Å; K352-S354 VanDerWaalsContact C-N 3.31Å; K352-S354 PolarHBondContact O-N 3.46Å; K352-V355 WeakPolarHBondContact O-CB 3.39Å; K352-V355 PolarHBondContact O-N 3.47Å; K352-E356 WeakPolarHBondContact CE-OE1 3.46Å; K352-E356 IonicContact NZ-OE1 2.65Å; K352-E356 PolarHBondContact NZ-OE1 3.21Å; K352-E356 IonicContact NZ-OE2 2.69Å; K352-E356 PolarHBondContact NZ-OE2 3.3Å
353E52.6Low56.7Low113 Ų113111 Ų11153%0.52858%0.581SS.*Hα-helixtrans-65.8-30.9-169.6-71.8166.4-169.200113Q349 V355Q349-E353 PolarHBondContact NE2-OE1 3.26Å; E353-V355 PolarHBondContact O-N 2.91Å
354S55.4Low56.1Low84 Ų84111.3 Ų111.359%0.58759%0.59SS**Hα-helixtrans-73.4-4174.359.80000115K352K352-S354 VanDerWaalsContact C-N 3.31Å; K352-S354 PolarHBondContact O-N 3.46Å
355V58.3Low55.2Low95 Ų95114 Ų11458%0.57660%0.595SS**Hα-helixtrans-102.2-32.3178.1-178.40000111.6K352 E353 S358K352-V355 WeakPolarHBondContact O-CB 3.39Å; K352-V355 PolarHBondContact O-N 3.47Å; E353-V355 PolarHBondContact O-N 2.91Å; V355-S358 WeakPolarHBondContact O-CB 3.38Å; V355-S358 PolarHBondContact O-N 3.18Å
356E55.8Low54.3Low107 Ų107114.2 Ų114.250%0.560%0.597SS.*Hα-helixtrans-72-31.6-178.6-71.5177.3142.900112.3K352 S358 A359K352-E356 WeakPolarHBondContact CE-OE1 3.46Å; K352-E356 IonicContact NZ-OE1 2.65Å; K352-E356 PolarHBondContact NZ-OE1 3.21Å; K352-E356 IonicContact NZ-OE2 2.69Å; K352-E356 PolarHBondContact NZ-OE2 3.3Å; E356-S358 PolarHBondContact O-N 3.42Å; E356-S358 VanDerWaalsContact O-N 3.12Å; E356-A359 PolarHBondContact O-N 2.94Å
357E52.7Low53.6Low165 Ų165118.1 Ų118.177%0.77161%0.607SS**THydrogen-bonded Turntrans-60.3-20.9171.6-167.5176.4-16000113.3
358S49.8Very low53Low76 Ų76123.6 Ų123.653%0.53162%0.619SS.*THydrogen-bonded Turntrans-86-14.5-179.5-156.70000114.4V355 E356V355-S358 WeakPolarHBondContact O-CB 3.38Å; V355-S358 PolarHBondContact O-N 3.18Å; E356-S358 PolarHBondContact O-N 3.42Å; E356-S358 VanDerWaalsContact O-N 3.12Å
359A49.9Very low52.1Low64 Ų64126.2 Ų126.253%0.52963%0.629SS.*THydrogen-bonded Turntrans-91.2-46.7-170.100000113.5E356 N361 K362E356-A359 PolarHBondContact O-N 2.94Å; A359-N361 VanDerWaalsContact C-N 3.3Å; A359-N361 PolarHBondContact O-N 2.69Å; A359-K362 PolarHBondContact O-N 2.65Å; A359-K362 VanDerWaalsContact O-N 3.11Å
360E51.7Low51.3Low161 Ų161129.7 Ų129.775%0.75265%0.645SS**G310 helixtrans-65.6-31.1-167.4-162.1167.3-147.100113.1K362 E363E360-K362 PolarHBondContact O-N 2.82Å; E360-E363 PolarHBondContact O-N 3.17Å
361N50.4Low50.5Low140 Ų140124.9 Ų124.975%0.74963%0.633SS**G310 helixtrans-62.6-5.1174.9-92.1-55.7000115.2A359A359-N361 VanDerWaalsContact C-N 3.3Å; A359-N361 PolarHBondContact O-N 2.69Å
362K54.4Low50Low150 Ų150123.4 Ų123.465%0.65263%0.634SS**G310 helixtrans-105.9-20.2178.8-73.3169.3-177.2152.50114.9A359 E360 V364A359-K362 PolarHBondContact O-N 2.65Å; A359-K362 VanDerWaalsContact O-N 3.11Å; E360-K362 PolarHBondContact O-N 2.82Å; K362-V364 VanDerWaalsContact C-N 3.28Å; K362-V364 PolarHBondContact O-N 2.64Å
363E47.1Very low49.5Very low108 Ų108124.4 Ų124.451%0.50565%0.647SS.*Hα-helixtrans-70.9-26.8-178.3-163.9172.9145.300112.5E360 Q365 R367E360-E363 PolarHBondContact O-N 3.17Å; E363-Q365 PolarHBondContact O-N 3.07Å; E363-R367 IonicContact OE1-CZ 2.67Å; E363-R367 IonicContact OE1-NH1 2.99Å; E363-R367 PolarHBondContact OE1-NH1 3.28Å; E363-R367 IonicContact OE1-NH2 2.69Å; E363-R367 PolarHBondContact OE1-NH2 3.36Å
364V55.3Low49Very low115 Ų115128.1 Ų128.170%0.69766%0.662SS**Hα-helixtrans-64.4-19.5-177.5179.90000113.8K362K362-V364 VanDerWaalsContact C-N 3.28Å; K362-V364 PolarHBondContact O-N 2.64Å
365Q49Very low48.3Very low154 Ų154129 Ų12972%0.7267%0.668SS**Hα-helixtrans-97.2-26.3-175.8-65.1-161.3-4.700115.2E363E363-Q365 PolarHBondContact O-N 3.07Å
366L43.3Very low47.1Very low128 Ų128132.3 Ų132.367%0.6768%0.681SS**Hα-helixtrans-78.2-36.1-172.6-95.5163.5000114.3K368 L369L366-K368 PolarHBondContact O-N 2.86Å; L366-L369 PolarHBondContact O-N 3.39Å
367R50.6Low46Very low188 Ų188131.3 Ų131.371%0.70969%0.687SS**THydrogen-bonded Turntrans-69.78179.8-65.6-161.9-176.4926.5115.5E363E363-R367 IonicContact OE1-CZ 2.67Å; E363-R367 IonicContact OE1-NH1 2.99Å; E363-R367 PolarHBondContact OE1-NH1 3.28Å; E363-R367 IonicContact OE1-NH2 2.69Å; E363-R367 PolarHBondContact OE1-NH2 3.36Å
368K48.4Very low45.3Very low178 Ų178130.2 Ų130.277%0.77468%0.681SS**THydrogen-bonded Turntrans-103.9-6.1175.8-81.8-177.3174.3175.70114.7L366L366-K368 PolarHBondContact O-N 2.86Å
369L40.8Very low44.5Very low136 Ų136134.5 Ų134.571%0.71269%0.693SS**THydrogen-bonded Turntrans-117.3-12.3-173.9-86.4157.8000115.2L366L366-L369 PolarHBondContact O-N 3.39Å
370E41Very low43.6Very low164 Ų164137.7 Ų137.777%0.76670%0.7SS**SBendtrans-123.4126.5169.4-58.2-178.1137.300109.1
371A42.4Very low42.7Very low55 Ų55137.9 Ų137.946%0.45571%0.706SS.*  cis-155.4120.5-7.800000106.3V373 K374A371-V373 VanDerWaalsContact CA-N 3.33Å; A371-V373 HydrophobicContact CB-CB 3.99Å; A371-K374 HydrophobicContact CB-CB 4.14Å
372T46.5Very low42.5Very low116 Ų116139.2 Ų139.271%0.71271%0.705SS**SBendcis58.6-12.216.353.20000116.8
373V45.2Very low41.4Very low115 Ų115136.7 Ų136.770%0.69771%0.712SS**SBendtrans-133.1-8.2174.1-175.80000111.3A371A371-V373 VanDerWaalsContact CA-N 3.33Å; A371-V373 HydrophobicContact CB-CB 3.99Å
374K40.6Very low40.6Very low191 Ų191139.5 Ų139.583%0.8373%0.73SS**SBendtrans-100.111.4-171-144.8174.2-174174.70115.2A371A371-K374 HydrophobicContact CB-CB 4.14Å
375S41.6Very low39.6Very low103 Ų103136.7 Ų136.772%0.7273%0.725SS**SBendtrans-142.215.1-177.4710000114.5
376L32.5Very low38.8Very low164 Ų164136.7 Ų136.786%0.85973%0.728SS**SBendtrans-131.522.8176.3-88.4171.9000112.8
377S32.2Very low38.3Very low87 Ų87137.2 Ų137.261%0.60873%0.73SS**SBendtrans-147.3117.4165.6174.30000108.3
378E38.1Very low37.4Very low141 Ų141135.9 Ų135.966%0.65973%0.732SS**  cis-159.9143.2-10.2-121.1143.2144.900110.4L380E378-L380 HydrophobicContact CB-CB 4.22Å; E378-L380 HydrophobicContact CG-CB 3.78Å; E378-L380 PolarHBondContact O-N 3Å
379E32.8Very low36.6Very low166 Ų166135.8 Ų135.878%0.77673%0.731SS**SBendtrans-80.20.4162.6-74.3-157.890.300112.6L381 K382E379-L381 PolarHBondContact O-N 3.4Å; E379-K382 IonicContact OE1-NZ 3.91Å
380L32.7Very low36.3Very low131 Ų131138 Ų13869%0.68674%0.743SS**  trans-99.460.4-157.6-147.2175.3000112.6E378E378-L380 HydrophobicContact CB-CB 4.22Å; E378-L380 HydrophobicContact CG-CB 3.78Å; E378-L380 PolarHBondContact O-N 3Å
381L30.8Very low36.1Very low165 Ų165138.3 Ų138.386%0.86474%0.744SS**  trans-158.954.6151.9-113.3167.7000112.6E379E379-L381 PolarHBondContact O-N 3.4Å
382K47.3Very low35.7Very low169 Ų169138.4 Ų138.474%0.73575%0.751SS**  trans-81.5143.4162.1-77.3170-178.6152.50110E379E379-K382 IonicContact OE1-NZ 3.91Å
383A30.4Very low35.4Very low96 Ų96142.9 Ų142.979%0.79376%0.764SS**  trans71.373.2168.400000118.6
384N31.6Very low34.7Very low168 Ų168144.1 Ų144.190%0.89877%0.766SS**  -155.6139.5116.5-114.3-14000110.1
385G34.9Very low34.5Very low56 Ų56141.7 Ų141.758%0.57776%0.762SS**  cis168.285.5-400000113
386I31.6Very low34.1Very low153 Ų153144.6 Ų144.679%0.78576%0.764SS**  trans62.7105.7151.4-60.2173.6000116.5
387I32.1Very low34.2Very low139 Ų139141.9 Ų141.971%0.71376%0.759SS**  trans73.8143.5146.1-65.9176.3000115.5
388Q31.3Very low34.2Very low160 Ų160143 Ų14375%0.74877%0.773SS**  cis-138.3162.410.9-146.8136.12400114.3
389K33Very low34Very low176 Ų176143.6 Ų143.677%0.76578%0.776SS**  trans-49144.6169.9-52.2167.6177.1179.80113.9
390L33.5Very low34.8Very low182 Ų182145.3 Ų145.395%0.95378%0.775SS**  trans-60.8142.4145.1-83.1162.1000109.1
391Q37.8Very low34.9Very low171 Ų171148 Ų14880%0.79978%0.784SS**  trans-120.2155.5-177.8-62.6173.1-104.200110
392G34.1Very low34.9Very low57 Ų57147.4 Ų147.459%0.58878%0.781SS**  trans83.492.3147.400000117.6D394G392-D394 CarbonylContact C-O 3.59Å; G392-D394 WeakPolarHBondContact CA-O 3.37Å; G392-D394 VanDerWaalsContact O-O 3.11Å
393E40.3Very low34.6Very low211 Ų211146.2 Ų146.299%0.98678%0.782SS**SBend-87.4125.9103.6-61.8176.5131.900105.2
394D28.5Very low35.4Very low141 Ų141146 Ų14675%0.75477%0.774SS**  cis-53.7148.9-3.8-58.5-69.3000114.9G392G392-D394 CarbonylContact C-O 3.59Å; G392-D394 WeakPolarHBondContact CA-O 3.37Å; G392-D394 VanDerWaalsContact O-O 3.11Å
395L37.9Very low35.7Very low139 Ų139144.8 Ų144.873%0.72876%0.761SS**  cis-147.6179.125.9-157.994.9000112.8
396Q31.8Very low35.9Very low165 Ų165150.9 Ų150.977%0.77178%0.775SS**  trans-46.3167.2177.3-61165.3-13.900118.2
397S34.6Very low36.6Very low107 Ų107151.4 Ų151.475%0.74877%0.774SS**  trans80.4111.5169.476.30000114.8
398A32.8Very low37Very low110 Ų110151.6 Ų151.691%0.90977%0.772SS**SBend-64.2102.954.700000119
399Q33.7Very low37.6Very low153 Ų153150.1 Ų150.172%0.71577%0.773SS**  trans-165.4134.7151.4-122.3-178.68.300111
400R51Low37.9Very low203 Ų203148.9 Ų148.977%0.76677%0.768SS**SBendtrans64.9112-178.9-43.6175.7-148.4135.69.5112.9
401Q34.3Very low38.6Very low187 Ų187147.5 Ų147.587%0.87476%0.757SS**SBend-126.612.961.6-64.8-169-20.800116.5L403Q401-L403 PolarHBondContact O-N 3.03Å
402L31.1Very low38.6Very low152 Ų152145.7 Ų145.780%0.79675%0.752SS**SBendtrans-75.867.4173.1-150.3166.6000110.3
403L39.7Very low38.8Very low145 Ų145151.3 Ų151.376%0.75976%0.763SS**SBendtrans-166.528.5-174.7-131.8178.8000113.7Q401Q401-L403 PolarHBondContact O-N 3.03Å
404S48.1Very low38.9Very low90 Ų90146.6 Ų146.663%0.62974%0.741SS**SBendtrans-154.78.4-174-164.10000118.6
405K38.3Very low39.4Very low144 Ų144144.3 Ų144.363%0.62673%0.725SS**SBendtrans-139.53.4169.8-87.6-60.5-175.1171.50115.5E407 E408K405-E407 PolarHBondContact O-N 3.25Å; K405-E408 IonicContact NZ-OE1 3.64Å; K405-E408 PolarHBondContact NZ-OE1 3.44Å; K405-E408 IonicContact NZ-OE2 3.82Å; K405-E408 PolarHBondContact NZ-OE2 3.25Å
406E38.4Very low39.5Very low183 Ų183144.8 Ų144.886%0.85573%0.728SS**THydrogen-bonded Turntrans-83.735.9172.1-157.2158.3-166.800110.9
407E45.6Very low40Very low164 Ų164143 Ų14377%0.76672%0.72SS**THydrogen-bonded Turntrans-141.80.9-165-160.8164.3-139.300112.8K405K405-E407 PolarHBondContact O-N 3.25Å
408E40.9Very low41Very low143 Ų143141.6 Ų141.667%0.66870%0.702SS**SBendtrans-99.61.9179.6-117.2161.8-145.200114.1K405K405-E408 IonicContact NZ-OE1 3.64Å; K405-E408 PolarHBondContact NZ-OE1 3.44Å; K405-E408 IonicContact NZ-OE2 3.82Å; K405-E408 PolarHBondContact NZ-OE2 3.25Å
409V43.8Very low41.5Very low129 Ų129140.7 Ų140.778%0.78269%0.686SS**SBendtrans-124.158.6178.6-167.90000110.6
410K38.7Very low42.1Very low151 Ų151140.9 Ų140.966%0.65769%0.69SS**SBendtrans-156.3-46.4153.6-127.4179179-169.10115.1L412K410-L412 PolarHBondContact O-N 3.24Å
411E49Very low42.2Very low153 Ų153135.5 Ų135.572%0.71567%0.674SS**THydrogen-bonded Turntrans-85.652.1-171.9-15958.7-137.100113.8
412L37.7Very low42.7Very low132 Ų132134.1 Ų134.169%0.69167%0.665SS**THydrogen-bonded Turntrans-161.2-29.9150.6-113.6179.9000113.6K410 E414 Q415K410-L412 PolarHBondContact O-N 3.24Å; L412-E414 VanDerWaalsContact C-N 3.29Å; L412-E414 PolarHBondContact O-N 3.36Å; L412-Q415 HydrophobicContact CD2-CB 4.1Å; L412-Q415 HydrophobicContact CD2-CG 4.22Å; L412-Q415 WeakPolarHBondContact O-CB 3.37Å; L412-Q415 PolarHBondContact O-N 3.06Å; L412-Q415 VanDerWaalsContact O-N 3.11Å
413E38Very low43Very low175 Ų175134 Ų13482%0.81867%0.665SS**G310 helixtrans-72.2-22.4174.8-70-162.9133.700112.8L416E413-L416 PolarHBondContact O-N 3.49Å
414E41.9Very low43.3Very low113 Ų113132.5 Ų132.553%0.52866%0.657SS.*G310 helixtrans-95.414.7167.9-140.6166.1-172.500113.8L412 L416 E417L412-E414 VanDerWaalsContact C-N 3.29Å; L412-E414 PolarHBondContact O-N 3.36Å; E414-L416 PolarHBondContact O-N 3.04Å; E414-E417 HydrophobicContact CG-CB 3.89Å
415Q40.9Very low43.6Very low92 Ų92136.5 Ų136.543%0.4367%0.666SS.*G310 helixtrans-78.47.8151.9-71.9-132.9-8.800112.6L412 M418L412-Q415 HydrophobicContact CD2-CB 4.1Å; L412-Q415 HydrophobicContact CD2-CG 4.22Å; L412-Q415 WeakPolarHBondContact O-CB 3.37Å; L412-Q415 PolarHBondContact O-N 3.06Å; L412-Q415 VanDerWaalsContact O-N 3.11Å; Q415-M418 HydrophobicContact CB-CE 4.03Å; Q415-M418 HydrophobicContact CB-SD 4.39Å; Q415-M418 HydrophobicContact CG-CE 3.98Å; Q415-M418 HydrophobicContact CG-SD 4.05Å; Q415-M418 VanDerWaalsContact O-CB 3.23Å; Q415-M418 WeakPolarHBondContact O-CB 3.44Å
416L39.6Very low43.7Very low150 Ų150133.4 Ų133.479%0.78566%0.663SS**THydrogen-bonded Turntrans-133.84.7175.2-153.654.5000117.4E413 E414E413-L416 PolarHBondContact O-N 3.49Å; E414-L416 PolarHBondContact O-N 3.04Å
417E42.7Very low44.2Very low128 Ų128134.7 Ų134.760%0.59867%0.665SS**THydrogen-bonded Turntrans-74.6-45.4143-165.269.1-14300107.7E414 T419 L420E414-E417 HydrophobicContact CG-CB 3.89Å; E417-T419 PolarHBondContact O-N 3.38Å; E417-T419 VanDerWaalsContact O-N 3.07Å; E417-L420 PolarHBondContact O-N 3.33Å
418M55.7Low44.1Very low76 Ų76134.6 Ų134.637%0.37467%0.665SS.*THydrogen-bonded Turntrans65.3-114.9133.1-99.8-172.759.600114.3Q415 Q421Q415-M418 HydrophobicContact CB-CE 4.03Å; Q415-M418 HydrophobicContact CB-SD 4.39Å; Q415-M418 HydrophobicContact CG-CE 3.98Å; Q415-M418 HydrophobicContact CG-SD 4.05Å; Q415-M418 VanDerWaalsContact O-CB 3.23Å; Q415-M418 WeakPolarHBondContact O-CB 3.44Å; M418-Q421 WeakPolarHBondContact O-CB 3.49Å; M418-Q421 WeakPolarHBondContact O-CG 3.39Å; M418-Q421 PolarHBondContact O-NE2 2.98Å
419T42.1Very low44.5Very low92 Ų92132.8 Ų132.856%0.56466%0.663SS**THydrogen-bonded Turntrans-113.919.4-173.246.80000114E417E417-T419 PolarHBondContact O-N 3.38Å; E417-T419 VanDerWaalsContact O-N 3.07Å
420L47.2Very low44.3Very low156 Ų156133 Ų13382%0.81766%0.66SS**SBendtrans-135.342.7170.3-65.1171.1000113.3E417E417-L420 PolarHBondContact O-N 3.33Å
421Q52.6Low44.8Very low90 Ų90133.7 Ų133.742%0.42166%0.662SS.*  cis48.5151.739.7-146.4-160.366.600114.8M418 L423M418-Q421 WeakPolarHBondContact O-CB 3.49Å; M418-Q421 WeakPolarHBondContact O-CG 3.39Å; M418-Q421 PolarHBondContact O-NE2 2.98Å; Q421-L423 PolarHBondContact O-N 3.11Å; Q421-L423 VanDerWaalsContact O-N 3.1Å
422K45.4Very low44.9Very low159 Ų159131.3 Ų131.369%0.69166%0.659SS**  trans60.515.7171.5-66.5173.9177.6166.50115.9
423L36.6Very low45.3Very low150 Ų150132 Ų13279%0.78566%0.663SS**SBendtrans-155.7111176.7-156.871.9000109.8Q421Q421-L423 PolarHBondContact O-N 3.11Å; Q421-L423 VanDerWaalsContact O-N 3.1Å
424N46.3Very low45.2Very low112 Ų112131.9 Ų131.960%0.59966%0.663SS**  cis-164.581.7-3.1-16613000108.8S426N424-S426 PolarHBondContact O-N 3.25Å; N424-S426 WeakPolarHBondContact OD1-CB 3.47Å
425E53.7Low45.3Very low174 Ų174131.5 Ų131.581%0.81366%0.664SS**  46.49.983.5-60.4-171.4121.700115.9
426S41.5Very low44.8Very low80 Ų80134.3 Ų134.356%0.55969%0.687SS**  trans-146.438.1-171-176.40000114.6N424N424-S426 PolarHBondContact O-N 3.25Å; N424-S426 WeakPolarHBondContact OD1-CB 3.47Å
427K49Very low44.7Very low210 Ų210132.8 Ų132.891%0.91368%0.678SS**SBendtrans-15420.3159-118.7155-170172.30116.5
428E42.7Very low44.2Very low162 Ų162133 Ų13376%0.75768%0.684SS**  trans-49.1152143.3-109.9-75.173.200111.1
429V49.4Very low43.6Very low104 Ų104138.5 Ų138.563%0.6370%0.7SS**  trans60.1134.5152.4159.60000120.2
430L40.3Very low43.2Very low135 Ų135140.4 Ų140.471%0.70771%0.707SS**  trans81.7115.4179.7-52.5-179.6000115.3
431K49.5Very low42.5Very low164 Ų164138.2 Ų138.271%0.71370%0.695SS**  cis-145.1153.812.4-84.6119.8178.8-176.60108.9
432T49.6Very low41.8Very low104 Ų104142.9 Ų142.964%0.63871%0.714SS**  cis54.598.49.736.90000117.1
433N46.3Very low41Very low146 Ų146144.2 Ų144.278%0.78172%0.723SS**  trans108.374.4155.6-50.4-17.1000118.1
434E36.3Very low40.6Very low173 Ų173145.5 Ų145.581%0.80873%0.73SS**  trans-152106.7160.1-111.7150.8168.300110.8
435N43.1Very low40Very low104 Ų104146 Ų14656%0.55673%0.733SS**  86.1116.482.7-69.7-14.1000111.6I437N435-I437 VanDerWaalsContact C-N 3.28Å; N435-I437 HydrophobicContact CB-CB 4.45Å; N435-I437 HydrophobicContact CB-CG1 4.4Å
436V32Very low39.1Very low151 Ų151144.8 Ų144.892%0.91573%0.727SS**  cis73.8-2.329.5-164.50000114.3
437I37Very low38.8Very low118 Ų118147 Ų14761%0.60574%0.736SS**  trans-142.6120.7176.6-57176.5000105.5N435N435-I437 VanDerWaalsContact C-N 3.28Å; N435-I437 HydrophobicContact CB-CB 4.45Å; N435-I437 HydrophobicContact CB-CG1 4.4Å
438N31.9Very low38Very low132 Ų132145.3 Ų145.371%0.70673%0.732SS**  cis-123143.419.5-66.3-80.3000109.9
439W43.8Very low37.4Very low192 Ų192145.2 Ų145.273%0.72774%0.736SS**  61.214266.7-16769000114.6N441W439-N441 WeakPolarHBondContact CZ2-ND2 3.38Å
440L32.5Very low36.7Very low133 Ų133145 Ų14570%0.69674%0.739SS**  trans110.9130.3173.2-62.8165.8000116.7
441N33.4Very low36.1Very low109 Ų109148 Ų14858%0.58375%0.747SS**  cis-155.5157.5-32.9-138.9-11.6000114.5W439W439-N441 WeakPolarHBondContact CZ2-ND2 3.38Å
442K37Very low34.8Very low188 Ų188148.8 Ų148.882%0.81775%0.75SS**  trans-13.8136.6159.3-163.6174.3-174.8178.90118.9
443Q30Very low33.7Very low187 Ų187147.8 Ų147.887%0.87475%0.747SS**  trans-56.2151172.3-69.3-132-35.200115.6
444L28Very low32.6Very low177 Ų177148.2 Ų148.293%0.92775%0.749SS**  trans-148.2170.5152.5-164.351.9000110.6
445N33Very low32.7Very low124 Ų124145.2 Ų145.266%0.66374%0.744SS**  trans-111.5178-154.8-15419.1000114.8
446E35.2Very low31.8Very low148 Ų148144.5 Ų144.569%0.69275%0.752SS**  trans77.8115.9150.6-81.9153-111.400122.6
447V35.1Very low31.3Very low125 Ų125146 Ų14676%0.75875%0.75SS**  50.3114.8120.2-178.80000119
448Q31.5Very low31.5Very low176 Ų176145 Ų14582%0.82275%0.75SS**  -175.3-149.493.6-143.2162.554.800113.7
449L31.4Very low31.2Very low160 Ų160145.7 Ų145.784%0.83875%0.754SS**  trans-79.6174.6-157.3-79.3158.3000116.9
450S34.3Very low30.3Very low99 Ų99143.1 Ų143.169%0.69275%0.754SS**  trans-84155.7-172.357.30000116.4
451K26.4Very low30.3Very low199 Ų199142.6 Ų142.687%0.86576%0.757SS**  176.3143.7119.6-103.2171.8179.3171.40118.5
452K23.4Very low30.2Very low179 Ų179143.1 Ų143.178%0.77877%0.769SS**  74.788.7129.3-162.3173.1-179.4-1740123.7
453S26.9Very low30.4Very low84 Ų84140 Ų14059%0.58777%0.768SS**  64.4151.5113.586.50000126.2
454L23.6Very low30.2Very low155 Ų155134.6 Ų134.681%0.81276%0.762SS**  trans79.4157.7153.2-67.4167.7000118.4
455P37.5Very low30.2Very low109 Ų109134.1 Ų134.171%0.70876%0.76SS**  cis-138.9164.5-25.135.9-17.3000117.6
456A23.9Very low29.8Very low89 Ų89132.7 Ų132.774%0.73676%0.759SS**  trans46.4117.7138.300000125.1
457E21.8Very low29.4Very low183 Ų183131.4 Ų131.486%0.85576%0.762SS**  54.2171115.3-97-179.4-143.300123.6
458P40.7Very low28.9Very low96 Ų96132.6 Ų132.662%0.62376%0.763SS**  cis-139.6176.2-15.733-11.2000117.9
459L25.2Very low28.7Very low148 Ų148130.3 Ų130.378%0.77576%0.761SS**  trans66.3117.7142.9-76163000126
460D26.5Very low28.5Very low138 Ų138126.2 Ų126.274%0.73876%0.758SS**  68135.4124.1-80.9-1.7000128.9
461T31.5Very low28.1Very low122 Ų122129.6 Ų129.675%0.74877%0.767SS**  trans65.3103.7146.3500000125.2
462S31.6Very low28.1Very low119 Ų119131.3 Ų131.383%0.83277%0.769SS**  trans57.7159.9137.4-920000122.4
463P40.8Very low28.2Very low123 Ų123128.8 Ų128.880%0.79977%0.768SS**  cis-133170.8-1940.3-24.8000115.1
464G26.1Very low28.2Very low74 Ų74133.3 Ų133.376%0.76378%0.78SS**  trans104.1175.7145.100000121.4
465L28Very low28.8Very low167 Ų167134.3 Ų134.387%0.87478%0.778SS**  trans70.2115.7170-97.677.4000123.2
466S24.9Very low29Very low93 Ų93136.6 Ų136.665%0.6578%0.779SS**  76.5134.6121.8-64.80000125.9
467T26.1Very low30.6Very low122 Ų122137.2 Ų137.275%0.74878%0.775SS**  trans66.3108.1144.543.50000123
468L24.3Very low31.3Very low150 Ų150136.7 Ų136.779%0.78577%0.773SS**  59123125.1-66.4171.5000122.4
469T27.8Very low32.4Very low127 Ų127137.9 Ų137.978%0.77978%0.78SS**  trans61.2107.2142.255.90000121.3
470G26.5Very low32.8Very low75 Ų75134 Ų13477%0.77378%0.776SS**  trans73.7144.7138.800000118.6
471L26.2Very low33.5Very low169 Ų169137.2 Ų137.289%0.88578%0.783SS**  cis-159.7147.3-0.9-122.9170.4000110.3
472R26.8Very low34.6Very low236 Ų236137.5 Ų137.589%0.89179%0.787SS**  trans69.593.7156.2-148.8171.2-162.9157.54.4118.8
473V26.7Very low34.7Very low126 Ų126135.8 Ų135.876%0.76478%0.78SS**  trans-122.6155.3164.7179.20000105
474Q25.4Very low34.3Very low179 Ų179135.9 Ų135.984%0.83678%0.779SS**  cis-153.3-179.929.1-150.2148.612.500112.4
475F35.6Very low34.6Very low175 Ų175139 Ų13977%0.76878%0.777SS**  trans-149129.9176.9-137.3-105.1000111.2
476H43.7Very low35Very low158 Ų158135.5 Ų135.573%0.73177%0.766SS**  trans63-175.3157.5-81.564.2000117.3
477P57.2Low35.1Very low102 Ų102138.3 Ų138.366%0.66277%0.774SS**  -142.6178.2-58.943.2-27.9000117.2
478Q36.3Very low35.4Very low172 Ų172136 Ų13680%0.80477%0.767SS**  trans72.2-155.9146.5-68.6-9519.900118.5
479P62.7Low36.1Very low120 Ų120135.3 Ų135.378%0.77977%0.77SS**  -143.6-153.2-114.946.4-22.9000116.5
480G35.1Very low36.9Very low66 Ų66134.6 Ų134.668%0.6877%0.767SS**  trans175.6154.9163.400000112.2
481K40.5Very low37.2Very low207 Ų207135.4 Ų135.490%0.977%0.766SS**  cis69.4151.8-3.9-66.3-171.3177.7-175.70118
482P54.1Low37.4Very low128 Ų128134.2 Ų134.283%0.83176%0.761SS**  cis-104.9-149.811.435-17.6000113
483A33.9Very low37.7Very low83 Ų83131.2 Ų131.269%0.68676%0.757SS**  cis-153.4166.62.700000109.8
484V33Very low37.8Very low125 Ų125136.4 Ų136.476%0.75876%0.763SS**  cis85130.612.5-176.40000114.3
485L30.9Very low38Very low139 Ų139133.2 Ų133.273%0.72876%0.755SS**  cis-115.4172.73.9-63.686000111.8
486S37.6Very low37.6Very low94 Ų94132.7 Ų132.766%0.65776%0.755SS**  cis86.298.2-8.680.60000123.4
487D26.3Very low36.8Very low152 Ų152131.7 Ų131.781%0.81375%0.754SS**  trans-171.5170.7162.8-91.2-38.2000110.9
488A33.3Very low35.3Very low72 Ų72132.5 Ų132.560%0.59576%0.758SS**  cis-174.2112.5-36.400000114.6
489T37.9Very low34.8Very low137 Ų137131.4 Ų131.484%0.8476%0.756SS**  47.2174.5128.9480000122.9
490P46.2Very low33.1Very low112 Ų112132.7 Ų132.773%0.72776%0.757SS**  cis-140.2164.810.144.5-25.9000120.6
491A32Very low32.8Very low92 Ų92140 Ų14076%0.7676%0.764SS**  trans50.7161.5133.600000123
492D31.3Very low32.4Very low144 Ų144138.3 Ų138.377%0.7776%0.759SS**  cis-151.7-176.74-143.3-37.8000113.1
493H32.7Very low31.2Very low172 Ų172141.2 Ų141.280%0.79676%0.759SS**  trans-111.9155.9-167.3-52.2-92.4000116.7
494R29Very low31Very low236 Ų236139.9 Ų139.989%0.89175%0.753SS**  178.1121.8125.2-104.3179.9148.9156.4-5.3119
495V28.6Very low30.9Very low111 Ų111141.8 Ų141.867%0.67376%0.759SS**  55.9112.6117.4178.10000123.6
496Q26.3Very low31Very low164 Ų164140.2 Ų140.277%0.76676%0.76SS**  trans69.1132.3137.2-79.9-175.9-50.900127.3
497L27.2Very low31Very low137 Ų137140.8 Ų140.872%0.71777%0.77SS**  trans95.7137.7131.3-79.4167.2000124.7
498T26.3Very low31.3Very low120 Ų120137.3 Ų137.374%0.73677%0.77SS**  trans86.7128.5147.128.30000125.7
499L26.2Very low31.5Very low148 Ų148142 Ų14278%0.77578%0.784SS**  trans84.1129.9141-113.975.5000125.4
500N26.7Very low31.5Very low148 Ų148141.9 Ų141.979%0.79178%0.779SS**  trans20.3139143.1-71.8-11000122.7
501R28.1Very low31.7Very low219 Ų219141.6 Ų141.683%0.82678%0.776SS**  -177.5168.488.8-162.9164.7-178.6-136.8-0.7113.3
502Q32Very low31.8Very low172 Ų172145.6 Ų145.680%0.80478%0.777SS**  trans-89.8157.1175.9-54.1156.2-60.500113.7
503F29.5Very low32.5Very low189 Ų189149.2 Ų149.283%0.82978%0.781SS**  trans166.8160.4146-93.7-68.3000107.1
504G29.7Very low32.7Very low55 Ų55151.4 Ų151.457%0.56779%0.789SS**  cis168.5156.3-4.700000110.4
505D30.5Very low32.9Very low165 Ų165145.6 Ų145.688%0.88278%0.784SS**  trans64.2161.9163.6-56.5-24.1000120.3
506S34.4Very low33.2Very low106 Ų106145.7 Ų145.774%0.74179%0.79SS**  cis-168.4175.2-35.165.30000112.7
507A37.1Very low33.6Very low106 Ų106148.3 Ų148.388%0.87679%0.793SS**  trans79.3142.2156.700000122.7
508G31.6Very low33.8Very low78 Ų78148.1 Ų148.180%0.80479%0.788SS**  trans160120.1168.600000115.8
509L38.8Very low34.3Very low172 Ų172150.2 Ų150.290%0.90180%0.795SS**  trans-84.6175.8-179.3-57.8159.9000111.9
510D37.7Very low34.5Very low134 Ų134146.9 Ų146.972%0.71780%0.796SS**  cis-159.5159.912.4-156.443.6000110.6
511P48.9Very low35.1Very low105 Ų105147.4 Ų147.468%0.68280%0.797SS**  trans-103.1158.5-174.438.5-32.1000115.4
512K35.8Very low35.6Very low177 Ų177143 Ų14377%0.7780%0.797SS**  trans-141.2156.8166.6-69.1-170.9179.1177.80112.7
513Y44.4Very low35.6Very low219 Ų219139 Ų13986%0.85979%0.794SS**  trans76.778.1174.1-51.2-71.5000117.1
514F37.3Very low35.8Very low219 Ų219141.2 Ų141.296%0.96180%0.798SS**  trans-117.3118.3158.9-107.5-76.6000109.7
515S33.9Very low35.8Very low114 Ų114144 Ų14480%0.79781%0.809SS**  trans177.2146.215849.50000110.4
516S33.6Very low36Very low113 Ų113144 Ų14479%0.7981%0.808SS**  cis-155.4132.8-21.6-85.40000110.5
517R35.4Very low35.8Very low219 Ų219144.2 Ų144.283%0.82681%0.81SS**  trans31.4151.2139.6-105.3172.6166.9-131.34.6124.6
518E32.4Very low35.6Very low132 Ų132144.7 Ų144.762%0.61781%0.807SS**  trans86.597146-77.9162-133.400121.4
519D35.3Very low35.7Very low165 Ų165148.6 Ų148.688%0.88281%0.809SS**  42.2127.2120.8-57.9-35.5000122.4
520G31.7Very low35.4Very low77 Ų77147.6 Ų147.679%0.79480%0.803SS**  trans-167.9114.2163.700000112.7
521I38.3Very low35.2Very low160 Ų160147.5 Ų147.582%0.82180%0.801SS**  trans-103.1136.4-178.3-54.7168.3000109.5
522P39.7Very low34.3Very low125 Ų125151.2 Ų151.281%0.81281%0.809SS**  -126.71411180.620.4000112.2
523A31.5Very low34.2Very low90 Ų90154.4 Ų154.474%0.74482%0.817SS**PPolyproline II helixtrans-82141.4175.900000111.9
524Y33.8Very low33.6Very low234 Ų234152.6 Ų152.692%0.91882%0.816SS**PPolyproline II helixtrans-90.7135.2156.7-92.7-89.4000109.6
525S30.6Very low33.3Very low114 Ų114150.4 Ų150.480%0.79781%0.813SS**PPolyproline II helixtrans-80.1147.2-178.2430000112.8
526L33.9Very low33.2Very low164 Ų164149.6 Ų149.686%0.85981%0.814SS**  trans-125.4169165.7-78.2177.1000109.7
527S29.9Very low33.2Very low111 Ų111152.3 Ų152.378%0.77682%0.819SS**  trans68135.1-16874.40000113.5
528S32.3Very low33.1Very low117 Ų117151.7 Ų151.782%0.81882%0.822SS**  cis126.8129.84.4-81.50000108.2
529N34.7Very low33.3Very low159 Ų159151.7 Ų151.785%0.8583%0.831SS**  trans-60.4145.6-177.5-55.6-73.4000112.8
530I32.2Very low33.2Very low151 Ų151153.2 Ų153.277%0.77483%0.83SS**  trans-160.8121.1139.4-110.3156.6000112.6
531I32.9Very low33.4Very low132 Ų132155.3 Ų155.368%0.67783%0.829SS**  trans64.3114.5142.7-62.1174.8000120.8
532Q31.6Very low33.4Very low183 Ų183153.4 Ų153.486%0.85583%0.83SS**  trans42.1128.5136.9-57.1170.2-24.800121.1
533R32.4Very low33.1Very low244 Ų244150.9 Ų150.992%0.92183%0.827SS**  trans-147149.8134.5-120.2172.3-171.3150.15.8111.9
534E31.5Very low33.5Very low182 Ų182153.6 Ų153.685%0.8583%0.834SS**  trans-73.9148.7-175.4-59.3149.2106.300112.2
535L31.6Very low33.6Very low172 Ų172147.9 Ų147.990%0.90183%0.828SS**  trans-121.986.7162.8-88.6168.2000109.5L537L535-L537 PolarHBondContact O-N 3.12Å; L535-L537 VanDerWaalsContact O-N 3.07Å
536A31.6Very low34.3Very low97 Ų97146.5 Ų146.580%0.80282%0.824SS**  trans-68.3101.3173.400000110.4K538A536-K538 PolarHBondContact O-N 3.18Å
537L34.7Very low34.9Very low171 Ų171148.8 Ų148.890%0.89582%0.823SS**  trans-67.1100.5173.1-83.5168.1000110.2L535 T539L535-L537 PolarHBondContact O-N 3.12Å; L535-L537 VanDerWaalsContact O-N 3.07Å; L537-T539 PolarHBondContact O-N 3.25Å; L537-T539 VanDerWaalsContact O-N 3.08Å
538K32.8Very low35.1Very low205 Ų205153.4 Ų153.489%0.89183%0.829SS**  trans-68.5101.7-177.9-136.3174.9-171.8175.50110.3A536 K540A536-K538 PolarHBondContact O-N 3.18Å; K538-K540 PolarHBondContact O-N 3.22Å
539T35.9Very low35.7Very low133 Ų133152.9 Ų152.982%0.81683%0.826SS**PPolyproline II helixtrans-62.7121.5168.839.80000109.7L537L537-T539 PolarHBondContact O-N 3.25Å; L537-T539 VanDerWaalsContact O-N 3.08Å
540K33.7Very low36.1Very low197 Ų197155 Ų15586%0.85785%0.853SS**PPolyproline II helixtrans-84128.6165.4-78.2-174.3176.3-178.80108.4K538 S542K538-K540 PolarHBondContact O-N 3.22Å; K540-S542 PolarHBondContact O-N 3.3Å
541P36.2Very low36.3Very low121 Ų121155.2 Ų155.279%0.78686%0.857SS**PPolyproline II helixtrans-69.9129.416829.4-32.6000109.6G543P541-G543 PolarHBondContact O-N 3.03Å
542S38Very low36.4Very low120 Ų120156.4 Ų156.484%0.83987%0.866SS**PPolyproline II helixtrans-69.5117.6164.252.40000108.8K540K540-S542 PolarHBondContact O-N 3.3Å
543G34.3Very low36.7Very low71 Ų71154.9 Ų154.973%0.73287%0.867SS**PPolyproline II helixtrans-65.9147.5-17400000113.7P541 S545P541-G543 PolarHBondContact O-N 3.03Å; G543-S545 PolarHBondContact O-N 3.13Å
544T39.1Very low37Very low147 Ų147149.7 Ų149.790%0.90286%0.864SS**PPolyproline II helixtrans-60.5123.6170.7-9.40000110.3
545S36.4Very low37.3Very low114 Ų114147.7 Ų147.780%0.79787%0.865SS**  trans-110.197.5166.4-170.80000108.8G543G543-S545 PolarHBondContact O-N 3.13Å
546A45Very low37.7Very low86 Ų86146.1 Ų146.171%0.71186%0.862SS**  trans-97.392.4-179.400000110.3
547Y45.6Very low38.1Very low212 Ų212149.6 Ų149.683%0.83187%0.867SS**  trans-148.4100.1164.4-91.2-75.4000109.9
548F35.9Very low38.4Very low207 Ų207147.9 Ų147.991%0.90886%0.864SS**  -166.7151.9114.6-108.9-76.9000109
549S43.9Very low38.9Very low107 Ų107143.2 Ų143.275%0.74886%0.862SS**  trans-134.4156.1177.7-580000109.4
550S42.4Very low39.1Very low203 Ų203144.1 Ų144.1100%1.4287%0.866SS**  trans76.10-170.9-38.70000113.2

Retrieved 550 of 550 residues in 1929.7 ms (Link to these results)

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