A0A077ZJS7_TRITR Loading...

Arginine biosynthesis bifunctional protein ArgJ, mitochondrial

Catalyzes two activities which are involved in the cyclic version of arginine biosynthesis: the synthesis of acetylglutamate from glutamate and acetyl-CoA, and of ornithine by transacetylation between acetylornithine and glutamate.

AlphaFold DB , UniProt , Accession A0A077ZJS7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 397 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M94.9Very high98.1Very high93 Ų9360.8 Ų60.846%0.45834%0.337SS..  0137.70-160.7-178.3-58.400111.4I157 T158 E159 A252 M253 L256M1-I157 HydrophobicContact CG-CD1 4.47Å; M1-I157 HydrophobicContact SD-CD1 4.11Å; M1-T158 CarbonylContact C-O 3.56Å; M1-T158 VanDerWaalsContact CA-O 3.28Å; M1-T158 WeakPolarHBondContact CA-O 3.36Å; M1-E159 WeakPolarHBondContact CA-OE1 3.09Å; M1-E159 WeakPolarHBondContact CB-OE1 3.15Å; M1-E159 VanDerWaalsContact CE-OE2 3.24Å; M1-E159 WeakPolarHBondContact CE-OE2 3.33Å; M1-E159 PolarHBondContact N-OE1 2.65Å; M1-A252 VanDerWaalsContact CE-C 3.43Å; M1-A252 HydrophobicContact CE-CB 3.59Å; M1-M253 HydrophobicContact CE-CB 4.32Å; M1-M253 HydrophobicContact CE-CG 3.8Å; M1-M253 VanDerWaalsContact CE-N 3.3Å; M1-M253 HydrophobicContact CG-CG 4.43Å; M1-M253 HydrophobicContact SD-CG 4.35Å; M1-L256 HydrophobicContact SD-CB 4.2Å; M1-L256 HydrophobicContact SD-CD2 3.47Å; M1-L256 WeakPolarHBondContact SD-CD2 3.43Å; M1-L256 HydrophobicContact SD-CG 4.48Å
2Q97.9Very high98.2Very high125 Ų12563.9 Ų63.958%0.58435%0.345SS*.EExtended strand (participates in β ladder)trans-135.7136.4178179.2176.8-2.900109.9I4 I157 T158Q2-I4 HydrophobicContact CG-CG2 3.98Å; Q2-I157 CarbonylContact O-C 3.57Å; Q2-I157 WeakPolarHBondContact O-CA 3.36Å; Q2-T158 PolarHBondContact N-O 3.47Å; Q2-T158 PolarHBondContact O-N 2.98Å
3I98.6Very high98.2Very high106 Ų10660.3 Ų60.354%0.54433%0.332SS..EExtended strand (participates in β ladder)trans-84132.8167.4-59.9169.7000107.7I155 V156 I157 L256I3-I155 HydrophobicContact CD1-CD1 4.4Å; I3-I155 HydrophobicContact CG1-CD1 4.41Å; I3-I155 HydrophobicContact CG2-CG1 4.44Å; I3-V156 WeakPolarHBondContact CA-O 3.33Å; I3-I157 HydrophobicContact CB-CG2 4.46Å; I3-I157 HydrophobicContact CG1-CG2 3.84Å; I3-L256 HydrophobicContact CD1-CD2 4.41Å; I3-L256 HydrophobicContact CG1-CD2 4.28Å
4I98.4Very high98.2Very high57 Ų5756.6 Ų56.629%0.29231%0.311SS..EExtended strand (participates in β ladder)trans-126.7158.217864.1166000110.5Q2 V156 T158Q2-I4 HydrophobicContact CG-CG2 3.98Å; I4-V156 HydrophobicContact CD1-CG1 3.85Å; I4-V156 HydrophobicContact CG1-CB 3.93Å; I4-V156 HydrophobicContact CG1-CG1 3.65Å; I4-V156 PolarHBondContact N-O 2.7Å; I4-T158 HydrophobicContact CD1-CG2 3.55Å; I4-T158 HydrophobicContact CG1-CG2 4.13Å
5D97.9Very high98.3Very high169 Ų16958.2 Ų58.290%0.90431%0.311SS*.SBendtrans-69.6137.9167-64.2-35.3000109.4
6G98.3Very high98.3Very high30 Ų3054.6 Ų54.631%0.30929%0.291SS..  trans173.8-168.6-176.900000112.9S10 V156G6-S10 VanDerWaalsContact CA-OG 3.29Å; G6-S10 WeakPolarHBondContact CA-OG 3.48Å; G6-V156 VanDerWaalsContact C-CG2 3.44Å
7T98.7Very high98.3Very high28 Ų2852.1 Ų52.117%0.17228%0.279CS..  trans-135.4-178.2-177.969.90000111.2A9 S10 P138 V156 A169T7-A9 PolarHBondContact O-N 2.92Å; T7-A9 VanDerWaalsContact O-N 3.11Å; T7-A9 PolarHBondContact OG1-N 2.94Å; T7-S10 PolarHBondContact N-OG 3.2Å; T7-S10 VanDerWaalsContact O-CB 3.3Å; T7-S10 WeakPolarHBondContact O-CB 3.11Å; T7-S10 PolarHBondContact O-N 3.43Å; T7-S10 PolarHBondContact O-OG 2.97Å; T7-P138 HydrophobicContact CG2-CB 3.99Å; T7-P138 WeakPolarHBondContact OG1-CB 3.39Å; T7-V156 WeakPolarHBondContact O-CG2 3.46Å; T7-A169 WeakPolarHBondContact O-CB 2.95Å
8I98.7Very high98.3Very high0 Ų049.4 Ų49.40%027%0.266CS..THydrogen-bonded Turntrans-63.9-15.4175.3-165.558000112.5A16 I33 F141 H142 A169 V171 F188 T190I8-A16 HydrophobicContact CG2-CB 3.59Å; I8-I33 HydrophobicContact CG1-CD1 3.78Å; I8-I33 HydrophobicContact CG1-CG1 4.35Å; I8-I33 HydrophobicContact CG2-CG1 4.31Å; I8-F141 HydrophobicContact CG2-CD1 3.84Å; I8-F141 HydrophobicContact CG2-CG 4.39Å; I8-H142 PolarHBondContact N-NE2 2.77Å; I8-H142 VanDerWaalsContact N-NE2 3.15Å; I8-A169 HydrophobicContact CD1-CB 4.35Å; I8-V171 HydrophobicContact CB-CB 4.3Å; I8-V171 HydrophobicContact CB-CG1 3.88Å; I8-V171 HydrophobicContact CD1-CB 4.37Å; I8-V171 HydrophobicContact CD1-CG1 3.83Å; I8-V171 HydrophobicContact CG1-CB 4.48Å; I8-V171 HydrophobicContact CG1-CG1 3.69Å; I8-V171 HydrophobicContact CG2-CG1 4.45Å; I8-F188 HydrophobicContact CD1-CB 4.47Å; I8-F188 WeakPolarHBondContact CD1-O 3.45Å; I8-T190 HydrophobicContact CD1-CG2 3.92Å; I8-T190 HydrophobicContact CG1-CG2 3.97Å; I8-T190 PolarHBondContact O-OG1 3.18Å
9A98.6Very high98.2Very high16 Ų1648.6 Ų48.613%0.13226%0.261CS..THydrogen-bonded Turntrans-100.511.5176.200000113.2T7 F14 A16 P138T7-A9 PolarHBondContact O-N 2.92Å; T7-A9 VanDerWaalsContact O-N 3.11Å; T7-A9 PolarHBondContact OG1-N 2.94Å; A9-F14 HydrophobicContact CB-CB 4.45Å; A9-A16 HydrophobicContact CB-CB 4Å; A9-P138 HydrophobicContact CB-CB 3.73Å; A9-P138 HydrophobicContact CB-CG 3.79Å
10S98.8Very high98.2Very high44 Ų4450.6 Ų50.631%0.30827%0.268SS..  trans-66.5-34.5178.2-75.40000115.3G6 T7G6-S10 VanDerWaalsContact CA-OG 3.29Å; G6-S10 WeakPolarHBondContact CA-OG 3.48Å; T7-S10 PolarHBondContact N-OG 3.2Å; T7-S10 VanDerWaalsContact O-CB 3.3Å; T7-S10 WeakPolarHBondContact O-CB 3.11Å; T7-S10 PolarHBondContact O-N 3.43Å; T7-S10 PolarHBondContact O-OG 2.97Å
11P98.8Very high98.2Very high1 Ų149.3 Ų49.31%0.00627%0.265CS..SBendtrans-65146.8173.5-15.829.1000111.5G13 F14 T167 A169 T190 D192P11-G13 PolarHBondContact O-N 3.5Å; P11-F14 HydrophobicContact CB-CD2 3.85Å; P11-F14 HydrophobicContact CB-CE2 4.28Å; P11-F14 HydrophobicContact CG-CD2 4.45Å; P11-F14 PolarHBondContact O-N 2.73Å; P11-T167 HydrophobicContact CB-CG2 4.26Å; P11-T167 HydrophobicContact CG-CG2 4Å; P11-A169 HydrophobicContact CG-CB 4.01Å; P11-T190 WeakPolarHBondContact CG-O 3.38Å; P11-T190 WeakPolarHBondContact CG-OG1 3.31Å; P11-D192 HydrophobicContact CB-CB 3.88Å
12K98.7Very high98.3Very high98 Ų9846.4 Ų46.443%0.42626%0.259SS..THydrogen-bonded Turntrans-53.8137.2-174-67.9171.7-1781760112.4F14 D192 N232 L234K12-F14 PolarHBondContact O-N 3.1Å; K12-D192 HydrophobicContact CB-CB 4Å; K12-D192 WeakPolarHBondContact CG-OD2 3.39Å; K12-D192 PolarHBondContact N-OD2 3.28Å; K12-N232 PolarHBondContact O-ND2 3.18Å; K12-L234 HydrophobicContact CB-CB 3.94Å; K12-L234 WeakPolarHBondContact CD-O 3.23Å
13G98.5Very high98.3Very high17 Ų1741.7 Ų41.718%0.17524%0.237CC..THydrogen-bonded Turntrans64.61517800000115.3P11 S35 E36P11-G13 PolarHBondContact O-N 3.5Å; G13-S35 CarbonylContact O-C 3.59Å; G13-S35 WeakPolarHBondContact O-CA 3.25Å; G13-E36 PolarHBondContact O-N 3.45Å
14F98.7Very high98.2Very high9 Ų938.6 Ų38.64%0.03922%0.22CC..EExtended strand (participates in β ladder)trans-94.4145163.4-74.2-85.1000111.1A9 P11 K12 I33 Y34 S35 A39 T190 T191 L230 N232A9-F14 HydrophobicContact CB-CB 4.45Å; P11-F14 HydrophobicContact CB-CD2 3.85Å; P11-F14 HydrophobicContact CB-CE2 4.28Å; P11-F14 HydrophobicContact CG-CD2 4.45Å; P11-F14 PolarHBondContact O-N 2.73Å; K12-F14 PolarHBondContact O-N 3.1Å; F14-I33 HydrophobicContact CD1-CG2 4.17Å; F14-Y34 CarbonylContact C-O 3.51Å; F14-Y34 WeakPolarHBondContact CA-O 3.33Å; F14-S35 WeakPolarHBondContact CE1-OG 3.32Å; F14-A39 HydrophobicContact CZ-CB 4.46Å; F14-T190 HydrophobicContact CD1-CG2 3.67Å; F14-T190 HydrophobicContact CE1-CG2 3.69Å; F14-T190 HydrophobicContact CG-CG2 4.15Å; F14-T190 HydrophobicContact CZ-CG2 4.19Å; F14-T191 VanDerWaalsContact CE2-O 3.3Å; F14-T191 WeakPolarHBondContact CE2-O 2.98Å; F14-L230 HydrophobicContact CE1-CB 3.81Å; F14-L230 HydrophobicContact CE1-CD2 4.13Å; F14-L230 HydrophobicContact CZ-CB 3.9Å; F14-N232 WeakPolarHBondContact CD2-ND2 3.04Å; F14-N232 HydrophobicContact CE2-CB 3.84Å; F14-N232 WeakPolarHBondContact CE2-ND2 3.46Å; F14-N232 HydrophobicContact CZ-CB 3.81Å
15Y98.6Very high97.9Very high80 Ų8045.4 Ų45.431%0.31425%0.248SC..EExtended strand (participates in β ladder)trans-128.9147.8174.5-60-95.6000107.8I33 Y34 E36 P136Y15-I33 CarbonylContact O-C 3.32Å; Y15-I33 WeakPolarHBondContact O-CA 3.42Å; Y15-Y34 AromaticContact CD2-CD1 3.82Å; Y15-Y34 HydrophobicContact CD2-CD1 3.82Å; Y15-Y34 HydrophobicContact CD2-CE1 4.32Å; Y15-Y34 HydrophobicContact CG-CD1 4.37Å; Y15-Y34 PolarHBondContact N-O 2.98Å; Y15-Y34 PolarHBondContact O-N 3.18Å; Y15-E36 HydrophobicContact CE2-CB 4.32Å; Y15-P136 HydrophobicContact CD1-CB 4.39Å; Y15-P136 HydrophobicContact CD1-CG 4.08Å
16A98.6Very high97.6Very high0 Ų045.8 Ų45.80%024%0.244CC..EExtended strand (participates in β ladder)trans-147.7152.7171.800000110I8 A9 V32 I33 E137 P138 F141I8-A16 HydrophobicContact CG2-CB 3.59Å; A9-A16 HydrophobicContact CB-CB 4Å; A16-V32 CarbonylContact C-O 3.34Å; A16-V32 WeakPolarHBondContact CA-O 3.44Å; A16-I33 HydrophobicContact CB-CG1 4.39Å; A16-E137 CarbonylContact O-C 3.57Å; A16-E137 PolarHBondContact O-N 2.81Å; A16-P138 HydrophobicContact CB-CB 4.21Å; A16-P138 WeakPolarHBondContact O-CA 3.39Å; A16-F141 HydrophobicContact CB-CB 3.97Å; A16-F141 HydrophobicContact CB-CG 4.36Å
17T98.3Very high97.6Very high13 Ų1350.5 Ų50.58%0.0826%0.256CS..EExtended strand (participates in β ladder)trans-157167172.5-165.50000110.7G31 V32 I131 L133 E137T17-G31 CarbonylContact O-C 3.58Å; T17-G31 VanDerWaalsContact O-CA 3.28Å; T17-G31 WeakPolarHBondContact O-CA 3.42Å; T17-V32 PolarHBondContact N-O 3.09Å; T17-V32 PolarHBondContact O-N 3.31Å; T17-I131 HydrophobicContact CG2-CG2 3.69Å; T17-L133 HydrophobicContact CG2-CD2 4.38Å; T17-E137 WeakPolarHBondContact CA-O 3.32Å
18G97.6Very high97.6Very high4 Ų451.6 Ų51.64%0.04126%0.258CS..EExtended strand (participates in β ladder)trans-153.3151.5173.900000111.5L30 A140G18-L30 CarbonylContact C-O 3.48Å; G18-L30 VanDerWaalsContact CA-O 3.23Å; G18-L30 WeakPolarHBondContact CA-O 3.29Å; G18-A140 VanDerWaalsContact O-CB 3.29Å; G18-A140 WeakPolarHBondContact O-CB 3.49Å
19L97.7Very high97.6Very high34 Ų3451.6 Ų51.618%0.17826%0.258CS..EExtended strand (participates in β ladder)trans-144.9170.5-178.259.677.8000111.3A21 K28 D29 L30 G127 N130 I131L19-A21 HydrophobicContact CD1-CB 3.86Å; L19-K28 CarbonylContact O-C 3.59Å; L19-K28 WeakPolarHBondContact O-CA 3.21Å; L19-D29 PolarHBondContact O-N 3.43Å; L19-L30 HydrophobicContact CD1-CB 4.17Å; L19-L30 HydrophobicContact CD1-CD2 4.26Å; L19-L30 PolarHBondContact N-O 2.68Å; L19-L30 PolarHBondContact O-N 2.83Å; L19-L30 VanDerWaalsContact O-N 3.13Å; L19-G127 WeakPolarHBondContact CD2-O 3.08Å; L19-N130 HydrophobicContact CD2-CB 3.94Å; L19-I131 HydrophobicContact CD2-CG1 3.85Å
20H98.1Very high97.6Very high87 Ų8750.9 Ų50.940%0.40325%0.252SS..  trans-92.8103.1169.1176.559000108.7K24 K27 D29H20-K24 PolarHBondContact CE1-O 3.32Å; H20-K24 VanDerWaalsContact CE1-O 3.29Å; H20-K27 PolarHBondContact ND1-O 2.95Å; H20-D29 IonicContact CE1-OD2 2.67Å; H20-D29 IonicContact ND1-OD2 2.67Å; H20-D29 PolarHBondContact ND1-OD2 3.34Å
21A98.2Very high97.5Very high25 Ų2548.8 Ų48.821%0.20724%0.237CC..  trans-81.1-29.7175.300000111.3L19 D29 L30 I123L19-A21 HydrophobicContact CD1-CB 3.86Å; A21-D29 WeakPolarHBondContact CB-OD1 3.47Å; A21-D29 PolarHBondContact N-OD1 2.96Å; A21-L30 HydrophobicContact CB-CB 3.95Å; A21-L30 HydrophobicContact CB-CD2 4.15Å; A21-I123 HydrophobicContact CB-CG2 4.22Å; A21-I123 WeakPolarHBondContact O-CG2 3.16Å
22G97.6Very high97.5Very high31 Ų3148.8 Ų48.832%0.3224%0.237SC..SBendtrans11520.5-178.700000114.6D29G22-D29 PolarHBondContact N-OD2 2.96Å
23L97.4Very high97.6Very high26 Ų2644.1 Ų44.114%0.13622%0.217CC..SBendtrans-81.2-27.9173.2-52.5176.7000112D29 N73 I76 P120 I123 I124L23-D29 WeakPolarHBondContact CA-OD2 3.41Å; L23-D29 HydrophobicContact CB-CB 4.07Å; L23-D29 PolarHBondContact N-OD2 2.56Å; L23-N73 HydrophobicContact CD1-CB 3.66Å; L23-I76 HydrophobicContact CD2-CD1 4.49Å; L23-P120 HydrophobicContact CD2-CG 3.45Å; L23-P120 VanDerWaalsContact CD2-CG 3.45Å; L23-I123 HydrophobicContact CD2-CB 4.49Å; L23-I123 HydrophobicContact CD2-CG2 3.96Å; L23-I124 HydrophobicContact CD1-CD1 3.61Å; L23-I124 HydrophobicContact CD2-CD1 3.94Å; L23-I124 HydrophobicContact CD2-CG1 4.4Å; L23-I124 HydrophobicContact CG-CD1 4.27Å
24K96.1Very high97.6Very high42 Ų4245.1 Ų45.118%0.18322%0.216CC..SBendtrans-105.3178.8170.2-63.7179.1-165.41610109.9H20 K27 K28 D29 S74 L146H20-K24 PolarHBondContact CE1-O 3.32Å; H20-K24 VanDerWaalsContact CE1-O 3.29Å; K24-K27 HydrophobicContact CD-CB 4Å; K24-K28 PolarHBondContact NZ-O 3.13Å; K24-D29 HydrophobicContact CB-CB 4.24Å; K24-D29 HydrophobicContact CD-CB 3.83Å; K24-D29 HydrophobicContact CG-CB 3.77Å; K24-D29 PolarHBondContact N-OD2 3.29Å; K24-S74 WeakPolarHBondContact CE-OG 3.47Å; K24-S74 PolarHBondContact NZ-OG 3.46Å; K24-L146 WeakPolarHBondContact CE-O 3.33Å; K24-L146 PolarHBondContact NZ-O 3.14Å
25K92.4Very high97.6Very high199 Ų19944.7 Ų44.787%0.86521%0.214SC*.SBendtrans-75.8-45.3177.7-67.8-175.7179.9176.30113.5
26E91.9Very high97.5Very high177 Ų17746 Ų4683%0.82722%0.223SC*.SBendtrans-141.7-27.2-170.5-63.5178.817700113.9
27K97.1Very high97.5Very high129 Ų12948.2 Ų48.256%0.56124%0.236SC*.SBendtrans-82.2152.9-175.9-65.4-173.8178.2-175.20111.5H20 K24H20-K27 PolarHBondContact ND1-O 2.95Å; K24-K27 HydrophobicContact CD-CB 4Å
28K98.5Very high97.5Very high52 Ų5251.1 Ų51.123%0.22626%0.255CS..  trans-52.5141.5166.5-62.7-172174103.30110.3L19 K24 A140 E143 A144L19-K28 CarbonylContact O-C 3.59Å; L19-K28 WeakPolarHBondContact O-CA 3.21Å; K24-K28 PolarHBondContact NZ-O 3.13Å; K28-A140 HydrophobicContact CD-CB 3.75Å; K28-E143 HydrophobicContact CD-CB 4.25Å; K28-E143 IonicContact NZ-OE2 2.71Å; K28-E143 PolarHBondContact NZ-OE2 3.11Å; K28-A144 HydrophobicContact CB-CB 3.92Å
29D98.6Very high97.6Very high0 Ų050.9 Ų50.90%025%0.253CS..  trans-151.52-168.156.820.3000114.9L19 H20 A21 G22 L23 K24 N73 S74L19-D29 PolarHBondContact O-N 3.43Å; H20-D29 IonicContact CE1-OD2 2.67Å; H20-D29 IonicContact ND1-OD2 2.67Å; H20-D29 PolarHBondContact ND1-OD2 3.34Å; A21-D29 WeakPolarHBondContact CB-OD1 3.47Å; A21-D29 PolarHBondContact N-OD1 2.96Å; G22-D29 PolarHBondContact N-OD2 2.96Å; L23-D29 WeakPolarHBondContact CA-OD2 3.41Å; L23-D29 HydrophobicContact CB-CB 4.07Å; L23-D29 PolarHBondContact N-OD2 2.56Å; K24-D29 HydrophobicContact CB-CB 4.24Å; K24-D29 HydrophobicContact CD-CB 3.83Å; K24-D29 HydrophobicContact CG-CB 3.77Å; K24-D29 PolarHBondContact N-OD2 3.29Å; D29-N73 CarbonylContact O-C 3.53Å; D29-N73 VanDerWaalsContact O-CA 3.3Å; D29-N73 WeakPolarHBondContact O-CA 3.45Å; D29-S74 WeakPolarHBondContact CA-OG 3.33Å; D29-S74 PolarHBondContact O-N 3.42Å
30L98.8Very high97.7Very high0 Ų051.2 Ų51.20%026%0.255CS..EExtended strand (participates in β ladder)trans-136.9127.5171.3-174.671.7000109.1G18 L19 A21 V71 V72 N73 M92 I124 G127 I128 I131 A144G18-L30 CarbonylContact C-O 3.48Å; G18-L30 VanDerWaalsContact CA-O 3.23Å; G18-L30 WeakPolarHBondContact CA-O 3.29Å; L19-L30 HydrophobicContact CD1-CB 4.17Å; L19-L30 HydrophobicContact CD1-CD2 4.26Å; L19-L30 PolarHBondContact N-O 2.68Å; L19-L30 PolarHBondContact O-N 2.83Å; L19-L30 VanDerWaalsContact O-N 3.13Å; A21-L30 HydrophobicContact CB-CB 3.95Å; A21-L30 HydrophobicContact CB-CD2 4.15Å; L30-V71 HydrophobicContact CD1-CG2 4.16Å; L30-V72 CarbonylContact C-O 3.46Å; L30-V72 WeakPolarHBondContact CA-O 3.28Å; L30-N73 HydrophobicContact CD1-CB 4.12Å; L30-M92 HydrophobicContact CD1-CE 3.7Å; L30-I124 HydrophobicContact CD1-CD1 4.31Å; L30-G127 VanDerWaalsContact CD2-C 3.49Å; L30-I128 HydrophobicContact CD2-CG1 3.93Å; L30-I131 HydrophobicContact CD2-CD1 4.42Å; L30-A144 WeakPolarHBondContact O-CB 3.41Å
31G98.5Very high97.7Very high0 Ų047.1 Ų47.10%024%0.236CC..EExtended strand (participates in β ladder)trans-136.6151.2-179.800000112.4T17 V72T17-G31 CarbonylContact O-C 3.58Å; T17-G31 VanDerWaalsContact O-CA 3.28Å; T17-G31 WeakPolarHBondContact O-CA 3.42Å; G31-V72 PolarHBondContact N-O 3.02Å; G31-V72 PolarHBondContact O-N 2.93Å
32V98.8Very high97.7Very high1 Ų145.9 Ų45.91%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-128.5138.3174.3167.90000110.6A16 T17 V70 V71 L100 I131 F141A16-V32 CarbonylContact C-O 3.34Å; A16-V32 WeakPolarHBondContact CA-O 3.44Å; T17-V32 PolarHBondContact N-O 3.09Å; T17-V32 PolarHBondContact O-N 3.31Å; V32-V70 CarbonylContact C-O 2.84Å; V32-V70 VanDerWaalsContact CA-O 3.25Å; V32-V70 WeakPolarHBondContact CA-O 3.43Å; V32-V71 HydrophobicContact CG2-CB 4.1Å; V32-V71 HydrophobicContact CG2-CG2 3.77Å; V32-L100 HydrophobicContact CG1-CD1 4.13Å; V32-I131 HydrophobicContact CB-CD1 4.07Å; V32-I131 HydrophobicContact CG2-CD1 3.36Å; V32-F141 WeakPolarHBondContact O-CD2 2.93Å
33I98.8Very high97.7Very high0 Ų044.7 Ų44.70%021%0.214CC..EExtended strand (participates in β ladder)trans-105.4136.3157.7-59.4166.3000106.7I8 F14 Y15 A16 A69 V70 F141 F188 T190I8-I33 HydrophobicContact CG1-CD1 3.78Å; I8-I33 HydrophobicContact CG1-CG1 4.35Å; I8-I33 HydrophobicContact CG2-CG1 4.31Å; F14-I33 HydrophobicContact CD1-CG2 4.17Å; Y15-I33 CarbonylContact O-C 3.32Å; Y15-I33 WeakPolarHBondContact O-CA 3.42Å; A16-I33 HydrophobicContact CB-CG1 4.39Å; I33-A69 CarbonylContact O-C 3.57Å; I33-A69 WeakPolarHBondContact O-CA 3.27Å; I33-V70 HydrophobicContact CB-CB 4.22Å; I33-V70 HydrophobicContact CB-CG2 4.39Å; I33-V70 PolarHBondContact N-O 3.44Å; I33-V70 PolarHBondContact O-N 2.87Å; I33-F141 HydrophobicContact CD1-CD1 4.31Å; I33-F141 HydrophobicContact CD1-CE1 3.59Å; I33-F141 HydrophobicContact CD1-CE2 4.16Å; I33-F141 HydrophobicContact CD1-CZ 3.49Å; I33-F141 VanDerWaalsContact CD1-CZ 3.49Å; I33-F141 HydrophobicContact CG1-CD1 4.13Å; I33-F141 HydrophobicContact CG1-CD2 4.04Å; I33-F141 HydrophobicContact CG1-CE1 3.8Å; I33-F141 HydrophobicContact CG1-CE2 3.7Å; I33-F141 HydrophobicContact CG1-CG 4.25Å; I33-F141 HydrophobicContact CG1-CZ 3.56Å; I33-F188 HydrophobicContact CD1-CB 3.67Å; I33-F188 HydrophobicContact CD1-CD1 4.43Å; I33-F188 HydrophobicContact CD1-CD2 4.49Å; I33-F188 HydrophobicContact CD1-CG 3.95Å; I33-T190 HydrophobicContact CG2-CG2 4Å
34Y98.7Very high97.7Very high39 Ų3944 Ų4415%0.15321%0.21CC..EExtended strand (participates in β ladder)trans-133.5141.5177.6172.8-103.6000110.1F14 Y15 Q68 A69 L100 I102 L133F14-Y34 CarbonylContact C-O 3.51Å; F14-Y34 WeakPolarHBondContact CA-O 3.33Å; Y15-Y34 AromaticContact CD2-CD1 3.82Å; Y15-Y34 HydrophobicContact CD2-CD1 3.82Å; Y15-Y34 HydrophobicContact CD2-CE1 4.32Å; Y15-Y34 HydrophobicContact CG-CD1 4.37Å; Y15-Y34 PolarHBondContact N-O 2.98Å; Y15-Y34 PolarHBondContact O-N 3.18Å; Y34-Q68 CarbonylContact C-O 3.58Å; Y34-Q68 WeakPolarHBondContact CA-O 2.94Å; Y34-Q68 HydrophobicContact CE2-CG 4.06Å; Y34-A69 HydrophobicContact CD2-CB 4.34Å; Y34-L100 HydrophobicContact CD2-CD1 4Å; Y34-I102 HydrophobicContact CE2-CD1 4.48Å; Y34-I102 HydrophobicContact CE2-CG2 4.15Å; Y34-L133 HydrophobicContact CD1-CD1 3.5Å; Y34-L133 HydrophobicContact CD2-CD1 4.22Å; Y34-L133 HydrophobicContact CE1-CD1 4.15Å; Y34-L133 HydrophobicContact CG-CD1 3.54Å
35S98.8Very high97.7Very high0 Ų043.5 Ų43.50%021%0.207CC..EExtended strand (participates in β ladder)trans-113.7134.5171.9-153.40000109.8G13 F14 V37 Q68 N232G13-S35 CarbonylContact O-C 3.59Å; G13-S35 WeakPolarHBondContact O-CA 3.25Å; F14-S35 WeakPolarHBondContact CE1-OG 3.32Å; S35-V37 VanDerWaalsContact CB-O 3.28Å; S35-V37 WeakPolarHBondContact CB-O 3.26Å; S35-V37 PolarHBondContact O-N 2.87Å; S35-V37 PolarHBondContact OG-O 3.28Å; S35-Q68 PolarHBondContact N-O 3.31Å; S35-Q68 WeakPolarHBondContact O-CG 3.29Å; S35-Q68 PolarHBondContact O-NE2 2.91Å; S35-N232 VanDerWaalsContact OG-CB 3.26Å; S35-N232 WeakPolarHBondContact OG-CB 3.34Å; S35-N232 PolarHBondContact OG-ND2 3.01Å
36E98.1Very high97.8Very high108 Ų10834.1 Ų34.151%0.50517%0.167SC..EExtended strand (participates in β ladder)trans-58.6-33.6-179.4-169.9179.1156.300112.2G13 Y15 Q68G13-E36 PolarHBondContact O-N 3.45Å; Y15-E36 HydrophobicContact CE2-CB 4.32Å; E36-Q68 PolarHBondContact O-NE2 3.45Å; E36-Q68 VanDerWaalsContact O-NE2 3.11Å
37V98.6Very high97.9Very high45 Ų4527.9 Ų27.927%0.27314%0.141SC..EExtended strand (participates in β ladder)trans-118.4154.6175.5-58.90000110S35 A39 N232 L234S35-V37 VanDerWaalsContact CB-O 3.28Å; S35-V37 WeakPolarHBondContact CB-O 3.26Å; S35-V37 PolarHBondContact O-N 2.87Å; S35-V37 PolarHBondContact OG-O 3.28Å; V37-A39 PolarHBondContact O-N 3.27Å; V37-N232 HydrophobicContact CG2-CB 3.88Å; V37-N232 WeakPolarHBondContact CG2-O 3.44Å; V37-L234 HydrophobicContact CG1-CD2 4.35Å; V37-L234 HydrophobicContact CG2-CD1 4.17Å; V37-L234 HydrophobicContact CG2-CD2 4.12Å; V37-L234 HydrophobicContact CG2-CG 4.05Å
38P98.5Very high97.8Very high74 Ų7423.6 Ų23.648%0.48112%0.124SC..EExtended strand (participates in β ladder)trans-55.1128.8171.9-21.932.4000110.7T66P38-T66 HydrophobicContact CB-CG2 3.31Å
39A98.9Very high97.5Very high0 Ų030 Ų300%016%0.155CC..EExtended strand (participates in β ladder)trans-104.2136.8-176.400000110.9F14 V37 A41 T66 I67 L230 A231 N232F14-A39 HydrophobicContact CZ-CB 4.46Å; V37-A39 PolarHBondContact O-N 3.27Å; A39-A41 PolarHBondContact O-N 3.01Å; A39-T66 CarbonylContact O-C 3.59Å; A39-T66 VanDerWaalsContact O-CA 3.31Å; A39-T66 WeakPolarHBondContact O-CA 3.14Å; A39-I67 WeakPolarHBondContact CA-O 3.1Å; A39-I67 VanDerWaalsContact CB-O 3.3Å; A39-I67 WeakPolarHBondContact CB-O 3.36Å; A39-I67 PolarHBondContact N-O 2.99Å; A39-I67 PolarHBondContact O-N 3.32Å; A39-L230 HydrophobicContact CB-CB 3.97Å; A39-L230 HydrophobicContact CB-CD2 4.49Å; A39-L230 HydrophobicContact CB-CG 4.49Å; A39-A231 CarbonylContact C-O 3.56Å; A39-A231 WeakPolarHBondContact CA-O 3.28Å; A39-N232 HydrophobicContact CB-CB 3.85Å
40N98.8Very high97.3Very high41 Ų4133.5 Ų33.522%0.21918%0.176CC..EExtended strand (participates in β ladder)trans-59.9130.9167.8-71.3-11.1000108.2I195 E197 L200 A231N40-I195 PolarHBondContact ND2-O 3.12Å; N40-E197 HydrophobicContact CB-CB 4.27Å; N40-L200 WeakPolarHBondContact O-CD2 3.37Å; N40-A231 PolarHBondContact N-O 3.03Å; N40-A231 PolarHBondContact O-N 3.2Å
41A98.8Very high97.2Very high0 Ų036 Ų360%019%0.187CC..EExtended strand (participates in β ladder)trans-123.2147.3-170.300000111.9A39 M62 T65 I67 V229A39-A41 PolarHBondContact O-N 3.01Å; A41-M62 HydrophobicContact CB-CE 3.65Å; A41-M62 HydrophobicContact CB-SD 3.61Å; A41-T65 PolarHBondContact N-O 2.72Å; A41-I67 HydrophobicContact CB-CB 3.92Å; A41-I67 HydrophobicContact CB-CG1 3.66Å; A41-V229 VanDerWaalsContact CA-O 3.22Å; A41-V229 WeakPolarHBondContact CA-O 3.29Å
42A98.6Very high97.2Very high0 Ų036 Ų360%019%0.187CC..EExtended strand (participates in β ladder)trans-134.1145.2169.800000110.4L200 Q201 L204 V229A42-L200 HydrophobicContact CB-CB 4.24Å; A42-L200 HydrophobicContact CB-CD2 4.02Å; A42-L200 HydrophobicContact CB-CG 3.77Å; A42-Q201 VanDerWaalsContact CA-OE1 3.31Å; A42-Q201 HydrophobicContact CB-CB 4.05Å; A42-L204 VanDerWaalsContact C-CD2 3.49Å; A42-L204 HydrophobicContact CB-CB 4.28Å; A42-L204 HydrophobicContact CB-CD2 3.76Å; A42-V229 HydrophobicContact CB-CB 4.4Å; A42-V229 PolarHBondContact N-O 2.83Å; A42-V229 PolarHBondContact O-N 3.09Å
43A97.9Very high97.2Very high6 Ų636.4 Ų36.45%0.0519%0.19CC..EExtended strand (participates in β ladder)trans-141.6149179.500000113.4Y45 M62 Q201 L204 V227 L228A43-Y45 HydrophobicContact CB-CE1 4.01Å; A43-Y45 HydrophobicContact CB-CE2 3.77Å; A43-Y45 VanDerWaalsContact CB-CZ 3.45Å; A43-Y45 WeakPolarHBondContact CB-OH 3.38Å; A43-M62 HydrophobicContact CB-CE 3.94Å; A43-M62 HydrophobicContact CB-CG 4.38Å; A43-Q201 PolarHBondContact O-NE2 2.77Å; A43-Q201 PolarHBondContact O-OE1 3.37Å; A43-L204 VanDerWaalsContact C-CD2 3.46Å; A43-V227 VanDerWaalsContact CA-O 3.28Å; A43-V227 WeakPolarHBondContact CA-O 3.41Å; A43-L228 HydrophobicContact CB-CD1 3.85Å
44V96.9Very high97.2Very high11 Ų1136.5 Ų36.57%0.06719%0.191CC..EExtended strand (participates in β ladder)trans-128.4148.5161.7-68.80000108.4L204 T208 M226 V227V44-L204 HydrophobicContact CG1-CD2 4.12Å; V44-L204 HydrophobicContact CG1-CG 4.03Å; V44-L204 HydrophobicContact CG2-CD1 4.2Å; V44-L204 HydrophobicContact CG2-CD2 4.32Å; V44-L204 HydrophobicContact CG2-CG 4.26Å; V44-T208 HydrophobicContact CG2-CG2 4.1Å; V44-M226 VanDerWaalsContact O-CA 3.27Å; V44-M226 WeakPolarHBondContact O-CA 3.22Å; V44-V227 HydrophobicContact CG2-CB 3.66Å; V44-V227 HydrophobicContact CG2-CG2 3.79Å; V44-V227 PolarHBondContact N-O 3.45Å; V44-V227 PolarHBondContact O-N 2.82Å
45Y96.1Very high97.1Very high32 Ų3234.7 Ų34.713%0.12518%0.184CC..EExtended strand (participates in β ladder)trans-136.2153.5-168.3-49.6-90.6000111.5A43 T47 I55 T58 K59 M62 M182 D225 M226A43-Y45 HydrophobicContact CB-CE1 4.01Å; A43-Y45 HydrophobicContact CB-CE2 3.77Å; A43-Y45 VanDerWaalsContact CB-CZ 3.45Å; A43-Y45 WeakPolarHBondContact CB-OH 3.38Å; Y45-T47 PolarHBondContact O-N 2.94Å; Y45-I55 HydrophobicContact CD1-CD1 4.27Å; Y45-I55 HydrophobicContact CD1-CG2 4.15Å; Y45-I55 HydrophobicContact CG-CG2 4.45Å; Y45-T58 HydrophobicContact CE1-CG2 4.16Å; Y45-K59 HydrophobicContact CD1-CG 4.1Å; Y45-K59 HydrophobicContact CD2-CD 4.27Å; Y45-K59 HydrophobicContact CD2-CG 3.99Å; Y45-K59 HydrophobicContact CE1-CG 3.7Å; Y45-K59 HydrophobicContact CE2-CD 4.3Å; Y45-K59 HydrophobicContact CE2-CG 3.58Å; Y45-K59 HydrophobicContact CG-CD 4.41Å; Y45-K59 HydrophobicContact CG-CG 4.2Å; Y45-M62 WeakPolarHBondContact OH-CB 3.33Å; Y45-M62 VanDerWaalsContact OH-CG 3.25Å; Y45-M62 WeakPolarHBondContact OH-CG 3.48Å; Y45-M182 CarbonylContact C-O 3.57Å; Y45-M182 WeakPolarHBondContact O-CB 3.35Å; Y45-D225 CarbonylContact C-O 3.52Å; Y45-D225 WeakPolarHBondContact CA-O 3.31Å; Y45-M226 HydrophobicContact CD1-CB 4.48Å; Y45-M226 HydrophobicContact CD1-CG 3.91Å; Y45-M226 HydrophobicContact CD1-SD 3.87Å; Y45-M226 HydrophobicContact CE1-CG 4.09Å; Y45-M226 HydrophobicContact CE1-SD 3.61Å
46T95.2Very high97.1Very high1 Ų139.8 Ų39.81%0.00621%0.206CC..  trans-45.7136.7178.9-173.50000112.8N48 K51 I55 M182 S222 D225T46-N48 VanDerWaalsContact C-N 3.31Å; T46-N48 HydrophobicContact CG2-CB 4.36Å; T46-N48 VanDerWaalsContact OG1-CB 3.25Å; T46-N48 WeakPolarHBondContact OG1-CB 3.47Å; T46-N48 PolarHBondContact OG1-N 3.44Å; T46-K51 HydrophobicContact CG2-CG 4.11Å; T46-K51 WeakPolarHBondContact O-CE 3.49Å; T46-K51 PolarHBondContact O-NZ 3.24Å; T46-I55 HydrophobicContact CG2-CG1 4.42Å; T46-M182 WeakPolarHBondContact CA-O 3.44Å; T46-M182 PolarHBondContact N-O 3.44Å; T46-S222 PolarHBondContact OG1-O 2.79Å; T46-D225 WeakPolarHBondContact CB-OD2 3.42Å; T46-D225 PolarHBondContact N-O 3.15Å; T46-D225 PolarHBondContact OG1-OD2 3.37Å
47T93.1Very high97.1Very high46 Ų4634.8 Ų34.828%0.28218%0.183SC..  trans-82.6-9.3168.653.10000112.8Y45 Q49 N181 M182Y45-T47 PolarHBondContact O-N 2.94Å; T47-Q49 PolarHBondContact O-N 3.17Å; T47-N181 WeakPolarHBondContact CB-O 3.29Å; T47-N181 WeakPolarHBondContact CG2-O 3.42Å; T47-N181 PolarHBondContact N-O 2.71Å; T47-N181 WeakPolarHBondContact OG1-CB 3.2Å; T47-N181 VanDerWaalsContact OG1-CG 3.31Å; T47-N181 PolarHBondContact OG1-ND2 2.9Å; T47-N181 PolarHBondContact OG1-O 2.87Å; T47-M182 HydrophobicContact CG2-CB 4.04Å; T47-M182 HydrophobicContact CG2-CE 3.53Å; T47-M182 HydrophobicContact CG2-CG 4.27Å
48N94.3Very high97.1Very high40 Ų4032.7 Ų32.721%0.21417%0.17CC..  trans-51.6132.9175.3-170.7-35.8000109.9T46 V50 K51 T221 S222T46-N48 VanDerWaalsContact C-N 3.31Å; T46-N48 HydrophobicContact CG2-CB 4.36Å; T46-N48 VanDerWaalsContact OG1-CB 3.25Å; T46-N48 WeakPolarHBondContact OG1-CB 3.47Å; T46-N48 PolarHBondContact OG1-N 3.44Å; N48-V50 VanDerWaalsContact C-N 3.29Å; N48-V50 PolarHBondContact O-N 3.09Å; N48-V50 WeakPolarHBondContact OD1-CB 3.21Å; N48-V50 PolarHBondContact OD1-N 3.16Å; N48-K51 WeakPolarHBondContact O-CG 3.49Å; N48-K51 PolarHBondContact O-NZ 3.31Å; N48-T221 HydrophobicContact CB-CG2 4.07Å; N48-T221 PolarHBondContact ND2-O 3.38Å; N48-S222 WeakPolarHBondContact CB-O 3.24Å
49Q93.7Very high97Very high186 Ų18633 Ų3387%0.86916%0.164SC*.SBendtrans-69.8-30.5-178.8-62.9-175.71400112T47 K51T47-Q49 PolarHBondContact O-N 3.17Å; Q49-K51 PolarHBondContact O-N 3.02Å
50V94.6Very high97Very high74 Ų7438.2 Ų38.245%0.44819%0.188SC..SBendtrans-84.364176.7-168.20000109.5N48 C80 T223N48-V50 VanDerWaalsContact C-N 3.29Å; N48-V50 PolarHBondContact O-N 3.09Å; N48-V50 WeakPolarHBondContact OD1-CB 3.21Å; N48-V50 PolarHBondContact OD1-N 3.16Å; V50-C80 WeakPolarHBondContact CG1-SG 3.29Å; V50-T223 HydrophobicContact CB-CG2 4.29Å; V50-T223 HydrophobicContact CG1-CG2 4.39Å; V50-T223 WeakPolarHBondContact O-CB 3.35Å; V50-T223 WeakPolarHBondContact O-CG2 3.45Å
51K96Very high97Very high53 Ų5336.5 Ų36.523%0.2318%0.18CC..  trans-68.7137.9-178.6-63.5-179.1168.854.40111.3T46 N48 Q49 I55 F56T46-K51 HydrophobicContact CG2-CG 4.11Å; T46-K51 WeakPolarHBondContact O-CE 3.49Å; T46-K51 PolarHBondContact O-NZ 3.24Å; N48-K51 WeakPolarHBondContact O-CG 3.49Å; N48-K51 PolarHBondContact O-NZ 3.31Å; Q49-K51 PolarHBondContact O-N 3.02Å; K51-I55 HydrophobicContact CB-CB 4.44Å; K51-I55 HydrophobicContact CB-CG2 4.44Å; K51-I55 HydrophobicContact CD-CG2 4.12Å; K51-F56 HydrophobicContact CB-CE2 3.72Å; K51-F56 HydrophobicContact CB-CZ 3.71Å; K51-F56 HydrophobicContact CD-CZ 4.32Å
52A97.8Very high96.9Very high0 Ų037.3 Ų37.30%018%0.184CC..  trans-68.8153.6173.600000111.9P54 I55 F56 A79 T223 N224A52-P54 VanDerWaalsContact C-CD 3.46Å; A52-P54 HydrophobicContact CB-CG 4.06Å; A52-I55 WeakPolarHBondContact O-CB 3.46Å; A52-I55 PolarHBondContact O-N 2.98Å; A52-I55 VanDerWaalsContact O-N 3.14Å; A52-F56 WeakPolarHBondContact O-CD2 3.49Å; A52-A79 HydrophobicContact CB-CB 3.73Å; A52-T223 WeakPolarHBondContact CB-O 3.28Å; A52-T223 PolarHBondContact N-O 3.44Å; A52-N224 HydrophobicContact CB-CB 4.47Å; A52-N224 VanDerWaalsContact CB-CG 3.42Å; A52-N224 WeakPolarHBondContact CB-ND2 3.3Å; A52-N224 VanDerWaalsContact CB-OD1 3.31Å; A52-N224 WeakPolarHBondContact CB-OD1 3.44Å
53A98.6Very high96.8Very high9 Ų943.8 Ų43.87%0.07421%0.212CC..Hα-helixtrans-51.1-45.7177.700000114.9I55 F56 V57 N78 G85 L86 A89A53-I55 PolarHBondContact O-N 3Å; A53-F56 PolarHBondContact O-N 3.47Å; A53-F56 VanDerWaalsContact O-N 3.09Å; A53-V57 PolarHBondContact O-N 2.99Å; A53-N78 PolarHBondContact N-O 2.83Å; A53-G85 VanDerWaalsContact CB-C 3.47Å; A53-G85 WeakPolarHBondContact CB-O 3.47Å; A53-L86 HydrophobicContact CB-CB 4.33Å; A53-A89 HydrophobicContact CB-CB 4.26Å
54P98.4Very high96.5Very high1 Ų148.8 Ų48.81%0.00624%0.238CC..Hα-helixtrans-61.1-26.3-18025.3-39.3000114A52 F56 V57 T58 V109A52-P54 VanDerWaalsContact C-CD 3.46Å; A52-P54 HydrophobicContact CB-CG 4.06Å; P54-F56 VanDerWaalsContact C-N 3.28Å; P54-F56 PolarHBondContact O-N 3.28Å; P54-V57 PolarHBondContact O-N 3Å; P54-T58 PolarHBondContact O-N 2.78Å; P54-T58 PolarHBondContact O-OG1 3.44Å; P54-V109 HydrophobicContact CB-CB 4.3Å; P54-V109 HydrophobicContact CB-CG1 3.94Å
55I97.5Very high96.4Very high2 Ų250.1 Ų50.11%0.0125%0.246CC..Hα-helixtrans-60.5-41176.1-63.1-57.3000110.8Y45 T46 K51 A52 A53 K59 N224 D225 M226Y45-I55 HydrophobicContact CD1-CD1 4.27Å; Y45-I55 HydrophobicContact CD1-CG2 4.15Å; Y45-I55 HydrophobicContact CG-CG2 4.45Å; T46-I55 HydrophobicContact CG2-CG1 4.42Å; K51-I55 HydrophobicContact CB-CB 4.44Å; K51-I55 HydrophobicContact CB-CG2 4.44Å; K51-I55 HydrophobicContact CD-CG2 4.12Å; A52-I55 WeakPolarHBondContact O-CB 3.46Å; A52-I55 PolarHBondContact O-N 2.98Å; A52-I55 VanDerWaalsContact O-N 3.14Å; A53-I55 PolarHBondContact O-N 3Å; I55-K59 HydrophobicContact CG2-CD 4.07Å; I55-K59 HydrophobicContact CG2-CG 4.48Å; I55-K59 VanDerWaalsContact O-CB 3.28Å; I55-K59 WeakPolarHBondContact O-CB 3.36Å; I55-K59 WeakPolarHBondContact O-CG 3.22Å; I55-K59 PolarHBondContact O-N 2.82Å; I55-N224 WeakPolarHBondContact CD1-O 3.25Å; I55-D225 WeakPolarHBondContact CD1-O 3.17Å; I55-M226 HydrophobicContact CD1-CB 4.43Å
56F98Very high96.5Very high107 Ų10750.6 Ų50.647%0.46925%0.252SS..Hα-helixtrans-71.7-39.1-179.6-61.3-78.5000111.9K51 A52 A53 P54 K59 E60 L86K51-F56 HydrophobicContact CB-CE2 3.72Å; K51-F56 HydrophobicContact CB-CZ 3.71Å; K51-F56 HydrophobicContact CD-CZ 4.32Å; A52-F56 WeakPolarHBondContact O-CD2 3.49Å; A53-F56 PolarHBondContact O-N 3.47Å; A53-F56 VanDerWaalsContact O-N 3.09Å; P54-F56 VanDerWaalsContact C-N 3.28Å; P54-F56 PolarHBondContact O-N 3.28Å; F56-K59 PolarHBondContact O-N 2.84Å; F56-E60 PolarHBondContact O-N 3.17Å; F56-E60 VanDerWaalsContact O-N 3.08Å; F56-L86 HydrophobicContact CB-CD1 4.02Å
57V98.7Very high96.7Very high3 Ų350.5 Ų50.52%0.01825%0.252CS..Hα-helixtrans-63.5-49177.2178.50000110.6A53 P54 K59 E60 A61 L86 A89 K90 Q93 V109A53-V57 PolarHBondContact O-N 2.99Å; P54-V57 PolarHBondContact O-N 3Å; V57-K59 PolarHBondContact O-N 2.99Å; V57-E60 WeakPolarHBondContact O-CB 3.32Å; V57-E60 PolarHBondContact O-N 2.83Å; V57-E60 VanDerWaalsContact O-N 3.14Å; V57-A61 PolarHBondContact O-N 3.06Å; V57-L86 HydrophobicContact CG2-CD1 3.83Å; V57-A89 HydrophobicContact CB-CB 4.5Å; V57-A89 HydrophobicContact CG2-CB 3.63Å; V57-K90 HydrophobicContact CG1-CG 4.48Å; V57-K90 HydrophobicContact CG2-CG 3.77Å; V57-Q93 HydrophobicContact CG1-CB 4.2Å; V57-Q93 VanDerWaalsContact CG1-CD 3.5Å; V57-Q93 HydrophobicContact CG1-CG 4.25Å; V57-Q93 VanDerWaalsContact CG1-OE1 3.25Å; V57-V109 HydrophobicContact CG1-CB 4.46Å; V57-V109 HydrophobicContact CG1-CG2 3.97Å
58T98.5Very high96.9Very high0 Ų049.2 Ų49.20%024%0.242CC..Hα-helixtrans-68.2-34.4178.9-60.10000112.6Y45 P54 E60 A61 M62 A108 V109 M226Y45-T58 HydrophobicContact CE1-CG2 4.16Å; P54-T58 PolarHBondContact O-N 2.78Å; P54-T58 PolarHBondContact O-OG1 3.44Å; T58-E60 VanDerWaalsContact C-N 3.27Å; T58-E60 PolarHBondContact O-N 3.03Å; T58-A61 PolarHBondContact O-N 3.09Å; T58-M62 HydrophobicContact CG2-CG 4.14Å; T58-M62 VanDerWaalsContact O-CB 3.32Å; T58-M62 WeakPolarHBondContact O-CB 3.45Å; T58-M62 WeakPolarHBondContact O-CG 3.35Å; T58-M62 PolarHBondContact O-N 3.32Å; T58-A108 HydrophobicContact CG2-CB 3.69Å; T58-V109 PolarHBondContact OG1-N 2.85Å; T58-V109 PolarHBondContact OG1-O 3.16Å; T58-M226 HydrophobicContact CG2-CE 4.3Å; T58-M226 HydrophobicContact CG2-SD 3.57Å; T58-M226 VanDerWaalsContact CG2-SD 3.57Å
59K97.4Very high97.1Very high81 Ų8147.3 Ų47.335%0.35223%0.232SC..Hα-helixtrans-61.9-34.9171.6-82.8-178.4176.6-167.90113.1Y45 I55 F56 V57Y45-K59 HydrophobicContact CD1-CG 4.1Å; Y45-K59 HydrophobicContact CD2-CD 4.27Å; Y45-K59 HydrophobicContact CD2-CG 3.99Å; Y45-K59 HydrophobicContact CE1-CG 3.7Å; Y45-K59 HydrophobicContact CE2-CD 4.3Å; Y45-K59 HydrophobicContact CE2-CG 3.58Å; Y45-K59 HydrophobicContact CG-CD 4.41Å; Y45-K59 HydrophobicContact CG-CG 4.2Å; I55-K59 HydrophobicContact CG2-CD 4.07Å; I55-K59 HydrophobicContact CG2-CG 4.48Å; I55-K59 VanDerWaalsContact O-CB 3.28Å; I55-K59 WeakPolarHBondContact O-CB 3.36Å; I55-K59 WeakPolarHBondContact O-CG 3.22Å; I55-K59 PolarHBondContact O-N 2.82Å; F56-K59 PolarHBondContact O-N 2.84Å; V57-K59 PolarHBondContact O-N 2.99Å
60E98.5Very high97.4Very high110 Ų11038.4 Ų38.451%0.51419%0.191SC..Hα-helixtrans-69.9-47.1176-169.565-157.800110.9F56 V57 T58 M62 K63F56-E60 PolarHBondContact O-N 3.17Å; F56-E60 VanDerWaalsContact O-N 3.08Å; V57-E60 WeakPolarHBondContact O-CB 3.32Å; V57-E60 PolarHBondContact O-N 2.83Å; V57-E60 VanDerWaalsContact O-N 3.14Å; T58-E60 VanDerWaalsContact C-N 3.27Å; T58-E60 PolarHBondContact O-N 3.03Å; E60-M62 VanDerWaalsContact C-N 3.25Å; E60-M62 PolarHBondContact O-N 2.98Å; E60-K63 VanDerWaalsContact CD-CE 3.49Å; E60-K63 WeakPolarHBondContact O-CB 3.17Å; E60-K63 WeakPolarHBondContact O-CG 3.36Å; E60-K63 PolarHBondContact O-N 3.33Å; E60-K63 VanDerWaalsContact O-N 3.14Å; E60-K63 WeakPolarHBondContact OE1-CE 3.36Å; E60-K63 IonicContact OE1-NZ 2.7Å; E60-K63 PolarHBondContact OE1-NZ 3.08Å; E60-K63 WeakPolarHBondContact OE2-CE 3.31Å; E60-K63 IonicContact OE2-NZ 2.8Å; E60-K63 PolarHBondContact OE2-NZ 3.02Å
61A98.1Very high97.6Very high4 Ų434.9 Ų34.93%0.03317%0.169CC..Hα-helixtrans-57.2-38.3175.400000112.6V57 T58 K63 I67 E105V57-A61 PolarHBondContact O-N 3.06Å; T58-A61 PolarHBondContact O-N 3.09Å; A61-K63 PolarHBondContact O-N 2.9Å; A61-I67 HydrophobicContact CB-CD1 3.92Å; A61-E105 VanDerWaalsContact CB-O 3.26Å; A61-E105 WeakPolarHBondContact CB-O 3.44Å
62M97.5Very high97.7Very high17 Ų1732.4 Ų32.48%0.08416%0.158CC..G310 helixtrans-73.2-1.2-179.5-72.5-67.6-56.900114.6A41 A43 Y45 T58 E60 D64 T65 I67 L228A41-M62 HydrophobicContact CB-CE 3.65Å; A41-M62 HydrophobicContact CB-SD 3.61Å; A43-M62 HydrophobicContact CB-CE 3.94Å; A43-M62 HydrophobicContact CB-CG 4.38Å; Y45-M62 WeakPolarHBondContact OH-CB 3.33Å; Y45-M62 VanDerWaalsContact OH-CG 3.25Å; Y45-M62 WeakPolarHBondContact OH-CG 3.48Å; T58-M62 HydrophobicContact CG2-CG 4.14Å; T58-M62 VanDerWaalsContact O-CB 3.32Å; T58-M62 WeakPolarHBondContact O-CB 3.45Å; T58-M62 WeakPolarHBondContact O-CG 3.35Å; T58-M62 PolarHBondContact O-N 3.32Å; E60-M62 VanDerWaalsContact C-N 3.25Å; E60-M62 PolarHBondContact O-N 2.98Å; M62-D64 VanDerWaalsContact C-N 3.27Å; M62-D64 PolarHBondContact O-N 3.08Å; M62-T65 WeakPolarHBondContact O-CG2 3.46Å; M62-T65 PolarHBondContact O-N 3.17Å; M62-T65 VanDerWaalsContact O-N 3.14Å; M62-I67 HydrophobicContact SD-CD1 3.95Å; M62-I67 HydrophobicContact SD-CG1 3.43Å; M62-I67 WeakPolarHBondContact SD-CG1 3.44Å; M62-L228 HydrophobicContact CE-CD1 4.37Å; M62-L228 HydrophobicContact SD-CD1 3.8Å
63K96.4Very high97.8Very high136 Ų13632.4 Ų32.459%0.59116%0.158SC*.G310 helixtrans-64.8-32.7173.6-73.8-178.4-178.21710113E60 A61 T65E60-K63 VanDerWaalsContact CD-CE 3.49Å; E60-K63 WeakPolarHBondContact O-CB 3.17Å; E60-K63 WeakPolarHBondContact O-CG 3.36Å; E60-K63 PolarHBondContact O-N 3.33Å; E60-K63 VanDerWaalsContact O-N 3.14Å; E60-K63 WeakPolarHBondContact OE1-CE 3.36Å; E60-K63 IonicContact OE1-NZ 2.7Å; E60-K63 PolarHBondContact OE1-NZ 3.08Å; E60-K63 WeakPolarHBondContact OE2-CE 3.31Å; E60-K63 IonicContact OE2-NZ 2.8Å; E60-K63 PolarHBondContact OE2-NZ 3.02Å; A61-K63 PolarHBondContact O-N 2.9Å; K63-T65 VanDerWaalsContact C-N 3.26Å
64D92.4Very high97.8Very high112 Ų11232 Ų3260%0.59916%0.155SC*.G310 helixtrans-88.51.9176.1-65.2-20.9000112.1M62 T66M62-D64 VanDerWaalsContact C-N 3.27Å; M62-D64 PolarHBondContact O-N 3.08Å; D64-T66 WeakPolarHBondContact O-CB 3.36Å; D64-T66 PolarHBondContact O-N 3.21Å; D64-T66 PolarHBondContact O-OG1 2.91Å
65T94.5Very high97.7Very high39 Ų3932.8 Ų32.824%0.23916%0.163CC..  trans50.118175.943.70000115.3A41 M62 K63 E197A41-T65 PolarHBondContact N-O 2.72Å; M62-T65 WeakPolarHBondContact O-CG2 3.46Å; M62-T65 PolarHBondContact O-N 3.17Å; M62-T65 VanDerWaalsContact O-N 3.14Å; K63-T65 VanDerWaalsContact C-N 3.26Å; T65-E197 VanDerWaalsContact CB-OE2 3.24Å; T65-E197 WeakPolarHBondContact CB-OE2 3.34Å; T65-E197 PolarHBondContact OG1-OE1 2.87Å; T65-E197 PolarHBondContact OG1-OE2 3.23Å
66T97.2Very high97.7Very high41 Ų4133.4 Ų33.425%0.25217%0.167SC..EExtended strand (participates in β ladder)trans-130.1116.4-176.1-550000108.7P38 A39 D64P38-T66 HydrophobicContact CB-CG2 3.31Å; A39-T66 CarbonylContact O-C 3.59Å; A39-T66 VanDerWaalsContact O-CA 3.31Å; A39-T66 WeakPolarHBondContact O-CA 3.14Å; D64-T66 WeakPolarHBondContact O-CB 3.36Å; D64-T66 PolarHBondContact O-N 3.21Å; D64-T66 PolarHBondContact O-OG1 2.91Å
67I98.7Very high97.7Very high0 Ų028.4 Ų28.40%015%0.145CC..EExtended strand (participates in β ladder)trans-123.4138.3-179.8-62.5-63.9000108.8A39 A41 A61 M62 A69 V70 A108 L230A39-I67 WeakPolarHBondContact CA-O 3.1Å; A39-I67 VanDerWaalsContact CB-O 3.3Å; A39-I67 WeakPolarHBondContact CB-O 3.36Å; A39-I67 PolarHBondContact N-O 2.99Å; A39-I67 PolarHBondContact O-N 3.32Å; A41-I67 HydrophobicContact CB-CB 3.92Å; A41-I67 HydrophobicContact CB-CG1 3.66Å; A61-I67 HydrophobicContact CB-CD1 3.92Å; M62-I67 HydrophobicContact SD-CD1 3.95Å; M62-I67 HydrophobicContact SD-CG1 3.43Å; M62-I67 WeakPolarHBondContact SD-CG1 3.44Å; I67-A69 WeakPolarHBondContact CG2-O 3.37Å; I67-V70 HydrophobicContact CG2-CG2 4.4Å; I67-A108 HydrophobicContact CD1-CB 4.34Å; I67-A108 HydrophobicContact CG2-CB 4.07Å; I67-L230 HydrophobicContact CB-CD2 4.44Å; I67-L230 HydrophobicContact CG2-CD2 4Å; I67-L230 HydrophobicContact CG2-CG 4.49Å
68Q98.7Very high97.6Very high18 Ų1828.2 Ų28.28%0.08414%0.144CC..EExtended strand (participates in β ladder)trans-114.1-22.4177.8-162.7168.916.900112.4Y34 S35 E36 I102 S106Y34-Q68 CarbonylContact C-O 3.58Å; Y34-Q68 WeakPolarHBondContact CA-O 2.94Å; Y34-Q68 HydrophobicContact CE2-CG 4.06Å; S35-Q68 PolarHBondContact N-O 3.31Å; S35-Q68 WeakPolarHBondContact O-CG 3.29Å; S35-Q68 PolarHBondContact O-NE2 2.91Å; E36-Q68 PolarHBondContact O-NE2 3.45Å; E36-Q68 VanDerWaalsContact O-NE2 3.11Å; Q68-I102 HydrophobicContact CB-CD1 4.12Å; Q68-I102 HydrophobicContact CG-CD1 4.48Å; Q68-I102 HydrophobicContact CG-CG2 4.49Å; Q68-I102 VanDerWaalsContact OE1-CG2 3.27Å; Q68-S106 PolarHBondContact N-O 2.8Å
69A98.9Very high97.6Very high0 Ų028.2 Ų28.20%014%0.144CC..EExtended strand (participates in β ladder)trans-141.5155173.700000113.2I33 Y34 I67 L100 I102 S106 V107 A108I33-A69 CarbonylContact O-C 3.57Å; I33-A69 WeakPolarHBondContact O-CA 3.27Å; Y34-A69 HydrophobicContact CD2-CB 4.34Å; I67-A69 WeakPolarHBondContact CG2-O 3.37Å; A69-L100 HydrophobicContact CB-CD1 3.65Å; A69-I102 HydrophobicContact CB-CD1 3.7Å; A69-S106 PolarHBondContact N-O 3.11Å; A69-S106 VanDerWaalsContact N-O 3.16Å; A69-V107 HydrophobicContact CB-CG1 4.47Å; A69-V107 HydrophobicContact CB-CG2 4.32Å; A69-V107 CarbonylContact O-C 3.59Å; A69-V107 WeakPolarHBondContact O-CA 3.46Å; A69-A108 PolarHBondContact O-N 2.7Å
70V98.9Very high97.6Very high0 Ų028.3 Ų28.30%015%0.154CC..EExtended strand (participates in β ladder)trans-127.2120.1170.8-169.10000107.7V32 I33 I67 V72 A108 F188 L228 L230V32-V70 CarbonylContact C-O 2.84Å; V32-V70 VanDerWaalsContact CA-O 3.25Å; V32-V70 WeakPolarHBondContact CA-O 3.43Å; I33-V70 HydrophobicContact CB-CB 4.22Å; I33-V70 HydrophobicContact CB-CG2 4.39Å; I33-V70 PolarHBondContact N-O 3.44Å; I33-V70 PolarHBondContact O-N 2.87Å; I67-V70 HydrophobicContact CG2-CG2 4.4Å; V70-V72 HydrophobicContact CG1-CG2 3.91Å; V70-A108 CarbonylContact C-O 3.55Å; V70-A108 WeakPolarHBondContact CA-O 3.33Å; V70-A108 HydrophobicContact CG1-CB 4.25Å; V70-A108 HydrophobicContact CG2-CB 4.3Å; V70-F188 HydrophobicContact CG1-CD1 4.02Å; V70-F188 HydrophobicContact CG1-CE1 3.64Å; V70-F188 HydrophobicContact CG1-CZ 4.38Å; V70-L228 HydrophobicContact CB-CD2 4.43Å; V70-L228 HydrophobicContact CG1-CD2 4.02Å; V70-L228 HydrophobicContact CG2-CD2 3.51Å; V70-L230 HydrophobicContact CG2-CD1 3.89Å; V70-L230 HydrophobicContact CG2-CD2 4.07Å
71V98.9Very high97.6Very high0 Ų023.6 Ų23.60%013%0.133CC..EExtended strand (participates in β ladder)trans-106.113017366.90000109.9L30 V32 M92 T96 V107 A108 V109 A110L30-V71 HydrophobicContact CD1-CG2 4.16Å; V32-V71 HydrophobicContact CG2-CB 4.1Å; V32-V71 HydrophobicContact CG2-CG2 3.77Å; V71-M92 HydrophobicContact CB-CE 4.05Å; V71-M92 HydrophobicContact CG1-CE 3.75Å; V71-M92 HydrophobicContact CG1-CG 4.05Å; V71-M92 HydrophobicContact CG2-CE 3.31Å; V71-T96 HydrophobicContact CB-CG2 4.08Å; V71-T96 HydrophobicContact CG1-CG2 4.42Å; V71-V107 HydrophobicContact CG1-CG1 4.03Å; V71-A108 PolarHBondContact N-O 3.41Å; V71-V109 HydrophobicContact CG1-CB 4.41Å; V71-V109 HydrophobicContact CG1-CG1 4.34Å; V71-V109 HydrophobicContact CG1-CG2 3.98Å; V71-V109 WeakPolarHBondContact O-CA 3.15Å; V71-A110 PolarHBondContact O-N 2.96Å
72V98.8Very high97.6Very high0 Ų026.2 Ų26.20%016%0.16CC..EExtended strand (participates in β ladder)trans-129.9122.8-174.2-169.30000110L30 G31 V70 A110 F141 I145 L186 F188L30-V72 CarbonylContact C-O 3.46Å; L30-V72 WeakPolarHBondContact CA-O 3.28Å; G31-V72 PolarHBondContact N-O 3.02Å; G31-V72 PolarHBondContact O-N 2.93Å; V70-V72 HydrophobicContact CG1-CG2 3.91Å; V72-A110 VanDerWaalsContact CA-O 3.29Å; V72-A110 WeakPolarHBondContact CA-O 3.48Å; V72-A110 HydrophobicContact CB-CB 4.47Å; V72-A110 HydrophobicContact CG1-CB 4.05Å; V72-A110 HydrophobicContact CG2-CB 4.06Å; V72-F141 HydrophobicContact CB-CE2 4.33Å; V72-F141 HydrophobicContact CG2-CE2 3.92Å; V72-F141 HydrophobicContact CG2-CZ 3.86Å; V72-I145 HydrophobicContact CB-CG2 3.88Å; V72-I145 HydrophobicContact CG1-CB 4.32Å; V72-I145 HydrophobicContact CG1-CG2 3.64Å; V72-I145 HydrophobicContact CG2-CG2 4.35Å; V72-L186 HydrophobicContact CG1-CD1 4.02Å; V72-F188 HydrophobicContact CG1-CZ 4.37Å; V72-F188 HydrophobicContact CG2-CE1 4.16Å; V72-F188 HydrophobicContact CG2-CE2 3.92Å; V72-F188 HydrophobicContact CG2-CZ 3.5Å
73N98.8Very high97.6Very high0 Ų033.8 Ų33.80%019%0.193CC..EExtended strand (participates in β ladder)trans-104151.5166.779-81.1000111.3L23 D29 L30 I76 M92 A110 S111 T112 L119 I124L23-N73 HydrophobicContact CD1-CB 3.66Å; D29-N73 CarbonylContact O-C 3.53Å; D29-N73 VanDerWaalsContact O-CA 3.3Å; D29-N73 WeakPolarHBondContact O-CA 3.45Å; L30-N73 HydrophobicContact CD1-CB 4.12Å; N73-I76 PolarHBondContact ND2-O 3.09Å; N73-M92 HydrophobicContact CB-CE 4.05Å; N73-A110 PolarHBondContact N-O 3.36Å; N73-A110 VanDerWaalsContact N-O 3.09Å; N73-A110 PolarHBondContact OD1-O 3.27Å; N73-S111 CarbonylContact O-C 3.58Å; N73-S111 WeakPolarHBondContact O-CA 3.32Å; N73-S111 WeakPolarHBondContact OD1-CA 3.4Å; N73-S111 WeakPolarHBondContact OD1-CB 3.26Å; N73-S111 PolarHBondContact OD1-OG 2.91Å; N73-T112 PolarHBondContact O-N 3.43Å; N73-L119 WeakPolarHBondContact ND2-CD2 3.42Å; N73-I124 HydrophobicContact CB-CD1 4.11Å
74S98.3Very high97.7Very high0 Ų031.6 Ų31.60%019%0.187CC..EExtended strand (participates in β ladder)trans-129.6159.4171.265.90000112.2K24 D29 T112 A144 L146K24-S74 WeakPolarHBondContact CE-OG 3.47Å; K24-S74 PolarHBondContact NZ-OG 3.46Å; D29-S74 WeakPolarHBondContact CA-OG 3.33Å; D29-S74 PolarHBondContact O-N 3.42Å; S74-T112 CarbonylContact C-O 3.47Å; S74-T112 VanDerWaalsContact CA-O 3.22Å; S74-T112 WeakPolarHBondContact CA-O 3.18Å; S74-T112 VanDerWaalsContact CB-CG2 3.48Å; S74-A144 WeakPolarHBondContact CB-O 3.47Å; S74-A144 PolarHBondContact OG-O 2.88Å; S74-L146 PolarHBondContact OG-O 2.97Å
75G96.4Very high98Very high18 Ų1826.2 Ų26.219%0.18616%0.158CC..EExtended strand (participates in β ladder)trans98.5-30.3-171.500000113.6T112 V114G75-T112 CarbonylContact C-O 3.48Å; G75-T112 PolarHBondContact N-O 3.19Å; G75-V114 PolarHBondContact O-N 3.48Å
76I98.1Very high98.2Very high15 Ų1527.2 Ų27.28%0.07716%0.162CC..EExtended strand (participates in β ladder)trans-131.2119.2177.1-61.6174.5000109.3L23 N73 N78 T112 K117 L119 P120L23-I76 HydrophobicContact CD2-CD1 4.49Å; N73-I76 PolarHBondContact ND2-O 3.09Å; I76-N78 VanDerWaalsContact C-N 3.3Å; I76-N78 PolarHBondContact O-N 2.85Å; I76-T112 CarbonylContact C-O 3.55Å; I76-T112 VanDerWaalsContact C-O 3.26Å; I76-T112 PolarHBondContact N-O 3.45Å; I76-T112 VanDerWaalsContact N-O 3.09Å; I76-K117 HydrophobicContact CG1-CB 4.32Å; I76-K117 HydrophobicContact CG2-CB 3.92Å; I76-K117 WeakPolarHBondContact CG2-O 3.27Å; I76-L119 HydrophobicContact CB-CD2 4.03Å; I76-L119 HydrophobicContact CG2-CD2 3.77Å; I76-P120 HydrophobicContact CD1-CG 4.33Å
77A97.2Very high98.3Very high2 Ų230.7 Ų30.72%0.01718%0.175CC..  trans-74.3-18.3-177.500000113.8A79 S111 G113 V114 I115 N224A77-A79 HydrophobicContact CB-CB 4.18Å; A77-A79 PolarHBondContact O-N 3.04Å; A77-S111 WeakPolarHBondContact O-CB 3.34Å; A77-G113 WeakPolarHBondContact CB-O 3.48Å; A77-V114 PolarHBondContact N-O 3.34Å; A77-I115 HydrophobicContact CB-CG1 4.19Å; A77-N224 PolarHBondContact O-ND2 3.48Å
78N98.4Very high98.3Very high0 Ų031.3 Ų31.30%018%0.178CC..  trans49.939.9-170.9-164.517.2000112.6A53 I76 T81 G85 L119A53-N78 PolarHBondContact N-O 2.83Å; I76-N78 VanDerWaalsContact C-N 3.3Å; I76-N78 PolarHBondContact O-N 2.85Å; N78-T81 PolarHBondContact O-OG1 2.95Å; N78-T81 WeakPolarHBondContact OD1-CB 3.32Å; N78-T81 PolarHBondContact OD1-OG1 3.28Å; N78-G85 PolarHBondContact ND2-O 2.85Å; N78-G85 VanDerWaalsContact OD1-CA 3.25Å; N78-G85 WeakPolarHBondContact OD1-CA 3.12Å; N78-G85 PolarHBondContact OD1-O 2.88Å; N78-L119 HydrophobicContact CB-CD1 4.06Å; N78-L119 HydrophobicContact CB-CD2 4.25Å; N78-L119 HydrophobicContact CB-CG 3.96Å; N78-L119 WeakPolarHBondContact ND2-CD1 3.23Å
79A97.7Very high98.3Very high0 Ų030.4 Ų30.40%017%0.174CC..  trans-109.3146.2174.600000109.4A52 A77 T81 I115 G116 T223A52-A79 HydrophobicContact CB-CB 3.73Å; A77-A79 HydrophobicContact CB-CB 4.18Å; A77-A79 PolarHBondContact O-N 3.04Å; A79-T81 PolarHBondContact O-N 2.84Å; A79-I115 HydrophobicContact CB-CG1 4.17Å; A79-I115 HydrophobicContact CB-CG2 4.08Å; A79-G116 WeakPolarHBondContact O-CA 3.36Å; A79-G116 PolarHBondContact O-N 2.95Å; A79-T223 HydrophobicContact CB-CG2 4.44Å; A79-T223 WeakPolarHBondContact CB-OG1 3.5Å
80C98Very high98.3Very high82 Ų8235.8 Ų35.855%0.55420%0.197SC*.SBendtrans58.332.3-175.3-57.20000114.3V50 I115V50-C80 WeakPolarHBondContact CG1-SG 3.29Å; C80-I115 HydrophobicContact CB-CG2 4.07Å
81T98.4Very high98.3Very high11 Ų1140.1 Ų40.17%0.06722%0.218CC..  trans-103.62.8-17541.30000114.1N78 A79 G85 K117 Q118N78-T81 PolarHBondContact O-OG1 2.95Å; N78-T81 WeakPolarHBondContact OD1-CB 3.32Å; N78-T81 PolarHBondContact OD1-OG1 3.28Å; A79-T81 PolarHBondContact O-N 2.84Å; T81-G85 PolarHBondContact O-N 2.87Å; T81-G85 WeakPolarHBondContact OG1-CA 3.46Å; T81-K117 WeakPolarHBondContact CG2-O 3.15Å; T81-Q118 PolarHBondContact O-NE2 2.88Å
82G97.4Very high98.3Very high59 Ų5940.1 Ų40.161%0.60822%0.218SC*.Hα-helixtrans64.9-155.8175.900000114L84 G85 L86G82-L84 VanDerWaalsContact C-N 3.33Å; G82-L84 PolarHBondContact O-N 2.96Å; G82-G85 PolarHBondContact O-N 2.92Å; G82-L86 PolarHBondContact O-N 3.14Å
83K98.1Very high98.3Very high177 Ų17740.9 Ų40.977%0.7722%0.221SC*.Hα-helixtrans-59.3-42.8179.9-69.7-178.7176.5-1790112.3G85 L86 E87K83-G85 VanDerWaalsContact C-N 3.3Å; K83-G85 PolarHBondContact O-N 3.42Å; K83-L86 WeakPolarHBondContact O-CB 3.37Å; K83-L86 PolarHBondContact O-N 2.86Å; K83-L86 VanDerWaalsContact O-N 3.09Å; K83-E87 WeakPolarHBondContact O-CG 3.35Å; K83-E87 PolarHBondContact O-N 3.49Å
84L98.7Very high98.3Very high89 Ų8942.2 Ų42.247%0.46623%0.232SC..Hα-helixtrans-59.5-40.3178.4-179.759.8000112G82 L86 E87 N88 Q118G82-L84 VanDerWaalsContact C-N 3.33Å; G82-L84 PolarHBondContact O-N 2.96Å; L84-L86 VanDerWaalsContact C-N 3.31Å; L84-L86 PolarHBondContact O-N 3.22Å; L84-E87 PolarHBondContact O-N 3.42Å; L84-N88 WeakPolarHBondContact O-CB 3.36Å; L84-N88 PolarHBondContact O-N 3.46Å; L84-N88 PolarHBondContact O-ND2 2.96Å; L84-Q118 HydrophobicContact CD2-CG 4.23Å
85G98.8Very high98.4Very high0 Ų043.5 Ų43.50%024%0.239CC..Hα-helixtrans-62.9-36.7175.900000113.9A53 N78 T81 G82 K83 A89A53-G85 VanDerWaalsContact CB-C 3.47Å; A53-G85 WeakPolarHBondContact CB-O 3.47Å; N78-G85 PolarHBondContact ND2-O 2.85Å; N78-G85 VanDerWaalsContact OD1-CA 3.25Å; N78-G85 WeakPolarHBondContact OD1-CA 3.12Å; N78-G85 PolarHBondContact OD1-O 2.88Å; T81-G85 PolarHBondContact O-N 2.87Å; T81-G85 WeakPolarHBondContact OG1-CA 3.46Å; G82-G85 PolarHBondContact O-N 2.92Å; K83-G85 VanDerWaalsContact C-N 3.3Å; K83-G85 PolarHBondContact O-N 3.42Å; G85-A89 WeakPolarHBondContact O-CB 3.27Å; G85-A89 PolarHBondContact O-N 3.02Å
86L98.8Very high98.5Very high60 Ų6042.7 Ų42.731%0.31423%0.23SC..Hα-helixtrans-70-40.9175.3-178.464.1000111.6A53 F56 V57 G82 K83 L84 A89 K90A53-L86 HydrophobicContact CB-CB 4.33Å; F56-L86 HydrophobicContact CB-CD1 4.02Å; V57-L86 HydrophobicContact CG2-CD1 3.83Å; G82-L86 PolarHBondContact O-N 3.14Å; K83-L86 WeakPolarHBondContact O-CB 3.37Å; K83-L86 PolarHBondContact O-N 2.86Å; K83-L86 VanDerWaalsContact O-N 3.09Å; L84-L86 VanDerWaalsContact C-N 3.31Å; L84-L86 PolarHBondContact O-N 3.22Å; L86-A89 PolarHBondContact O-N 3.43Å; L86-K90 WeakPolarHBondContact O-CG 3.39Å; L86-K90 PolarHBondContact O-N 3.35Å; L86-K90 VanDerWaalsContact O-N 3.1Å
87E98.8Very high98.5Very high113 Ų11342 Ų4253%0.52823%0.227SC..Hα-helixtrans-60.5-49.4173.6-71.6161.8-168.500110.6K83 L84 A89 K90 E91K83-E87 WeakPolarHBondContact O-CG 3.35Å; K83-E87 PolarHBondContact O-N 3.49Å; L84-E87 PolarHBondContact O-N 3.42Å; E87-A89 VanDerWaalsContact C-N 3.31Å; E87-A89 PolarHBondContact O-N 3.36Å; E87-K90 WeakPolarHBondContact O-CB 3.31Å; E87-K90 PolarHBondContact O-N 2.85Å; E87-K90 VanDerWaalsContact O-N 3.08Å; E87-E91 WeakPolarHBondContact O-CB 3.07Å; E87-E91 PolarHBondContact O-N 2.97Å
88N98.9Very high98.6Very high13 Ų1347.4 Ų47.47%0.0726%0.26CS..Hα-helixtrans-58-39.8176-71.7-18.1000112.7L84 E91 M92 Q118 L119 M121L84-N88 WeakPolarHBondContact O-CB 3.36Å; L84-N88 PolarHBondContact O-N 3.46Å; L84-N88 PolarHBondContact O-ND2 2.96Å; N88-E91 PolarHBondContact O-N 3.31Å; N88-M92 WeakPolarHBondContact O-CB 3.29Å; N88-M92 PolarHBondContact O-N 3.1Å; N88-Q118 PolarHBondContact ND2-OE1 3.16Å; N88-L119 HydrophobicContact CB-CB 4.26Å; N88-L119 HydrophobicContact CB-CD1 4.31Å; N88-M121 HydrophobicContact CB-CG 4.03Å; N88-M121 HydrophobicContact CB-SD 3.73Å; N88-M121 WeakPolarHBondContact OD1-CG 3.42Å
89A98.8Very high98.6Very high0 Ų050.8 Ų50.80%028%0.276CS..Hα-helixtrans-66-38.4176.500000112.3A53 V57 G85 L86 E87 Q93A53-A89 HydrophobicContact CB-CB 4.26Å; V57-A89 HydrophobicContact CB-CB 4.5Å; V57-A89 HydrophobicContact CG2-CB 3.63Å; G85-A89 WeakPolarHBondContact O-CB 3.27Å; G85-A89 PolarHBondContact O-N 3.02Å; L86-A89 PolarHBondContact O-N 3.43Å; E87-A89 VanDerWaalsContact C-N 3.31Å; E87-A89 PolarHBondContact O-N 3.36Å; A89-Q93 PolarHBondContact O-N 3.08Å; A89-Q93 VanDerWaalsContact O-N 3.12Å
90K98.8Very high98.6Very high113 Ų11351.9 Ų51.949%0.49128%0.281SS..Hα-helixtrans-69.7-37.1173.9-72.1-178.7173.7-171.60112.2V57 L86 E87 Q93 A94V57-K90 HydrophobicContact CG1-CG 4.48Å; V57-K90 HydrophobicContact CG2-CG 3.77Å; L86-K90 WeakPolarHBondContact O-CG 3.39Å; L86-K90 PolarHBondContact O-N 3.35Å; L86-K90 VanDerWaalsContact O-N 3.1Å; E87-K90 WeakPolarHBondContact O-CB 3.31Å; E87-K90 PolarHBondContact O-N 2.85Å; E87-K90 VanDerWaalsContact O-N 3.08Å; K90-Q93 VanDerWaalsContact O-CB 3.27Å; K90-Q93 WeakPolarHBondContact O-CB 3.34Å; K90-Q93 PolarHBondContact O-N 2.85Å; K90-A94 WeakPolarHBondContact O-CB 3.34Å; K90-A94 PolarHBondContact O-N 3.29Å
91E98.8Very high98.6Very high91 Ų9155.2 Ų55.243%0.42529%0.294SS..Hα-helixtrans-66.6-42.6176.5-173.3169.9-158.900111E87 N88 Q93 A94 I95 M121E87-E91 WeakPolarHBondContact O-CB 3.07Å; E87-E91 PolarHBondContact O-N 2.97Å; N88-E91 PolarHBondContact O-N 3.31Å; E91-Q93 VanDerWaalsContact C-N 3.28Å; E91-Q93 PolarHBondContact O-N 2.99Å; E91-A94 PolarHBondContact O-N 2.7Å; E91-A94 VanDerWaalsContact O-N 3.15Å; E91-I95 HydrophobicContact CG-CD1 3.84Å; E91-I95 HydrophobicContact CG-CG1 4.4Å; E91-I95 WeakPolarHBondContact O-CB 3.42Å; E91-I95 VanDerWaalsContact O-CG1 3.26Å; E91-I95 WeakPolarHBondContact O-CG1 3.38Å; E91-I95 PolarHBondContact O-N 2.83Å; E91-M121 HydrophobicContact CB-CE 3.98Å; E91-M121 HydrophobicContact CG-CE 3.92Å
92M98.9Very high98.5Very high0 Ų055.6 Ų55.60%030%0.295CS..Hα-helixtrans-57.3-40.3171.2-178.4173179.800112.5L30 V71 N73 N88 T96 V109 L119 M121 I124 I128L30-M92 HydrophobicContact CD1-CE 3.7Å; V71-M92 HydrophobicContact CB-CE 4.05Å; V71-M92 HydrophobicContact CG1-CE 3.75Å; V71-M92 HydrophobicContact CG1-CG 4.05Å; V71-M92 HydrophobicContact CG2-CE 3.31Å; N73-M92 HydrophobicContact CB-CE 4.05Å; N88-M92 WeakPolarHBondContact O-CB 3.29Å; N88-M92 PolarHBondContact O-N 3.1Å; M92-T96 WeakPolarHBondContact O-CB 3.48Å; M92-T96 PolarHBondContact O-N 2.87Å; M92-T96 VanDerWaalsContact O-N 3.15Å; M92-T96 PolarHBondContact O-OG1 2.91Å; M92-V109 HydrophobicContact CG-CG1 4.48Å; M92-V109 HydrophobicContact SD-CG1 4Å; M92-L119 HydrophobicContact SD-CD1 4.4Å; M92-M121 HydrophobicContact CB-CE 4.06Å; M92-I124 HydrophobicContact CB-CG2 4.3Å; M92-I124 HydrophobicContact CE-CG2 4.5Å; M92-I124 HydrophobicContact CG-CG2 3.86Å; M92-I124 HydrophobicContact SD-CG2 4.18Å; M92-I128 HydrophobicContact CG-CD1 4.28Å
93Q98.8Very high98.6Very high15 Ų1556.3 Ų56.37%0.0729%0.289CS..Hα-helixtrans-61.1-49.7173.5-167.8-173.426.900111.4V57 A89 K90 E91 T96 G97 Q104 V107 V109V57-Q93 HydrophobicContact CG1-CB 4.2Å; V57-Q93 VanDerWaalsContact CG1-CD 3.5Å; V57-Q93 HydrophobicContact CG1-CG 4.25Å; V57-Q93 VanDerWaalsContact CG1-OE1 3.25Å; A89-Q93 PolarHBondContact O-N 3.08Å; A89-Q93 VanDerWaalsContact O-N 3.12Å; K90-Q93 VanDerWaalsContact O-CB 3.27Å; K90-Q93 WeakPolarHBondContact O-CB 3.34Å; K90-Q93 PolarHBondContact O-N 2.85Å; E91-Q93 VanDerWaalsContact C-N 3.28Å; E91-Q93 PolarHBondContact O-N 2.99Å; Q93-T96 PolarHBondContact O-N 3.28Å; Q93-G97 PolarHBondContact O-N 3.07Å; Q93-Q104 VanDerWaalsContact CD-O 3.25Å; Q93-Q104 HydrophobicContact CG-CB 4.45Å; Q93-Q104 WeakPolarHBondContact CG-O 3.44Å; Q93-Q104 PolarHBondContact NE2-O 3.17Å; Q93-V107 HydrophobicContact CG-CB 3.82Å; Q93-V107 HydrophobicContact CG-CG1 4.22Å; Q93-V107 WeakPolarHBondContact CG-O 3.41Å; Q93-V107 PolarHBondContact NE2-O 2.99Å; Q93-V109 HydrophobicContact CB-CG2 3.68Å; Q93-V109 HydrophobicContact CG-CG2 4.03Å
94A98.9Very high98.6Very high28 Ų2851.7 Ų51.723%0.23127%0.27CS..Hα-helixtrans-65.6-43.3-177.700000113.1K90 E91 T96 G97 T98K90-A94 WeakPolarHBondContact O-CB 3.34Å; K90-A94 PolarHBondContact O-N 3.29Å; E91-A94 PolarHBondContact O-N 2.7Å; E91-A94 VanDerWaalsContact O-N 3.15Å; A94-T96 VanDerWaalsContact C-N 3.31Å; A94-T96 PolarHBondContact O-N 3.42Å; A94-G97 PolarHBondContact O-N 3.22Å; A94-T98 WeakPolarHBondContact O-CB 3.41Å; A94-T98 PolarHBondContact O-N 3.16Å; A94-T98 PolarHBondContact O-OG1 3.34Å
95I98.9Very high98.5Very high27 Ų2751.7 Ų51.714%0.13827%0.268CS..Hα-helixtrans-61.2-44.6176.2-67.6163.6000109.6E91 T98 H99 M121 E125 I128E91-I95 HydrophobicContact CG-CD1 3.84Å; E91-I95 HydrophobicContact CG-CG1 4.4Å; E91-I95 WeakPolarHBondContact O-CB 3.42Å; E91-I95 VanDerWaalsContact O-CG1 3.26Å; E91-I95 WeakPolarHBondContact O-CG1 3.38Å; E91-I95 PolarHBondContact O-N 2.83Å; I95-T98 PolarHBondContact O-N 3.37Å; I95-H99 VanDerWaalsContact O-CB 3.3Å; I95-H99 WeakPolarHBondContact O-CB 3.1Å; I95-H99 PolarHBondContact O-N 3.2Å; I95-M121 HydrophobicContact CD1-CE 4Å; I95-E125 HydrophobicContact CD1-CB 3.94Å; I95-E125 HydrophobicContact CD1-CG 4.03Å; I95-E125 HydrophobicContact CG2-CG 4.13Å; I95-I128 HydrophobicContact CB-CD1 4.1Å; I95-I128 HydrophobicContact CG2-CB 3.98Å; I95-I128 HydrophobicContact CG2-CD1 3.71Å; I95-I128 HydrophobicContact CG2-CG1 4.46Å; I95-I128 HydrophobicContact CG2-CG2 3.89Å
96T98.8Very high98.5Very high1 Ų152.7 Ų52.71%0.00628%0.275CS..Hα-helixtrans-62.3-47.3176.9-57.80000111.5V71 M92 Q93 A94 T98 H99 L100 V107 I128V71-T96 HydrophobicContact CB-CG2 4.08Å; V71-T96 HydrophobicContact CG1-CG2 4.42Å; M92-T96 WeakPolarHBondContact O-CB 3.48Å; M92-T96 PolarHBondContact O-N 2.87Å; M92-T96 VanDerWaalsContact O-N 3.15Å; M92-T96 PolarHBondContact O-OG1 2.91Å; Q93-T96 PolarHBondContact O-N 3.28Å; A94-T96 VanDerWaalsContact C-N 3.31Å; A94-T96 PolarHBondContact O-N 3.42Å; T96-T98 VanDerWaalsContact C-N 3.33Å; T96-T98 PolarHBondContact O-N 3.25Å; T96-H99 PolarHBondContact O-N 3.17Å; T96-L100 HydrophobicContact CG2-CD1 3.73Å; T96-L100 HydrophobicContact CG2-CG 4.28Å; T96-L100 WeakPolarHBondContact O-CB 3.32Å; T96-L100 WeakPolarHBondContact O-CG 3.39Å; T96-L100 PolarHBondContact O-N 2.87Å; T96-V107 HydrophobicContact CG2-CG1 3.75Å; T96-V107 HydrophobicContact CG2-CG2 4.29Å; T96-I128 WeakPolarHBondContact OG1-CD1 3.42Å
97G98.6Very high98.5Very high1 Ų149.9 Ų49.91%0.0126%0.26CS..Hα-helixtrans-59.2-44.417800000112.2Q93 A94 L100 N101 I102Q93-G97 PolarHBondContact O-N 3.07Å; A94-G97 PolarHBondContact O-N 3.22Å; G97-L100 PolarHBondContact O-N 3.46Å; G97-N101 WeakPolarHBondContact O-CA 3.39Å; G97-N101 PolarHBondContact O-N 3.24Å; G97-I102 CarbonylContact C-O 3.6Å; G97-I102 VanDerWaalsContact C-O 3.32Å; G97-I102 WeakPolarHBondContact CA-O 3.41Å; G97-I102 PolarHBondContact O-N 3.37Å; G97-I102 VanDerWaalsContact O-O 3.04Å
98T98.7Very high98.5Very high116 Ų11644.5 Ų44.571%0.71224%0.235SC*.Hα-helixtrans-62.3-47.7176.7-57.60000111.6A94 I95 T96 L100 N101A94-T98 WeakPolarHBondContact O-CB 3.41Å; A94-T98 PolarHBondContact O-N 3.16Å; A94-T98 PolarHBondContact O-OG1 3.34Å; I95-T98 PolarHBondContact O-N 3.37Å; T96-T98 VanDerWaalsContact C-N 3.33Å; T96-T98 PolarHBondContact O-N 3.25Å; T98-L100 VanDerWaalsContact C-N 3.33Å; T98-L100 PolarHBondContact O-N 3.35Å; T98-N101 PolarHBondContact O-N 2.67Å
99H98.5Very high98.5Very high71 Ų7143.9 Ų43.933%0.32923%0.232SC..Hα-helixtrans-62.5-40-179.5-176.471.4000112.5I95 T96 N101 I128 S129 I131I95-H99 VanDerWaalsContact O-CB 3.3Å; I95-H99 WeakPolarHBondContact O-CB 3.1Å; I95-H99 PolarHBondContact O-N 3.2Å; T96-H99 PolarHBondContact O-N 3.17Å; H99-N101 VanDerWaalsContact C-N 3.32Å; H99-I128 HydrophobicContact CB-CG2 3.76Å; H99-I128 PolarHBondContact CD2-O 3.14Å; H99-I128 PolarHBondContact CE1-O 2.8Å; H99-I128 PolarHBondContact NE2-O 2.66Å; H99-S129 PolarHBondContact CE1-O 3Å; H99-I131 PolarHBondContact NE2-O 3.43Å
100L97.7Very high98.5Very high22 Ų2244 Ų4412%0.11523%0.233CC..Hα-helixtrans-86.8-1.9179-60.9-178000113.4V32 Y34 A69 T96 G97 T98 I102 L133V32-L100 HydrophobicContact CG1-CD1 4.13Å; Y34-L100 HydrophobicContact CD2-CD1 4Å; A69-L100 HydrophobicContact CB-CD1 3.65Å; T96-L100 HydrophobicContact CG2-CD1 3.73Å; T96-L100 HydrophobicContact CG2-CG 4.28Å; T96-L100 WeakPolarHBondContact O-CB 3.32Å; T96-L100 WeakPolarHBondContact O-CG 3.39Å; T96-L100 PolarHBondContact O-N 2.87Å; G97-L100 PolarHBondContact O-N 3.46Å; T98-L100 VanDerWaalsContact C-N 3.33Å; T98-L100 PolarHBondContact O-N 3.35Å; L100-I102 HydrophobicContact CB-CD1 4.14Å; L100-I102 HydrophobicContact CB-CG1 4.01Å; L100-I102 HydrophobicContact CD1-CD1 4.27Å; L100-I102 PolarHBondContact O-N 3.26Å; L100-L133 HydrophobicContact CD2-CD1 3.48Å; L100-L133 VanDerWaalsContact CD2-CD1 3.48Å; L100-L133 HydrophobicContact CD2-CG 4.09Å
101N97.7Very high98.5Very high152 Ų15238.7 Ų38.781%0.81321%0.21SC*.THydrogen-bonded Turntrans54.346.2-176-171.350.9000113.5G97 T98 H99G97-N101 WeakPolarHBondContact O-CA 3.39Å; G97-N101 PolarHBondContact O-N 3.24Å; T98-N101 PolarHBondContact O-N 2.67Å; H99-N101 VanDerWaalsContact C-N 3.32Å
102I98.3Very high98.4Very high20 Ų2034.8 Ų34.810%0.10319%0.192CC..SBendtrans-129.3160.1176.962.2177.3000110.5Y34 Q68 A69 G97 L100 Q104 V107Y34-I102 HydrophobicContact CE2-CD1 4.48Å; Y34-I102 HydrophobicContact CE2-CG2 4.15Å; Q68-I102 HydrophobicContact CB-CD1 4.12Å; Q68-I102 HydrophobicContact CG-CD1 4.48Å; Q68-I102 HydrophobicContact CG-CG2 4.49Å; Q68-I102 VanDerWaalsContact OE1-CG2 3.27Å; A69-I102 HydrophobicContact CB-CD1 3.7Å; G97-I102 CarbonylContact C-O 3.6Å; G97-I102 VanDerWaalsContact C-O 3.32Å; G97-I102 WeakPolarHBondContact CA-O 3.41Å; G97-I102 PolarHBondContact O-N 3.37Å; G97-I102 VanDerWaalsContact O-O 3.04Å; L100-I102 HydrophobicContact CB-CD1 4.14Å; L100-I102 HydrophobicContact CB-CG1 4.01Å; L100-I102 HydrophobicContact CD1-CD1 4.27Å; L100-I102 PolarHBondContact O-N 3.26Å; I102-Q104 PolarHBondContact O-N 3.3Å; I102-V107 HydrophobicContact CD1-CG2 3.76Å; I102-V107 HydrophobicContact CG1-CG2 4.12Å
103P98.1Very high98.2Very high74 Ų7435 Ų3548%0.48120%0.195SC..  trans-56.7136.4172.8-22.934.3000111.1E105 S106P103-E105 PolarHBondContact O-N 3.39Å; P103-S106 WeakPolarHBondContact O-CB 3.3Å; P103-S106 PolarHBondContact O-N 2.75Å
104Q98Very high98.1Very high79 Ų7935.4 Ų35.437%0.36920%0.198SC..G310 helixtrans-59.6-33.2177.866.9176.6-7.900111.1Q93 I102 S106 V107Q93-Q104 VanDerWaalsContact CD-O 3.25Å; Q93-Q104 HydrophobicContact CG-CB 4.45Å; Q93-Q104 WeakPolarHBondContact CG-O 3.44Å; Q93-Q104 PolarHBondContact NE2-O 3.17Å; I102-Q104 PolarHBondContact O-N 3.3Å; Q104-S106 PolarHBondContact O-N 3.44Å; Q104-V107 WeakPolarHBondContact O-CB 3.41Å; Q104-V107 PolarHBondContact O-N 3.22Å
105E97.5Very high97.9Very high89 Ų8937.5 Ų37.542%0.41621%0.205SC..G310 helixtrans-65.9-20.5179.4-6475.4-163.200112.1A61 P103 V107A61-E105 VanDerWaalsContact CB-O 3.26Å; A61-E105 WeakPolarHBondContact CB-O 3.44Å; P103-E105 PolarHBondContact O-N 3.39Å; E105-V107 VanDerWaalsContact C-N 3.27Å; E105-V107 PolarHBondContact O-N 2.9Å
106S98.3Very high97.9Very high22 Ų2238.5 Ų38.515%0.15422%0.222CC..G310 helixtrans-86.67173.5-53.90000113.3Q68 A69 P103 Q104Q68-S106 PolarHBondContact N-O 2.8Å; A69-S106 PolarHBondContact N-O 3.11Å; A69-S106 VanDerWaalsContact N-O 3.16Å; P103-S106 WeakPolarHBondContact O-CB 3.3Å; P103-S106 PolarHBondContact O-N 2.75Å; Q104-S106 PolarHBondContact O-N 3.44Å
107V98.8Very high97.8Very high0 Ų043.7 Ų43.70%024%0.244CC..EExtended strand (participates in β ladder)trans-107.1120.1177.5-1760000110.2A69 V71 Q93 T96 I102 Q104 E105A69-V107 HydrophobicContact CB-CG1 4.47Å; A69-V107 HydrophobicContact CB-CG2 4.32Å; A69-V107 CarbonylContact O-C 3.59Å; A69-V107 WeakPolarHBondContact O-CA 3.46Å; V71-V107 HydrophobicContact CG1-CG1 4.03Å; Q93-V107 HydrophobicContact CG-CB 3.82Å; Q93-V107 HydrophobicContact CG-CG1 4.22Å; Q93-V107 WeakPolarHBondContact CG-O 3.41Å; Q93-V107 PolarHBondContact NE2-O 2.99Å; T96-V107 HydrophobicContact CG2-CG1 3.75Å; T96-V107 HydrophobicContact CG2-CG2 4.29Å; I102-V107 HydrophobicContact CD1-CG2 3.76Å; I102-V107 HydrophobicContact CG1-CG2 4.12Å; Q104-V107 WeakPolarHBondContact O-CB 3.41Å; Q104-V107 PolarHBondContact O-N 3.22Å; E105-V107 VanDerWaalsContact C-N 3.27Å; E105-V107 PolarHBondContact O-N 2.9Å
108A98.8Very high97.8Very high0 Ų047.2 Ų47.20%026%0.26CS..EExtended strand (participates in β ladder)trans-85144.216700000110.8T58 I67 A69 V70 V71 L228T58-A108 HydrophobicContact CG2-CB 3.69Å; I67-A108 HydrophobicContact CD1-CB 4.34Å; I67-A108 HydrophobicContact CG2-CB 4.07Å; A69-A108 PolarHBondContact O-N 2.7Å; V70-A108 CarbonylContact C-O 3.55Å; V70-A108 WeakPolarHBondContact CA-O 3.33Å; V70-A108 HydrophobicContact CG1-CB 4.25Å; V70-A108 HydrophobicContact CG2-CB 4.3Å; V71-A108 PolarHBondContact N-O 3.41Å; A108-L228 HydrophobicContact CB-CD2 3.61Å
109V98.8Very high97.8Very high1 Ų142 Ų421%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-117.7134.5178.7-173.70000110.4P54 V57 T58 V71 M92 Q93P54-V109 HydrophobicContact CB-CB 4.3Å; P54-V109 HydrophobicContact CB-CG1 3.94Å; V57-V109 HydrophobicContact CG1-CB 4.46Å; V57-V109 HydrophobicContact CG1-CG2 3.97Å; T58-V109 PolarHBondContact OG1-N 2.85Å; T58-V109 PolarHBondContact OG1-O 3.16Å; V71-V109 HydrophobicContact CG1-CB 4.41Å; V71-V109 HydrophobicContact CG1-CG1 4.34Å; V71-V109 HydrophobicContact CG1-CG2 3.98Å; V71-V109 WeakPolarHBondContact O-CA 3.15Å; M92-V109 HydrophobicContact CG-CG1 4.48Å; M92-V109 HydrophobicContact SD-CG1 4Å; Q93-V109 HydrophobicContact CB-CG2 3.68Å; Q93-V109 HydrophobicContact CG-CG2 4.03Å
110A98.7Very high97.8Very high2 Ų240.8 Ų40.82%0.01723%0.227CC..EExtended strand (participates in β ladder)trans-132.9149.2168.900000110.9V71 V72 N73 L186 F188 M226V71-A110 PolarHBondContact O-N 2.96Å; V72-A110 VanDerWaalsContact CA-O 3.29Å; V72-A110 WeakPolarHBondContact CA-O 3.48Å; V72-A110 HydrophobicContact CB-CB 4.47Å; V72-A110 HydrophobicContact CG1-CB 4.05Å; V72-A110 HydrophobicContact CG2-CB 4.06Å; N73-A110 PolarHBondContact N-O 3.36Å; N73-A110 VanDerWaalsContact N-O 3.09Å; N73-A110 PolarHBondContact OD1-O 3.27Å; A110-L186 HydrophobicContact CB-CD1 3.91Å; A110-L186 HydrophobicContact CB-CD2 4.05Å; A110-F188 HydrophobicContact CB-CE1 4.44Å; A110-F188 HydrophobicContact CB-CZ 4.04Å; A110-M226 HydrophobicContact CB-CE 3.63Å
111S98.6Very high97.8Very high1 Ų140.8 Ų40.81%0.00723%0.227CC..EExtended strand (participates in β ladder)trans-136.9151.8176.4-51.60000109.5N73 A77 N224N73-S111 CarbonylContact O-C 3.58Å; N73-S111 WeakPolarHBondContact O-CA 3.32Å; N73-S111 WeakPolarHBondContact OD1-CA 3.4Å; N73-S111 WeakPolarHBondContact OD1-CB 3.26Å; N73-S111 PolarHBondContact OD1-OG 2.91Å; A77-S111 WeakPolarHBondContact O-CB 3.34Å; S111-N224 WeakPolarHBondContact O-CB 3.33Å; S111-N224 PolarHBondContact O-ND2 3.09Å
112T97.3Very high97.9Very high9 Ų941.8 Ų41.86%0.05523%0.226CC..EExtended strand (participates in β ladder)trans-151.2153.7174.2-179.30000111.3N73 S74 G75 I76 T147 K173 L186N73-T112 PolarHBondContact O-N 3.43Å; S74-T112 CarbonylContact C-O 3.47Å; S74-T112 VanDerWaalsContact CA-O 3.22Å; S74-T112 WeakPolarHBondContact CA-O 3.18Å; S74-T112 VanDerWaalsContact CB-CG2 3.48Å; G75-T112 CarbonylContact C-O 3.48Å; G75-T112 PolarHBondContact N-O 3.19Å; I76-T112 CarbonylContact C-O 3.55Å; I76-T112 VanDerWaalsContact C-O 3.26Å; I76-T112 PolarHBondContact N-O 3.45Å; I76-T112 VanDerWaalsContact N-O 3.09Å; T112-T147 HydrophobicContact CG2-CG2 3.81Å; T112-T147 WeakPolarHBondContact OG1-CG2 3.48Å; T112-K173 HydrophobicContact CG2-CD 4.22Å; T112-K173 WeakPolarHBondContact OG1-CE 3.3Å; T112-K173 PolarHBondContact OG1-NZ 3.46Å; T112-L186 HydrophobicContact CG2-CD1 4.19Å
113G95.3Very high97.9Very high6 Ų643.8 Ų43.86%0.06224%0.236CC..EExtended strand (participates in β ladder)trans129.2-139176.500000111.9A77 I115A77-G113 WeakPolarHBondContact CB-O 3.48Å; G113-I115 PolarHBondContact O-N 3.21Å
114V95.1Very high97.9Very high23 Ų2340.2 Ų40.214%0.13921%0.214CC..EExtended strand (participates in β ladder)trans-72.1129.8-174-174.70000111.2G75 A77 K117 Y395G75-V114 PolarHBondContact O-N 3.48Å; A77-V114 PolarHBondContact N-O 3.34Å; V114-K117 HydrophobicContact CB-CD 4.07Å; V114-K117 HydrophobicContact CB-CG 4.45Å; V114-K117 HydrophobicContact CG1-CD 4.02Å; V114-K117 HydrophobicContact CG1-CG 4.13Å; V114-Y395 HydrophobicContact CG2-CE1 4Å
115I96.3Very high98Very high71 Ų7141 Ų4136%0.36422%0.217SC..THydrogen-bonded Turntrans-74.6144.9173.9-63.1176.8000110.1A77 A79 C80 G113 T223A77-I115 HydrophobicContact CB-CG1 4.19Å; A79-I115 HydrophobicContact CB-CG1 4.17Å; A79-I115 HydrophobicContact CB-CG2 4.08Å; C80-I115 HydrophobicContact CB-CG2 4.07Å; G113-I115 PolarHBondContact O-N 3.21Å; I115-T223 HydrophobicContact CD1-CG2 4.01Å
116G97.3Very high98Very high49 Ų4939.2 Ų39.251%0.50522%0.218SC..THydrogen-bonded Turntrans84.33.3174.700000115.5A79A79-G116 WeakPolarHBondContact O-CA 3.36Å; A79-G116 PolarHBondContact O-N 2.95Å
117K97.5Very high98Very high109 Ų10938.3 Ų38.347%0.47421%0.211SC..PPolyproline II helixtrans-98.8136173.2-68.1-170.7179.9178.80111.2I76 T81 V114I76-K117 HydrophobicContact CG1-CB 4.32Å; I76-K117 HydrophobicContact CG2-CB 3.92Å; I76-K117 WeakPolarHBondContact CG2-O 3.27Å; T81-K117 WeakPolarHBondContact CG2-O 3.15Å; V114-K117 HydrophobicContact CB-CD 4.07Å; V114-K117 HydrophobicContact CB-CG 4.45Å; V114-K117 HydrophobicContact CG1-CD 4.02Å; V114-K117 HydrophobicContact CG1-CG 4.13Å
118Q98.3Very high98Very high75 Ų7538.3 Ų38.335%0.3521%0.211SC..PPolyproline II helixtrans-72.7149.7171.9-67.1-64.6-4.200111.1T81 L84 N88T81-Q118 PolarHBondContact O-NE2 2.88Å; L84-Q118 HydrophobicContact CD2-CG 4.23Å; N88-Q118 PolarHBondContact ND2-OE1 3.16Å
119L98.6Very high97.9Very high6 Ų641.6 Ų41.63%0.03123%0.234CC..PPolyproline II helixtrans-71.8126170.7-66.4175.7000109.7N73 I76 N78 N88 M92 M121N73-L119 WeakPolarHBondContact ND2-CD2 3.42Å; I76-L119 HydrophobicContact CB-CD2 4.03Å; I76-L119 HydrophobicContact CG2-CD2 3.77Å; N78-L119 HydrophobicContact CB-CD1 4.06Å; N78-L119 HydrophobicContact CB-CD2 4.25Å; N78-L119 HydrophobicContact CB-CG 3.96Å; N78-L119 WeakPolarHBondContact ND2-CD1 3.23Å; N88-L119 HydrophobicContact CB-CB 4.26Å; N88-L119 HydrophobicContact CB-CD1 4.31Å; M92-L119 HydrophobicContact SD-CD1 4.4Å; L119-M121 HydrophobicContact CB-SD 3.87Å; L119-M121 HydrophobicContact CD1-SD 4.44Å; L119-M121 PolarHBondContact O-N 3.11Å
120P98.4Very high97.8Very high46 Ų4647.3 Ų47.330%0.29927%0.265SS..  trans-76.391.2172.230.7-32.5000109.1L23 I76 E122 I123 I124L23-P120 HydrophobicContact CD2-CG 3.45Å; L23-P120 VanDerWaalsContact CD2-CG 3.45Å; I76-P120 HydrophobicContact CD1-CG 4.33Å; P120-E122 VanDerWaalsContact C-N 3.31Å; P120-E122 PolarHBondContact O-N 3.23Å; P120-I123 HydrophobicContact CB-CB 4.21Å; P120-I123 HydrophobicContact CB-CD1 3.87Å; P120-I123 HydrophobicContact CB-CG1 4.1Å; P120-I123 HydrophobicContact CG-CB 4.08Å; P120-I123 HydrophobicContact CG-CD1 3.91Å; P120-I123 HydrophobicContact CG-CG1 4.33Å; P120-I123 WeakPolarHBondContact O-CB 3.41Å; P120-I123 PolarHBondContact O-N 2.94Å; P120-I124 PolarHBondContact O-N 2.82Å; P120-I124 VanDerWaalsContact O-N 3.09Å
121M98.7Very high97.7Very high23 Ų2347.6 Ų47.611%0.11327%0.266CS..Hα-helixtrans-61.6-33.3-169.2-69.9-50.6-5800114.2N88 E91 M92 I95 L119 I123 I124 E125N88-M121 HydrophobicContact CB-CG 4.03Å; N88-M121 HydrophobicContact CB-SD 3.73Å; N88-M121 WeakPolarHBondContact OD1-CG 3.42Å; E91-M121 HydrophobicContact CB-CE 3.98Å; E91-M121 HydrophobicContact CG-CE 3.92Å; M92-M121 HydrophobicContact CB-CE 4.06Å; I95-M121 HydrophobicContact CD1-CE 4Å; L119-M121 HydrophobicContact CB-SD 3.87Å; L119-M121 HydrophobicContact CD1-SD 4.44Å; L119-M121 PolarHBondContact O-N 3.11Å; M121-I123 VanDerWaalsContact C-N 3.27Å; M121-I123 PolarHBondContact O-N 2.84Å; M121-I124 HydrophobicContact CE-CB 4.24Å; M121-I124 HydrophobicContact CE-CG2 4.04Å; M121-I124 PolarHBondContact O-N 3.36Å; M121-I124 HydrophobicContact SD-CB 4.41Å; M121-I124 HydrophobicContact SD-CG1 4.4Å; M121-E125 WeakPolarHBondContact O-CB 3.12Å; M121-E125 PolarHBondContact O-N 2.82Å
122E98.6Very high97.3Very high172 Ų17250.5 Ų50.580%0.80428%0.282SS*.Hα-helixtrans-59.3-38.7173.7-63.5176.6-179.900112.2P120 A126P120-E122 VanDerWaalsContact C-N 3.31Å; P120-E122 PolarHBondContact O-N 3.23Å; E122-A126 WeakPolarHBondContact O-CB 3.22Å; E122-A126 PolarHBondContact O-N 2.85Å; E122-A126 VanDerWaalsContact O-N 3.11Å
123I98.7Very high96.9Very high62 Ų6251.8 Ų51.832%0.31829%0.288SS..Hα-helixtrans-71.5-42177.2-62.2-179.1000110.2A21 L23 P120 M121 G127A21-I123 HydrophobicContact CB-CG2 4.22Å; A21-I123 WeakPolarHBondContact O-CG2 3.16Å; L23-I123 HydrophobicContact CD2-CB 4.49Å; L23-I123 HydrophobicContact CD2-CG2 3.96Å; P120-I123 HydrophobicContact CB-CB 4.21Å; P120-I123 HydrophobicContact CB-CD1 3.87Å; P120-I123 HydrophobicContact CB-CG1 4.1Å; P120-I123 HydrophobicContact CG-CB 4.08Å; P120-I123 HydrophobicContact CG-CD1 3.91Å; P120-I123 HydrophobicContact CG-CG1 4.33Å; P120-I123 WeakPolarHBondContact O-CB 3.41Å; P120-I123 PolarHBondContact O-N 2.94Å; M121-I123 VanDerWaalsContact C-N 3.27Å; M121-I123 PolarHBondContact O-N 2.84Å; I123-G127 PolarHBondContact O-N 3.45Å
124I98.8Very high96.7Very high0 Ų059.9 Ų59.90%032%0.324CS..Hα-helixtrans-62.4-47.5177.2-66-69.9000110.6L23 L30 N73 M92 P120 M121 G127 I128L23-I124 HydrophobicContact CD1-CD1 3.61Å; L23-I124 HydrophobicContact CD2-CD1 3.94Å; L23-I124 HydrophobicContact CD2-CG1 4.4Å; L23-I124 HydrophobicContact CG-CD1 4.27Å; L30-I124 HydrophobicContact CD1-CD1 4.31Å; N73-I124 HydrophobicContact CB-CD1 4.11Å; M92-I124 HydrophobicContact CB-CG2 4.3Å; M92-I124 HydrophobicContact CE-CG2 4.5Å; M92-I124 HydrophobicContact CG-CG2 3.86Å; M92-I124 HydrophobicContact SD-CG2 4.18Å; P120-I124 PolarHBondContact O-N 2.82Å; P120-I124 VanDerWaalsContact O-N 3.09Å; M121-I124 HydrophobicContact CE-CB 4.24Å; M121-I124 HydrophobicContact CE-CG2 4.04Å; M121-I124 PolarHBondContact O-N 3.36Å; M121-I124 HydrophobicContact SD-CB 4.41Å; M121-I124 HydrophobicContact SD-CG1 4.4Å; I124-G127 PolarHBondContact O-N 2.81Å; I124-I128 HydrophobicContact CG2-CD1 3.67Å; I124-I128 HydrophobicContact CG2-CG1 4.36Å; I124-I128 WeakPolarHBondContact O-CG1 3.36Å; I124-I128 PolarHBondContact O-N 2.95Å
125E98.7Very high96.3Very high96 Ų9666.4 Ų66.445%0.44935%0.35SS..Hα-helixtrans-60.4-51.5179.7-173.8177.7-174.800111.1I95 M121 G127 I128 S129I95-E125 HydrophobicContact CD1-CB 3.94Å; I95-E125 HydrophobicContact CD1-CG 4.03Å; I95-E125 HydrophobicContact CG2-CG 4.13Å; M121-E125 WeakPolarHBondContact O-CB 3.12Å; M121-E125 PolarHBondContact O-N 2.82Å; E125-G127 VanDerWaalsContact C-N 3.26Å; E125-G127 PolarHBondContact O-N 3.33Å; E125-I128 PolarHBondContact O-N 2.9Å; E125-I128 VanDerWaalsContact O-N 3.16Å; E125-S129 PolarHBondContact O-N 3.14Å; E125-S129 PolarHBondContact O-OG 2.71Å
126A98.6Very high95.9Very high51 Ų5165.3 Ų65.342%0.42135%0.348SS..Hα-helixtrans-59.5-38.417600000112E122 N130E122-A126 WeakPolarHBondContact O-CB 3.22Å; E122-A126 PolarHBondContact O-N 2.85Å; E122-A126 VanDerWaalsContact O-N 3.11Å; A126-N130 PolarHBondContact O-N 2.69Å; A126-N130 PolarHBondContact O-ND2 2.77Å
127G98.4Very high95.9Very high2 Ų268 Ų682%0.02135%0.347CS..Hα-helixtrans-60.6-51173.300000112.1L19 L30 I123 I124 E125 S129 N130L19-G127 WeakPolarHBondContact CD2-O 3.08Å; L30-G127 VanDerWaalsContact CD2-C 3.49Å; I123-G127 PolarHBondContact O-N 3.45Å; I124-G127 PolarHBondContact O-N 2.81Å; E125-G127 VanDerWaalsContact C-N 3.26Å; E125-G127 PolarHBondContact O-N 3.33Å; G127-S129 PolarHBondContact O-N 2.98Å; G127-N130 PolarHBondContact O-N 2.92Å; G127-N130 VanDerWaalsContact O-N 3.16Å
128I98.6Very high95.9Very high1 Ų164.4 Ų64.41%0.00534%0.335CS..Hα-helixtrans-62.2-43179.7-66.5164.3000110.7L30 M92 I95 T96 H99 I124 E125 N130 I131L30-I128 HydrophobicContact CD2-CG1 3.93Å; M92-I128 HydrophobicContact CG-CD1 4.28Å; I95-I128 HydrophobicContact CB-CD1 4.1Å; I95-I128 HydrophobicContact CG2-CB 3.98Å; I95-I128 HydrophobicContact CG2-CD1 3.71Å; I95-I128 HydrophobicContact CG2-CG1 4.46Å; I95-I128 HydrophobicContact CG2-CG2 3.89Å; T96-I128 WeakPolarHBondContact OG1-CD1 3.42Å; H99-I128 HydrophobicContact CB-CG2 3.76Å; H99-I128 PolarHBondContact CD2-O 3.14Å; H99-I128 PolarHBondContact CE1-O 2.8Å; H99-I128 PolarHBondContact NE2-O 2.66Å; I124-I128 HydrophobicContact CG2-CD1 3.67Å; I124-I128 HydrophobicContact CG2-CG1 4.36Å; I124-I128 WeakPolarHBondContact O-CG1 3.36Å; I124-I128 PolarHBondContact O-N 2.95Å; E125-I128 PolarHBondContact O-N 2.9Å; E125-I128 VanDerWaalsContact O-N 3.16Å; I128-N130 PolarHBondContact O-N 3.22Å; I128-N130 VanDerWaalsContact O-N 3.11Å; I128-I131 VanDerWaalsContact O-CB 3.26Å; I128-I131 WeakPolarHBondContact O-CB 3.18Å; I128-I131 PolarHBondContact O-N 2.9Å
129S97.6Very high95.9Very high68 Ų6865.6 Ų65.648%0.47634%0.337SS..Hα-helixtrans-60.5-22.6178-61.50000113.9H99 E125 G127H99-S129 PolarHBondContact CE1-O 3Å; E125-S129 PolarHBondContact O-N 3.14Å; E125-S129 PolarHBondContact O-OG 2.71Å; G127-S129 PolarHBondContact O-N 2.98Å
130N96.7Very high95.9Very high121 Ų12165.3 Ų65.365%0.64734%0.336SS*.THydrogen-bonded Turntrans-89.10.1176.8-71.7-41.2000113.7L19 A126 G127 I128 D132L19-N130 HydrophobicContact CD2-CB 3.94Å; A126-N130 PolarHBondContact O-N 2.69Å; A126-N130 PolarHBondContact O-ND2 2.77Å; G127-N130 PolarHBondContact O-N 2.92Å; G127-N130 VanDerWaalsContact O-N 3.16Å; I128-N130 PolarHBondContact O-N 3.22Å; I128-N130 VanDerWaalsContact O-N 3.11Å; N130-D132 PolarHBondContact O-N 2.73Å
131I95Very high95.9Very high8 Ų863.1 Ų63.14%0.04132%0.321CS..  trans-74.5112.9175.6-68.1-179.2000109T17 L19 L30 V32 H99 I128 L133T17-I131 HydrophobicContact CG2-CG2 3.69Å; L19-I131 HydrophobicContact CD2-CG1 3.85Å; L30-I131 HydrophobicContact CD2-CD1 4.42Å; V32-I131 HydrophobicContact CB-CD1 4.07Å; V32-I131 HydrophobicContact CG2-CD1 3.36Å; H99-I131 PolarHBondContact NE2-O 3.43Å; I128-I131 VanDerWaalsContact O-CB 3.26Å; I128-I131 WeakPolarHBondContact O-CB 3.18Å; I128-I131 PolarHBondContact O-N 2.9Å; I131-L133 HydrophobicContact CG2-CD2 4.19Å; I131-L133 HydrophobicContact CG2-CG 4.41Å
132D91.2Very high95.9Very high63 Ų6362 Ų6234%0.33732%0.316SS..  trans-107.4108.4176-176.9-1.2000110N130 E134 K135N130-D132 PolarHBondContact O-N 2.73Å; D132-E134 VanDerWaalsContact C-N 3.34Å; D132-E134 WeakPolarHBondContact OD1-CA 3.4Å; D132-E134 VanDerWaalsContact OD1-CB 3.29Å; D132-E134 WeakPolarHBondContact OD1-CB 3.45Å; D132-E134 PolarHBondContact OD1-N 2.97Å; D132-K135 CarbonylContact O-C 3.51Å
133L89Confident95.9Very high35 Ų3557.2 Ų57.218%0.18329%0.293CS..SBendtrans-82.5-9.1176.7-66.6-172.2000113.5T17 Y34 L100 I131 P136T17-L133 HydrophobicContact CG2-CD2 4.38Å; Y34-L133 HydrophobicContact CD1-CD1 3.5Å; Y34-L133 HydrophobicContact CD2-CD1 4.22Å; Y34-L133 HydrophobicContact CE1-CD1 4.15Å; Y34-L133 HydrophobicContact CG-CD1 3.54Å; L100-L133 HydrophobicContact CD2-CD1 3.48Å; L100-L133 VanDerWaalsContact CD2-CD1 3.48Å; L100-L133 HydrophobicContact CD2-CG 4.09Å; I131-L133 HydrophobicContact CG2-CD2 4.19Å; I131-L133 HydrophobicContact CG2-CG 4.41Å; L133-P136 WeakPolarHBondContact O-CD 3.34Å
134E89.9Confident95.9Very high177 Ų17754.2 Ų54.283%0.82728%0.278SS*.SBendtrans-74.7-20.5170.1-57.3-171.4159.500111.2D132 P136D132-E134 VanDerWaalsContact C-N 3.34Å; D132-E134 WeakPolarHBondContact OD1-CA 3.4Å; D132-E134 VanDerWaalsContact OD1-CB 3.29Å; D132-E134 WeakPolarHBondContact OD1-CB 3.45Å; D132-E134 PolarHBondContact OD1-N 2.97Å; E134-P136 VanDerWaalsContact C-CD 3.48Å
135K88.1Confident95.8Very high159 Ų15954.2 Ų54.269%0.69128%0.278SS*.SBendtrans-128.662.8176.3-63.6175.1-169.6157.80111D132D132-K135 CarbonylContact O-C 3.51Å
136P88.1Confident95.8Very high49 Ų4950.7 Ų50.732%0.31826%0.262SS..  trans-66.5140.8-176.331.8-36.6000110.5Y15 L133 E134 P138Y15-P136 HydrophobicContact CD1-CB 4.39Å; Y15-P136 HydrophobicContact CD1-CG 4.08Å; L133-P136 WeakPolarHBondContact O-CD 3.34Å; E134-P136 VanDerWaalsContact C-CD 3.48Å; P136-P138 HydrophobicContact CB-CG 4.5Å; P136-P138 WeakPolarHBondContact O-CD 3.18Å
137E95.5Very high95.6Very high105 Ų10549.6 Ų49.649%0.49125%0.251SS..  trans-117.480.9168-169.3-176.2174.500108.6A16 T17 Y139 A140A16-E137 CarbonylContact O-C 3.57Å; A16-E137 PolarHBondContact O-N 2.81Å; T17-E137 WeakPolarHBondContact CA-O 3.32Å; E137-Y139 VanDerWaalsContact C-N 3.25Å; E137-Y139 PolarHBondContact O-N 2.91Å; E137-Y139 VanDerWaalsContact O-N 3.13Å; E137-A140 HydrophobicContact CB-CB 3.94Å; E137-A140 HydrophobicContact CG-CB 3.78Å; E137-A140 WeakPolarHBondContact O-CA 3.49Å; E137-A140 WeakPolarHBondContact O-CB 3.34Å; E137-A140 PolarHBondContact O-N 3.11Å
138P97.8Very high95.3Very high33 Ų3351.7 Ų51.721%0.21426%0.263CS..Hα-helixtrans-59.7-32.3-168.8-30.338.4000115.3T7 A9 A16 P136 A140 F141T7-P138 HydrophobicContact CG2-CB 3.99Å; T7-P138 WeakPolarHBondContact OG1-CB 3.39Å; A9-P138 HydrophobicContact CB-CB 3.73Å; A9-P138 HydrophobicContact CB-CG 3.79Å; A16-P138 HydrophobicContact CB-CB 4.21Å; A16-P138 WeakPolarHBondContact O-CA 3.39Å; P136-P138 HydrophobicContact CB-CG 4.5Å; P136-P138 WeakPolarHBondContact O-CD 3.18Å; P138-A140 VanDerWaalsContact C-N 3.26Å; P138-A140 PolarHBondContact O-N 3.45Å; P138-F141 WeakPolarHBondContact O-CB 3.35Å; P138-F141 PolarHBondContact O-N 3.3Å
139Y98.3Very high95.2Very high100 Ų10052 Ų5239%0.39226%0.264SS..Hα-helixtrans-67.6-28.2176-166.3-103.3000112.1E137 F141 H142 E143 T152E137-Y139 VanDerWaalsContact C-N 3.25Å; E137-Y139 PolarHBondContact O-N 2.91Å; E137-Y139 VanDerWaalsContact O-N 3.13Å; Y139-F141 PolarHBondContact O-N 2.96Å; Y139-H142 AromaticContact CD2-ND1 3.41Å; Y139-H142 WeakPolarHBondContact CD2-ND1 3.27Å; Y139-H142 AromaticContact CE2-ND1 3.71Å; Y139-H142 WeakPolarHBondContact O-CA 3.45Å; Y139-H142 VanDerWaalsContact O-CB 3.22Å; Y139-H142 WeakPolarHBondContact O-CB 3.14Å; Y139-H142 PolarHBondContact O-N 2.87Å; Y139-E143 HydrophobicContact CD1-CG 4.38Å; Y139-E143 HydrophobicContact CE1-CG 4.24Å; Y139-E143 PolarHBondContact O-N 3.19Å; Y139-T152 PolarHBondContact OH-OG1 2.67Å
140A98.4Very high95.1Very high0 Ų054.2 Ų54.20%028%0.275CS..Hα-helixtrans-64.8-26.4175.800000113G18 K28 E137 P138 H142 E143 A144G18-A140 VanDerWaalsContact O-CB 3.29Å; G18-A140 WeakPolarHBondContact O-CB 3.49Å; K28-A140 HydrophobicContact CD-CB 3.75Å; E137-A140 HydrophobicContact CB-CB 3.94Å; E137-A140 HydrophobicContact CG-CB 3.78Å; E137-A140 WeakPolarHBondContact O-CA 3.49Å; E137-A140 WeakPolarHBondContact O-CB 3.34Å; E137-A140 PolarHBondContact O-N 3.11Å; P138-A140 VanDerWaalsContact C-N 3.26Å; P138-A140 PolarHBondContact O-N 3.45Å; A140-H142 VanDerWaalsContact C-N 3.31Å; A140-E143 PolarHBondContact O-N 2.98Å; A140-A144 VanDerWaalsContact O-CB 3.29Å; A140-A144 WeakPolarHBondContact O-CB 3.47Å; A140-A144 PolarHBondContact O-N 2.77Å
141F98.7Very high95.1Very high0 Ų050.9 Ų50.90%027%0.265CS..Hα-helixtrans-61.6-42.5169.6179.1-94.7000111.1I8 A16 V32 I33 V72 P138 Y139 E143 A144 I145 V171 F188I8-F141 HydrophobicContact CG2-CD1 3.84Å; I8-F141 HydrophobicContact CG2-CG 4.39Å; A16-F141 HydrophobicContact CB-CB 3.97Å; A16-F141 HydrophobicContact CB-CG 4.36Å; V32-F141 WeakPolarHBondContact O-CD2 2.93Å; I33-F141 HydrophobicContact CD1-CD1 4.31Å; I33-F141 HydrophobicContact CD1-CE1 3.59Å; I33-F141 HydrophobicContact CD1-CE2 4.16Å; I33-F141 HydrophobicContact CD1-CZ 3.49Å; I33-F141 VanDerWaalsContact CD1-CZ 3.49Å; I33-F141 HydrophobicContact CG1-CD1 4.13Å; I33-F141 HydrophobicContact CG1-CD2 4.04Å; I33-F141 HydrophobicContact CG1-CE1 3.8Å; I33-F141 HydrophobicContact CG1-CE2 3.7Å; I33-F141 HydrophobicContact CG1-CG 4.25Å; I33-F141 HydrophobicContact CG1-CZ 3.56Å; V72-F141 HydrophobicContact CB-CE2 4.33Å; V72-F141 HydrophobicContact CG2-CE2 3.92Å; V72-F141 HydrophobicContact CG2-CZ 3.86Å; P138-F141 WeakPolarHBondContact O-CB 3.35Å; P138-F141 PolarHBondContact O-N 3.3Å; Y139-F141 PolarHBondContact O-N 2.96Å; F141-E143 VanDerWaalsContact C-N 3.27Å; F141-E143 PolarHBondContact O-N 2.97Å; F141-A144 PolarHBondContact O-N 3.2Å; F141-A144 VanDerWaalsContact O-N 3.16Å; F141-I145 HydrophobicContact CD1-CG2 4.44Å; F141-I145 HydrophobicContact CD2-CG2 4.49Å; F141-I145 HydrophobicContact CE1-CD1 4.31Å; F141-I145 HydrophobicContact CE1-CG2 3.93Å; F141-I145 HydrophobicContact CE2-CG2 3.98Å; F141-I145 HydrophobicContact CZ-CG2 3.67Å; F141-I145 PolarHBondContact O-N 3Å; F141-V171 HydrophobicContact CD1-CG1 4.07Å; F141-V171 HydrophobicContact CE1-CG1 3.71Å; F141-F188 AromaticContact CE1-CD2 3.88Å; F141-F188 HydrophobicContact CE1-CD2 3.88Å; F141-F188 HydrophobicContact CE1-CE2 4.37Å; F141-F188 AromaticContact CZ-CD2 3.86Å; F141-F188 HydrophobicContact CZ-CD2 3.86Å; F141-F188 HydrophobicContact CZ-CE2 4.01Å; F141-F188 HydrophobicContact CZ-CG 4.44Å
142H98.7Very high95.3Very high1 Ų151.5 Ų51.51%0.00527%0.269CS..Hα-helixtrans-59.9-41.3-179.7-55.6-178.6000110.9I8 Y139 A140 I145 L146 T152 E154 V171I8-H142 PolarHBondContact N-NE2 2.77Å; I8-H142 VanDerWaalsContact N-NE2 3.15Å; Y139-H142 AromaticContact CD2-ND1 3.41Å; Y139-H142 WeakPolarHBondContact CD2-ND1 3.27Å; Y139-H142 AromaticContact CE2-ND1 3.71Å; Y139-H142 WeakPolarHBondContact O-CA 3.45Å; Y139-H142 VanDerWaalsContact O-CB 3.22Å; Y139-H142 WeakPolarHBondContact O-CB 3.14Å; Y139-H142 PolarHBondContact O-N 2.87Å; A140-H142 VanDerWaalsContact C-N 3.31Å; H142-I145 WeakPolarHBondContact O-CG1 3.3Å; H142-L146 WeakPolarHBondContact O-CG 3.38Å; H142-T152 HydrophobicContact CB-CG2 3.74Å; H142-E154 VanDerWaalsContact CE1-CB 3.48Å; H142-E154 WeakPolarHBondContact CE1-CB 3.39Å; H142-V171 HydrophobicContact CB-CG2 4.07Å; H142-V171 VanDerWaalsContact CD2-CG2 3.47Å; H142-V171 WeakPolarHBondContact CD2-CG2 3.23Å
143E98.7Very high95.6Very high70 Ų7048.7 Ų48.733%0.32725%0.254SS..Hα-helixtrans-70.2-38.9176.1-61179.3113.800112.5K28 Y139 A140 F141 I145 L146 T152K28-E143 HydrophobicContact CD-CB 4.25Å; K28-E143 IonicContact NZ-OE2 2.71Å; K28-E143 PolarHBondContact NZ-OE2 3.11Å; Y139-E143 HydrophobicContact CD1-CG 4.38Å; Y139-E143 HydrophobicContact CE1-CG 4.24Å; Y139-E143 PolarHBondContact O-N 3.19Å; A140-E143 PolarHBondContact O-N 2.98Å; F141-E143 VanDerWaalsContact C-N 3.27Å; F141-E143 PolarHBondContact O-N 2.97Å; E143-I145 VanDerWaalsContact C-N 3.3Å; E143-I145 PolarHBondContact O-N 3.04Å; E143-L146 PolarHBondContact O-N 2.81Å; E143-T152 HydrophobicContact CG-CG2 4.27Å
144A98.5Very high96Very high0 Ų049 Ų490%025%0.254CS..Hα-helixtrans-66.8-27.2-173.600000113.7K28 L30 S74 A140 F141K28-A144 HydrophobicContact CB-CB 3.92Å; L30-A144 WeakPolarHBondContact O-CB 3.41Å; S74-A144 WeakPolarHBondContact CB-O 3.47Å; S74-A144 PolarHBondContact OG-O 2.88Å; A140-A144 VanDerWaalsContact O-CB 3.29Å; A140-A144 WeakPolarHBondContact O-CB 3.47Å; A140-A144 PolarHBondContact O-N 2.77Å; F141-A144 PolarHBondContact O-N 3.2Å; F141-A144 VanDerWaalsContact O-N 3.16Å
145I98.3Very high96.5Very high0 Ų041.1 Ų41.10%022%0.218CC..THydrogen-bonded Turntrans-85.2-12.3-178.865.6166.8000113.7V72 F141 H142 E143 V171 K173 F188V72-I145 HydrophobicContact CB-CG2 3.88Å; V72-I145 HydrophobicContact CG1-CB 4.32Å; V72-I145 HydrophobicContact CG1-CG2 3.64Å; V72-I145 HydrophobicContact CG2-CG2 4.35Å; F141-I145 HydrophobicContact CD1-CG2 4.44Å; F141-I145 HydrophobicContact CD2-CG2 4.49Å; F141-I145 HydrophobicContact CE1-CD1 4.31Å; F141-I145 HydrophobicContact CE1-CG2 3.93Å; F141-I145 HydrophobicContact CE2-CG2 3.98Å; F141-I145 HydrophobicContact CZ-CG2 3.67Å; F141-I145 PolarHBondContact O-N 3Å; H142-I145 WeakPolarHBondContact O-CG1 3.3Å; E143-I145 VanDerWaalsContact C-N 3.3Å; E143-I145 PolarHBondContact O-N 3.04Å; I145-V171 HydrophobicContact CD1-CG1 4.48Å; I145-V171 HydrophobicContact CD1-CG2 4.11Å; I145-K173 HydrophobicContact CB-CG 4.13Å; I145-K173 HydrophobicContact CD1-CB 3.9Å; I145-K173 HydrophobicContact CD1-CG 3.88Å; I145-K173 HydrophobicContact CG1-CB 3.96Å; I145-K173 HydrophobicContact CG1-CG 4.04Å; I145-K173 WeakPolarHBondContact O-CE 3.14Å; I145-K173 WeakPolarHBondContact O-CG 3.12Å; I145-F188 HydrophobicContact CD1-CD2 4.35Å; I145-F188 HydrophobicContact CD1-CE2 4.27Å; I145-F188 HydrophobicContact CG2-CE2 4.45Å
146L97.2Very high97Very high21 Ų2133.7 Ų33.711%0.1119%0.185CC..  trans-67.3154-173.9-59.4178.8000112.9K24 S74 H142 E143 D149 T152 K173K24-L146 WeakPolarHBondContact CE-O 3.33Å; K24-L146 PolarHBondContact NZ-O 3.14Å; S74-L146 PolarHBondContact OG-O 2.97Å; H142-L146 WeakPolarHBondContact O-CG 3.38Å; E143-L146 PolarHBondContact O-N 2.81Å; L146-D149 HydrophobicContact CB-CB 4.11Å; L146-D149 HydrophobicContact CD2-CB 3.68Å; L146-D149 HydrophobicContact CG-CB 4.3Å; L146-T152 HydrophobicContact CD1-CG2 4.03Å; L146-K173 HydrophobicContact CD2-CB 4.19Å
147T94.2Very high97.5Very high29 Ų2931.3 Ų31.318%0.17817%0.17CC..SBendtrans-119.4-104.317441.60000110.7T112 D149 K173T112-T147 HydrophobicContact CG2-CG2 3.81Å; T112-T147 WeakPolarHBondContact OG1-CG2 3.48Å; T147-D149 VanDerWaalsContact C-N 3.28Å; T147-D149 PolarHBondContact N-OD2 3.5Å; T147-D149 PolarHBondContact OG1-OD2 3.31Å; T147-K173 VanDerWaalsContact OG1-CE 3.31Å; T147-K173 WeakPolarHBondContact OG1-CE 3.06Å; T147-K173 PolarHBondContact OG1-NZ 3.38Å
148T93.6Very high97.7Very high46 Ų4627 Ų2728%0.28215%0.151SC..SBendtrans-88.21172.844.50000112.6S175 E270 V391 Y395T148-S175 PolarHBondContact OG1-OG 2.88Å; T148-E270 WeakPolarHBondContact CB-OE1 3.36Å; T148-E270 WeakPolarHBondContact CG2-OE1 3.26Å; T148-E270 PolarHBondContact OG1-OE1 3.38Å; T148-V391 HydrophobicContact CG2-CG1 4.47Å; T148-Y395 HydrophobicContact CG2-CD2 4.15Å; T148-Y395 HydrophobicContact CG2-CE2 3.69Å
149D95.9Very high97.7Very high6 Ų626.7 Ų26.73%0.03215%0.147CC..  trans-46.7139.5172-55-117.8000111.6L146 T147 K153 K173 G174 S175 D268L146-D149 HydrophobicContact CB-CB 4.11Å; L146-D149 HydrophobicContact CD2-CB 3.68Å; L146-D149 HydrophobicContact CG-CB 4.3Å; T147-D149 VanDerWaalsContact C-N 3.28Å; T147-D149 PolarHBondContact N-OD2 3.5Å; T147-D149 PolarHBondContact OG1-OD2 3.31Å; D149-K153 IonicContact OD1-NZ 2.68Å; D149-K153 PolarHBondContact OD1-NZ 3.04Å; D149-K173 WeakPolarHBondContact OD1-CA 3.28Å; D149-G174 PolarHBondContact OD1-N 3.09Å; D149-S175 PolarHBondContact N-OG 2.8Å; D149-S175 VanDerWaalsContact N-OG 3.15Å; D149-D268 WeakPolarHBondContact CA-OD2 3.1Å
150T95.6Very high97.7Very high115 Ų11528.2 Ų28.271%0.70616%0.157SC*.SBendtrans-90.2-19.7176.6790000112.5D268T150-D268 VanDerWaalsContact CB-OD1 3.24Å; T150-D268 WeakPolarHBondContact CB-OD1 3.47Å; T150-D268 WeakPolarHBondContact CG2-OD1 3.49Å; T150-D268 PolarHBondContact N-OD1 2.84Å; T150-D268 PolarHBondContact N-OD2 3.41Å; T150-D268 PolarHBondContact OG1-OD1 3.38Å
151A96.4Very high97.7Very high51 Ų5128.2 Ų28.242%0.42116%0.157SC..SBendtrans-151.3160.7178.300000113.2K153A151-K153 PolarHBondContact O-NZ 2.76Å
152T98.4Very high97.6Very high22 Ų2231.8 Ų31.814%0.13518%0.176CC..  trans-66.9154.4168.262.90000110.8Y139 H142 E143 L146 E154Y139-T152 PolarHBondContact OH-OG1 2.67Å; H142-T152 HydrophobicContact CB-CG2 3.74Å; E143-T152 HydrophobicContact CG-CG2 4.27Å; L146-T152 HydrophobicContact CD1-CG2 4.03Å; T152-E154 WeakPolarHBondContact CB-OE2 3.33Å; T152-E154 PolarHBondContact OG1-OE1 3.24Å; T152-E154 PolarHBondContact OG1-OE2 3.41Å
153K98.1Very high97.5Very high3 Ų334.2 Ų34.21%0.01320%0.202CC..EExtended strand (participates in β ladder)trans-133.796-177.9-51.3166.4-175.864.80109D149 A151 V171 A172 G174 L261 K264 I265 D268D149-K153 IonicContact OD1-NZ 2.68Å; D149-K153 PolarHBondContact OD1-NZ 3.04Å; A151-K153 PolarHBondContact O-NZ 2.76Å; K153-V171 CarbonylContact O-C 3.5Å; K153-V171 VanDerWaalsContact O-CA 3.23Å; K153-V171 WeakPolarHBondContact O-CA 3.2Å; K153-A172 WeakPolarHBondContact CB-O 3.18Å; K153-A172 PolarHBondContact O-N 3.44Å; K153-G174 VanDerWaalsContact CE-O 3.28Å; K153-G174 WeakPolarHBondContact CE-O 3.09Å; K153-L261 HydrophobicContact CB-CD2 4.41Å; K153-L261 WeakPolarHBondContact O-CD2 3.41Å; K153-K264 HydrophobicContact CB-CB 3.96Å; K153-K264 HydrophobicContact CB-CD 4.09Å; K153-K264 HydrophobicContact CD-CB 4.24Å; K153-K264 HydrophobicContact CG-CB 3.95Å; K153-I265 HydrophobicContact CD-CB 4.38Å; K153-I265 HydrophobicContact CD-CG1 3.67Å; K153-D268 VanDerWaalsContact CE-CB 3.41Å; K153-D268 VanDerWaalsContact CE-OD2 3.32Å; K153-D268 WeakPolarHBondContact CE-OD2 3.25Å; K153-D268 IonicContact NZ-OD2 2.77Å; K153-D268 PolarHBondContact NZ-OD2 3.28Å
154E98.6Very high97.5Very high41 Ų4134.6 Ų34.619%0.19220%0.204CC..EExtended strand (participates in β ladder)trans-133156.3-176.767.9-74.4174.200112.2H142 T152 G170 V171 K264H142-E154 VanDerWaalsContact CE1-CB 3.48Å; H142-E154 WeakPolarHBondContact CE1-CB 3.39Å; T152-E154 WeakPolarHBondContact CB-OE2 3.33Å; T152-E154 PolarHBondContact OG1-OE1 3.24Å; T152-E154 PolarHBondContact OG1-OE2 3.41Å; E154-G170 CarbonylContact C-O 3.49Å; E154-G170 WeakPolarHBondContact CA-O 3.26Å; E154-V171 HydrophobicContact CB-CG2 4.47Å; E154-K264 PolarHBondContact O-NZ 3.2Å
155I98.8Very high97.5Very high13 Ų1339 Ų397%0.06723%0.225CC..EExtended strand (participates in β ladder)trans-152.4142.5170.9178.3169.9000108.6I3 I157 A169 G170 L256 V257 T260 L261I3-I155 HydrophobicContact CD1-CD1 4.4Å; I3-I155 HydrophobicContact CG1-CD1 4.41Å; I3-I155 HydrophobicContact CG2-CG1 4.44Å; I155-I157 HydrophobicContact CD1-CG2 3.98Å; I155-I157 HydrophobicContact CG1-CG2 4.07Å; I155-A169 CarbonylContact O-C 3.59Å; I155-A169 WeakPolarHBondContact O-CA 2.93Å; I155-G170 PolarHBondContact N-O 3.49Å; I155-G170 PolarHBondContact O-N 3.06Å; I155-L256 HydrophobicContact CD1-CG 4.43Å; I155-V257 HydrophobicContact CG2-CB 4.22Å; I155-V257 HydrophobicContact CG2-CG1 3.93Å; I155-V257 HydrophobicContact CG2-CG2 4.16Å; I155-T260 HydrophobicContact CB-CG2 4.3Å; I155-T260 HydrophobicContact CD1-CG2 3.84Å; I155-T260 HydrophobicContact CG2-CG2 4.5Å; I155-L261 HydrophobicContact CG2-CD2 4.15Å; I155-L261 HydrophobicContact CG2-CG 4.09Å
156V98.9Very high97.5Very high2 Ų239 Ų391%0.01223%0.225CC..EExtended strand (participates in β ladder)trans-127.4134.3170.1-172.80000109.3I3 I4 G6 T7 T167 M168 A169I3-V156 WeakPolarHBondContact CA-O 3.33Å; I4-V156 HydrophobicContact CD1-CG1 3.85Å; I4-V156 HydrophobicContact CG1-CB 3.93Å; I4-V156 HydrophobicContact CG1-CG1 3.65Å; I4-V156 PolarHBondContact N-O 2.7Å; G6-V156 VanDerWaalsContact C-CG2 3.44Å; T7-V156 WeakPolarHBondContact O-CG2 3.46Å; V156-T167 HydrophobicContact CG1-CG2 3.75Å; V156-M168 WeakPolarHBondContact CA-O 2.85Å; V156-A169 HydrophobicContact CB-CB 4.46Å; V156-A169 HydrophobicContact CG1-CB 4.28Å; V156-A169 HydrophobicContact CG2-CB 3.8Å
157I98.8Very high97.6Very high0 Ų038.9 Ų38.90%022%0.224CC..EExtended strand (participates in β ladder)trans-130.9149.8177.458166.9000111M1 Q2 I3 I155 T167 M168 M253 L256 V257M1-I157 HydrophobicContact CG-CD1 4.47Å; M1-I157 HydrophobicContact SD-CD1 4.11Å; Q2-I157 CarbonylContact O-C 3.57Å; Q2-I157 WeakPolarHBondContact O-CA 3.36Å; I3-I157 HydrophobicContact CB-CG2 4.46Å; I3-I157 HydrophobicContact CG1-CG2 3.84Å; I155-I157 HydrophobicContact CD1-CG2 3.98Å; I155-I157 HydrophobicContact CG1-CG2 4.07Å; I157-T167 WeakPolarHBondContact O-CA 3.39Å; I157-M168 HydrophobicContact CD1-CB 4.4Å; I157-M168 HydrophobicContact CG1-CB 3.98Å; I157-M168 WeakPolarHBondContact CG1-O 3.42Å; I157-M168 PolarHBondContact N-O 3.15Å; I157-M168 PolarHBondContact O-N 3.48Å; I157-M253 HydrophobicContact CD1-CB 3.39Å; I157-M253 HydrophobicContact CD1-CE 3.88Å; I157-M253 HydrophobicContact CD1-CG 3.77Å; I157-M253 WeakPolarHBondContact CD1-O 3.37Å; I157-M253 HydrophobicContact CG1-CE 3.83Å; I157-L256 HydrophobicContact CG2-CD2 4.08Å; I157-V257 HydrophobicContact CD1-CG2 3.54Å; I157-V257 HydrophobicContact CG1-CG2 3.64Å
158T98.8Very high97.8Very high14 Ų1437.5 Ų37.59%0.08622%0.216CC..EExtended strand (participates in β ladder)trans-127.3144.4174.963.20000110.7M1 Q2 I4 V166 T167M1-T158 CarbonylContact C-O 3.56Å; M1-T158 VanDerWaalsContact CA-O 3.28Å; M1-T158 WeakPolarHBondContact CA-O 3.36Å; Q2-T158 PolarHBondContact N-O 3.47Å; Q2-T158 PolarHBondContact O-N 2.98Å; I4-T158 HydrophobicContact CD1-CG2 3.55Å; I4-T158 HydrophobicContact CG1-CG2 4.13Å; T158-V166 CarbonylContact C-O 3.1Å; T158-V166 VanDerWaalsContact CA-O 3.27Å; T158-V166 WeakPolarHBondContact CA-O 3.39Å; T158-T167 HydrophobicContact CG2-CG2 4.05Å
159E98.6Very high98.1Very high27 Ų2735.3 Ų35.313%0.12620%0.203CC..EExtended strand (participates in β ladder)trans-149.5145173.7-176.1141.7-121.700111.2M1 I161 Q165 V166 M253M1-E159 WeakPolarHBondContact CA-OE1 3.09Å; M1-E159 WeakPolarHBondContact CB-OE1 3.15Å; M1-E159 VanDerWaalsContact CE-OE2 3.24Å; M1-E159 WeakPolarHBondContact CE-OE2 3.33Å; M1-E159 PolarHBondContact N-OE1 2.65Å; E159-I161 HydrophobicContact CB-CG1 4.46Å; E159-I161 HydrophobicContact CG-CG1 4.22Å; E159-I161 PolarHBondContact O-N 2.71Å; E159-Q165 PolarHBondContact O-NE2 2.76Å; E159-V166 PolarHBondContact N-O 2.76Å; E159-V166 PolarHBondContact O-N 3.31Å; E159-M253 HydrophobicContact CB-CE 4.1Å; E159-M253 HydrophobicContact CB-CG 4.03Å; E159-M253 HydrophobicContact CB-SD 3.58Å; E159-M253 VanDerWaalsContact CB-SD 3.58Å; E159-M253 WeakPolarHBondContact OE2-CG 3.17Å
160E98.5Very high98.2Very high131 Ų13135 Ų3561%0.61220%0.201SC*.EExtended strand (participates in β ladder)trans-77.2114.5170.4-170.4-172.711600109.6Q164 Q249E160-Q164 CarbonylContact C-O 3.46Å; E160-Q164 WeakPolarHBondContact CA-O 3.3Å; E160-Q249 PolarHBondContact O-NE2 2.7Å
161I98.5Very high98.4Very high0 Ų029.6 Ų29.60%017%0.168CC..EExtended strand (participates in β ladder)trans-122.4123.1178.2-62.7-175.8000108E159 G163 Q164 V166 I240 A246 Q249 F250 M253E159-I161 HydrophobicContact CB-CG1 4.46Å; E159-I161 HydrophobicContact CG-CG1 4.22Å; E159-I161 PolarHBondContact O-N 2.71Å; I161-G163 PolarHBondContact O-N 2.84Å; I161-G163 VanDerWaalsContact O-N 3.17Å; I161-Q164 PolarHBondContact N-O 3.28Å; I161-Q164 PolarHBondContact O-N 2.85Å; I161-V166 HydrophobicContact CB-CB 4.42Å; I161-V166 HydrophobicContact CB-CG2 3.88Å; I161-V166 HydrophobicContact CD1-CB 4.2Å; I161-V166 HydrophobicContact CD1-CG1 4.29Å; I161-V166 HydrophobicContact CD1-CG2 4.34Å; I161-V166 HydrophobicContact CG1-CB 4.37Å; I161-V166 HydrophobicContact CG1-CG2 4.35Å; I161-I240 HydrophobicContact CG2-CD1 4.19Å; I161-I240 HydrophobicContact CG2-CG1 4.19Å; I161-A246 HydrophobicContact CG2-CB 3.59Å; I161-Q249 HydrophobicContact CD1-CB 4.16Å; I161-Q249 HydrophobicContact CG1-CB 4.06Å; I161-F250 HydrophobicContact CD1-CB 4.01Å; I161-F250 HydrophobicContact CD1-CD2 4.35Å; I161-M253 HydrophobicContact CD1-SD 3.7Å
162N96.4Very high98.4Very high75 Ų7527.1 Ų27.140%0.40115%0.148SC..THydrogen-bonded Turntrans5038.4-176.8-69.4-22.4000113.8Q164 P238N162-Q164 VanDerWaalsContact C-N 3.28Å; N162-Q164 PolarHBondContact O-N 2.99Å; N162-P238 HydrophobicContact CB-CB 4.31Å; N162-P238 HydrophobicContact CB-CG 3.98Å; N162-P238 PolarHBondContact ND2-O 2.95Å
163G96.3Very high98.4Very high53 Ų5326.7 Ų26.755%0.54614%0.144SC..THydrogen-bonded Turntrans77.76.3178.200000115.1I161I161-G163 PolarHBondContact O-N 2.84Å; I161-G163 VanDerWaalsContact O-N 3.17Å
164Q98.4Very high98.2Very high77 Ų7726.6 Ų26.636%0.3614%0.143SC..EExtended strand (participates in β ladder)trans-116.5145.9174.1-64.4-64.5-6.200110.9E160 I161 N162 V166 N237E160-Q164 CarbonylContact C-O 3.46Å; E160-Q164 WeakPolarHBondContact CA-O 3.3Å; I161-Q164 PolarHBondContact N-O 3.28Å; I161-Q164 PolarHBondContact O-N 2.85Å; N162-Q164 VanDerWaalsContact C-N 3.28Å; N162-Q164 PolarHBondContact O-N 2.99Å; Q164-V166 PolarHBondContact O-N 2.7Å; Q164-N237 HydrophobicContact CB-CB 3.9Å; Q164-N237 HydrophobicContact CG-CB 4.19Å
165Q98.7Very high98Very high94 Ų9424.6 Ų24.644%0.43913%0.134SC..EExtended strand (participates in β ladder)trans-75.3109.3172.8-173.867.582.800109.4E159E159-Q165 PolarHBondContact O-NE2 2.76Å
166V98.9Very high97.7Very high0 Ų024.6 Ų24.60%014%0.137CC..EExtended strand (participates in β ladder)trans-95.7141.3172.3170.90000109.4T158 E159 I161 Q164 A193 A235 N237 M253T158-V166 CarbonylContact C-O 3.1Å; T158-V166 VanDerWaalsContact CA-O 3.27Å; T158-V166 WeakPolarHBondContact CA-O 3.39Å; E159-V166 PolarHBondContact N-O 2.76Å; E159-V166 PolarHBondContact O-N 3.31Å; I161-V166 HydrophobicContact CB-CB 4.42Å; I161-V166 HydrophobicContact CB-CG2 3.88Å; I161-V166 HydrophobicContact CD1-CB 4.2Å; I161-V166 HydrophobicContact CD1-CG1 4.29Å; I161-V166 HydrophobicContact CD1-CG2 4.34Å; I161-V166 HydrophobicContact CG1-CB 4.37Å; I161-V166 HydrophobicContact CG1-CG2 4.35Å; Q164-V166 PolarHBondContact O-N 2.7Å; V166-A193 HydrophobicContact CG1-CB 3.63Å; V166-A193 HydrophobicContact CG2-CB 4.38Å; V166-A235 HydrophobicContact CG2-CB 3.88Å; V166-N237 HydrophobicContact CG2-CB 4.25Å; V166-M253 HydrophobicContact CG1-CE 4.24Å; V166-M253 HydrophobicContact CG1-SD 4.27Å
167T98.9Very high97.3Very high17 Ų1727.7 Ų27.710%0.10415%0.152CC..EExtended strand (participates in β ladder)trans-118.5137.4176-49.90000109.5P11 V156 I157 T158 T191 D192P11-T167 HydrophobicContact CB-CG2 4.26Å; P11-T167 HydrophobicContact CG-CG2 4Å; V156-T167 HydrophobicContact CG1-CG2 3.75Å; I157-T167 WeakPolarHBondContact O-CA 3.39Å; T158-T167 HydrophobicContact CG2-CG2 4.05Å; T167-T191 VanDerWaalsContact O-CA 3.24Å; T167-T191 WeakPolarHBondContact O-CA 3.2Å; T167-T191 WeakPolarHBondContact O-CB 3.24Å; T167-T191 PolarHBondContact O-OG1 3.29Å; T167-D192 PolarHBondContact N-OD1 2.71Å; T167-D192 PolarHBondContact O-N 3.36Å; T167-D192 VanDerWaalsContact O-OD1 3.13Å
168M98.9Very high97.1Very high0 Ų027.8 Ų27.80%015%0.152CC..EExtended strand (participates in β ladder)trans-130129.9169.7-175.2-176.9-66.200108.7V156 I157 I189 T190 F250 M253 F254 V257V156-M168 WeakPolarHBondContact CA-O 2.85Å; I157-M168 HydrophobicContact CD1-CB 4.4Å; I157-M168 HydrophobicContact CG1-CB 3.98Å; I157-M168 WeakPolarHBondContact CG1-O 3.42Å; I157-M168 PolarHBondContact N-O 3.15Å; I157-M168 PolarHBondContact O-N 3.48Å; M168-I189 HydrophobicContact CG-CG2 3.73Å; M168-I189 HydrophobicContact SD-CG2 4.03Å; M168-T190 CarbonylContact C-O 3.26Å; M168-T190 WeakPolarHBondContact CA-O 3.42Å; M168-F250 HydrophobicContact CE-CD2 3.98Å; M168-F250 HydrophobicContact CE-CE1 4.03Å; M168-F250 HydrophobicContact CE-CE2 3.41Å; M168-F250 VanDerWaalsContact CE-CE2 3.41Å; M168-F250 HydrophobicContact CE-CZ 3.45Å; M168-F250 VanDerWaalsContact CE-CZ 3.45Å; M168-M253 HydrophobicContact CB-CE 3.81Å; M168-M253 HydrophobicContact CE-CB 4.07Å; M168-M253 HydrophobicContact SD-CB 4.31Å; M168-F254 HydrophobicContact CE-CB 4.2Å; M168-F254 HydrophobicContact CE-CD2 4.19Å; M168-F254 HydrophobicContact SD-CB 4.26Å; M168-F254 HydrophobicContact SD-CD2 4.19Å; M168-V257 HydrophobicContact CG-CG2 4.06Å; M168-V257 HydrophobicContact SD-CB 4.22Å; M168-V257 HydrophobicContact SD-CG2 3.9Å
169A99Very high96.9Very high0 Ų029.6 Ų29.60%016%0.16CC..EExtended strand (participates in β ladder)trans-121.7147.1176.300000109.9T7 I8 P11 I155 V156 I189 T190T7-A169 WeakPolarHBondContact O-CB 2.95Å; I8-A169 HydrophobicContact CD1-CB 4.35Å; P11-A169 HydrophobicContact CG-CB 4.01Å; I155-A169 CarbonylContact O-C 3.59Å; I155-A169 WeakPolarHBondContact O-CA 2.93Å; V156-A169 HydrophobicContact CB-CB 4.46Å; V156-A169 HydrophobicContact CG1-CB 4.28Å; V156-A169 HydrophobicContact CG2-CB 3.8Å; A169-I189 CarbonylContact O-C 3.54Å; A169-I189 VanDerWaalsContact O-CA 3.25Å; A169-I189 WeakPolarHBondContact O-CA 3.48Å; A169-I189 WeakPolarHBondContact O-CG2 3.44Å; A169-T190 PolarHBondContact N-O 3.25Å; A169-T190 PolarHBondContact O-N 2.78Å
170G98.8Very high96.2Very high0 Ų028.3 Ų28.30%015%0.154CC..EExtended strand (participates in β ladder)trans-135.5145.1175.500000111E154 I155 F188E154-G170 CarbonylContact C-O 3.49Å; E154-G170 WeakPolarHBondContact CA-O 3.26Å; I155-G170 PolarHBondContact N-O 3.49Å; I155-G170 PolarHBondContact O-N 3.06Å; G170-F188 CarbonylContact C-O 3.55Å; G170-F188 WeakPolarHBondContact CA-O 3.24Å
171V98.8Very high95.3Very high1 Ų126.2 Ų26.21%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-137.5142.117066.50000109.5I8 F141 H142 I145 K153 E154 A187 F188I8-V171 HydrophobicContact CB-CB 4.3Å; I8-V171 HydrophobicContact CB-CG1 3.88Å; I8-V171 HydrophobicContact CD1-CB 4.37Å; I8-V171 HydrophobicContact CD1-CG1 3.83Å; I8-V171 HydrophobicContact CG1-CB 4.48Å; I8-V171 HydrophobicContact CG1-CG1 3.69Å; I8-V171 HydrophobicContact CG2-CG1 4.45Å; F141-V171 HydrophobicContact CD1-CG1 4.07Å; F141-V171 HydrophobicContact CE1-CG1 3.71Å; H142-V171 HydrophobicContact CB-CG2 4.07Å; H142-V171 VanDerWaalsContact CD2-CG2 3.47Å; H142-V171 WeakPolarHBondContact CD2-CG2 3.23Å; I145-V171 HydrophobicContact CD1-CG1 4.48Å; I145-V171 HydrophobicContact CD1-CG2 4.11Å; K153-V171 CarbonylContact O-C 3.5Å; K153-V171 VanDerWaalsContact O-CA 3.23Å; K153-V171 WeakPolarHBondContact O-CA 3.2Å; E154-V171 HydrophobicContact CB-CG2 4.47Å; V171-A187 WeakPolarHBondContact O-CA 3.34Å; V171-F188 HydrophobicContact CG1-CB 4.07Å; V171-F188 HydrophobicContact CG1-CD2 4.21Å; V171-F188 PolarHBondContact N-O 3.38Å; V171-F188 PolarHBondContact O-N 3.45Å
172A98.3Very high93.9Very high0 Ų030 Ų300%017%0.166CC..EExtended strand (participates in β ladder)trans-140.1160.1175.500000112.8K153 L186 A187 L261 I265K153-A172 WeakPolarHBondContact CB-O 3.18Å; K153-A172 PolarHBondContact O-N 3.44Å; A172-L186 CarbonylContact C-O 3.18Å; A172-L186 VanDerWaalsContact CA-O 3.28Å; A172-L186 WeakPolarHBondContact CA-O 3.14Å; A172-A187 HydrophobicContact CB-CB 3.85Å; A172-L261 HydrophobicContact CB-CB 4.25Å; A172-L261 HydrophobicContact CB-CD1 4.31Å; A172-L261 HydrophobicContact CB-CD2 4.25Å; A172-I265 HydrophobicContact CB-CD1 3.82Å; A172-I265 HydrophobicContact CB-CG1 4.24Å
173K96.8Very high91.9Very high13 Ų1326.5 Ų26.56%0.05715%0.147CC..EExtended strand (participates in β ladder)trans-130.9148.8169.563.580.949.8-171.20110.1T112 I145 L146 T147 D149 M185 L186T112-K173 HydrophobicContact CG2-CD 4.22Å; T112-K173 WeakPolarHBondContact OG1-CE 3.3Å; T112-K173 PolarHBondContact OG1-NZ 3.46Å; I145-K173 HydrophobicContact CB-CG 4.13Å; I145-K173 HydrophobicContact CD1-CB 3.9Å; I145-K173 HydrophobicContact CD1-CG 3.88Å; I145-K173 HydrophobicContact CG1-CB 3.96Å; I145-K173 HydrophobicContact CG1-CG 4.04Å; I145-K173 WeakPolarHBondContact O-CE 3.14Å; I145-K173 WeakPolarHBondContact O-CG 3.12Å; L146-K173 HydrophobicContact CD2-CB 4.19Å; T147-K173 VanDerWaalsContact OG1-CE 3.31Å; T147-K173 WeakPolarHBondContact OG1-CE 3.06Å; T147-K173 PolarHBondContact OG1-NZ 3.38Å; D149-K173 WeakPolarHBondContact OD1-CA 3.28Å; K173-M185 WeakPolarHBondContact O-CB 3.48Å; K173-L186 HydrophobicContact CD-CB 3.87Å; K173-L186 HydrophobicContact CD-CD1 4.24Å; K173-L186 HydrophobicContact CD-CG 4.13Å; K173-L186 HydrophobicContact CG-CB 3.91Å; K173-L186 PolarHBondContact N-O 2.84Å; K173-L186 PolarHBondContact O-N 3.32Å
174G94.7Very high90Very high0 Ų024 Ų240%012%0.121CC..  trans154133.8-17700000110.8D149 K153D149-G174 PolarHBondContact OD1-N 3.09Å; K153-G174 VanDerWaalsContact CE-O 3.28Å; K153-G174 WeakPolarHBondContact CE-O 3.09Å
175S94Very high89.5Confident0 Ų020.5 Ų20.50%011%0.105CC..SBendtrans-152.6-42.4179.848.80000110.4T148 D149 V217 D268 G269 E270T148-S175 PolarHBondContact OG1-OG 2.88Å; D149-S175 PolarHBondContact N-OG 2.8Å; D149-S175 VanDerWaalsContact N-OG 3.15Å; S175-V217 WeakPolarHBondContact O-CG1 3.22Å; S175-D268 VanDerWaalsContact CA-O 3.32Å; S175-D268 WeakPolarHBondContact CA-O 3.25Å; S175-D268 WeakPolarHBondContact CB-O 3.33Å; S175-G269 WeakPolarHBondContact O-CA 3.46Å; S175-E270 PolarHBondContact O-N 3.35Å
176G92.1Very high89.4Confident12 Ų1216.1 Ų16.112%0.1248%0.084CC..SBendtrans-118.7163.8168.400000112.2I178G176-I178 WeakPolarHBondContact O-CD1 3.42Å
177M92.2Very high89.4Confident68 Ų6816.1 Ų16.134%0.3358%0.084SC..SBendtrans52.655.6-167.9-59.6-178.8-72.400111.5T184 D218 D220M177-T184 VanDerWaalsContact O-CB 3.28Å; M177-T184 WeakPolarHBondContact O-CB 3.32Å; M177-D218 WeakPolarHBondContact CA-OD1 3.37Å; M177-D218 WeakPolarHBondContact CA-OD2 3.34Å; M177-D218 PolarHBondContact N-OD2 2.98Å; M177-D220 CarbonylContact C-O 3.55Å
178I94.6Very high89.4Confident1 Ų115.3 Ų15.31%0.0058%0.079CC..  trans-115.5100.4-178.3-45.2-61.6000109.9G176 P180 T184 M185 I215 T216 V217 D218 D220 I265G176-I178 WeakPolarHBondContact O-CD1 3.42Å; I178-P180 HydrophobicContact CG2-CG 4.41Å; I178-T184 VanDerWaalsContact CA-OG1 3.23Å; I178-T184 WeakPolarHBondContact CA-OG1 3.49Å; I178-T184 WeakPolarHBondContact CD1-O 3.37Å; I178-M185 HydrophobicContact CD1-CB 4.44Å; I178-I215 HydrophobicContact CG2-CD1 3.62Å; I178-I215 HydrophobicContact CG2-CG1 3.76Å; I178-T216 CarbonylContact O-C 3.58Å; I178-T216 VanDerWaalsContact O-CA 3.22Å; I178-T216 WeakPolarHBondContact O-CA 3.41Å; I178-T216 PolarHBondContact O-OG1 2.55Å; I178-V217 HydrophobicContact CB-CB 3.78Å; I178-V217 HydrophobicContact CB-CG2 3.68Å; I178-V217 HydrophobicContact CG1-CB 4.1Å; I178-V217 HydrophobicContact CG1-CG2 3.78Å; I178-V217 HydrophobicContact CG2-CG2 4.16Å; I178-V217 PolarHBondContact O-N 2.51Å; I178-D218 PolarHBondContact N-OD1 3.09Å; I178-D220 PolarHBondContact N-O 3.06Å; I178-I265 HydrophobicContact CD1-CG2 4.01Å; I178-I265 HydrophobicContact CG1-CG2 4.14Å; I178-I265 HydrophobicContact CG2-CG2 3.97Å
179H94.4Very high89.4Confident53 Ų5315.3 Ų15.325%0.2458%0.079CC..  trans-151.973.9160.4-163.481.3000111.4N181 T184 T216 G219 D220 T221H179-N181 PolarHBondContact O-N 3.44Å; H179-T184 WeakPolarHBondContact CA-OG1 3.49Å; H179-T184 PolarHBondContact N-OG1 3.43Å; H179-T184 WeakPolarHBondContact O-CG2 3.37Å; H179-T216 VanDerWaalsContact ND1-CB 3.32Å; H179-T216 WeakPolarHBondContact ND1-CB 3.41Å; H179-T216 PolarHBondContact ND1-OG1 3.19Å; H179-G219 WeakPolarHBondContact CB-O 3.27Å; H179-D220 PolarHBondContact N-O 2.64Å; H179-T221 PolarHBondContact O-OG1 2.96Å
180P82.8Confident89.4Confident0 Ų015.3 Ų15.30%08%0.079CC..  trans-61125.9-165.1-25.135.1000111.8I178 T184 F212 N213 I215 K294I178-P180 HydrophobicContact CG2-CG 4.41Å; P180-T184 VanDerWaalsContact CA-OG1 3.26Å; P180-T184 WeakPolarHBondContact CA-OG1 3.22Å; P180-T184 VanDerWaalsContact CB-N 3.35Å; P180-T184 WeakPolarHBondContact CD-OG1 3.24Å; P180-T184 WeakPolarHBondContact CG-OG1 3.34Å; P180-F212 VanDerWaalsContact CB-O 3.25Å; P180-F212 WeakPolarHBondContact CB-O 3.02Å; P180-F212 WeakPolarHBondContact CG-O 3.36Å; P180-N213 WeakPolarHBondContact CB-OD1 3.38Å; P180-N213 PolarHBondContact O-OD1 2.9Å; P180-I215 WeakPolarHBondContact CD-O 3.45Å; P180-I215 HydrophobicContact CG-CD1 4.16Å; P180-I215 HydrophobicContact CG-CG1 3.6Å; P180-K294 PolarHBondContact O-NZ 2.74Å
181N79.1Confident89.4Confident86 Ų8615.3 Ų15.346%0.468%0.079SC..SBendtrans-129.187.7165.5-177.64.3000106.4T47 H179T47-N181 WeakPolarHBondContact CB-O 3.29Å; T47-N181 WeakPolarHBondContact CG2-O 3.42Å; T47-N181 PolarHBondContact N-O 2.71Å; T47-N181 WeakPolarHBondContact OG1-CB 3.2Å; T47-N181 VanDerWaalsContact OG1-CG 3.31Å; T47-N181 PolarHBondContact OG1-ND2 2.9Å; T47-N181 PolarHBondContact OG1-O 2.87Å; H179-N181 PolarHBondContact O-N 3.44Å
182M69Low89.4Confident81 Ų8115.3 Ų15.340%0.3998%0.079SC..SBendtrans52.963.8-154.1-56.9-160.7-74.200110.9Y45 T46 T47 N213Y45-M182 CarbonylContact C-O 3.57Å; Y45-M182 WeakPolarHBondContact O-CB 3.35Å; T46-M182 WeakPolarHBondContact CA-O 3.44Å; T46-M182 PolarHBondContact N-O 3.44Å; T47-M182 HydrophobicContact CG2-CB 4.04Å; T47-M182 HydrophobicContact CG2-CE 3.53Å; T47-M182 HydrophobicContact CG2-CG 4.27Å; M182-N213 PolarHBondContact N-ND2 3.46Å; M182-N213 PolarHBondContact N-OD1 2.87Å
183A55.1Low89.4Confident0 Ų015.3 Ų15.30%08%0.079CC..  trans85.8133.1174.300000115.9M185 N213 D225 V227A183-M185 HydrophobicContact CB-CE 3.8Å; A183-N213 PolarHBondContact N-OD1 3.02Å; A183-D225 VanDerWaalsContact C-CG 3.42Å; A183-D225 HydrophobicContact CB-CB 3.3Å; A183-D225 WeakPolarHBondContact O-CB 3.44Å; A183-V227 HydrophobicContact CB-CG2 4.47Å
184T57.2Low89.5Confident0 Ų018 Ų180%09%0.092CC..SBendtrans-142.966.2161.265.10000110M177 I178 H179 P180 T221 D225M177-T184 VanDerWaalsContact O-CB 3.28Å; M177-T184 WeakPolarHBondContact O-CB 3.32Å; I178-T184 VanDerWaalsContact CA-OG1 3.23Å; I178-T184 WeakPolarHBondContact CA-OG1 3.49Å; I178-T184 WeakPolarHBondContact CD1-O 3.37Å; H179-T184 WeakPolarHBondContact CA-OG1 3.49Å; H179-T184 PolarHBondContact N-OG1 3.43Å; H179-T184 WeakPolarHBondContact O-CG2 3.37Å; P180-T184 VanDerWaalsContact CA-OG1 3.26Å; P180-T184 WeakPolarHBondContact CA-OG1 3.22Å; P180-T184 VanDerWaalsContact CB-N 3.35Å; P180-T184 WeakPolarHBondContact CD-OG1 3.24Å; P180-T184 WeakPolarHBondContact CG-OG1 3.34Å; T184-T221 HydrophobicContact CG2-CG2 3.55Å; T184-D225 VanDerWaalsContact C-OD1 3.31Å; T184-D225 WeakPolarHBondContact CA-OD1 3.3Å; T184-D225 VanDerWaalsContact CA-OD2 3.3Å; T184-D225 WeakPolarHBondContact CA-OD2 3.11Å
185M88Confident89.7Confident5 Ų518 Ų183%0.0259%0.092CC..SBendtrans170.9172.8-172.849.395.5-109.600108.4K173 I178 A183 A187 F212 D225 M226 V227 I265K173-M185 WeakPolarHBondContact O-CB 3.48Å; I178-M185 HydrophobicContact CD1-CB 4.44Å; A183-M185 HydrophobicContact CB-CE 3.8Å; M185-A187 HydrophobicContact CE-CB 3.73Å; M185-A187 HydrophobicContact SD-CB 3.34Å; M185-A187 WeakPolarHBondContact SD-CB 3.13Å; M185-A187 PolarHBondContact SD-N 3.01Å; M185-F212 HydrophobicContact SD-CD1 3.97Å; M185-F212 HydrophobicContact SD-CE1 4.16Å; M185-D225 PolarHBondContact N-OD1 3.36Å; M185-D225 VanDerWaalsContact O-CA 3.31Å; M185-D225 WeakPolarHBondContact O-CA 3.31Å; M185-M226 VanDerWaalsContact CE-O 3.28Å; M185-M226 WeakPolarHBondContact CE-O 3.47Å; M185-M226 PolarHBondContact O-N 3.04Å; M185-M226 VanDerWaalsContact O-N 3.12Å; M185-V227 HydrophobicContact CE-CB 4.32Å; M185-V227 HydrophobicContact CE-CG2 3.29Å; M185-I265 HydrophobicContact CB-CD1 4.04Å; M185-I265 HydrophobicContact CG-CD1 3.82Å; M185-I265 HydrophobicContact SD-CD1 3.99Å
186L96.4Very high89.9Confident2 Ų219.9 Ų19.91%0.0111%0.105CC..EExtended strand (participates in β ladder)trans-110.5125.8159.9-63.9174.1000107.8V72 A110 T112 A172 K173 F188 N224 M226V72-L186 HydrophobicContact CG1-CD1 4.02Å; A110-L186 HydrophobicContact CB-CD1 3.91Å; A110-L186 HydrophobicContact CB-CD2 4.05Å; T112-L186 HydrophobicContact CG2-CD1 4.19Å; A172-L186 CarbonylContact C-O 3.18Å; A172-L186 VanDerWaalsContact CA-O 3.28Å; A172-L186 WeakPolarHBondContact CA-O 3.14Å; K173-L186 HydrophobicContact CD-CB 3.87Å; K173-L186 HydrophobicContact CD-CD1 4.24Å; K173-L186 HydrophobicContact CD-CG 4.13Å; K173-L186 HydrophobicContact CG-CB 3.91Å; K173-L186 PolarHBondContact N-O 2.84Å; K173-L186 PolarHBondContact O-N 3.32Å; L186-F188 HydrophobicContact CB-CE2 3.95Å; L186-F188 HydrophobicContact CB-CZ 4Å; L186-F188 HydrophobicContact CD1-CZ 4.37Å; L186-N224 WeakPolarHBondContact CD2-O 3.38Å; L186-M226 WeakPolarHBondContact CA-O 3.17Å; L186-M226 HydrophobicContact CD2-CB 3.94Å
187A98.3Very high90.2Very high0 Ų022.2 Ų22.20%011%0.113CC..EExtended strand (participates in β ladder)trans-128.6137.6170.300000110.1V171 A172 M185 F212 M226 V227 L228V171-A187 WeakPolarHBondContact O-CA 3.34Å; A172-A187 HydrophobicContact CB-CB 3.85Å; M185-A187 HydrophobicContact CE-CB 3.73Å; M185-A187 HydrophobicContact SD-CB 3.34Å; M185-A187 WeakPolarHBondContact SD-CB 3.13Å; M185-A187 PolarHBondContact SD-N 3.01Å; A187-F212 HydrophobicContact CB-CE1 3.94Å; A187-F212 HydrophobicContact CB-CZ 3.82Å; A187-M226 PolarHBondContact N-O 3.44Å; A187-V227 HydrophobicContact CB-CG1 4.28Å; A187-V227 HydrophobicContact CB-CG2 4.4Å; A187-V227 VanDerWaalsContact O-CA 3.31Å; A187-V227 WeakPolarHBondContact O-CA 3.38Å; A187-L228 PolarHBondContact O-N 2.88Å
188F98.8Very high90.4Very high0 Ų026 Ų260%013%0.129CC..EExtended strand (participates in β ladder)trans-122.9132.1177.7-52.4-76.3000107.9I8 I33 V70 V72 A110 F141 I145 G170 V171 L186 M226 L228I8-F188 HydrophobicContact CD1-CB 4.47Å; I8-F188 WeakPolarHBondContact CD1-O 3.45Å; I33-F188 HydrophobicContact CD1-CB 3.67Å; I33-F188 HydrophobicContact CD1-CD1 4.43Å; I33-F188 HydrophobicContact CD1-CD2 4.49Å; I33-F188 HydrophobicContact CD1-CG 3.95Å; V70-F188 HydrophobicContact CG1-CD1 4.02Å; V70-F188 HydrophobicContact CG1-CE1 3.64Å; V70-F188 HydrophobicContact CG1-CZ 4.38Å; V72-F188 HydrophobicContact CG1-CZ 4.37Å; V72-F188 HydrophobicContact CG2-CE1 4.16Å; V72-F188 HydrophobicContact CG2-CE2 3.92Å; V72-F188 HydrophobicContact CG2-CZ 3.5Å; A110-F188 HydrophobicContact CB-CE1 4.44Å; A110-F188 HydrophobicContact CB-CZ 4.04Å; F141-F188 AromaticContact CE1-CD2 3.88Å; F141-F188 HydrophobicContact CE1-CD2 3.88Å; F141-F188 HydrophobicContact CE1-CE2 4.37Å; F141-F188 AromaticContact CZ-CD2 3.86Å; F141-F188 HydrophobicContact CZ-CD2 3.86Å; F141-F188 HydrophobicContact CZ-CE2 4.01Å; F141-F188 HydrophobicContact CZ-CG 4.44Å; I145-F188 HydrophobicContact CD1-CD2 4.35Å; I145-F188 HydrophobicContact CD1-CE2 4.27Å; I145-F188 HydrophobicContact CG2-CE2 4.45Å; G170-F188 CarbonylContact C-O 3.55Å; G170-F188 WeakPolarHBondContact CA-O 3.24Å; V171-F188 HydrophobicContact CG1-CB 4.07Å; V171-F188 HydrophobicContact CG1-CD2 4.21Å; V171-F188 PolarHBondContact N-O 3.38Å; V171-F188 PolarHBondContact O-N 3.45Å; L186-F188 HydrophobicContact CB-CE2 3.95Å; L186-F188 HydrophobicContact CB-CZ 4Å; L186-F188 HydrophobicContact CD1-CZ 4.37Å; F188-M226 HydrophobicContact CE1-CE 4.31Å; F188-L228 CarbonylContact C-O 3.48Å; F188-L228 WeakPolarHBondContact CA-O 3.11Å; F188-L228 HydrophobicContact CD1-CB 4.1Å; F188-L228 HydrophobicContact CE1-CB 4.47Å
189I98.9Very high90.6Very high0 Ų026.3 Ų26.30%013%0.131CC..EExtended strand (participates in β ladder)trans-124.2130.8175.6-61.2174.2000107.5M168 A169 L228 V229 L230 F254 V257M168-I189 HydrophobicContact CG-CG2 3.73Å; M168-I189 HydrophobicContact SD-CG2 4.03Å; A169-I189 CarbonylContact O-C 3.54Å; A169-I189 VanDerWaalsContact O-CA 3.25Å; A169-I189 WeakPolarHBondContact O-CA 3.48Å; A169-I189 WeakPolarHBondContact O-CG2 3.44Å; I189-L228 PolarHBondContact N-O 3.26Å; I189-V229 HydrophobicContact CB-CB 4.47Å; I189-V229 HydrophobicContact CB-CG1 4.08Å; I189-V229 HydrophobicContact CB-CG2 4.21Å; I189-V229 HydrophobicContact CD1-CG2 4.47Å; I189-V229 HydrophobicContact CG2-CG1 4.03Å; I189-V229 CarbonylContact O-C 3.37Å; I189-V229 VanDerWaalsContact O-CA 3.26Å; I189-V229 WeakPolarHBondContact O-CA 3.38Å; I189-L230 PolarHBondContact O-N 2.84Å; I189-F254 HydrophobicContact CD1-CE2 3.89Å; I189-F254 HydrophobicContact CD1-CZ 3.89Å; I189-V257 HydrophobicContact CD1-CG1 3.99Å; I189-V257 HydrophobicContact CG1-CG1 4.08Å; I189-V257 HydrophobicContact CG2-CG1 4.48Å
190T98.9Very high90.8Very high0 Ų023.8 Ų23.80%012%0.119CC..EExtended strand (participates in β ladder)trans-117.4146.1173.655.30000108.9I8 P11 F14 I33 M168 A169 L230I8-T190 HydrophobicContact CD1-CG2 3.92Å; I8-T190 HydrophobicContact CG1-CG2 3.97Å; I8-T190 PolarHBondContact O-OG1 3.18Å; P11-T190 WeakPolarHBondContact CG-O 3.38Å; P11-T190 WeakPolarHBondContact CG-OG1 3.31Å; F14-T190 HydrophobicContact CD1-CG2 3.67Å; F14-T190 HydrophobicContact CE1-CG2 3.69Å; F14-T190 HydrophobicContact CG-CG2 4.15Å; F14-T190 HydrophobicContact CZ-CG2 4.19Å; I33-T190 HydrophobicContact CG2-CG2 4Å; M168-T190 CarbonylContact C-O 3.26Å; M168-T190 WeakPolarHBondContact CA-O 3.42Å; A169-T190 PolarHBondContact N-O 3.25Å; A169-T190 PolarHBondContact O-N 2.78Å; T190-L230 CarbonylContact C-O 3.5Å; T190-L230 WeakPolarHBondContact CA-O 3.43Å
191T98.9Very high91.6Very high0 Ų026.9 Ų26.90%013%0.134CC..EExtended strand (participates in β ladder)trans-149.9145.6172.6-175.10000110.4F14 T167 A193 L230 A231 N232 F250F14-T191 VanDerWaalsContact CE2-O 3.3Å; F14-T191 WeakPolarHBondContact CE2-O 2.98Å; T167-T191 VanDerWaalsContact O-CA 3.24Å; T167-T191 WeakPolarHBondContact O-CA 3.2Å; T167-T191 WeakPolarHBondContact O-CB 3.24Å; T167-T191 PolarHBondContact O-OG1 3.29Å; T191-A193 VanDerWaalsContact C-N 3.26Å; T191-A193 HydrophobicContact CG2-CB 4.12Å; T191-A193 WeakPolarHBondContact OG1-CB 3.49Å; T191-A193 PolarHBondContact OG1-N 3.19Å; T191-L230 PolarHBondContact N-O 3.28Å; T191-A231 HydrophobicContact CG2-CB 3.57Å; T191-A231 VanDerWaalsContact O-CA 3.28Å; T191-A231 WeakPolarHBondContact O-CA 3.37Å; T191-N232 PolarHBondContact O-N 3.34Å; T191-N232 VanDerWaalsContact O-N 3.08Å; T191-F250 HydrophobicContact CG2-CE2 4.04Å; T191-F250 HydrophobicContact CG2-CZ 4.11Å
192D98.9Very high92.5Very high0 Ų026.4 Ų26.40%013%0.129CC..  trans-88.93.9173.15512.3000112.4P11 K12 T167 N232 G233 L234 A235P11-D192 HydrophobicContact CB-CB 3.88Å; K12-D192 HydrophobicContact CB-CB 4Å; K12-D192 WeakPolarHBondContact CG-OD2 3.39Å; K12-D192 PolarHBondContact N-OD2 3.28Å; T167-D192 PolarHBondContact N-OD1 2.71Å; T167-D192 PolarHBondContact O-N 3.36Å; T167-D192 VanDerWaalsContact O-OD1 3.13Å; D192-N232 VanDerWaalsContact CA-OD1 3.29Å; D192-N232 WeakPolarHBondContact CA-OD1 2.99Å; D192-G233 CarbonylContact O-C 3.58Å; D192-G233 VanDerWaalsContact O-CA 3.27Å; D192-G233 WeakPolarHBondContact O-CA 3.31Å; D192-G233 PolarHBondContact O-N 3.43Å; D192-L234 PolarHBondContact O-N 2.63Å; D192-L234 VanDerWaalsContact O-N 3.11Å; D192-A235 HydrophobicContact CB-CB 4.09Å; D192-A235 WeakPolarHBondContact O-CB 3.37Å; D192-A235 PolarHBondContact O-N 3.11Å
193A98.9Very high93.9Very high0 Ų022.8 Ų22.80%011%0.111CC..  trans-61.1138.1176.100000112.3V166 T191 I195 G233 N237 I240 F250V166-A193 HydrophobicContact CG1-CB 3.63Å; V166-A193 HydrophobicContact CG2-CB 4.38Å; T191-A193 VanDerWaalsContact C-N 3.26Å; T191-A193 HydrophobicContact CG2-CB 4.12Å; T191-A193 WeakPolarHBondContact OG1-CB 3.49Å; T191-A193 PolarHBondContact OG1-N 3.19Å; A193-I195 PolarHBondContact O-N 3.01Å; A193-G233 PolarHBondContact O-N 3.18Å; A193-N237 WeakPolarHBondContact CA-OD1 3.28Å; A193-I240 HydrophobicContact CB-CD1 4.15Å; A193-F250 HydrophobicContact CB-CD2 3.9Å; A193-F250 HydrophobicContact CB-CE2 3.49Å; A193-F250 VanDerWaalsContact CB-CE2 3.49Å
194Q98.7Very high95.9Very high70 Ų7022.8 Ų22.833%0.32711%0.111SC..  trans-82.6106.7165.9-176.867.3-14.500110G233 N237 V239 I240Q194-G233 VanDerWaalsContact OE1-CA 3.24Å; Q194-N237 VanDerWaalsContact CB-O 3.32Å; Q194-N237 WeakPolarHBondContact CB-O 3.39Å; Q194-N237 PolarHBondContact N-OD1 2.85Å; Q194-N237 PolarHBondContact O-ND2 3.35Å; Q194-V239 HydrophobicContact CG-CB 4.3Å; Q194-V239 HydrophobicContact CG-CG2 3.67Å; Q194-I240 PolarHBondContact O-N 3.49Å
195I98.7Very high97.7Very high1 Ų125 Ų251%0.00513%0.129CC..BIsolated β-bridgetrans-146.2144.5-179.4-175.9167.7000109.4N40 A193 L199 L200 I203 A231 I240 F250N40-I195 PolarHBondContact ND2-O 3.12Å; A193-I195 PolarHBondContact O-N 3.01Å; I195-L199 HydrophobicContact CD1-CB 4.22Å; I195-L199 HydrophobicContact CD1-CD2 4.08Å; I195-L199 HydrophobicContact CD1-CG 4.08Å; I195-L199 HydrophobicContact CG1-CB 4.06Å; I195-L199 HydrophobicContact CG1-CD2 4.14Å; I195-L199 HydrophobicContact CG1-CG 4.33Å; I195-L200 HydrophobicContact CG2-CD1 4.1Å; I195-I203 HydrophobicContact CD1-CD1 3.85Å; I195-A231 HydrophobicContact CG2-CB 3.64Å; I195-I240 HydrophobicContact CB-CB 4.29Å; I195-I240 HydrophobicContact CB-CD1 4.34Å; I195-I240 HydrophobicContact CD1-CB 4.43Å; I195-I240 HydrophobicContact CD1-CG2 4.39Å; I195-I240 HydrophobicContact CG1-CB 4.25Å; I195-F250 HydrophobicContact CD1-CD1 3.8Å; I195-F250 HydrophobicContact CD1-CE1 3.62Å; I195-F250 HydrophobicContact CD1-CG 4.42Å; I195-F250 HydrophobicContact CD1-CZ 4.1Å; I195-F250 HydrophobicContact CG2-CZ 4.25Å
196S98.3Very high98.1Very high38 Ų3828.7 Ų28.727%0.26615%0.152SC..  trans-69.4149.517768.80000111.7E198 L199 L200S196-E198 PolarHBondContact O-N 3.32Å; S196-L199 PolarHBondContact O-N 2.55Å; S196-L199 WeakPolarHBondContact OG-CB 3.18Å; S196-L199 PolarHBondContact OG-N 2.87Å; S196-L200 WeakPolarHBondContact O-CB 3.13Å; S196-L200 PolarHBondContact O-N 3.35Å
197E97.5Very high98.1Very high61 Ų6130.8 Ų30.829%0.28516%0.161SC..Hα-helixtrans-54.3-38.8173.564-160.3-165.300113N40 T65 L200 Q201N40-E197 HydrophobicContact CB-CB 4.27Å; T65-E197 VanDerWaalsContact CB-OE2 3.24Å; T65-E197 WeakPolarHBondContact CB-OE2 3.34Å; T65-E197 PolarHBondContact OG1-OE1 2.87Å; T65-E197 PolarHBondContact OG1-OE2 3.23Å; E197-L200 PolarHBondContact O-N 2.87Å; E197-Q201 VanDerWaalsContact O-CB 3.26Å; E197-Q201 WeakPolarHBondContact O-CB 3.34Å; E197-Q201 PolarHBondContact O-N 3.19Å
198E98Very high98Very high147 Ų14730.8 Ų30.869%0.68716%0.161SC*.Hα-helixtrans-63.9-46.8-179.5-61159.7154.500111.2S196 Q201 E202S196-E198 PolarHBondContact O-N 3.32Å; E198-Q201 PolarHBondContact O-N 3.42Å; E198-E202 PolarHBondContact O-N 3.48Å
199L98.4Very high97.8Very high8 Ų834.3 Ų34.34%0.04218%0.178CC..Hα-helixtrans-72-37.4179.6-165.960.1000110.9I195 S196 Q201 E202 I203 I240 K242 F247I195-L199 HydrophobicContact CD1-CB 4.22Å; I195-L199 HydrophobicContact CD1-CD2 4.08Å; I195-L199 HydrophobicContact CD1-CG 4.08Å; I195-L199 HydrophobicContact CG1-CB 4.06Å; I195-L199 HydrophobicContact CG1-CD2 4.14Å; I195-L199 HydrophobicContact CG1-CG 4.33Å; S196-L199 PolarHBondContact O-N 2.55Å; S196-L199 WeakPolarHBondContact OG-CB 3.18Å; S196-L199 PolarHBondContact OG-N 2.87Å; L199-Q201 VanDerWaalsContact C-N 3.34Å; L199-Q201 PolarHBondContact O-N 2.74Å; L199-E202 PolarHBondContact O-N 2.92Å; L199-I203 HydrophobicContact CG-CD1 4.3Å; L199-I203 WeakPolarHBondContact O-CG1 3.38Å; L199-I203 PolarHBondContact O-N 3.45Å; L199-I240 HydrophobicContact CD2-CG2 4.2Å; L199-I240 VanDerWaalsContact CD2-O 3.31Å; L199-I240 WeakPolarHBondContact CD2-O 3.39Å; L199-K242 HydrophobicContact CD1-CB 3.92Å; L199-K242 HydrophobicContact CD1-CD 4.18Å; L199-K242 HydrophobicContact CD1-CG 4.02Å; L199-K242 HydrophobicContact CD2-CB 4.46Å; L199-F247 HydrophobicContact CD1-CD2 3.9Å; L199-F247 HydrophobicContact CD1-CE2 3.47Å; L199-F247 VanDerWaalsContact CD1-CE2 3.47Å; L199-F247 HydrophobicContact CD1-CZ 4.34Å; L199-F247 HydrophobicContact CD2-CD2 3.75Å; L199-F247 HydrophobicContact CD2-CE2 4.18Å; L199-F247 HydrophobicContact CG-CD2 3.97Å; L199-F247 HydrophobicContact CG-CE2 3.88Å
200L98.6Very high97.6Very high0 Ų036.5 Ų36.50%019%0.191CC..Hα-helixtrans-60.7-44.4174.2-168.965.5000111.3N40 A42 I195 S196 E197 I203 L204 V229 A231 F250N40-L200 WeakPolarHBondContact O-CD2 3.37Å; A42-L200 HydrophobicContact CB-CB 4.24Å; A42-L200 HydrophobicContact CB-CD2 4.02Å; A42-L200 HydrophobicContact CB-CG 3.77Å; I195-L200 HydrophobicContact CG2-CD1 4.1Å; S196-L200 WeakPolarHBondContact O-CB 3.13Å; S196-L200 PolarHBondContact O-N 3.35Å; E197-L200 PolarHBondContact O-N 2.87Å; L200-I203 PolarHBondContact O-N 2.91Å; L200-L204 WeakPolarHBondContact O-CB 3.34Å; L200-L204 PolarHBondContact O-N 3.41Å; L200-V229 HydrophobicContact CD1-CG1 3.78Å; L200-V229 HydrophobicContact CD2-CB 4.36Å; L200-V229 HydrophobicContact CD2-CG1 4.12Å; L200-V229 HydrophobicContact CG-CB 4.46Å; L200-V229 HydrophobicContact CG-CG1 4.17Å; L200-A231 HydrophobicContact CD1-CB 4.5Å; L200-A231 HydrophobicContact CD2-CB 3.88Å; L200-F250 HydrophobicContact CD1-CE1 4.11Å; L200-F250 HydrophobicContact CD1-CZ 3.98Å
201Q98.2Very high97.6Very high65 Ų6536.5 Ų36.530%0.30419%0.191SC..Hα-helixtrans-67.8-38.9177.8-173.962.362.700112.3A42 A43 E197 E198 L199 A205A42-Q201 VanDerWaalsContact CA-OE1 3.31Å; A42-Q201 HydrophobicContact CB-CB 4.05Å; A43-Q201 PolarHBondContact O-NE2 2.77Å; A43-Q201 PolarHBondContact O-OE1 3.37Å; E197-Q201 VanDerWaalsContact O-CB 3.26Å; E197-Q201 WeakPolarHBondContact O-CB 3.34Å; E197-Q201 PolarHBondContact O-N 3.19Å; E198-Q201 PolarHBondContact O-N 3.42Å; L199-Q201 VanDerWaalsContact C-N 3.34Å; L199-Q201 PolarHBondContact O-N 2.74Å; Q201-A205 WeakPolarHBondContact O-CB 3.16Å; Q201-A205 PolarHBondContact O-N 3.18Å
202E98.2Very high97.5Very high77 Ų7736.5 Ų36.536%0.3619%0.191SC..Hα-helixtrans-60.1-49.4173.2-178.1179.9163.400111.2E198 L199 L204 A205 V206 K242E198-E202 PolarHBondContact O-N 3.48Å; L199-E202 PolarHBondContact O-N 2.92Å; E202-L204 PolarHBondContact O-N 3.2Å; E202-A205 PolarHBondContact O-N 2.94Å; E202-V206 WeakPolarHBondContact O-CG2 3.32Å; E202-V206 PolarHBondContact O-N 2.92Å; E202-K242 VanDerWaalsContact OE1-CE 3.28Å; E202-K242 WeakPolarHBondContact OE1-CE 3.42Å; E202-K242 IonicContact OE1-NZ 2.68Å; E202-K242 PolarHBondContact OE1-NZ 3.04Å; E202-K242 IonicContact OE2-NZ 2.9Å; E202-K242 PolarHBondContact OE2-NZ 2.65Å
203I98.5Very high97.3Very high5 Ų536.7 Ų36.73%0.02619%0.192CC..Hα-helixtrans-61-47.8179.8-66.7169.5000110.3I195 L199 L200 A205 V206 K207 F247 F250 V251 F254I195-I203 HydrophobicContact CD1-CD1 3.85Å; L199-I203 HydrophobicContact CG-CD1 4.3Å; L199-I203 WeakPolarHBondContact O-CG1 3.38Å; L199-I203 PolarHBondContact O-N 3.45Å; L200-I203 PolarHBondContact O-N 2.91Å; I203-A205 PolarHBondContact O-N 3.38Å; I203-V206 PolarHBondContact O-N 2.68Å; I203-K207 HydrophobicContact CG2-CG 4.07Å; I203-K207 VanDerWaalsContact O-CB 3.28Å; I203-K207 WeakPolarHBondContact O-CB 3.22Å; I203-K207 WeakPolarHBondContact O-CG 3.22Å; I203-K207 PolarHBondContact O-N 3.04Å; I203-F247 HydrophobicContact CD1-CD2 4.05Å; I203-F247 HydrophobicContact CD1-CE2 3.66Å; I203-F247 HydrophobicContact CG1-CE2 3.73Å; I203-F247 HydrophobicContact CG1-CZ 4.4Å; I203-F250 HydrophobicContact CD1-CD1 3.62Å; I203-F250 HydrophobicContact CD1-CE1 3.82Å; I203-V251 HydrophobicContact CD1-CG2 3.84Å; I203-V251 HydrophobicContact CG1-CG2 3.93Å; I203-V251 HydrophobicContact CG2-CG2 4.42Å; I203-F254 HydrophobicContact CG2-CB 4Å; I203-F254 HydrophobicContact CG2-CD1 3.83Å; I203-F254 HydrophobicContact CG2-CD2 4.1Å; I203-F254 HydrophobicContact CG2-CE1 4.39Å; I203-F254 HydrophobicContact CG2-CG 3.68Å
204L97.8Very high97.3Very high0 Ų037.2 Ų37.20%019%0.194CC..Hα-helixtrans-58-48178.6174.462.7000111.2A42 A43 V44 L200 E202 V206 T208 V227 V229 F254A42-L204 VanDerWaalsContact C-CD2 3.49Å; A42-L204 HydrophobicContact CB-CB 4.28Å; A42-L204 HydrophobicContact CB-CD2 3.76Å; A43-L204 VanDerWaalsContact C-CD2 3.46Å; V44-L204 HydrophobicContact CG1-CD2 4.12Å; V44-L204 HydrophobicContact CG1-CG 4.03Å; V44-L204 HydrophobicContact CG2-CD1 4.2Å; V44-L204 HydrophobicContact CG2-CD2 4.32Å; V44-L204 HydrophobicContact CG2-CG 4.26Å; L200-L204 WeakPolarHBondContact O-CB 3.34Å; L200-L204 PolarHBondContact O-N 3.41Å; E202-L204 PolarHBondContact O-N 3.2Å; L204-V206 PolarHBondContact O-N 2.99Å; L204-T208 WeakPolarHBondContact CD1-OG1 3.49Å; L204-T208 VanDerWaalsContact O-CB 3.24Å; L204-T208 WeakPolarHBondContact O-CB 3.31Å; L204-T208 PolarHBondContact O-N 3.41Å; L204-T208 PolarHBondContact O-OG1 2.71Å; L204-V227 HydrophobicContact CD1-CB 4.04Å; L204-V227 HydrophobicContact CD1-CG1 3.63Å; L204-V229 HydrophobicContact CD1-CG2 3.91Å; L204-V229 HydrophobicContact CD2-CG2 4.01Å; L204-V229 HydrophobicContact CG-CG2 4.37Å; L204-F254 HydrophobicContact CB-CZ 4.24Å; L204-F254 HydrophobicContact CD1-CE1 4.38Å; L204-F254 HydrophobicContact CD1-CZ 3.71Å
205A95.6Very high97.2Very high46 Ų4633.9 Ų33.938%0.3818%0.179SC..Hα-helixtrans-60.3-46.8-179.700000111.8Q201 E202 I203Q201-A205 WeakPolarHBondContact O-CB 3.16Å; Q201-A205 PolarHBondContact O-N 3.18Å; E202-A205 PolarHBondContact O-N 2.94Å; I203-A205 PolarHBondContact O-N 3.38Å
206V95.8Very high97.2Very high82 Ų8233.9 Ų33.950%0.49718%0.179SC..Hα-helixtrans-68.9-45.2-179.1173.20000111.7E202 I203 L204 E209E202-V206 WeakPolarHBondContact O-CG2 3.32Å; E202-V206 PolarHBondContact O-N 2.92Å; I203-V206 PolarHBondContact O-N 2.68Å; L204-V206 PolarHBondContact O-N 2.99Å; V206-E209 WeakPolarHBondContact O-CB 3.37Å; V206-E209 PolarHBondContact O-N 3.12Å
207K96.5Very high97.1Very high46 Ų4632.1 Ų32.120%0.217%0.167CC..Hα-helixtrans-78.6-26.3-173.2-65.7-49.7-165.8172.40113.4I203 E209 T210 T211 F254I203-K207 HydrophobicContact CG2-CG 4.07Å; I203-K207 VanDerWaalsContact O-CB 3.28Å; I203-K207 WeakPolarHBondContact O-CB 3.22Å; I203-K207 WeakPolarHBondContact O-CG 3.22Å; I203-K207 PolarHBondContact O-N 3.04Å; K207-E209 PolarHBondContact O-N 2.95Å; K207-T210 PolarHBondContact O-N 2.64Å; K207-T210 PolarHBondContact O-OG1 2.99Å; K207-T211 WeakPolarHBondContact O-CB 3.47Å; K207-T211 WeakPolarHBondContact O-CG2 3.43Å; K207-T211 PolarHBondContact O-N 3.09Å; K207-T211 VanDerWaalsContact O-N 3.11Å; K207-T211 PolarHBondContact O-OG1 2.83Å; K207-F254 HydrophobicContact CB-CD1 3.58Å; K207-F254 HydrophobicContact CB-CE1 3.67Å; K207-F254 HydrophobicContact CG-CD1 3.87Å; K207-F254 HydrophobicContact CG-CE1 4.4Å
208T95.4Very high97Very high1 Ų130.9 Ų30.91%0.00616%0.162CC..Hα-helixtrans-58.3-39.6171.5-60.40000110.7V44 L204 T210 T211 F212 N213V44-T208 HydrophobicContact CG2-CG2 4.1Å; L204-T208 WeakPolarHBondContact CD1-OG1 3.49Å; L204-T208 VanDerWaalsContact O-CB 3.24Å; L204-T208 WeakPolarHBondContact O-CB 3.31Å; L204-T208 PolarHBondContact O-N 3.41Å; L204-T208 PolarHBondContact O-OG1 2.71Å; T208-T210 PolarHBondContact O-N 2.94Å; T208-T211 PolarHBondContact O-N 2.77Å; T208-F212 HydrophobicContact CG2-CB 4.17Å; T208-F212 PolarHBondContact O-N 2.96Å; T208-N213 WeakPolarHBondContact O-CB 3.43Å; T208-N213 PolarHBondContact O-N 2.73Å
209E94.8Very high96.8Very high74 Ų7425.7 Ų25.735%0.34615%0.148SC..THydrogen-bonded Turntrans-61.3-24.6179-69.4-57.1122.400114.6V206 K207 N213 Q214 R290V206-E209 WeakPolarHBondContact O-CB 3.37Å; V206-E209 PolarHBondContact O-N 3.12Å; K207-E209 PolarHBondContact O-N 2.95Å; E209-N213 PolarHBondContact OE1-ND2 2.82Å; E209-Q214 WeakPolarHBondContact O-CG 3.34Å; E209-Q214 PolarHBondContact O-OE1 3.35Å; E209-R290 WeakPolarHBondContact O-CD 3.21Å; E209-R290 PolarHBondContact O-NE 2.95Å
210T96Very high96.6Very high45 Ų4529.7 Ų29.728%0.27617%0.169SC..THydrogen-bonded Turntrans-111.31.8-177.8590000113.2K207 T208K207-T210 PolarHBondContact O-N 2.64Å; K207-T210 PolarHBondContact O-OG1 2.99Å; T208-T210 PolarHBondContact O-N 2.94Å
211T97.2Very high96.4Very high0 Ų031.7 Ų31.70%018%0.181CC..THydrogen-bonded Turntrans-129.9-90.4-177.858.50000110.9K207 T208 N213 Q214 S258 E259K207-T211 WeakPolarHBondContact O-CB 3.47Å; K207-T211 WeakPolarHBondContact O-CG2 3.43Å; K207-T211 PolarHBondContact O-N 3.09Å; K207-T211 VanDerWaalsContact O-N 3.11Å; K207-T211 PolarHBondContact O-OG1 2.83Å; T208-T211 PolarHBondContact O-N 2.77Å; T211-N213 VanDerWaalsContact C-N 3.35Å; T211-N213 PolarHBondContact O-N 2.94Å; T211-Q214 WeakPolarHBondContact O-CA 3.32Å; T211-Q214 WeakPolarHBondContact O-CB 3.37Å; T211-Q214 PolarHBondContact O-N 2.97Å; T211-S258 WeakPolarHBondContact OG1-CB 3.42Å; T211-E259 HydrophobicContact CG2-CB 3.97Å
212F96.9Very high96.2Very high0 Ų029.1 Ų29.10%017%0.171CC..G310 helixtrans-59.4-41.4-178.8-61.5-67.4000112P180 M185 A187 T208 Q214 I215 V227 L261 A262P180-F212 VanDerWaalsContact CB-O 3.25Å; P180-F212 WeakPolarHBondContact CB-O 3.02Å; P180-F212 WeakPolarHBondContact CG-O 3.36Å; M185-F212 HydrophobicContact SD-CD1 3.97Å; M185-F212 HydrophobicContact SD-CE1 4.16Å; A187-F212 HydrophobicContact CB-CE1 3.94Å; A187-F212 HydrophobicContact CB-CZ 3.82Å; T208-F212 HydrophobicContact CG2-CB 4.17Å; T208-F212 PolarHBondContact O-N 2.96Å; F212-Q214 PolarHBondContact O-N 3.44Å; F212-I215 WeakPolarHBondContact O-CG1 3.28Å; F212-I215 PolarHBondContact O-N 3.47Å; F212-V227 HydrophobicContact CD2-CG1 4.49Å; F212-V227 HydrophobicContact CD2-CG2 3.77Å; F212-V227 HydrophobicContact CE2-CG1 4.05Å; F212-V227 HydrophobicContact CE2-CG2 4.07Å; F212-V227 HydrophobicContact CG-CG2 4.22Å; F212-L261 HydrophobicContact CE1-CB 3.82Å; F212-L261 HydrophobicContact CZ-CB 4.12Å; F212-L261 HydrophobicContact CZ-CD1 4.15Å; F212-A262 HydrophobicContact CD1-CB 4.18Å
213N96.2Very high96.1Very high4 Ų425.9 Ų25.92%0.02116%0.156CC..G310 helixtrans-68.3-2.8176.3-71-13000114.4P180 M182 A183 T208 E209 T211 K294P180-N213 WeakPolarHBondContact CB-OD1 3.38Å; P180-N213 PolarHBondContact O-OD1 2.9Å; M182-N213 PolarHBondContact N-ND2 3.46Å; M182-N213 PolarHBondContact N-OD1 2.87Å; A183-N213 PolarHBondContact N-OD1 3.02Å; T208-N213 WeakPolarHBondContact O-CB 3.43Å; T208-N213 PolarHBondContact O-N 2.73Å; E209-N213 PolarHBondContact OE1-ND2 2.82Å; T211-N213 VanDerWaalsContact C-N 3.35Å; T211-N213 PolarHBondContact O-N 2.94Å; N213-K294 WeakPolarHBondContact O-CD 3.47Å; N213-K294 WeakPolarHBondContact O-CE 3.36Å; N213-K294 PolarHBondContact O-NZ 3.32Å
214Q97.4Very high96Very high11 Ų1126 Ų265%0.05116%0.157CC..G310 helixtrans-106.415.2178.9-64.7-53.7112.200113.9E209 T211 F212 R290 Q378 A379 W380E209-Q214 WeakPolarHBondContact O-CG 3.34Å; E209-Q214 PolarHBondContact O-OE1 3.35Å; T211-Q214 WeakPolarHBondContact O-CA 3.32Å; T211-Q214 WeakPolarHBondContact O-CB 3.37Å; T211-Q214 PolarHBondContact O-N 2.97Å; F212-Q214 PolarHBondContact O-N 3.44Å; Q214-R290 HydrophobicContact CG-CG 4.34Å; Q214-R290 PolarHBondContact NE2-O 2.72Å; Q214-R290 VanDerWaalsContact NE2-O 3.11Å; Q214-Q378 WeakPolarHBondContact CB-O 3.5Å; Q214-Q378 WeakPolarHBondContact CG-O 3.35Å; Q214-Q378 PolarHBondContact NE2-O 3.01Å; Q214-A379 HydrophobicContact CB-CB 4.41Å; Q214-A379 CarbonylContact O-C 3.51Å; Q214-A379 WeakPolarHBondContact O-CA 3.35Å; Q214-A379 VanDerWaalsContact O-CB 3.27Å; Q214-A379 WeakPolarHBondContact O-CB 3.3Å; Q214-W380 HydrophobicContact CB-CE3 4.04Å; Q214-W380 HydrophobicContact CB-CZ3 3.74Å; Q214-W380 PolarHBondContact O-N 3.33Å
215I97.9Very high95.7Very high0 Ų026.1 Ų26.10%016%0.158CC..EExtended strand (participates in β ladder)trans-106.1155171.266.9173.7000113I178 P180 F212 A262 I265 A266 K294 W380I178-I215 HydrophobicContact CG2-CD1 3.62Å; I178-I215 HydrophobicContact CG2-CG1 3.76Å; P180-I215 WeakPolarHBondContact CD-O 3.45Å; P180-I215 HydrophobicContact CG-CD1 4.16Å; P180-I215 HydrophobicContact CG-CG1 3.6Å; F212-I215 WeakPolarHBondContact O-CG1 3.28Å; F212-I215 PolarHBondContact O-N 3.47Å; I215-A262 HydrophobicContact CG2-CB 3.66Å; I215-A262 WeakPolarHBondContact CG2-O 3.38Å; I215-I265 HydrophobicContact CD1-CB 3.67Å; I215-I265 HydrophobicContact CD1-CD1 3.97Å; I215-I265 HydrophobicContact CD1-CG1 4.46Å; I215-I265 HydrophobicContact CD1-CG2 3.46Å; I215-I265 VanDerWaalsContact CD1-CG2 3.46Å; I215-A266 HydrophobicContact CB-CB 4.32Å; I215-A266 HydrophobicContact CG2-CB 4.21Å; I215-K294 VanDerWaalsContact O-CE 3.26Å; I215-K294 WeakPolarHBondContact O-CE 3.29Å; I215-W380 CarbonylContact C-O 3.51Å; I215-W380 WeakPolarHBondContact CA-O 3.35Å; I215-W380 HydrophobicContact CG2-CB 4.19Å; I215-W380 HydrophobicContact CG2-CE3 3.93Å
216T97.8Very high95.7Very high1 Ų124 Ų241%0.00614%0.14CC..EExtended strand (participates in β ladder)trans-157136.9167.9-177.70000111.5I178 H179 K294 V297 W380 G381I178-T216 CarbonylContact O-C 3.58Å; I178-T216 VanDerWaalsContact O-CA 3.22Å; I178-T216 WeakPolarHBondContact O-CA 3.41Å; I178-T216 PolarHBondContact O-OG1 2.55Å; H179-T216 VanDerWaalsContact ND1-CB 3.32Å; H179-T216 WeakPolarHBondContact ND1-CB 3.41Å; H179-T216 PolarHBondContact ND1-OG1 3.19Å; T216-K294 HydrophobicContact CG2-CG 4.39Å; T216-V297 HydrophobicContact CG2-CB 4.38Å; T216-V297 HydrophobicContact CG2-CG2 3.58Å; T216-W380 PolarHBondContact N-O 3.48Å; T216-G381 WeakPolarHBondContact O-CA 3.43Å
217V97.2Very high95.8Very high2 Ų220.1 Ų20.11%0.01212%0.116CC..SBendtrans-105.6-61.7169.6174.40000109.1S175 I178 K303S175-V217 WeakPolarHBondContact O-CG1 3.22Å; I178-V217 HydrophobicContact CB-CB 3.78Å; I178-V217 HydrophobicContact CB-CG2 3.68Å; I178-V217 HydrophobicContact CG1-CB 4.1Å; I178-V217 HydrophobicContact CG1-CG2 3.78Å; I178-V217 HydrophobicContact CG2-CG2 4.16Å; I178-V217 PolarHBondContact O-N 2.51Å; V217-K303 WeakPolarHBondContact O-CE 3.42Å; V217-K303 PolarHBondContact O-NZ 3.37Å
218D94.9Very high95.9Very high35 Ų3517.9 Ų17.919%0.18711%0.107CC..SBendtrans-117.9-11.9-169.743.329.1000114.1M177 I178 D220 Y388M177-D218 WeakPolarHBondContact CA-OD1 3.37Å; M177-D218 WeakPolarHBondContact CA-OD2 3.34Å; M177-D218 PolarHBondContact N-OD2 2.98Å; I178-D218 PolarHBondContact N-OD1 3.09Å; D218-D220 VanDerWaalsContact C-N 3.34Å; D218-D220 PolarHBondContact OD1-N 3.03Å; D218-D220 VanDerWaalsContact OD1-N 3.14Å; D218-Y388 HydrophobicContact CB-CE2 4.11Å; D218-Y388 WeakPolarHBondContact CB-OH 3.28Å
219G94.5Very high96.1Very high38 Ų3817.9 Ų17.939%0.39211%0.106SC..SBendtrans91.2-0.6-177.600000113.4H179H179-G219 WeakPolarHBondContact CB-O 3.27Å
220D94Very high96.3Very high91 Ų9114.4 Ų14.449%0.4879%0.09SC..  trans-94.1129.5-175.2-72.3-63.2000112.3M177 I178 H179 D218M177-D220 CarbonylContact C-O 3.55Å; I178-D220 PolarHBondContact N-O 3.06Å; H179-D220 PolarHBondContact N-O 2.64Å; D218-D220 VanDerWaalsContact C-N 3.34Å; D218-D220 PolarHBondContact OD1-N 3.03Å; D218-D220 VanDerWaalsContact OD1-N 3.14Å
221T93.2Very high96.4Very high42 Ų4212.3 Ų12.326%0.2588%0.078SC..  trans-88.2114.4175.4-53.60000111.8N48 H179 T184N48-T221 HydrophobicContact CB-CG2 4.07Å; N48-T221 PolarHBondContact ND2-O 3.38Å; H179-T221 PolarHBondContact O-OG1 2.96Å; T184-T221 HydrophobicContact CG2-CG2 3.55Å
222S95Very high96.5Very high12 Ų1212.8 Ų12.88%0.0848%0.08CC..  trans-65.1160.1179.3143.90000113.6T46 N48 N224 D225T46-S222 PolarHBondContact OG1-O 2.79Å; N48-S222 WeakPolarHBondContact CB-O 3.24Å; S222-N224 PolarHBondContact OG-N 2.94Å; S222-N224 VanDerWaalsContact OG-N 3.12Å; S222-D225 VanDerWaalsContact CA-OD2 3.3Å; S222-D225 WeakPolarHBondContact CA-OD2 3.44Å; S222-D225 VanDerWaalsContact CB-CG 3.47Å; S222-D225 WeakPolarHBondContact CB-OD1 3.45Å; S222-D225 VanDerWaalsContact CB-OD2 3.24Å; S222-D225 WeakPolarHBondContact CB-OD2 3.28Å; S222-D225 PolarHBondContact N-OD2 2.85Å; S222-D225 PolarHBondContact OG-OD1 3.4Å; S222-D225 PolarHBondContact OG-OD2 3.36Å
223T95.8Very high96.6Very high9 Ų913.3 Ų13.36%0.0559%0.085CC..SBendtrans-84.7-12.3-179.951.90000113.2V50 A52 A79 I115V50-T223 HydrophobicContact CB-CG2 4.29Å; V50-T223 HydrophobicContact CG1-CG2 4.39Å; V50-T223 WeakPolarHBondContact O-CB 3.35Å; V50-T223 WeakPolarHBondContact O-CG2 3.45Å; A52-T223 WeakPolarHBondContact CB-O 3.28Å; A52-T223 PolarHBondContact N-O 3.44Å; A79-T223 HydrophobicContact CB-CG2 4.44Å; A79-T223 WeakPolarHBondContact CB-OG1 3.5Å; I115-T223 HydrophobicContact CD1-CG2 4.01Å
224N96.5Very high96.7Very high7 Ų715.5 Ų15.54%0.03710%0.097CC..SBendtrans-116.92.6-162.8-8076.6000114.4A52 I55 A77 S111 L186 S222A52-N224 HydrophobicContact CB-CB 4.47Å; A52-N224 VanDerWaalsContact CB-CG 3.42Å; A52-N224 WeakPolarHBondContact CB-ND2 3.3Å; A52-N224 VanDerWaalsContact CB-OD1 3.31Å; A52-N224 WeakPolarHBondContact CB-OD1 3.44Å; I55-N224 WeakPolarHBondContact CD1-O 3.25Å; A77-N224 PolarHBondContact O-ND2 3.48Å; S111-N224 WeakPolarHBondContact O-CB 3.33Å; S111-N224 PolarHBondContact O-ND2 3.09Å; L186-N224 WeakPolarHBondContact CD2-O 3.38Å; S222-N224 PolarHBondContact OG-N 2.94Å; S222-N224 VanDerWaalsContact OG-N 3.12Å
225D90.7Very high96.8Very high3 Ų315 Ų152%0.0169%0.094CC..  trans-74142-157.4-45.7-56.5000113.7Y45 T46 I55 A183 T184 M185 S222Y45-D225 CarbonylContact C-O 3.52Å; Y45-D225 WeakPolarHBondContact CA-O 3.31Å; T46-D225 WeakPolarHBondContact CB-OD2 3.42Å; T46-D225 PolarHBondContact N-O 3.15Å; T46-D225 PolarHBondContact OG1-OD2 3.37Å; I55-D225 WeakPolarHBondContact CD1-O 3.17Å; A183-D225 VanDerWaalsContact C-CG 3.42Å; A183-D225 HydrophobicContact CB-CB 3.3Å; A183-D225 WeakPolarHBondContact O-CB 3.44Å; T184-D225 VanDerWaalsContact C-OD1 3.31Å; T184-D225 WeakPolarHBondContact CA-OD1 3.3Å; T184-D225 VanDerWaalsContact CA-OD2 3.3Å; T184-D225 WeakPolarHBondContact CA-OD2 3.11Å; M185-D225 PolarHBondContact N-OD1 3.36Å; M185-D225 VanDerWaalsContact O-CA 3.31Å; M185-D225 WeakPolarHBondContact O-CA 3.31Å; S222-D225 VanDerWaalsContact CA-OD2 3.3Å; S222-D225 WeakPolarHBondContact CA-OD2 3.44Å; S222-D225 VanDerWaalsContact CB-CG 3.47Å; S222-D225 WeakPolarHBondContact CB-OD1 3.45Å; S222-D225 VanDerWaalsContact CB-OD2 3.24Å; S222-D225 WeakPolarHBondContact CB-OD2 3.28Å; S222-D225 PolarHBondContact N-OD2 2.85Å; S222-D225 PolarHBondContact OG-OD1 3.4Å; S222-D225 PolarHBondContact OG-OD2 3.36Å
226M96.6Very high96.7Very high1 Ų122 Ų221%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-159.8132-177.3-172.1168.759.300110.7V44 Y45 I55 T58 A110 M185 L186 A187 F188 L228V44-M226 VanDerWaalsContact O-CA 3.27Å; V44-M226 WeakPolarHBondContact O-CA 3.22Å; Y45-M226 HydrophobicContact CD1-CB 4.48Å; Y45-M226 HydrophobicContact CD1-CG 3.91Å; Y45-M226 HydrophobicContact CD1-SD 3.87Å; Y45-M226 HydrophobicContact CE1-CG 4.09Å; Y45-M226 HydrophobicContact CE1-SD 3.61Å; I55-M226 HydrophobicContact CD1-CB 4.43Å; T58-M226 HydrophobicContact CG2-CE 4.3Å; T58-M226 HydrophobicContact CG2-SD 3.57Å; T58-M226 VanDerWaalsContact CG2-SD 3.57Å; A110-M226 HydrophobicContact CB-CE 3.63Å; M185-M226 VanDerWaalsContact CE-O 3.28Å; M185-M226 WeakPolarHBondContact CE-O 3.47Å; M185-M226 PolarHBondContact O-N 3.04Å; M185-M226 VanDerWaalsContact O-N 3.12Å; L186-M226 WeakPolarHBondContact CA-O 3.17Å; L186-M226 HydrophobicContact CD2-CB 3.94Å; A187-M226 PolarHBondContact N-O 3.44Å; F188-M226 HydrophobicContact CE1-CE 4.31Å; M226-L228 HydrophobicContact CG-CB 4.43Å
227V98.1Very high96.7Very high0 Ų022.2 Ų22.20%013%0.128CC..EExtended strand (participates in β ladder)trans-103127.2156.7-173.40000106.2A43 V44 A183 M185 A187 L204 F212 V229A43-V227 VanDerWaalsContact CA-O 3.28Å; A43-V227 WeakPolarHBondContact CA-O 3.41Å; V44-V227 HydrophobicContact CG2-CB 3.66Å; V44-V227 HydrophobicContact CG2-CG2 3.79Å; V44-V227 PolarHBondContact N-O 3.45Å; V44-V227 PolarHBondContact O-N 2.82Å; A183-V227 HydrophobicContact CB-CG2 4.47Å; M185-V227 HydrophobicContact CE-CB 4.32Å; M185-V227 HydrophobicContact CE-CG2 3.29Å; A187-V227 HydrophobicContact CB-CG1 4.28Å; A187-V227 HydrophobicContact CB-CG2 4.4Å; A187-V227 VanDerWaalsContact O-CA 3.31Å; A187-V227 WeakPolarHBondContact O-CA 3.38Å; L204-V227 HydrophobicContact CD1-CB 4.04Å; L204-V227 HydrophobicContact CD1-CG1 3.63Å; F212-V227 HydrophobicContact CD2-CG1 4.49Å; F212-V227 HydrophobicContact CD2-CG2 3.77Å; F212-V227 HydrophobicContact CE2-CG1 4.05Å; F212-V227 HydrophobicContact CE2-CG2 4.07Å; F212-V227 HydrophobicContact CG-CG2 4.22Å; V227-V229 HydrophobicContact CG1-CG2 4.44Å
228L98.4Very high96.8Very high0 Ų025.8 Ų25.80%015%0.152CC..EExtended strand (participates in β ladder)trans-124131.3176.2-175.768.1000109.3A43 M62 V70 A108 A187 F188 I189 M226 L230A43-L228 HydrophobicContact CB-CD1 3.85Å; M62-L228 HydrophobicContact CE-CD1 4.37Å; M62-L228 HydrophobicContact SD-CD1 3.8Å; V70-L228 HydrophobicContact CB-CD2 4.43Å; V70-L228 HydrophobicContact CG1-CD2 4.02Å; V70-L228 HydrophobicContact CG2-CD2 3.51Å; A108-L228 HydrophobicContact CB-CD2 3.61Å; A187-L228 PolarHBondContact O-N 2.88Å; F188-L228 CarbonylContact C-O 3.48Å; F188-L228 WeakPolarHBondContact CA-O 3.11Å; F188-L228 HydrophobicContact CD1-CB 4.1Å; F188-L228 HydrophobicContact CE1-CB 4.47Å; I189-L228 PolarHBondContact N-O 3.26Å; M226-L228 HydrophobicContact CG-CB 4.43Å; L228-L230 HydrophobicContact CD2-CD1 3.92Å; L228-L230 HydrophobicContact CG-CD1 3.74Å
229V98.8Very high96.9Very high0 Ų027.1 Ų27.10%016%0.161CC..EExtended strand (participates in β ladder)trans-119.7131.6-178.9-169.50000108.6A41 A42 I189 L200 L204 V227 F254A41-V229 VanDerWaalsContact CA-O 3.22Å; A41-V229 WeakPolarHBondContact CA-O 3.29Å; A42-V229 HydrophobicContact CB-CB 4.4Å; A42-V229 PolarHBondContact N-O 2.83Å; A42-V229 PolarHBondContact O-N 3.09Å; I189-V229 HydrophobicContact CB-CB 4.47Å; I189-V229 HydrophobicContact CB-CG1 4.08Å; I189-V229 HydrophobicContact CB-CG2 4.21Å; I189-V229 HydrophobicContact CD1-CG2 4.47Å; I189-V229 HydrophobicContact CG2-CG1 4.03Å; I189-V229 CarbonylContact O-C 3.37Å; I189-V229 VanDerWaalsContact O-CA 3.26Å; I189-V229 WeakPolarHBondContact O-CA 3.38Å; L200-V229 HydrophobicContact CD1-CG1 3.78Å; L200-V229 HydrophobicContact CD2-CB 4.36Å; L200-V229 HydrophobicContact CD2-CG1 4.12Å; L200-V229 HydrophobicContact CG-CB 4.46Å; L200-V229 HydrophobicContact CG-CG1 4.17Å; L204-V229 HydrophobicContact CD1-CG2 3.91Å; L204-V229 HydrophobicContact CD2-CG2 4.01Å; L204-V229 HydrophobicContact CG-CG2 4.37Å; V227-V229 HydrophobicContact CG1-CG2 4.44Å; V229-F254 HydrophobicContact CG1-CE2 4.16Å; V229-F254 HydrophobicContact CG2-CE2 3.81Å; V229-F254 HydrophobicContact CG2-CZ 4.05Å
230L98.9Very high97.1Very high1 Ų125.4 Ų25.41%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-121.7123.9177.2-70.577.6000109.2F14 A39 I67 V70 I189 T190 T191 L228F14-L230 HydrophobicContact CE1-CB 3.81Å; F14-L230 HydrophobicContact CE1-CD2 4.13Å; F14-L230 HydrophobicContact CZ-CB 3.9Å; A39-L230 HydrophobicContact CB-CB 3.97Å; A39-L230 HydrophobicContact CB-CD2 4.49Å; A39-L230 HydrophobicContact CB-CG 4.49Å; I67-L230 HydrophobicContact CB-CD2 4.44Å; I67-L230 HydrophobicContact CG2-CD2 4Å; I67-L230 HydrophobicContact CG2-CG 4.49Å; V70-L230 HydrophobicContact CG2-CD1 3.89Å; V70-L230 HydrophobicContact CG2-CD2 4.07Å; I189-L230 PolarHBondContact O-N 2.84Å; T190-L230 CarbonylContact C-O 3.5Å; T190-L230 WeakPolarHBondContact CA-O 3.43Å; T191-L230 PolarHBondContact N-O 3.28Å; L228-L230 HydrophobicContact CD2-CD1 3.92Å; L228-L230 HydrophobicContact CG-CD1 3.74Å
231A98.9Very high97.4Very high2 Ų227 Ų272%0.01715%0.147CC..EExtended strand (participates in β ladder)trans-120.6108.2177.100000110.4A39 N40 T191 I195 L200A39-A231 CarbonylContact C-O 3.56Å; A39-A231 WeakPolarHBondContact CA-O 3.28Å; N40-A231 PolarHBondContact N-O 3.03Å; N40-A231 PolarHBondContact O-N 3.2Å; T191-A231 HydrophobicContact CG2-CB 3.57Å; T191-A231 VanDerWaalsContact O-CA 3.28Å; T191-A231 WeakPolarHBondContact O-CA 3.37Å; I195-A231 HydrophobicContact CG2-CB 3.64Å; L200-A231 HydrophobicContact CD1-CB 4.5Å; L200-A231 HydrophobicContact CD2-CB 3.88Å
232N98.8Very high97.6Very high10 Ų1029.6 Ų29.65%0.05316%0.155CC..  trans-98.2-4.6-170.678.2-0.6000115.2K12 F14 S35 V37 A39 T191 D192 L234K12-N232 PolarHBondContact O-ND2 3.18Å; F14-N232 WeakPolarHBondContact CD2-ND2 3.04Å; F14-N232 HydrophobicContact CE2-CB 3.84Å; F14-N232 WeakPolarHBondContact CE2-ND2 3.46Å; F14-N232 HydrophobicContact CZ-CB 3.81Å; S35-N232 VanDerWaalsContact OG-CB 3.26Å; S35-N232 WeakPolarHBondContact OG-CB 3.34Å; S35-N232 PolarHBondContact OG-ND2 3.01Å; V37-N232 HydrophobicContact CG2-CB 3.88Å; V37-N232 WeakPolarHBondContact CG2-O 3.44Å; A39-N232 HydrophobicContact CB-CB 3.85Å; T191-N232 PolarHBondContact O-N 3.34Å; T191-N232 VanDerWaalsContact O-N 3.08Å; D192-N232 VanDerWaalsContact CA-OD1 3.29Å; D192-N232 WeakPolarHBondContact CA-OD1 2.99Å; N232-L234 VanDerWaalsContact C-N 3.27Å; N232-L234 PolarHBondContact O-N 3.14Å; N232-L234 PolarHBondContact OD1-N 3.12Å; N232-L234 VanDerWaalsContact OD1-N 3.12Å
233G98.7Very high97.6Very high10 Ų1035.3 Ų35.310%0.10319%0.185CC..  trans74.61.7174.600000117D192 A193 Q194 A235 E236D192-G233 CarbonylContact O-C 3.58Å; D192-G233 VanDerWaalsContact O-CA 3.27Å; D192-G233 WeakPolarHBondContact O-CA 3.31Å; D192-G233 PolarHBondContact O-N 3.43Å; A193-G233 PolarHBondContact O-N 3.18Å; Q194-G233 VanDerWaalsContact OE1-CA 3.24Å; G233-A235 PolarHBondContact O-N 3.04Å; G233-E236 PolarHBondContact O-N 2.86Å
234L98.8Very high97.7Very high50 Ų5036.4 Ų36.426%0.26219%0.192SC..THydrogen-bonded Turntrans-75.6-0.6-174.2-64.2-178.6000115K12 V37 D192 N232 E236K12-L234 HydrophobicContact CB-CB 3.94Å; K12-L234 WeakPolarHBondContact CD-O 3.23Å; V37-L234 HydrophobicContact CG1-CD2 4.35Å; V37-L234 HydrophobicContact CG2-CD1 4.17Å; V37-L234 HydrophobicContact CG2-CD2 4.12Å; V37-L234 HydrophobicContact CG2-CG 4.05Å; D192-L234 PolarHBondContact O-N 2.63Å; D192-L234 VanDerWaalsContact O-N 3.11Å; N232-L234 VanDerWaalsContact C-N 3.27Å; N232-L234 PolarHBondContact O-N 3.14Å; N232-L234 PolarHBondContact OD1-N 3.12Å; N232-L234 VanDerWaalsContact OD1-N 3.12Å; L234-E236 PolarHBondContact O-N 2.98Å
235A98.6Very high97.8Very high0 Ų043.4 Ų43.40%022%0.222CC..THydrogen-bonded Turntrans-69.8-18.5164.300000111.9V166 D192 G233 N237V166-A235 HydrophobicContact CG2-CB 3.88Å; D192-A235 HydrophobicContact CB-CB 4.09Å; D192-A235 WeakPolarHBondContact O-CB 3.37Å; D192-A235 PolarHBondContact O-N 3.11Å; G233-A235 PolarHBondContact O-N 3.04Å; A235-N237 PolarHBondContact O-N 3.19Å
236E96.9Very high98.2Very high148 Ų14843.3 Ų43.369%0.69222%0.222SC*.  trans59.122.3-179.3-54.2-177.814400113.5G233 L234G233-E236 PolarHBondContact O-N 2.86Å; L234-E236 PolarHBondContact O-N 2.98Å
237N98.5Very high98.2Very high6 Ų644.7 Ų44.73%0.03223%0.228CC..PPolyproline II helixtrans-64.7147168.564.2-81.3000109.8Q164 V166 A193 Q194 A235 V239Q164-N237 HydrophobicContact CB-CB 3.9Å; Q164-N237 HydrophobicContact CG-CB 4.19Å; V166-N237 HydrophobicContact CG2-CB 4.25Å; A193-N237 WeakPolarHBondContact CA-OD1 3.28Å; Q194-N237 VanDerWaalsContact CB-O 3.32Å; Q194-N237 WeakPolarHBondContact CB-O 3.39Å; Q194-N237 PolarHBondContact N-OD1 2.85Å; Q194-N237 PolarHBondContact O-ND2 3.35Å; A235-N237 PolarHBondContact O-N 3.19Å; N237-V239 PolarHBondContact O-N 3.04Å
238P98Very high98.3Very high77 Ų7751 Ų5150%0.526%0.257SS..PPolyproline II helixtrans-50.7139.5163-26.332.7000110.8N162 I240N162-P238 HydrophobicContact CB-CB 4.31Å; N162-P238 HydrophobicContact CB-CG 3.98Å; N162-P238 PolarHBondContact ND2-O 2.95Å; P238-I240 PolarHBondContact O-N 2.87Å
239V98.3Very high98.3Very high62 Ų6252.8 Ų52.838%0.37627%0.266SS..PPolyproline II helixtrans-46.6129.4-178.3-179.20000109.9Q194 N237 E241Q194-V239 HydrophobicContact CG-CB 4.3Å; Q194-V239 HydrophobicContact CG-CG2 3.67Å; N237-V239 PolarHBondContact O-N 3.04Å; V239-E241 PolarHBondContact O-N 3.42Å
240I98.7Very high98.3Very high2 Ų252.8 Ų52.81%0.0127%0.266CS..BIsolated β-bridgetrans-71.2115.6178-64.6170.7000108.9I161 A193 Q194 I195 L199 P238 A246 F247 F250I161-I240 HydrophobicContact CG2-CD1 4.19Å; I161-I240 HydrophobicContact CG2-CG1 4.19Å; A193-I240 HydrophobicContact CB-CD1 4.15Å; Q194-I240 PolarHBondContact O-N 3.49Å; I195-I240 HydrophobicContact CB-CB 4.29Å; I195-I240 HydrophobicContact CB-CD1 4.34Å; I195-I240 HydrophobicContact CD1-CB 4.43Å; I195-I240 HydrophobicContact CD1-CG2 4.39Å; I195-I240 HydrophobicContact CG1-CB 4.25Å; L199-I240 HydrophobicContact CD2-CG2 4.2Å; L199-I240 VanDerWaalsContact CD2-O 3.31Å; L199-I240 WeakPolarHBondContact CD2-O 3.39Å; P238-I240 PolarHBondContact O-N 2.87Å; I240-A246 HydrophobicContact CG1-CB 4.29Å; I240-A246 HydrophobicContact CG2-CB 4.34Å; I240-F247 HydrophobicContact CG2-CB 3.92Å; I240-F250 HydrophobicContact CD1-CB 3.84Å; I240-F250 HydrophobicContact CD1-CD2 3.62Å; I240-F250 HydrophobicContact CD1-CE2 4.39Å; I240-F250 HydrophobicContact CD1-CG 3.82Å
241E98.3Very high98.3Very high124 Ų12453.9 Ų53.958%0.57927%0.272SS*.  trans-94.9143178.2-66.2-61.915100111.5V239 S244 F247V239-E241 PolarHBondContact O-N 3.42Å; E241-S244 VanDerWaalsContact O-CB 3.23Å; E241-S244 WeakPolarHBondContact O-CB 3.48Å; E241-S244 PolarHBondContact O-N 3.39Å; E241-S244 PolarHBondContact O-OG 3.45Å; E241-F247 VanDerWaalsContact O-CB 3.24Å; E241-F247 WeakPolarHBondContact O-CB 3.41Å
242K97.9Very high98.3Very high98 Ų9855.9 Ų55.943%0.42629%0.289SS..THydrogen-bonded Turntrans-58.3143.6178-171171.5-175162.60111.7L199 E202 S244L199-K242 HydrophobicContact CD1-CB 3.92Å; L199-K242 HydrophobicContact CD1-CD 4.18Å; L199-K242 HydrophobicContact CD1-CG 4.02Å; L199-K242 HydrophobicContact CD2-CB 4.46Å; E202-K242 VanDerWaalsContact OE1-CE 3.28Å; E202-K242 WeakPolarHBondContact OE1-CE 3.42Å; E202-K242 IonicContact OE1-NZ 2.68Å; E202-K242 PolarHBondContact OE1-NZ 3.04Å; E202-K242 IonicContact OE2-NZ 2.9Å; E202-K242 PolarHBondContact OE2-NZ 2.65Å; K242-S244 PolarHBondContact O-N 3.39Å
243N95.2Very high98.3Very high132 Ų13255.4 Ų55.471%0.70629%0.287SS*.THydrogen-bonded Turntrans59.718.9-178.4-50.1-44.1000114.6
244S98.1Very high98.3Very high31 Ų3155 Ų5522%0.21728%0.282CS..SBendtrans-91.1164.1169.671.90000111.3E241 K242 A246 F247 E248E241-S244 VanDerWaalsContact O-CB 3.23Å; E241-S244 WeakPolarHBondContact O-CB 3.48Å; E241-S244 PolarHBondContact O-N 3.39Å; E241-S244 PolarHBondContact O-OG 3.45Å; K242-S244 PolarHBondContact O-N 3.39Å; S244-A246 PolarHBondContact O-N 2.92Å; S244-A246 PolarHBondContact OG-N 3Å; S244-F247 WeakPolarHBondContact O-CB 3.39Å; S244-F247 PolarHBondContact O-N 3.47Å; S244-F247 VanDerWaalsContact O-N 3.1Å; S244-F247 PolarHBondContact OG-N 2.71Å; S244-F247 VanDerWaalsContact OG-N 3.09Å; S244-E248 PolarHBondContact O-N 2.84Å; S244-E248 VanDerWaalsContact O-N 3.09Å
245K98.3Very high98.2Very high154 Ų15454.4 Ų54.467%0.6728%0.278SS*.Hα-helixtrans-56.2-39.3169.6-174.8-176.2175.7-173.40111.7F247 E248 Q249K245-F247 VanDerWaalsContact C-N 3.28Å; K245-F247 PolarHBondContact O-N 3.06Å; K245-E248 PolarHBondContact O-N 2.83Å; K245-Q249 HydrophobicContact CG-CG 4.48Å; K245-Q249 VanDerWaalsContact O-CG 3.31Å; K245-Q249 WeakPolarHBondContact O-CG 3.42Å; K245-Q249 PolarHBondContact O-N 2.89Å; K245-Q249 PolarHBondContact O-OE1 3.31Å
246A98.5Very high98.2Very high1 Ų157.1 Ų57.11%0.00829%0.292CS..Hα-helixtrans-60.9-39.2177.200000112I161 I240 S244 Q249 F250I161-A246 HydrophobicContact CG2-CB 3.59Å; I240-A246 HydrophobicContact CG1-CB 4.29Å; I240-A246 HydrophobicContact CG2-CB 4.34Å; S244-A246 PolarHBondContact O-N 2.92Å; S244-A246 PolarHBondContact OG-N 3Å; A246-Q249 PolarHBondContact O-N 3Å; A246-F250 WeakPolarHBondContact O-CB 3.17Å; A246-F250 PolarHBondContact O-N 2.8Å
247F98.6Very high98.3Very high31 Ų3150.1 Ų50.114%0.13626%0.259CS..Hα-helixtrans-64.8-45.6174.3171.6-101.6000111.8L199 I203 I240 E241 S244 K245 Q249 F250 V251L199-F247 HydrophobicContact CD1-CD2 3.9Å; L199-F247 HydrophobicContact CD1-CE2 3.47Å; L199-F247 VanDerWaalsContact CD1-CE2 3.47Å; L199-F247 HydrophobicContact CD1-CZ 4.34Å; L199-F247 HydrophobicContact CD2-CD2 3.75Å; L199-F247 HydrophobicContact CD2-CE2 4.18Å; L199-F247 HydrophobicContact CG-CD2 3.97Å; L199-F247 HydrophobicContact CG-CE2 3.88Å; I203-F247 HydrophobicContact CD1-CD2 4.05Å; I203-F247 HydrophobicContact CD1-CE2 3.66Å; I203-F247 HydrophobicContact CG1-CE2 3.73Å; I203-F247 HydrophobicContact CG1-CZ 4.4Å; I240-F247 HydrophobicContact CG2-CB 3.92Å; E241-F247 VanDerWaalsContact O-CB 3.24Å; E241-F247 WeakPolarHBondContact O-CB 3.41Å; S244-F247 WeakPolarHBondContact O-CB 3.39Å; S244-F247 PolarHBondContact O-N 3.47Å; S244-F247 VanDerWaalsContact O-N 3.1Å; S244-F247 PolarHBondContact OG-N 2.71Å; S244-F247 VanDerWaalsContact OG-N 3.09Å; K245-F247 VanDerWaalsContact C-N 3.28Å; K245-F247 PolarHBondContact O-N 3.06Å; F247-Q249 VanDerWaalsContact C-N 3.33Å; F247-Q249 PolarHBondContact O-N 2.88Å; F247-F250 PolarHBondContact O-N 2.75Å; F247-V251 HydrophobicContact CD1-CG2 4.29Å; F247-V251 HydrophobicContact CD2-CG2 4Å; F247-V251 HydrophobicContact CE1-CG2 4Å; F247-V251 HydrophobicContact CE2-CG2 3.7Å; F247-V251 HydrophobicContact CG-CG2 4.3Å; F247-V251 HydrophobicContact CZ-CG2 3.7Å; F247-V251 WeakPolarHBondContact O-CB 3.23Å; F247-V251 WeakPolarHBondContact O-CG2 3.39Å; F247-V251 PolarHBondContact O-N 3.28Å
248E98.5Very high98.3Very high131 Ų13149.8 Ų49.861%0.61226%0.258SS*.Hα-helixtrans-59.5-43.4176.2-67175179.500112.2S244 K245 V251 A252S244-E248 PolarHBondContact O-N 2.84Å; S244-E248 VanDerWaalsContact O-N 3.09Å; K245-E248 PolarHBondContact O-N 2.83Å; E248-V251 PolarHBondContact O-N 3.25Å; E248-A252 WeakPolarHBondContact O-CB 3.46Å; E248-A252 PolarHBondContact O-N 2.87Å
249Q98.7Very high98.3Very high38 Ų3848.3 Ų48.318%0.17824%0.244CC..Hα-helixtrans-61.8-50.3175.9-69.2176.1-76.900111.2E160 I161 K245 A246 F247 V251 A252 M253E160-Q249 PolarHBondContact O-NE2 2.7Å; I161-Q249 HydrophobicContact CD1-CB 4.16Å; I161-Q249 HydrophobicContact CG1-CB 4.06Å; K245-Q249 HydrophobicContact CG-CG 4.48Å; K245-Q249 VanDerWaalsContact O-CG 3.31Å; K245-Q249 WeakPolarHBondContact O-CG 3.42Å; K245-Q249 PolarHBondContact O-N 2.89Å; K245-Q249 PolarHBondContact O-OE1 3.31Å; A246-Q249 PolarHBondContact O-N 3Å; F247-Q249 VanDerWaalsContact C-N 3.33Å; F247-Q249 PolarHBondContact O-N 2.88Å; Q249-V251 VanDerWaalsContact C-N 3.33Å; Q249-V251 PolarHBondContact O-N 2.7Å; Q249-A252 WeakPolarHBondContact O-CB 2.93Å; Q249-A252 PolarHBondContact O-N 2.67Å; Q249-A252 VanDerWaalsContact O-N 3.13Å; Q249-M253 WeakPolarHBondContact O-CG 3.28Å; Q249-M253 PolarHBondContact O-N 3.33Å
250F98.8Very high98.3Very high0 Ų046.9 Ų46.90%024%0.236CC..Hα-helixtrans-63-38.3179-174.2-89.5000112.6I161 M168 T191 A193 I195 L200 I203 I240 A246 F247 A252 M253 F254I161-F250 HydrophobicContact CD1-CB 4.01Å; I161-F250 HydrophobicContact CD1-CD2 4.35Å; M168-F250 HydrophobicContact CE-CD2 3.98Å; M168-F250 HydrophobicContact CE-CE1 4.03Å; M168-F250 HydrophobicContact CE-CE2 3.41Å; M168-F250 VanDerWaalsContact CE-CE2 3.41Å; M168-F250 HydrophobicContact CE-CZ 3.45Å; M168-F250 VanDerWaalsContact CE-CZ 3.45Å; T191-F250 HydrophobicContact CG2-CE2 4.04Å; T191-F250 HydrophobicContact CG2-CZ 4.11Å; A193-F250 HydrophobicContact CB-CD2 3.9Å; A193-F250 HydrophobicContact CB-CE2 3.49Å; A193-F250 VanDerWaalsContact CB-CE2 3.49Å; I195-F250 HydrophobicContact CD1-CD1 3.8Å; I195-F250 HydrophobicContact CD1-CE1 3.62Å; I195-F250 HydrophobicContact CD1-CG 4.42Å; I195-F250 HydrophobicContact CD1-CZ 4.1Å; I195-F250 HydrophobicContact CG2-CZ 4.25Å; L200-F250 HydrophobicContact CD1-CE1 4.11Å; L200-F250 HydrophobicContact CD1-CZ 3.98Å; I203-F250 HydrophobicContact CD1-CD1 3.62Å; I203-F250 HydrophobicContact CD1-CE1 3.82Å; I240-F250 HydrophobicContact CD1-CB 3.84Å; I240-F250 HydrophobicContact CD1-CD2 3.62Å; I240-F250 HydrophobicContact CD1-CE2 4.39Å; I240-F250 HydrophobicContact CD1-CG 3.82Å; A246-F250 WeakPolarHBondContact O-CB 3.17Å; A246-F250 PolarHBondContact O-N 2.8Å; F247-F250 PolarHBondContact O-N 2.75Å; F250-A252 VanDerWaalsContact C-N 3.33Å; F250-A252 PolarHBondContact O-N 3.32Å; F250-M253 WeakPolarHBondContact O-CB 3.48Å; F250-M253 PolarHBondContact O-N 3.32Å; F250-F254 WeakPolarHBondContact O-CB 3.1Å; F250-F254 PolarHBondContact O-N 3.44Å
251V98.7Very high98.3Very high24 Ų2446.8 Ų46.815%0.14524%0.235CC..Hα-helixtrans-64.6-38.4174.8169.50000111.3I203 F247 E248 Q249 F254 Q255I203-V251 HydrophobicContact CD1-CG2 3.84Å; I203-V251 HydrophobicContact CG1-CG2 3.93Å; I203-V251 HydrophobicContact CG2-CG2 4.42Å; F247-V251 HydrophobicContact CD1-CG2 4.29Å; F247-V251 HydrophobicContact CD2-CG2 4Å; F247-V251 HydrophobicContact CE1-CG2 4Å; F247-V251 HydrophobicContact CE2-CG2 3.7Å; F247-V251 HydrophobicContact CG-CG2 4.3Å; F247-V251 HydrophobicContact CZ-CG2 3.7Å; F247-V251 WeakPolarHBondContact O-CB 3.23Å; F247-V251 WeakPolarHBondContact O-CG2 3.39Å; F247-V251 PolarHBondContact O-N 3.28Å; E248-V251 PolarHBondContact O-N 3.25Å; Q249-V251 VanDerWaalsContact C-N 3.33Å; Q249-V251 PolarHBondContact O-N 2.7Å; V251-F254 PolarHBondContact O-N 3.47Å; V251-Q255 WeakPolarHBondContact O-CB 3.42Å; V251-Q255 PolarHBondContact O-N 2.57Å
252A98.7Very high98.3Very high45 Ų4540.9 Ų40.937%0.37221%0.208SC..Hα-helixtrans-65.8-41.3174.900000111.4M1 E248 Q249 F250 Q255 L256M1-A252 VanDerWaalsContact CE-C 3.43Å; M1-A252 HydrophobicContact CE-CB 3.59Å; E248-A252 WeakPolarHBondContact O-CB 3.46Å; E248-A252 PolarHBondContact O-N 2.87Å; Q249-A252 WeakPolarHBondContact O-CB 2.93Å; Q249-A252 PolarHBondContact O-N 2.67Å; Q249-A252 VanDerWaalsContact O-N 3.13Å; F250-A252 VanDerWaalsContact C-N 3.33Å; F250-A252 PolarHBondContact O-N 3.32Å; A252-Q255 PolarHBondContact O-N 3.29Å; A252-L256 PolarHBondContact O-N 2.67Å
253M98.8Very high98.3Very high0 Ų038.6 Ų38.60%020%0.198CC..Hα-helixtrans-57.2-52.3172.7-71.2-175.680.300110.8M1 I157 E159 I161 V166 M168 Q249 F250 Q255 L256 V257M1-M253 HydrophobicContact CE-CB 4.32Å; M1-M253 HydrophobicContact CE-CG 3.8Å; M1-M253 VanDerWaalsContact CE-N 3.3Å; M1-M253 HydrophobicContact CG-CG 4.43Å; M1-M253 HydrophobicContact SD-CG 4.35Å; I157-M253 HydrophobicContact CD1-CB 3.39Å; I157-M253 HydrophobicContact CD1-CE 3.88Å; I157-M253 HydrophobicContact CD1-CG 3.77Å; I157-M253 WeakPolarHBondContact CD1-O 3.37Å; I157-M253 HydrophobicContact CG1-CE 3.83Å; E159-M253 HydrophobicContact CB-CE 4.1Å; E159-M253 HydrophobicContact CB-CG 4.03Å; E159-M253 HydrophobicContact CB-SD 3.58Å; E159-M253 VanDerWaalsContact CB-SD 3.58Å; E159-M253 WeakPolarHBondContact OE2-CG 3.17Å; I161-M253 HydrophobicContact CD1-SD 3.7Å; V166-M253 HydrophobicContact CG1-CE 4.24Å; V166-M253 HydrophobicContact CG1-SD 4.27Å; M168-M253 HydrophobicContact CB-CE 3.81Å; M168-M253 HydrophobicContact CE-CB 4.07Å; M168-M253 HydrophobicContact SD-CB 4.31Å; Q249-M253 WeakPolarHBondContact O-CG 3.28Å; Q249-M253 PolarHBondContact O-N 3.33Å; F250-M253 WeakPolarHBondContact O-CB 3.48Å; F250-M253 PolarHBondContact O-N 3.32Å; M253-Q255 VanDerWaalsContact C-N 3.34Å; M253-Q255 PolarHBondContact O-N 2.93Å; M253-L256 PolarHBondContact O-N 3.33Å; M253-V257 PolarHBondContact O-N 2.78Å
254F98.8Very high98.4Very high0 Ų036 Ų360%018%0.18CC..Hα-helixtrans-60.5-42.2-178.9-166.2-81.8000112.5M168 I189 I203 L204 K207 V229 F250 V251 S258M168-F254 HydrophobicContact CE-CB 4.2Å; M168-F254 HydrophobicContact CE-CD2 4.19Å; M168-F254 HydrophobicContact SD-CB 4.26Å; M168-F254 HydrophobicContact SD-CD2 4.19Å; I189-F254 HydrophobicContact CD1-CE2 3.89Å; I189-F254 HydrophobicContact CD1-CZ 3.89Å; I203-F254 HydrophobicContact CG2-CB 4Å; I203-F254 HydrophobicContact CG2-CD1 3.83Å; I203-F254 HydrophobicContact CG2-CD2 4.1Å; I203-F254 HydrophobicContact CG2-CE1 4.39Å; I203-F254 HydrophobicContact CG2-CG 3.68Å; L204-F254 HydrophobicContact CB-CZ 4.24Å; L204-F254 HydrophobicContact CD1-CE1 4.38Å; L204-F254 HydrophobicContact CD1-CZ 3.71Å; K207-F254 HydrophobicContact CB-CD1 3.58Å; K207-F254 HydrophobicContact CB-CE1 3.67Å; K207-F254 HydrophobicContact CG-CD1 3.87Å; K207-F254 HydrophobicContact CG-CE1 4.4Å; V229-F254 HydrophobicContact CG1-CE2 4.16Å; V229-F254 HydrophobicContact CG2-CE2 3.81Å; V229-F254 HydrophobicContact CG2-CZ 4.05Å; F250-F254 WeakPolarHBondContact O-CB 3.1Å; F250-F254 PolarHBondContact O-N 3.44Å; V251-F254 PolarHBondContact O-N 3.47Å; F254-S258 WeakPolarHBondContact CD1-OG 3.2Å; F254-S258 WeakPolarHBondContact CE1-OG 3.13Å; F254-S258 VanDerWaalsContact O-CB 3.28Å; F254-S258 WeakPolarHBondContact O-CB 3.26Å; F254-S258 PolarHBondContact O-N 2.9Å; F254-S258 PolarHBondContact O-OG 3.01Å
255Q98.3Very high98.4Very high39 Ų3934.5 Ų34.518%0.18217%0.17CC..Hα-helixtrans-58.8-50.1175175.86838.500110.8V251 A252 M253 V257 S258 E259V251-Q255 WeakPolarHBondContact O-CB 3.42Å; V251-Q255 PolarHBondContact O-N 2.57Å; A252-Q255 PolarHBondContact O-N 3.29Å; M253-Q255 VanDerWaalsContact C-N 3.34Å; M253-Q255 PolarHBondContact O-N 2.93Å; Q255-V257 PolarHBondContact O-N 2.68Å; Q255-S258 PolarHBondContact O-N 2.71Å; Q255-E259 PolarHBondContact NE2-OE2 3.37Å; Q255-E259 WeakPolarHBondContact O-CB 3.43Å; Q255-E259 PolarHBondContact O-N 2.68Å
256L98.7Very high98.4Very high57 Ų5727.1 Ų27.130%0.29814%0.138SC..Hα-helixtrans-63.1-44.2-177.1-179.659.2000111.9M1 I3 I155 I157 A252 M253 T260M1-L256 HydrophobicContact SD-CB 4.2Å; M1-L256 HydrophobicContact SD-CD2 3.47Å; M1-L256 WeakPolarHBondContact SD-CD2 3.43Å; M1-L256 HydrophobicContact SD-CG 4.48Å; I3-L256 HydrophobicContact CD1-CD2 4.41Å; I3-L256 HydrophobicContact CG1-CD2 4.28Å; I155-L256 HydrophobicContact CD1-CG 4.43Å; I157-L256 HydrophobicContact CG2-CD2 4.08Å; A252-L256 PolarHBondContact O-N 2.67Å; M253-L256 PolarHBondContact O-N 3.33Å; L256-T260 VanDerWaalsContact O-CB 3.23Å; L256-T260 WeakPolarHBondContact O-CB 3.46Å; L256-T260 PolarHBondContact O-N 3.45Å; L256-T260 PolarHBondContact O-OG1 3.5Å
257V98.8Very high98.4Very high0 Ų032.3 Ų32.30%016%0.16CC..Hα-helixtrans-60.3-54176.1168.20000110.6I155 I157 M168 I189 M253 Q255 E259 T260 L261I155-V257 HydrophobicContact CG2-CB 4.22Å; I155-V257 HydrophobicContact CG2-CG1 3.93Å; I155-V257 HydrophobicContact CG2-CG2 4.16Å; I157-V257 HydrophobicContact CD1-CG2 3.54Å; I157-V257 HydrophobicContact CG1-CG2 3.64Å; M168-V257 HydrophobicContact CG-CG2 4.06Å; M168-V257 HydrophobicContact SD-CB 4.22Å; M168-V257 HydrophobicContact SD-CG2 3.9Å; I189-V257 HydrophobicContact CD1-CG1 3.99Å; I189-V257 HydrophobicContact CG1-CG1 4.08Å; I189-V257 HydrophobicContact CG2-CG1 4.48Å; M253-V257 PolarHBondContact O-N 2.78Å; Q255-V257 PolarHBondContact O-N 2.68Å; V257-E259 PolarHBondContact O-N 2.97Å; V257-T260 PolarHBondContact O-N 2.85Å; V257-L261 HydrophobicContact CG1-CD1 4.08Å; V257-L261 WeakPolarHBondContact O-CG 3.28Å; V257-L261 PolarHBondContact O-N 2.98Å
258S98.3Very high98.3Very high0 Ų031.6 Ų31.60%016%0.157CC..Hα-helixtrans-64.9-42.9-174.4-57.70000112T211 F254 Q255 A262T211-S258 WeakPolarHBondContact OG1-CB 3.42Å; F254-S258 WeakPolarHBondContact CD1-OG 3.2Å; F254-S258 WeakPolarHBondContact CE1-OG 3.13Å; F254-S258 VanDerWaalsContact O-CB 3.28Å; F254-S258 WeakPolarHBondContact O-CB 3.26Å; F254-S258 PolarHBondContact O-N 2.9Å; F254-S258 PolarHBondContact O-OG 3.01Å; Q255-S258 PolarHBondContact O-N 2.71Å; S258-A262 WeakPolarHBondContact O-CB 3.19Å; S258-A262 PolarHBondContact O-N 3.41Å
259E98Very high98.3Very high45 Ų4525.4 Ų25.421%0.2113%0.129CC..Hα-helixtrans-66.1-40.5177.4-171.1179.9134.200112T211 Q255 V257 A262 K263 W380T211-E259 HydrophobicContact CG2-CB 3.97Å; Q255-E259 PolarHBondContact NE2-OE2 3.37Å; Q255-E259 WeakPolarHBondContact O-CB 3.43Å; Q255-E259 PolarHBondContact O-N 2.68Å; V257-E259 PolarHBondContact O-N 2.97Å; E259-A262 PolarHBondContact O-N 3.14Å; E259-K263 HydrophobicContact CG-CD 4.26Å; E259-K263 WeakPolarHBondContact O-CB 3.32Å; E259-K263 WeakPolarHBondContact O-CG 3.25Å; E259-K263 PolarHBondContact O-N 3.39Å; E259-K263 IonicContact OE1-NZ 2.99Å; E259-K263 PolarHBondContact OE1-NZ 2.94Å; E259-W380 HydrophobicContact CG-CH2 3.76Å; E259-W380 HydrophobicContact CG-CZ2 3.95Å; E259-W380 HydrophobicContact CG-CZ3 4.49Å
260T98.4Very high98.1Very high33 Ų3324.2 Ų24.220%0.20212%0.124CC..Hα-helixtrans-64.3-46178.2-60.20000110.9I155 L256 V257 K263 K264I155-T260 HydrophobicContact CB-CG2 4.3Å; I155-T260 HydrophobicContact CD1-CG2 3.84Å; I155-T260 HydrophobicContact CG2-CG2 4.5Å; L256-T260 VanDerWaalsContact O-CB 3.23Å; L256-T260 WeakPolarHBondContact O-CB 3.46Å; L256-T260 PolarHBondContact O-N 3.45Å; L256-T260 PolarHBondContact O-OG1 3.5Å; V257-T260 PolarHBondContact O-N 2.85Å; T260-K263 PolarHBondContact O-N 2.95Å; T260-K264 HydrophobicContact CG2-CD 4.45Å; T260-K264 WeakPolarHBondContact O-CB 3.32Å; T260-K264 WeakPolarHBondContact O-CG 3.49Å; T260-K264 PolarHBondContact O-N 3.04Å
261L98.4Very high98Very high0 Ų025 Ų250%013%0.132CC..Hα-helixtrans-61.8-45.1175.9-69178.9000111.4K153 I155 A172 F212 V257 K263 K264 I265K153-L261 HydrophobicContact CB-CD2 4.41Å; K153-L261 WeakPolarHBondContact O-CD2 3.41Å; I155-L261 HydrophobicContact CG2-CD2 4.15Å; I155-L261 HydrophobicContact CG2-CG 4.09Å; A172-L261 HydrophobicContact CB-CB 4.25Å; A172-L261 HydrophobicContact CB-CD1 4.31Å; A172-L261 HydrophobicContact CB-CD2 4.25Å; F212-L261 HydrophobicContact CE1-CB 3.82Å; F212-L261 HydrophobicContact CZ-CB 4.12Å; F212-L261 HydrophobicContact CZ-CD1 4.15Å; V257-L261 HydrophobicContact CG1-CD1 4.08Å; V257-L261 WeakPolarHBondContact O-CG 3.28Å; V257-L261 PolarHBondContact O-N 2.98Å; L261-K263 PolarHBondContact O-N 3.43Å; L261-K264 PolarHBondContact O-N 3.42Å; L261-I265 VanDerWaalsContact O-CG1 3.32Å; L261-I265 WeakPolarHBondContact O-CG1 3.41Å; L261-I265 PolarHBondContact O-N 3.32Å
262A97.4Very high97.9Very high0 Ų025.1 Ų25.10%014%0.135CC..Hα-helixtrans-56.1-50.4176.500000111.5F212 I215 S258 E259 K264 I265 A266F212-A262 HydrophobicContact CD1-CB 4.18Å; I215-A262 HydrophobicContact CG2-CB 3.66Å; I215-A262 WeakPolarHBondContact CG2-O 3.38Å; S258-A262 WeakPolarHBondContact O-CB 3.19Å; S258-A262 PolarHBondContact O-N 3.41Å; E259-A262 PolarHBondContact O-N 3.14Å; A262-K264 VanDerWaalsContact C-N 3.34Å; A262-K264 PolarHBondContact O-N 3.08Å; A262-I265 PolarHBondContact O-N 3.45Å; A262-A266 PolarHBondContact O-N 3.47Å
263K97.9Very high97.9Very high50 Ų5026.7 Ų26.722%0.21714%0.14CC..Hα-helixtrans-60.4-40.8176.2-76.6172.4169.8166.80112.7E259 T260 L261 I265 A266 K267 W380E259-K263 HydrophobicContact CG-CD 4.26Å; E259-K263 WeakPolarHBondContact O-CB 3.32Å; E259-K263 WeakPolarHBondContact O-CG 3.25Å; E259-K263 PolarHBondContact O-N 3.39Å; E259-K263 IonicContact OE1-NZ 2.99Å; E259-K263 PolarHBondContact OE1-NZ 2.94Å; T260-K263 PolarHBondContact O-N 2.95Å; L261-K263 PolarHBondContact O-N 3.43Å; K263-I265 VanDerWaalsContact C-N 3.34Å; K263-A266 PolarHBondContact O-N 3.49Å; K263-K267 WeakPolarHBondContact O-CB 3.37Å; K263-K267 PolarHBondContact O-N 3.45Å; K263-W380 HydrophobicContact CG-CD2 4Å; K263-W380 HydrophobicContact CG-CG 3.95Å
264K98.3Very high97.9Very high76 Ų7627.2 Ų27.233%0.3314%0.143SC..Hα-helixtrans-63.5-38.1175.7-75.9-172.8174.4-167.10112.2K153 E154 T260 L261 A262 D268K153-K264 HydrophobicContact CB-CB 3.96Å; K153-K264 HydrophobicContact CB-CD 4.09Å; K153-K264 HydrophobicContact CD-CB 4.24Å; K153-K264 HydrophobicContact CG-CB 3.95Å; E154-K264 PolarHBondContact O-NZ 3.2Å; T260-K264 HydrophobicContact CG2-CD 4.45Å; T260-K264 WeakPolarHBondContact O-CB 3.32Å; T260-K264 WeakPolarHBondContact O-CG 3.49Å; T260-K264 PolarHBondContact O-N 3.04Å; L261-K264 PolarHBondContact O-N 3.42Å; A262-K264 VanDerWaalsContact C-N 3.34Å; A262-K264 PolarHBondContact O-N 3.08Å; K264-D268 WeakPolarHBondContact O-CB 3.45Å; K264-D268 PolarHBondContact O-N 2.86Å; K264-D268 VanDerWaalsContact O-N 3.12Å
265I97.7Very high97.9Very high0 Ų028 Ų280%015%0.147CC..Hα-helixtrans-65.7-49.3174.2-64.5164.4000110.3K153 A172 I178 M185 I215 L261 A262 K263 K267 D268 G269K153-I265 HydrophobicContact CD-CB 4.38Å; K153-I265 HydrophobicContact CD-CG1 3.67Å; A172-I265 HydrophobicContact CB-CD1 3.82Å; A172-I265 HydrophobicContact CB-CG1 4.24Å; I178-I265 HydrophobicContact CD1-CG2 4.01Å; I178-I265 HydrophobicContact CG1-CG2 4.14Å; I178-I265 HydrophobicContact CG2-CG2 3.97Å; M185-I265 HydrophobicContact CB-CD1 4.04Å; M185-I265 HydrophobicContact CG-CD1 3.82Å; M185-I265 HydrophobicContact SD-CD1 3.99Å; I215-I265 HydrophobicContact CD1-CB 3.67Å; I215-I265 HydrophobicContact CD1-CD1 3.97Å; I215-I265 HydrophobicContact CD1-CG1 4.46Å; I215-I265 HydrophobicContact CD1-CG2 3.46Å; I215-I265 VanDerWaalsContact CD1-CG2 3.46Å; L261-I265 VanDerWaalsContact O-CG1 3.32Å; L261-I265 WeakPolarHBondContact O-CG1 3.41Å; L261-I265 PolarHBondContact O-N 3.32Å; A262-I265 PolarHBondContact O-N 3.45Å; K263-I265 VanDerWaalsContact C-N 3.34Å; I265-K267 VanDerWaalsContact C-N 3.28Å; I265-K267 PolarHBondContact O-N 2.96Å; I265-D268 CarbonylContact O-C 3.41Å; I265-D268 PolarHBondContact O-N 3.13Å; I265-D268 VanDerWaalsContact O-N 3.09Å; I265-G269 PolarHBondContact O-N 3.46Å
266A97.6Very high97.9Very high0 Ų026.1 Ų26.10%014%0.138CC..Hα-helixtrans-60-39.7179.100000111.8I215 A262 K263 D268 G269 L275 W380 C382I215-A266 HydrophobicContact CB-CB 4.32Å; I215-A266 HydrophobicContact CG2-CB 4.21Å; A262-A266 PolarHBondContact O-N 3.47Å; K263-A266 PolarHBondContact O-N 3.49Å; A266-D268 VanDerWaalsContact C-N 3.3Å; A266-D268 PolarHBondContact O-N 2.98Å; A266-G269 PolarHBondContact O-N 3.08Å; A266-L275 HydrophobicContact CB-CD1 3.81Å; A266-W380 HydrophobicContact CB-CB 3.83Å; A266-C382 WeakPolarHBondContact O-CB 3.47Å
267K98.1Very high97.9Very high110 Ų11024.7 Ų24.748%0.47813%0.13SC..Hα-helixtrans-64.9-33.5175.8-175.9174-176.21740112.5K263 I265 G269 L275 E362K263-K267 WeakPolarHBondContact O-CB 3.37Å; K263-K267 PolarHBondContact O-N 3.45Å; I265-K267 VanDerWaalsContact C-N 3.28Å; I265-K267 PolarHBondContact O-N 2.96Å; K267-G269 VanDerWaalsContact C-N 3.3Å; K267-G269 PolarHBondContact O-N 3.1Å; K267-L275 HydrophobicContact CB-CB 4.46Å; K267-L275 HydrophobicContact CB-CD1 4.36Å; K267-E362 IonicContact NZ-OE2 2.8Å; K267-E362 PolarHBondContact NZ-OE2 2.92Å
268D97.6Very high97.9Very high15 Ų1524.9 Ų24.98%0.0813%0.131CC..THydrogen-bonded Turntrans-93.527.6-177.8-164.635.9000113.3D149 T150 K153 S175 K264 I265 A266D149-D268 WeakPolarHBondContact CA-OD2 3.1Å; T150-D268 VanDerWaalsContact CB-OD1 3.24Å; T150-D268 WeakPolarHBondContact CB-OD1 3.47Å; T150-D268 WeakPolarHBondContact CG2-OD1 3.49Å; T150-D268 PolarHBondContact N-OD1 2.84Å; T150-D268 PolarHBondContact N-OD2 3.41Å; T150-D268 PolarHBondContact OG1-OD1 3.38Å; K153-D268 VanDerWaalsContact CE-CB 3.41Å; K153-D268 VanDerWaalsContact CE-OD2 3.32Å; K153-D268 WeakPolarHBondContact CE-OD2 3.25Å; K153-D268 IonicContact NZ-OD2 2.77Å; K153-D268 PolarHBondContact NZ-OD2 3.28Å; S175-D268 VanDerWaalsContact CA-O 3.32Å; S175-D268 WeakPolarHBondContact CA-O 3.25Å; S175-D268 WeakPolarHBondContact CB-O 3.33Å; K264-D268 WeakPolarHBondContact O-CB 3.45Å; K264-D268 PolarHBondContact O-N 2.86Å; K264-D268 VanDerWaalsContact O-N 3.12Å; I265-D268 CarbonylContact O-C 3.41Å; I265-D268 PolarHBondContact O-N 3.13Å; I265-D268 VanDerWaalsContact O-N 3.09Å; A266-D268 VanDerWaalsContact C-N 3.3Å; A266-D268 PolarHBondContact O-N 2.98Å
269G97.5Very high97.9Very high2 Ų228.4 Ų28.42%0.02115%0.148CC..  trans-55.6147.5172.600000111.4S175 I265 A266 K267 G271 A272S175-G269 WeakPolarHBondContact O-CA 3.46Å; I265-G269 PolarHBondContact O-N 3.46Å; A266-G269 PolarHBondContact O-N 3.08Å; K267-G269 VanDerWaalsContact C-N 3.3Å; K267-G269 PolarHBondContact O-N 3.1Å; G269-G271 PolarHBondContact O-N 2.83Å; G269-A272 WeakPolarHBondContact O-CB 3.42Å; G269-A272 PolarHBondContact O-N 3.12Å
270E95Very high98Very high12 Ų1226.3 Ų26.36%0.05614%0.138CC..THydrogen-bonded Turntrans-56.3112.6-177.9-76.6174.3159.100112.3T148 S175 A272 Y388 V391 N392T148-E270 WeakPolarHBondContact CB-OE1 3.36Å; T148-E270 WeakPolarHBondContact CG2-OE1 3.26Å; T148-E270 PolarHBondContact OG1-OE1 3.38Å; S175-E270 PolarHBondContact O-N 3.35Å; E270-A272 PolarHBondContact O-N 3.32Å; E270-Y388 HydrophobicContact CB-CD2 3.92Å; E270-Y388 HydrophobicContact CB-CE2 4.38Å; E270-Y388 WeakPolarHBondContact O-CA 3.43Å; E270-Y388 VanDerWaalsContact O-CB 3.27Å; E270-Y388 WeakPolarHBondContact O-CB 3.32Å; E270-Y388 WeakPolarHBondContact O-CD2 3.05Å; E270-V391 HydrophobicContact CB-CG1 4.34Å; E270-V391 HydrophobicContact CG-CG1 4.19Å; E270-N392 PolarHBondContact OE2-ND2 3.45Å; E270-N392 PolarHBondContact OE2-OD1 2.92Å
271G96.3Very high98Very high18 Ų1826.4 Ų26.419%0.18614%0.139CC..THydrogen-bonded Turntrans70.111.7-177.200000114.8G269 T385G269-G271 PolarHBondContact O-N 2.83Å; G271-T385 WeakPolarHBondContact O-CB 3.17Å; G271-T385 WeakPolarHBondContact O-CG2 3.4Å; G271-T385 PolarHBondContact O-OG1 3.11Å
272A98.1Very high98Very high25 Ų2526.8 Ų26.821%0.20714%0.143CC..  trans-61.2144.7175.500000111.3G269 E270 C382 D383G269-A272 WeakPolarHBondContact O-CB 3.42Å; G269-A272 PolarHBondContact O-N 3.12Å; E270-A272 PolarHBondContact O-N 3.32Å; A272-C382 HydrophobicContact CB-CB 3.54Å; A272-D383 WeakPolarHBondContact CA-OD1 3.38Å
273T98.1Very high98Very high78 Ų7826.8 Ų26.848%0.47914%0.143SC..  trans-121.4-17.6171.169.70000112.5D383 T385T273-D383 PolarHBondContact N-OD1 2.96Å; T273-D383 PolarHBondContact N-OD2 3.47Å; T273-D383 PolarHBondContact OG1-OD2 3.44Å; T273-T385 HydrophobicContact CG2-CG2 4.23Å
274K98.5Very high98Very high12 Ų1228.8 Ų28.85%0.05216%0.155CC..  trans-134.2137.8-177.7-52.8-177.2-166.3-87.40111.2M306 E309 L359 E360 E362 I364 C382 D383K274-M306 WeakPolarHBondContact CD-O 3.43Å; K274-M306 VanDerWaalsContact CE-O 3.22Å; K274-M306 WeakPolarHBondContact CE-O 3.22Å; K274-E309 IonicContact NZ-OE1 3.04Å; K274-E309 PolarHBondContact NZ-OE1 2.66Å; K274-L359 WeakPolarHBondContact CE-O 3.21Å; K274-L359 PolarHBondContact NZ-O 3.11Å; K274-E360 PolarHBondContact NZ-O 2.82Å; K274-E362 CarbonylContact C-O 3.58Å; K274-E362 VanDerWaalsContact CA-O 3.27Å; K274-E362 WeakPolarHBondContact CA-O 3.45Å; K274-I364 HydrophobicContact CD-CD1 3.68Å; K274-C382 WeakPolarHBondContact O-CA 3.19Å; K274-C382 WeakPolarHBondContact O-CB 3.35Å; K274-D383 HydrophobicContact CB-CB 4.28Å; K274-D383 PolarHBondContact N-OD1 3.29Å; K274-D383 PolarHBondContact O-N 3.4Å
275L98.7Very high98Very high15 Ų1527.6 Ų27.68%0.07915%0.152CC..EExtended strand (participates in β ladder)trans-86.1127.7164.7176.368.7000108.9A266 K267 E277 E362 K363 I364 W380 G381A266-L275 HydrophobicContact CB-CD1 3.81Å; K267-L275 HydrophobicContact CB-CB 4.46Å; K267-L275 HydrophobicContact CB-CD1 4.36Å; L275-E277 HydrophobicContact CD2-CG 4.28Å; L275-E277 HydrophobicContact CG-CG 4.23Å; L275-E362 PolarHBondContact N-O 3.27Å; L275-K363 WeakPolarHBondContact O-CA 3.38Å; L275-I364 PolarHBondContact O-N 3.03Å; L275-W380 HydrophobicContact CD1-CB 4.3Å; L275-G381 WeakPolarHBondContact CD1-O 3.4Å
276I98.7Very high98Very high0 Ų028.2 Ų28.20%016%0.159CC..EExtended strand (participates in β ladder)trans-107.8120.9175.4-51168.9000107.7V297 M306 I364 I366 W380 G381 C382I276-V297 HydrophobicContact CB-CG1 4.27Å; I276-V297 HydrophobicContact CG2-CG1 3.92Å; I276-M306 HydrophobicContact CD1-CB 3.8Å; I276-M306 HydrophobicContact CD1-CG 3.6Å; I276-M306 HydrophobicContact CG1-CB 4.22Å; I276-M306 HydrophobicContact CG1-CG 4.04Å; I276-I364 WeakPolarHBondContact CA-O 3.2Å; I276-I366 HydrophobicContact CG2-CD1 3.7Å; I276-I366 HydrophobicContact CG2-CG1 4.39Å; I276-W380 WeakPolarHBondContact O-CA 3.43Å; I276-G381 PolarHBondContact N-O 2.75Å; I276-G381 PolarHBondContact O-N 2.75Å; I276-C382 WeakPolarHBondContact CD1-O 3.44Å
277E98.8Very high97.9Very high27 Ų2731.6 Ų31.613%0.12618%0.182CC..EExtended strand (participates in β ladder)trans-108.5116.9172.2-44.5-155.4163.600109.2L275 K363 I364 N365 I366L275-E277 HydrophobicContact CD2-CG 4.28Å; L275-E277 HydrophobicContact CG-CG 4.23Å; E277-K363 HydrophobicContact CG-CD 4.35Å; E277-K363 HydrophobicContact CG-CG 4.37Å; E277-K363 WeakPolarHBondContact OE1-CE 3.24Å; E277-K363 IonicContact OE1-NZ 2.71Å; E277-K363 PolarHBondContact OE1-NZ 2.96Å; E277-K363 VanDerWaalsContact OE2-CE 3.3Å; E277-K363 WeakPolarHBondContact OE2-CE 3.35Å; E277-K363 IonicContact OE2-NZ 2.68Å; E277-K363 PolarHBondContact OE2-NZ 2.9Å; E277-I364 PolarHBondContact N-O 2.9Å; E277-N365 WeakPolarHBondContact O-CA 3.44Å; E277-I366 PolarHBondContact O-N 3.41Å
278A98.8Very high97.9Very high4 Ų427.6 Ų27.63%0.03317%0.165CC..EExtended strand (participates in β ladder)trans-101125.9172.600000109.9A293 V296 V297 I366 Q378 A379A278-A293 HydrophobicContact CB-CB 4.18Å; A278-V296 HydrophobicContact CB-CB 4.24Å; A278-V296 HydrophobicContact CB-CG1 4.12Å; A278-V297 HydrophobicContact CB-CG1 3.6Å; A278-I366 CarbonylContact C-O 3.58Å; A278-I366 VanDerWaalsContact CA-O 3.32Å; A278-I366 WeakPolarHBondContact CA-O 3.45Å; A278-Q378 CarbonylContact O-C 3.54Å; A278-Q378 VanDerWaalsContact O-CA 3.23Å; A278-Q378 WeakPolarHBondContact O-CA 3.38Å; A278-A379 PolarHBondContact N-O 2.96Å; A278-A379 PolarHBondContact O-N 3.46Å
279Q98.8Very high97.9Very high75 Ų7526.9 Ų26.935%0.3516%0.162SC..EExtended strand (participates in β ladder)trans-111.6126.7170.5-179.6168.424.400109.5V281 I366 T367 V368 Q378Q279-V281 HydrophobicContact CG-CG1 4.06Å; Q279-I366 PolarHBondContact N-O 3.03Å; Q279-T367 CarbonylContact O-C 3.57Å; Q279-T367 WeakPolarHBondContact O-CA 3.31Å; Q279-V368 PolarHBondContact O-N 3.34Å; Q279-Q378 HydrophobicContact CB-CG 4.14Å; Q279-Q378 HydrophobicContact CG-CG 4.02Å
280V98.8Very high97.9Very high1 Ų129 Ų291%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-114.8129174.61800000108.3A289 V292 A293 V368 L370 S376 G377V280-A289 HydrophobicContact CB-CB 4.16Å; V280-A289 WeakPolarHBondContact CB-O 3.3Å; V280-A289 HydrophobicContact CG1-CB 4.02Å; V280-V292 HydrophobicContact CG1-CB 4.21Å; V280-V292 HydrophobicContact CG1-CG1 4.23Å; V280-V292 HydrophobicContact CG2-CB 3.89Å; V280-V292 HydrophobicContact CG2-CG1 3.63Å; V280-A293 HydrophobicContact CB-CB 4.48Å; V280-A293 HydrophobicContact CG2-CB 3.76Å; V280-V368 CarbonylContact C-O 3.55Å; V280-V368 VanDerWaalsContact CA-O 3.28Å; V280-V368 WeakPolarHBondContact CA-O 3.47Å; V280-V368 HydrophobicContact CG2-CB 4.32Å; V280-L370 HydrophobicContact CG1-CD1 3.85Å; V280-L370 HydrophobicContact CG1-CG 3.89Å; V280-S376 CarbonylContact O-C 3.54Å; V280-S376 WeakPolarHBondContact O-CA 3.27Å; V280-S376 WeakPolarHBondContact O-CB 3.29Å; V280-G377 PolarHBondContact N-O 3.23Å; V280-G377 PolarHBondContact O-N 3.21Å; V280-G377 VanDerWaalsContact O-O 3.13Å
281V98.8Very high98Very high35 Ų3531.9 Ų31.921%0.21218%0.184CC..EExtended strand (participates in β ladder)trans-126.9172.7176.2-58.70000109.6Q279 A283 V368 D369 L370 Q375Q279-V281 HydrophobicContact CG-CG1 4.06Å; V281-A283 VanDerWaalsContact C-N 3.26Å; V281-A283 PolarHBondContact O-N 2.94Å; V281-V368 PolarHBondContact N-O 2.92Å; V281-D369 HydrophobicContact CG2-CB 3.74Å; V281-L370 PolarHBondContact O-N 2.9Å; V281-Q375 CarbonylContact C-O 3.49Å
282G98.5Very high98.1Very high8 Ų831 Ų318%0.08218%0.176CC..EExtended strand (participates in β ladder)trans68.322.1177.200000114.6D369 N371 I372 G373 Q375G282-D369 WeakPolarHBondContact CA-OD1 3.29Å; G282-N371 PolarHBondContact O-N 3.29Å; G282-I372 CarbonylContact O-C 3.58Å; G282-I372 VanDerWaalsContact O-CG1 3.29Å; G282-I372 WeakPolarHBondContact O-CG1 3.26Å; G282-I372 PolarHBondContact O-N 2.8Å; G282-G373 CarbonylContact C-O 3.58Å; G282-G373 VanDerWaalsContact CA-O 3.27Å; G282-G373 WeakPolarHBondContact CA-O 3.25Å; G282-G373 PolarHBondContact O-N 2.81Å; G282-Q375 PolarHBondContact N-O 2.79Å
283A98.4Very high98.2Very high0 Ų029.9 Ų29.90%017%0.166CC..EExtended strand (participates in β ladder)trans-87.7161.417800000111.9V281 A289 L370 G373 E374 Q375V281-A283 VanDerWaalsContact C-N 3.26Å; V281-A283 PolarHBondContact O-N 2.94Å; A283-A289 HydrophobicContact CB-CB 3.68Å; A283-L370 HydrophobicContact CB-CD1 3.93Å; A283-G373 CarbonylContact O-C 3.52Å; A283-G373 WeakPolarHBondContact O-CA 3.41Å; A283-E374 PolarHBondContact O-N 3.09Å; A283-E374 VanDerWaalsContact O-N 3.16Å; A283-Q375 PolarHBondContact N-O 2.9Å; A283-Q375 WeakPolarHBondContact O-CB 3.11Å; A283-Q375 PolarHBondContact O-N 3.03Å
284L97.8Very high98.2Very high92 Ų9227.3 Ų27.348%0.48215%0.148SC..SBendtrans-66.9-38.2174.6-69.1177.7000112.9H326 I372L284-H326 HydrophobicContact CD1-CB 3.71Å; L284-I372 WeakPolarHBondContact CD2-O 3.48Å; L284-I372 HydrophobicContact CG-CD1 4.1Å; L284-I372 HydrophobicContact CG-CG1 4.35Å
285N97.4Very high98.1Very high51 Ų5130.6 Ų30.627%0.27316%0.162SC..SBendtrans-144.4154.217962.670.9000111.3S287 E288 A289N285-S287 VanDerWaalsContact C-N 3.29Å; N285-S287 PolarHBondContact O-N 3.43Å; N285-S287 PolarHBondContact OD1-N 2.91Å; N285-S287 PolarHBondContact OD1-OG 3.09Å; N285-E288 VanDerWaalsContact ND2-CD 3.31Å; N285-E288 PolarHBondContact ND2-OE1 3.15Å; N285-E288 PolarHBondContact O-N 3.01Å; N285-E288 WeakPolarHBondContact OD1-CB 3.34Å; N285-E288 VanDerWaalsContact OD1-CG 3.32Å; N285-E288 WeakPolarHBondContact OD1-CG 3.34Å; N285-E288 PolarHBondContact OD1-N 2.88Å; N285-A289 PolarHBondContact O-N 2.84Å
286G97.2Very high98.1Very high13 Ų1330 Ų3013%0.13416%0.159CC..Hα-helixtrans-65-30.2-176.300000113.8A289 R290G286-A289 PolarHBondContact O-N 3.13Å; G286-R290 VanDerWaalsContact C-NH1 3.3Å; G286-R290 WeakPolarHBondContact O-CB 3.47Å; G286-R290 VanDerWaalsContact O-CG 3.3Å; G286-R290 WeakPolarHBondContact O-CG 3.45Å; G286-R290 PolarHBondContact O-N 2.86Å; G286-R290 PolarHBondContact O-NH1 3.16Å
287S96.3Very high98.1Very high70 Ų7030 Ų3049%0.4916%0.159SC..Hα-helixtrans-65.3-40175.834.90000112.5N285 R290 L291N285-S287 VanDerWaalsContact C-N 3.29Å; N285-S287 PolarHBondContact O-N 3.43Å; N285-S287 PolarHBondContact OD1-N 2.91Å; N285-S287 PolarHBondContact OD1-OG 3.09Å; S287-R290 PolarHBondContact O-N 2.86Å; S287-L291 WeakPolarHBondContact O-CB 3.48Å; S287-L291 PolarHBondContact O-N 3.26Å
288E97.3Very high98.1Very high27 Ų2729.9 Ų29.913%0.12617%0.165CC..Hα-helixtrans-68.5-42.6175.6-79-179.7-143.700111.8N285 R290 L291 V292 H326N285-E288 VanDerWaalsContact ND2-CD 3.31Å; N285-E288 PolarHBondContact ND2-OE1 3.15Å; N285-E288 PolarHBondContact O-N 3.01Å; N285-E288 WeakPolarHBondContact OD1-CB 3.34Å; N285-E288 VanDerWaalsContact OD1-CG 3.32Å; N285-E288 WeakPolarHBondContact OD1-CG 3.34Å; N285-E288 PolarHBondContact OD1-N 2.88Å; E288-R290 VanDerWaalsContact C-N 3.28Å; E288-R290 PolarHBondContact O-N 2.83Å; E288-L291 WeakPolarHBondContact O-CB 3.48Å; E288-L291 PolarHBondContact O-N 2.83Å; E288-L291 VanDerWaalsContact O-N 3.16Å; E288-V292 WeakPolarHBondContact O-CG2 3.41Å; E288-V292 PolarHBondContact O-N 2.99Å; E288-H326 VanDerWaalsContact CD-ND1 3.29Å; E288-H326 IonicContact OE1-CE1 2.73Å; E288-H326 PolarHBondContact OE1-CE1 3.11Å; E288-H326 IonicContact OE1-ND1 3.66Å; E288-H326 PolarHBondContact OE1-ND1 2.97Å; E288-H326 WeakPolarHBondContact OE2-CB 3.26Å; E288-H326 IonicContact OE2-CG 2.83Å; E288-H326 PolarHBondContact OE2-N 2.99Å; E288-H326 IonicContact OE2-ND1 3.48Å; E288-H326 PolarHBondContact OE2-ND1 2.92Å
289A98.6Very high98.1Very high0 Ų030.1 Ų30.10%017%0.167CC..Hα-helixtrans-57.7-43.9174.300000111.6V280 A283 N285 G286 V292 A293 G377V280-A289 HydrophobicContact CB-CB 4.16Å; V280-A289 WeakPolarHBondContact CB-O 3.3Å; V280-A289 HydrophobicContact CG1-CB 4.02Å; A283-A289 HydrophobicContact CB-CB 3.68Å; N285-A289 PolarHBondContact O-N 2.84Å; G286-A289 PolarHBondContact O-N 3.13Å; A289-V292 PolarHBondContact O-N 3.31Å; A289-A293 WeakPolarHBondContact O-CB 3.43Å; A289-A293 PolarHBondContact O-N 3.27Å; A289-G377 VanDerWaalsContact CB-N 3.26Å
290R97.8Very high98.1Very high46 Ų4630.2 Ų30.217%0.17418%0.176CC..Hα-helixtrans-64-39.1175.8-79-162.9-40.9-84.97.3113E209 Q214 G286 S287 E288 A293 K294E209-R290 WeakPolarHBondContact O-CD 3.21Å; E209-R290 PolarHBondContact O-NE 2.95Å; Q214-R290 HydrophobicContact CG-CG 4.34Å; Q214-R290 PolarHBondContact NE2-O 2.72Å; Q214-R290 VanDerWaalsContact NE2-O 3.11Å; G286-R290 VanDerWaalsContact C-NH1 3.3Å; G286-R290 WeakPolarHBondContact O-CB 3.47Å; G286-R290 VanDerWaalsContact O-CG 3.3Å; G286-R290 WeakPolarHBondContact O-CG 3.45Å; G286-R290 PolarHBondContact O-N 2.86Å; G286-R290 PolarHBondContact O-NH1 3.16Å; S287-R290 PolarHBondContact O-N 2.86Å; E288-R290 VanDerWaalsContact C-N 3.28Å; E288-R290 PolarHBondContact O-N 2.83Å; R290-A293 PolarHBondContact O-N 2.67Å; R290-K294 VanDerWaalsContact O-CB 3.3Å; R290-K294 WeakPolarHBondContact O-CB 3.47Å; R290-K294 PolarHBondContact O-N 2.88Å
291L96.9Very high98Very high73 Ų7335 Ų3538%0.38220%0.201SC..Hα-helixtrans-62-47.4175.717763.8000111.3S287 E288 K294 K295 A323S287-L291 WeakPolarHBondContact O-CB 3.48Å; S287-L291 PolarHBondContact O-N 3.26Å; E288-L291 WeakPolarHBondContact O-CB 3.48Å; E288-L291 PolarHBondContact O-N 2.83Å; E288-L291 VanDerWaalsContact O-N 3.16Å; L291-K294 PolarHBondContact O-N 3.43Å; L291-K295 WeakPolarHBondContact O-CB 3.22Å; L291-K295 PolarHBondContact O-N 3.36Å; L291-A323 WeakPolarHBondContact CD2-O 3.46Å; L291-A323 WeakPolarHBondContact CG-O 3.43Å
292V98.6Very high98Very high0 Ų033.3 Ų33.30%019%0.19CC..Hα-helixtrans-60.7-50.5176176.70000110.7V280 E288 A289 K294 K295 V296 V320 A323 S325 L370V280-V292 HydrophobicContact CG1-CB 4.21Å; V280-V292 HydrophobicContact CG1-CG1 4.23Å; V280-V292 HydrophobicContact CG2-CB 3.89Å; V280-V292 HydrophobicContact CG2-CG1 3.63Å; E288-V292 WeakPolarHBondContact O-CG2 3.41Å; E288-V292 PolarHBondContact O-N 2.99Å; A289-V292 PolarHBondContact O-N 3.31Å; V292-K294 VanDerWaalsContact C-N 3.31Å; V292-K294 PolarHBondContact O-N 2.97Å; V292-K295 PolarHBondContact O-N 3.14Å; V292-K295 VanDerWaalsContact O-N 3.08Å; V292-V296 WeakPolarHBondContact O-CG2 3.17Å; V292-V296 PolarHBondContact O-N 2.62Å; V292-V320 HydrophobicContact CG1-CB 4.26Å; V292-V320 HydrophobicContact CG1-CG1 4.03Å; V292-V320 HydrophobicContact CG1-CG2 3.92Å; V292-A323 HydrophobicContact CB-CB 4.21Å; V292-A323 HydrophobicContact CG2-CB 3.72Å; V292-S325 WeakPolarHBondContact CG2-OG 3.45Å; V292-L370 HydrophobicContact CG2-CD1 4.32Å
293A98.8Very high98.1Very high0 Ų033.1 Ų33.10%019%0.188CC..Hα-helixtrans-56.4-48.8-179.400000110.7A278 V280 A289 R290 K295 V296 V297 A379A278-A293 HydrophobicContact CB-CB 4.18Å; V280-A293 HydrophobicContact CB-CB 4.48Å; V280-A293 HydrophobicContact CG2-CB 3.76Å; A289-A293 WeakPolarHBondContact O-CB 3.43Å; A289-A293 PolarHBondContact O-N 3.27Å; R290-A293 PolarHBondContact O-N 2.67Å; A293-K295 VanDerWaalsContact C-N 3.28Å; A293-K295 PolarHBondContact O-N 3.14Å; A293-V296 PolarHBondContact O-N 3.4Å; A293-V297 WeakPolarHBondContact O-CG2 3.46Å; A293-V297 PolarHBondContact O-N 2.93Å; A293-V297 VanDerWaalsContact O-N 3.14Å; A293-A379 VanDerWaalsContact C-CB 3.44Å; A293-A379 HydrophobicContact CB-CB 3.67Å
294K98Very high98.1Very high25 Ų2535.3 Ų35.311%0.10920%0.201CC..Hα-helixtrans-64.7-33.3180-163.4176.8-173.8-178.20112P180 N213 I215 T216 R290 L291 V292 V297 G298 A379P180-K294 PolarHBondContact O-NZ 2.74Å; N213-K294 WeakPolarHBondContact O-CD 3.47Å; N213-K294 WeakPolarHBondContact O-CE 3.36Å; N213-K294 PolarHBondContact O-NZ 3.32Å; I215-K294 VanDerWaalsContact O-CE 3.26Å; I215-K294 WeakPolarHBondContact O-CE 3.29Å; T216-K294 HydrophobicContact CG2-CG 4.39Å; R290-K294 VanDerWaalsContact O-CB 3.3Å; R290-K294 WeakPolarHBondContact O-CB 3.47Å; R290-K294 PolarHBondContact O-N 2.88Å; L291-K294 PolarHBondContact O-N 3.43Å; V292-K294 VanDerWaalsContact C-N 3.31Å; V292-K294 PolarHBondContact O-N 2.97Å; K294-V297 WeakPolarHBondContact O-CG2 3.23Å; K294-G298 PolarHBondContact O-N 3.18Å; K294-A379 VanDerWaalsContact CA-CB 3.45Å; K294-A379 HydrophobicContact CB-CB 3.93Å; K294-A379 HydrophobicContact CG-CB 4.48Å; K294-A379 VanDerWaalsContact N-CB 3.3Å
295K98.1Very high98.1Very high81 Ų8131 Ų3135%0.35218%0.179SC..Hα-helixtrans-69.4-38.7175.7-159.871.981.4174.50112.8L291 V292 A293 G298 S299 Y322 A323L291-K295 WeakPolarHBondContact O-CB 3.22Å; L291-K295 PolarHBondContact O-N 3.36Å; V292-K295 PolarHBondContact O-N 3.14Å; V292-K295 VanDerWaalsContact O-N 3.08Å; A293-K295 VanDerWaalsContact C-N 3.28Å; A293-K295 PolarHBondContact O-N 3.14Å; K295-G298 PolarHBondContact O-N 3.46Å; K295-S299 PolarHBondContact O-N 3.17Å; K295-S299 VanDerWaalsContact O-N 3.1Å; K295-Y322 HydrophobicContact CD-CD2 4.16Å; K295-Y322 HydrophobicContact CD-CE2 3.62Å; K295-Y322 HydrophobicContact CG-CD2 3.89Å; K295-Y322 HydrophobicContact CG-CE2 3.36Å; K295-A323 HydrophobicContact CB-CB 4.05Å; K295-A323 HydrophobicContact CG-CB 4.37Å
296V98.8Very high98.1Very high1 Ų128.6 Ų28.61%0.00617%0.166CC..Hα-helixtrans-61.3-53.6175.6169.50000110.5A278 V292 A293 G298 S299 V302 I316 A319 V320 I366A278-V296 HydrophobicContact CB-CB 4.24Å; A278-V296 HydrophobicContact CB-CG1 4.12Å; V292-V296 WeakPolarHBondContact O-CG2 3.17Å; V292-V296 PolarHBondContact O-N 2.62Å; A293-V296 PolarHBondContact O-N 3.4Å; V296-G298 PolarHBondContact O-N 3.29Å; V296-S299 PolarHBondContact O-N 3.36Å; V296-V302 HydrophobicContact CG1-CG1 4.38Å; V296-I316 HydrophobicContact CG1-CG2 3.94Å; V296-I316 HydrophobicContact CG2-CG2 4.28Å; V296-A319 HydrophobicContact CG2-CB 4.19Å; V296-V320 HydrophobicContact CG2-CG2 3.87Å; V296-I366 HydrophobicContact CG1-CD1 4.04Å; V296-I366 HydrophobicContact CG1-CG2 4.29Å
297V98.7Very high98.2Very high0 Ų030.9 Ų30.90%017%0.172CC..Hα-helixtrans-69.8-21.4-178.9-61.80000113.5T216 I276 A278 A293 K294 K303 A379T216-V297 HydrophobicContact CG2-CB 4.38Å; T216-V297 HydrophobicContact CG2-CG2 3.58Å; I276-V297 HydrophobicContact CB-CG1 4.27Å; I276-V297 HydrophobicContact CG2-CG1 3.92Å; A278-V297 HydrophobicContact CB-CG1 3.6Å; A293-V297 WeakPolarHBondContact O-CG2 3.46Å; A293-V297 PolarHBondContact O-N 2.93Å; A293-V297 VanDerWaalsContact O-N 3.14Å; K294-V297 WeakPolarHBondContact O-CG2 3.23Å; V297-K303 WeakPolarHBondContact O-CD 3.45Å; V297-K303 WeakPolarHBondContact O-CG 3.34Å; V297-A379 HydrophobicContact CG2-CB 3.79Å
298G98Very high98.3Very high25 Ų2530.1 Ų30.126%0.25818%0.175SC..Hα-helixtrans-88.8-8.6176.900000115K294 K295 V296 S300K294-G298 PolarHBondContact O-N 3.18Å; K295-G298 PolarHBondContact O-N 3.46Å; V296-G298 PolarHBondContact O-N 3.29Å; G298-S300 PolarHBondContact O-N 3.1Å
299S98.6Very high98.3Very high10 Ų1032.2 Ų32.27%0.0719%0.185CC..  trans-72.3117.8-178.2174.40000111.3K295 V296 L301 V302 K303 Y322K295-S299 PolarHBondContact O-N 3.17Å; K295-S299 VanDerWaalsContact O-N 3.1Å; V296-S299 PolarHBondContact O-N 3.36Å; S299-L301 PolarHBondContact O-N 2.62Å; S299-L301 VanDerWaalsContact O-N 3.09Å; S299-V302 PolarHBondContact O-N 3.31Å; S299-V302 PolarHBondContact OG-N 3.41Å; S299-K303 WeakPolarHBondContact O-CB 3.49Å; S299-K303 VanDerWaalsContact O-CG 3.24Å; S299-K303 WeakPolarHBondContact O-CG 3.41Å; S299-K303 PolarHBondContact O-N 3.09Å; S299-Y322 WeakPolarHBondContact CB-OH 3.44Å; S299-Y322 PolarHBondContact OG-OH 2.79Å
300S98.3Very high98.2Very high77 Ų7735.1 Ų35.154%0.53820%0.2SC..Hα-helixtrans-54.1-34177.5-460000112.7G298 T304G298-S300 PolarHBondContact O-N 3.1Å; S300-T304 WeakPolarHBondContact O-CB 3.24Å; S300-T304 VanDerWaalsContact O-CG2 3.3Å; S300-T304 WeakPolarHBondContact O-CG2 3.39Å; S300-T304 PolarHBondContact O-N 3.01Å; S300-T304 PolarHBondContact O-OG1 3.34Å
301L98.4Very high98Very high100 Ų10034.7 Ų34.752%0.52420%0.204SC..Hα-helixtrans-71.7-41.9177-69.9-178.8000112S299 T304 A305 R315S299-L301 PolarHBondContact O-N 2.62Å; S299-L301 VanDerWaalsContact O-N 3.09Å; L301-T304 WeakPolarHBondContact CA-OG1 3.39Å; L301-T304 PolarHBondContact O-OG1 2.8Å; L301-A305 WeakPolarHBondContact O-CB 3.23Å; L301-A305 PolarHBondContact O-N 3.32Å; L301-R315 HydrophobicContact CB-CB 4.2Å; L301-R315 HydrophobicContact CB-CG 3.98Å; L301-R315 VanDerWaalsContact O-CD 3.29Å; L301-R315 WeakPolarHBondContact O-CD 3.2Å; L301-R315 PolarHBondContact O-NH1 3.35Å
302V98.7Very high97.9Very high0 Ų033.9 Ų33.90%020%0.199CC..Hα-helixtrans-63.5-49174175.90000109.7V296 S299 T304 A305 M306 R315 I316 A319 I366V296-V302 HydrophobicContact CG1-CG1 4.38Å; S299-V302 PolarHBondContact O-N 3.31Å; S299-V302 PolarHBondContact OG-N 3.41Å; V302-T304 VanDerWaalsContact C-N 3.34Å; V302-T304 PolarHBondContact O-N 2.79Å; V302-A305 WeakPolarHBondContact O-CB 3.26Å; V302-A305 PolarHBondContact O-N 2.93Å; V302-A305 VanDerWaalsContact O-N 3.08Å; V302-M306 HydrophobicContact CG1-CG 4.26Å; V302-M306 WeakPolarHBondContact O-CG 3.36Å; V302-M306 PolarHBondContact O-N 3.48Å; V302-R315 HydrophobicContact CG2-CB 4.1Å; V302-R315 WeakPolarHBondContact CG2-O 3.27Å; V302-I316 HydrophobicContact CG1-CG1 4.12Å; V302-I316 HydrophobicContact CG2-CB 4.5Å; V302-I316 HydrophobicContact CG2-CG1 3.98Å; V302-A319 HydrophobicContact CG2-CB 4.43Å; V302-I366 HydrophobicContact CG1-CD1 4.17Å
303K98.6Very high97.8Very high5 Ų537.1 Ų37.12%0.02221%0.212CC..Hα-helixtrans-57.3-43.3-179.7-64.7173.855.779.60112.8V217 V297 S299 F307 C382 D383 L384V217-K303 WeakPolarHBondContact O-CE 3.42Å; V217-K303 PolarHBondContact O-NZ 3.37Å; V297-K303 WeakPolarHBondContact O-CD 3.45Å; V297-K303 WeakPolarHBondContact O-CG 3.34Å; S299-K303 WeakPolarHBondContact O-CB 3.49Å; S299-K303 VanDerWaalsContact O-CG 3.24Å; S299-K303 WeakPolarHBondContact O-CG 3.41Å; S299-K303 PolarHBondContact O-N 3.09Å; K303-F307 PolarHBondContact O-N 3.26Å; K303-F307 VanDerWaalsContact O-N 3.08Å; K303-C382 VanDerWaalsContact CG-O 3.29Å; K303-C382 WeakPolarHBondContact CG-O 3.31Å; K303-C382 PolarHBondContact NZ-O 3.2Å; K303-C382 PolarHBondContact NZ-SG 3.32Å; K303-D383 PolarHBondContact NZ-O 3.11Å; K303-D383 VanDerWaalsContact NZ-O 3.17Å; K303-D383 WeakPolarHBondContact O-CA 3.45Å; K303-D383 WeakPolarHBondContact O-CB 3.24Å; K303-L384 HydrophobicContact CB-CB 3.72Å; K303-L384 PolarHBondContact O-N 3.09Å
304T98.5Very high97.7Very high45 Ų4538.6 Ų38.628%0.27623%0.227SC..Hα-helixtrans-70.4-35.1175.848.70000112.9S300 L301 V302 F307 G308 R315 L384S300-T304 WeakPolarHBondContact O-CB 3.24Å; S300-T304 VanDerWaalsContact O-CG2 3.3Å; S300-T304 WeakPolarHBondContact O-CG2 3.39Å; S300-T304 PolarHBondContact O-N 3.01Å; S300-T304 PolarHBondContact O-OG1 3.34Å; L301-T304 WeakPolarHBondContact CA-OG1 3.39Å; L301-T304 PolarHBondContact O-OG1 2.8Å; V302-T304 VanDerWaalsContact C-N 3.34Å; V302-T304 PolarHBondContact O-N 2.79Å; T304-F307 PolarHBondContact O-N 2.96Å; T304-G308 PolarHBondContact O-N 3.23Å; T304-R315 PolarHBondContact OG1-NH1 2.77Å; T304-R315 VanDerWaalsContact OG1-NH1 3.09Å; T304-L384 HydrophobicContact CG2-CB 3.94Å; T304-L384 HydrophobicContact CG2-CD2 3.48Å; T304-L384 VanDerWaalsContact CG2-CD2 3.48Å; T304-L384 HydrophobicContact CG2-CG 4.31Å
305A98.4Very high97.7Very high2 Ų240.5 Ų40.52%0.01723%0.234CC..Hα-helixtrans-64.8-42174.600000111.1L301 V302 G308 E309 D310 N312L301-A305 WeakPolarHBondContact O-CB 3.23Å; L301-A305 PolarHBondContact O-N 3.32Å; V302-A305 WeakPolarHBondContact O-CB 3.26Å; V302-A305 PolarHBondContact O-N 2.93Å; V302-A305 VanDerWaalsContact O-N 3.08Å; A305-G308 CarbonylContact O-C 3.52Å; A305-G308 PolarHBondContact O-N 3.48Å; A305-E309 PolarHBondContact O-N 3.28Å; A305-D310 HydrophobicContact CB-CB 4.28Å; A305-D310 PolarHBondContact O-N 3.42Å; A305-N312 HydrophobicContact CB-CB 4.32Å
306M98.3Very high97.8Very high0 Ų036.7 Ų36.70%022%0.217CC..Hα-helixtrans-65.2-40.8176.6-62.7-54.393.300111.9K274 I276 V302 E309 L359 I364 I366 D383K274-M306 WeakPolarHBondContact CD-O 3.43Å; K274-M306 VanDerWaalsContact CE-O 3.22Å; K274-M306 WeakPolarHBondContact CE-O 3.22Å; I276-M306 HydrophobicContact CD1-CB 3.8Å; I276-M306 HydrophobicContact CD1-CG 3.6Å; I276-M306 HydrophobicContact CG1-CB 4.22Å; I276-M306 HydrophobicContact CG1-CG 4.04Å; V302-M306 HydrophobicContact CG1-CG 4.26Å; V302-M306 WeakPolarHBondContact O-CG 3.36Å; V302-M306 PolarHBondContact O-N 3.48Å; M306-E309 PolarHBondContact O-N 2.92Å; M306-L359 HydrophobicContact CE-CD2 4.01Å; M306-L359 HydrophobicContact SD-CD2 3.85Å; M306-I364 HydrophobicContact CB-CD1 3.97Å; M306-I364 HydrophobicContact CG-CD1 4.28Å; M306-I364 HydrophobicContact SD-CD1 3.84Å; M306-I364 HydrophobicContact SD-CG2 3.86Å; M306-I366 HydrophobicContact SD-CD1 4.35Å; M306-D383 HydrophobicContact CB-CB 4.48Å
307F98.5Very high97.7Very high62 Ų6238.4 Ų38.427%0.27223%0.226SC..Hα-helixtrans-60.6-47.6172.3174.9-124.4000111.8K303 T304 E309 D383 T385 Y386K303-F307 PolarHBondContact O-N 3.26Å; K303-F307 VanDerWaalsContact O-N 3.08Å; T304-F307 PolarHBondContact O-N 2.96Å; F307-E309 PolarHBondContact O-N 3.15Å; F307-D383 HydrophobicContact CB-CB 3.87Å; F307-D383 WeakPolarHBondContact CD2-OD2 3.44Å; F307-T385 HydrophobicContact CB-CG2 4.47Å; F307-T385 HydrophobicContact CD1-CG2 4.47Å; F307-T385 HydrophobicContact CD2-CG2 3.42Å; F307-T385 VanDerWaalsContact CD2-CG2 3.42Å; F307-T385 HydrophobicContact CE2-CG2 3.64Å; F307-T385 HydrophobicContact CG-CG2 3.88Å; F307-T385 HydrophobicContact CZ-CG2 4.27Å; F307-Y386 AromaticContact CE1-CD2 3.85Å; F307-Y386 HydrophobicContact CE1-CD2 3.85Å; F307-Y386 AromaticContact CE1-CE2 3.86Å; F307-Y386 HydrophobicContact CE1-CE2 3.86Å; F307-Y386 HydrophobicContact CZ-CD2 4.15Å; F307-Y386 HydrophobicContact CZ-CE2 4.44Å
308G97.8Very high97.7Very high53 Ų5342 Ų4255%0.54625%0.25SS..THydrogen-bonded Turntrans-76.23.3-179.500000114.6T304 A305 D310T304-G308 PolarHBondContact O-N 3.23Å; A305-G308 CarbonylContact O-C 3.52Å; A305-G308 PolarHBondContact O-N 3.48Å; G308-D310 PolarHBondContact O-N 3.38Å; G308-D310 VanDerWaalsContact O-N 3.15Å
309E98Very high97.7Very high71 Ų7140.8 Ų40.833%0.33224%0.238SC..THydrogen-bonded Turntrans53.533.6-178-57173.1168.600112.4K274 A305 M306 F307 L359K274-E309 IonicContact NZ-OE1 3.04Å; K274-E309 PolarHBondContact NZ-OE1 2.66Å; A305-E309 PolarHBondContact O-N 3.28Å; M306-E309 PolarHBondContact O-N 2.92Å; F307-E309 PolarHBondContact O-N 3.15Å; E309-L359 HydrophobicContact CB-CB 3.97Å; E309-L359 HydrophobicContact CG-CB 4.34Å; E309-L359 VanDerWaalsContact O-CD1 3.31Å; E309-L359 WeakPolarHBondContact O-CD1 3.49Å
310D97.1Very high97.7Very high62 Ų6240.4 Ų40.433%0.33224%0.235SC..  trans-93.3118.9-178.7179.28.8000109.4A305 G308 N312A305-D310 HydrophobicContact CB-CB 4.28Å; A305-D310 PolarHBondContact O-N 3.42Å; G308-D310 PolarHBondContact O-N 3.38Å; G308-D310 VanDerWaalsContact O-N 3.15Å; D310-N312 PolarHBondContact O-N 2.83Å; D310-N312 PolarHBondContact OD1-N 2.82Å; D310-N312 WeakPolarHBondContact OD2-CB 3.36Å; D310-N312 PolarHBondContact OD2-ND2 3.04Å
311P94.2Very high97.6Very high37 Ų3739.6 Ų39.624%0.2424%0.239CC..  trans-74.331.9-178.634.2-38.9000113.5W313 F350 M355 L359P311-W313 PolarHBondContact O-N 2.86Å; P311-F350 HydrophobicContact CB-CE2 4.23Å; P311-F350 HydrophobicContact CB-CZ 4.14Å; P311-F350 HydrophobicContact CG-CE2 4.29Å; P311-F350 HydrophobicContact CG-CZ 4.11Å; P311-M355 HydrophobicContact CB-CG 3.47Å; P311-M355 VanDerWaalsContact CB-CG 3.47Å; P311-M355 HydrophobicContact CB-SD 4.19Å; P311-M355 HydrophobicContact CG-CG 4.28Å; P311-L359 HydrophobicContact CB-CD1 3.89Å
312N94.1Very high97.5Very high55 Ų5540.2 Ų40.229%0.29424%0.235SC..  trans-71.772.6-173.2-164.1-27.2000112.2A305 D310 G314 R315A305-N312 HydrophobicContact CB-CB 4.32Å; D310-N312 PolarHBondContact O-N 2.83Å; D310-N312 PolarHBondContact OD1-N 2.82Å; D310-N312 WeakPolarHBondContact OD2-CB 3.36Å; D310-N312 PolarHBondContact OD2-ND2 3.04Å; N312-G314 PolarHBondContact O-N 2.77Å; N312-R315 HydrophobicContact CB-CG 4.39Å; N312-R315 PolarHBondContact ND2-NE 2.86Å; N312-R315 WeakPolarHBondContact O-CB 3.47Å; N312-R315 PolarHBondContact O-N 2.92Å
313W96.2Very high97.4Very high68 Ų6840.4 Ų40.426%0.25824%0.237SC..Hα-helixtrans-64.3-21-178.767.8-107.6000112.6P311 R315 I316 I317 M334 L341 L342 P347P311-W313 PolarHBondContact O-N 2.86Å; W313-R315 PolarHBondContact O-N 2.83Å; W313-I316 WeakPolarHBondContact O-CB 3.31Å; W313-I316 PolarHBondContact O-N 3.22Å; W313-I317 HydrophobicContact CE3-CG2 4.02Å; W313-I317 HydrophobicContact CZ3-CG2 4.01Å; W313-I317 PolarHBondContact O-N 3.15Å; W313-M334 HydrophobicContact CB-CE 3.54Å; W313-M334 HydrophobicContact CD2-CE 4.07Å; W313-M334 HydrophobicContact CE3-CE 3.71Å; W313-M334 HydrophobicContact CG-CE 4.05Å; W313-L341 HydrophobicContact CB-CB 4.3Å; W313-L341 HydrophobicContact CB-CD1 3.66Å; W313-L341 HydrophobicContact CB-CG 4.49Å; W313-L341 HydrophobicContact CG-CB 4.13Å; W313-L341 HydrophobicContact CG-CD1 4.2Å; W313-L342 HydrophobicContact CE3-CD1 4.27Å; W313-L342 HydrophobicContact CE3-CD2 4.31Å; W313-L342 HydrophobicContact CE3-CG 4.22Å; W313-L342 HydrophobicContact CH2-CD2 3.94Å; W313-L342 HydrophobicContact CZ3-CD1 4.13Å; W313-L342 HydrophobicContact CZ3-CD2 3.73Å; W313-L342 HydrophobicContact CZ3-CG 4.1Å; W313-P347 HydrophobicContact CH2-CB 4.36Å; W313-P347 HydrophobicContact CH2-CG 4.05Å; W313-P347 HydrophobicContact CZ2-CB 4.11Å; W313-P347 HydrophobicContact CZ2-CG 4.26Å
314G97.4Very high97.2Very high32 Ų3243.5 Ų43.533%0.3327%0.27SS..Hα-helixtrans-54.1-35.9169.200000112.8N312 I317 C318N312-G314 PolarHBondContact O-N 2.77Å; G314-I317 WeakPolarHBondContact O-CG2 3.37Å; G314-C318 WeakPolarHBondContact O-CB 3.41Å; G314-C318 PolarHBondContact O-N 2.82Å; G314-C318 VanDerWaalsContact O-N 3.09Å
315R98.1Very high97Very high65 Ų6542.3 Ų42.325%0.24526%0.264CS..Hα-helixtrans-71.3-32.9175.9-64.4169175.8-155.25.4112.4L301 V302 T304 N312 W313 A319L301-R315 HydrophobicContact CB-CB 4.2Å; L301-R315 HydrophobicContact CB-CG 3.98Å; L301-R315 VanDerWaalsContact O-CD 3.29Å; L301-R315 WeakPolarHBondContact O-CD 3.2Å; L301-R315 PolarHBondContact O-NH1 3.35Å; V302-R315 HydrophobicContact CG2-CB 4.1Å; V302-R315 WeakPolarHBondContact CG2-O 3.27Å; T304-R315 PolarHBondContact OG1-NH1 2.77Å; T304-R315 VanDerWaalsContact OG1-NH1 3.09Å; N312-R315 HydrophobicContact CB-CG 4.39Å; N312-R315 PolarHBondContact ND2-NE 2.86Å; N312-R315 WeakPolarHBondContact O-CB 3.47Å; N312-R315 PolarHBondContact O-N 2.92Å; W313-R315 PolarHBondContact O-N 2.83Å; R315-A319 PolarHBondContact O-N 2.86Å
316I98.4Very high97Very high1 Ų147.6 Ų47.61%0.00529%0.288CS..Hα-helixtrans-71.3-52.5178.3-58.6171.4000109.7V296 V302 W313 C318 A319 V320 M334 I336 I366V296-I316 HydrophobicContact CG1-CG2 3.94Å; V296-I316 HydrophobicContact CG2-CG2 4.28Å; V302-I316 HydrophobicContact CG1-CG1 4.12Å; V302-I316 HydrophobicContact CG2-CB 4.5Å; V302-I316 HydrophobicContact CG2-CG1 3.98Å; W313-I316 WeakPolarHBondContact O-CB 3.31Å; W313-I316 PolarHBondContact O-N 3.22Å; I316-C318 PolarHBondContact O-N 2.6Å; I316-A319 WeakPolarHBondContact O-CA 3.36Å; I316-A319 WeakPolarHBondContact O-CB 3.44Å; I316-A319 PolarHBondContact O-N 2.87Å; I316-V320 PolarHBondContact O-N 2.95Å; I316-M334 HydrophobicContact CB-SD 3.75Å; I316-M334 HydrophobicContact CG2-SD 3.42Å; I316-M334 WeakPolarHBondContact CG2-SD 3.45Å; I316-I336 HydrophobicContact CD1-CD1 3.67Å; I316-I336 HydrophobicContact CD1-CG1 3.93Å; I316-I366 HydrophobicContact CD1-CD1 3.82Å; I316-I366 HydrophobicContact CD1-CG1 4.22Å; I316-I366 HydrophobicContact CD1-CG2 4.17Å; I316-I366 HydrophobicContact CG1-CD1 4.33Å; I316-I366 HydrophobicContact CG2-CG2 3.82Å
317I97.7Very high96.8Very high37 Ų3749.4 Ų49.419%0.1930%0.299CS..Hα-helixtrans-63.6-33179.8-167.762.2000112W313 G314 V320 G321 I332 M334 L342W313-I317 HydrophobicContact CE3-CG2 4.02Å; W313-I317 HydrophobicContact CZ3-CG2 4.01Å; W313-I317 PolarHBondContact O-N 3.15Å; G314-I317 WeakPolarHBondContact O-CG2 3.37Å; I317-V320 HydrophobicContact CD1-CB 4.38Å; I317-V320 PolarHBondContact O-N 2.87Å; I317-G321 PolarHBondContact O-N 2.9Å; I317-I332 HydrophobicContact CD1-CB 4.11Å; I317-I332 HydrophobicContact CD1-CD1 3.58Å; I317-I332 HydrophobicContact CD1-CG1 4.43Å; I317-I332 HydrophobicContact CD1-CG2 3.65Å; I317-M334 HydrophobicContact CB-CE 4.45Å; I317-L342 HydrophobicContact CB-CD1 4.09Å; I317-L342 HydrophobicContact CD1-CD1 3.67Å; I317-L342 HydrophobicContact CG1-CD1 3.73Å
318C97.9Very high96.8Very high75 Ų7548.5 Ų48.551%0.50730%0.297SS..Hα-helixtrans-59.8-46.5170.5-175.70000111.2G314 I316 V320 G321 Y322G314-C318 WeakPolarHBondContact O-CB 3.41Å; G314-C318 PolarHBondContact O-N 2.82Å; G314-C318 VanDerWaalsContact O-N 3.09Å; I316-C318 PolarHBondContact O-N 2.6Å; C318-V320 VanDerWaalsContact C-N 3.33Å; C318-V320 PolarHBondContact O-N 2.85Å; C318-G321 PolarHBondContact O-N 2.86Å; C318-G321 VanDerWaalsContact O-N 3.11Å; C318-Y322 WeakPolarHBondContact O-CD1 3.24Å; C318-Y322 WeakPolarHBondContact O-CE1 3.16Å; C318-Y322 PolarHBondContact O-N 2.88Å; C318-Y322 VanDerWaalsContact O-N 3.13Å
319A98.3Very high96.7Very high0 Ų050.5 Ų50.50%030%0.3CS..Hα-helixtrans-61.9-37.1176.300000113.9V296 V302 R315 I316 Y322 A323V296-A319 HydrophobicContact CG2-CB 4.19Å; V302-A319 HydrophobicContact CG2-CB 4.43Å; R315-A319 PolarHBondContact O-N 2.86Å; I316-A319 WeakPolarHBondContact O-CA 3.36Å; I316-A319 WeakPolarHBondContact O-CB 3.44Å; I316-A319 PolarHBondContact O-N 2.87Å; A319-Y322 HydrophobicContact CB-CE1 4.03Å; A319-A323 PolarHBondContact O-N 3.18Å
320V98.3Very high96.6Very high1 Ų154.4 Ų54.41%0.00632%0.319CS..Hα-helixtrans-61-48.8170.7176.20000110.2V292 V296 I316 I317 C318 Y322 A323 T327 I332 V368 L370V292-V320 HydrophobicContact CG1-CB 4.26Å; V292-V320 HydrophobicContact CG1-CG1 4.03Å; V292-V320 HydrophobicContact CG1-CG2 3.92Å; V296-V320 HydrophobicContact CG2-CG2 3.87Å; I316-V320 PolarHBondContact O-N 2.95Å; I317-V320 HydrophobicContact CD1-CB 4.38Å; I317-V320 PolarHBondContact O-N 2.87Å; C318-V320 VanDerWaalsContact C-N 3.33Å; C318-V320 PolarHBondContact O-N 2.85Å; V320-Y322 VanDerWaalsContact C-N 3.34Å; V320-Y322 PolarHBondContact O-N 2.85Å; V320-A323 VanDerWaalsContact O-CB 3.29Å; V320-A323 WeakPolarHBondContact O-CB 3.4Å; V320-A323 PolarHBondContact O-N 3.34Å; V320-A323 VanDerWaalsContact O-N 3.16Å; V320-T327 HydrophobicContact CG1-CG2 4.25Å; V320-I332 HydrophobicContact CG1-CD1 4.21Å; V320-V368 HydrophobicContact CG1-CG1 4.37Å; V320-V368 HydrophobicContact CG2-CG1 4.05Å; V320-V368 HydrophobicContact CG2-CG2 3.99Å; V320-L370 HydrophobicContact CG1-CD2 3.82Å
321G97.2Very high96.7Very high61 Ų6155.7 Ų55.763%0.62932%0.321SS*.Hα-helixtrans-62.2-32.4-176.800000115.1I317 C318I317-G321 PolarHBondContact O-N 2.9Å; C318-G321 PolarHBondContact O-N 2.86Å; C318-G321 VanDerWaalsContact O-N 3.11Å
322Y96.8Very high96.9Very high112 Ų11254.2 Ų54.244%0.43931%0.311SS..THydrogen-bonded Turntrans-98.15.6176.871.2-110.1000114.3K295 S299 C318 A319 V320 G324K295-Y322 HydrophobicContact CD-CD2 4.16Å; K295-Y322 HydrophobicContact CD-CE2 3.62Å; K295-Y322 HydrophobicContact CG-CD2 3.89Å; K295-Y322 HydrophobicContact CG-CE2 3.36Å; S299-Y322 WeakPolarHBondContact CB-OH 3.44Å; S299-Y322 PolarHBondContact OG-OH 2.79Å; C318-Y322 WeakPolarHBondContact O-CD1 3.24Å; C318-Y322 WeakPolarHBondContact O-CE1 3.16Å; C318-Y322 PolarHBondContact O-N 2.88Å; C318-Y322 VanDerWaalsContact O-N 3.13Å; A319-Y322 HydrophobicContact CB-CE1 4.03Å; V320-Y322 VanDerWaalsContact C-N 3.34Å; V320-Y322 PolarHBondContact O-N 2.85Å; Y322-G324 PolarHBondContact O-N 2.84Å; Y322-G324 VanDerWaalsContact O-N 3.17Å
323A96.2Very high97.1Very high5 Ų552.7 Ų52.74%0.04130%0.303CS..SBendtrans-60.3-28.7-175.700000113.8L291 V292 K295 A319 V320L291-A323 WeakPolarHBondContact CD2-O 3.46Å; L291-A323 WeakPolarHBondContact CG-O 3.43Å; V292-A323 HydrophobicContact CB-CB 4.21Å; V292-A323 HydrophobicContact CG2-CB 3.72Å; K295-A323 HydrophobicContact CB-CB 4.05Å; K295-A323 HydrophobicContact CG-CB 4.37Å; A319-A323 PolarHBondContact O-N 3.18Å; V320-A323 VanDerWaalsContact O-CB 3.29Å; V320-A323 WeakPolarHBondContact O-CB 3.4Å; V320-A323 PolarHBondContact O-N 3.34Å; V320-A323 VanDerWaalsContact O-N 3.16Å
324G93.1Very high97.2Very high69 Ų6949.4 Ų49.471%0.71129%0.291SS*.SBendtrans91.39.7-177.200000114.3Y322Y322-G324 PolarHBondContact O-N 2.84Å; Y322-G324 VanDerWaalsContact O-N 3.17Å
325S95Very high97.3Very high20 Ų2050.6 Ų50.614%0.1429%0.285CS..SBendtrans-81.7164.8169.450.80000112.1V292 T327V292-S325 WeakPolarHBondContact CG2-OG 3.45Å; S325-T327 PolarHBondContact O-N 3.23Å; S325-T327 PolarHBondContact OG-OG1 3.23Å
326H97.7Very high97.3Very high113 Ų11347.5 Ų47.552%0.52327%0.274SS..  trans-63.1129.4158.8-62.989.5000108.5L284 E288 I372L284-H326 HydrophobicContact CD1-CB 3.71Å; E288-H326 VanDerWaalsContact CD-ND1 3.29Å; E288-H326 IonicContact OE1-CE1 2.73Å; E288-H326 PolarHBondContact OE1-CE1 3.11Å; E288-H326 IonicContact OE1-ND1 3.66Å; E288-H326 PolarHBondContact OE1-ND1 2.97Å; E288-H326 WeakPolarHBondContact OE2-CB 3.26Å; E288-H326 IonicContact OE2-CG 2.83Å; E288-H326 PolarHBondContact OE2-N 2.99Å; E288-H326 IonicContact OE2-ND1 3.48Å; E288-H326 PolarHBondContact OE2-ND1 2.92Å; H326-I372 HydrophobicContact CB-CD1 4.02Å; H326-I372 WeakPolarHBondContact O-CD1 3.3Å
327T95.4Very high97.3Very high39 Ų3948.3 Ų48.324%0.23928%0.282CS..  trans-153.2133.6-177-63.80000107.8V320 S325 P329 I332 L370V320-T327 HydrophobicContact CG1-CG2 4.25Å; S325-T327 PolarHBondContact O-N 3.23Å; S325-T327 PolarHBondContact OG-OG1 3.23Å; T327-P329 WeakPolarHBondContact O-CD 3.39Å; T327-I332 HydrophobicContact CG2-CD1 3.65Å; T327-I332 HydrophobicContact CG2-CG1 4.31Å; T327-L370 HydrophobicContact CG2-CD2 4.31Å
328D97.2Very high97.2Very high42 Ų4254.2 Ų54.223%0.22531%0.314CS..  trans-102.8104.9172.1-173.7-19.5000107.9E330 K331 I372D328-E330 PolarHBondContact O-N 3.25Å; D328-E330 PolarHBondContact OD1-N 2.89Å; D328-E330 VanDerWaalsContact OD1-N 3.14Å; D328-K331 HydrophobicContact CB-CB 4.34Å; D328-K331 HydrophobicContact CB-CD 4.12Å; D328-K331 HydrophobicContact CB-CG 4.26Å; D328-K331 PolarHBondContact O-N 3.11Å; D328-K331 VanDerWaalsContact O-N 3.1Å; D328-K331 WeakPolarHBondContact OD2-CD 3.49Å; D328-K331 WeakPolarHBondContact OD2-CE 3.44Å; D328-K331 IonicContact OD2-NZ 2.64Å; D328-K331 PolarHBondContact OD2-NZ 3.03Å; D328-I372 HydrophobicContact CB-CG2 3.85Å
329P95.5Very high97.2Very high96 Ų9652 Ų5262%0.62330%0.296SS*.THydrogen-bonded Turntrans-62-7.4-175.6-23.334.8000114.6T327 S345T327-P329 WeakPolarHBondContact O-CD 3.39Å; P329-S345 VanDerWaalsContact C-OG 3.29Å; P329-S345 WeakPolarHBondContact O-CB 3.21Å; P329-S345 PolarHBondContact O-OG 3.21Å
330E97.3Very high97.2Very high153 Ų15354.3 Ų54.372%0.71531%0.307SS*.THydrogen-bonded Turntrans-97-3.9178.6-59.3-171.2150.600113.7D328 N344 S345D328-E330 PolarHBondContact O-N 3.25Å; D328-E330 PolarHBondContact OD1-N 2.89Å; D328-E330 VanDerWaalsContact OD1-N 3.14Å; E330-N344 CarbonylContact O-C 3.32Å; E330-S345 VanDerWaalsContact C-OG 3.28Å
331K98.2Very high97.2Very high89 Ų8954.3 Ų54.339%0.38731%0.307SS..SBendtrans-118.75-172.7-64.2-176.5-179139.80115.1D328 D333 S345 N371D328-K331 HydrophobicContact CB-CB 4.34Å; D328-K331 HydrophobicContact CB-CD 4.12Å; D328-K331 HydrophobicContact CB-CG 4.26Å; D328-K331 PolarHBondContact O-N 3.11Å; D328-K331 VanDerWaalsContact O-N 3.1Å; D328-K331 WeakPolarHBondContact OD2-CD 3.49Å; D328-K331 WeakPolarHBondContact OD2-CE 3.44Å; D328-K331 IonicContact OD2-NZ 2.64Å; D328-K331 PolarHBondContact OD2-NZ 3.03Å; K331-D333 PolarHBondContact O-N 3.16Å; K331-S345 PolarHBondContact N-OG 2.91Å; K331-N371 HydrophobicContact CB-CB 3.96Å; K331-N371 WeakPolarHBondContact O-CB 3.3Å; K331-N371 PolarHBondContact O-ND2 3.31Å
332I98.6Very high97.3Very high6 Ų651.6 Ų51.63%0.03128%0.278CS..  trans-80.6128-167.7-59166.2000110.1I317 V320 T327 S345 V368 D369I317-I332 HydrophobicContact CD1-CB 4.11Å; I317-I332 HydrophobicContact CD1-CD1 3.58Å; I317-I332 HydrophobicContact CD1-CG1 4.43Å; I317-I332 HydrophobicContact CD1-CG2 3.65Å; V320-I332 HydrophobicContact CG1-CD1 4.21Å; T327-I332 HydrophobicContact CG2-CD1 3.65Å; T327-I332 HydrophobicContact CG2-CG1 4.31Å; I332-S345 PolarHBondContact N-OG 2.96Å; I332-S345 WeakPolarHBondContact O-CA 3.42Å; I332-S345 PolarHBondContact O-N 2.88Å; I332-V368 HydrophobicContact CG2-CG1 3.87Å; I332-D369 WeakPolarHBondContact CA-O 3.46Å
333D98.8Very high97.4Very high22 Ų2251.1 Ų51.112%0.11828%0.278CS..EExtended strand (participates in β ladder)trans-103.4146.5164-62.7-8.7000109.6K331 W335 L342 K343 N344 V368 D369K331-D333 PolarHBondContact O-N 3.16Å; D333-W335 HydrophobicContact CB-CE3 4.42Å; D333-W335 HydrophobicContact CB-CH2 3.2Å; D333-W335 HydrophobicContact CB-CZ2 4.06Å; D333-W335 HydrophobicContact CB-CZ3 3.42Å; D333-W335 VanDerWaalsContact CB-CZ3 3.42Å; D333-L342 VanDerWaalsContact CA-O 3.31Å; D333-L342 WeakPolarHBondContact CA-O 3.35Å; D333-K343 VanDerWaalsContact OD1-CA 3.22Å; D333-K343 WeakPolarHBondContact OD1-CA 3.47Å; D333-N344 PolarHBondContact OD1-N 3.43Å; D333-V368 WeakPolarHBondContact O-CA 3.25Å; D333-D369 HydrophobicContact CB-CB 4.09Å; D333-D369 PolarHBondContact N-O 3.36Å; D333-D369 PolarHBondContact O-N 3.49Å
334M98.7Very high97.4Very high0 Ų055 Ų550%030%0.298CS..EExtended strand (participates in β ladder)trans-148.9142.9-177.2-177177.958.600112.1W313 I316 I317 L341 L342 T367 V368W313-M334 HydrophobicContact CB-CE 3.54Å; W313-M334 HydrophobicContact CD2-CE 4.07Å; W313-M334 HydrophobicContact CE3-CE 3.71Å; W313-M334 HydrophobicContact CG-CE 4.05Å; I316-M334 HydrophobicContact CB-SD 3.75Å; I316-M334 HydrophobicContact CG2-SD 3.42Å; I316-M334 WeakPolarHBondContact CG2-SD 3.45Å; I317-M334 HydrophobicContact CB-CE 4.45Å; M334-L341 HydrophobicContact CE-CB 4.1Å; M334-L341 PolarHBondContact O-N 3.16Å; M334-L342 HydrophobicContact CB-CB 4.04Å; M334-L342 HydrophobicContact CB-CD1 4.35Å; M334-L342 HydrophobicContact CB-CG 4.42Å; M334-L342 HydrophobicContact CE-CD1 3.73Å; M334-L342 HydrophobicContact CE-CG 3.89Å; M334-L342 PolarHBondContact N-O 3.14Å; M334-L342 PolarHBondContact O-N 2.89Å; M334-T367 CarbonylContact C-O 3.58Å; M334-T367 VanDerWaalsContact CA-O 3.29Å; M334-T367 WeakPolarHBondContact CA-O 3.48Å; M334-V368 HydrophobicContact CG-CG2 4.17Å
335W98.7Very high97.6Very high57 Ų5752.9 Ų52.922%0.21627%0.272CS..EExtended strand (participates in β ladder)trans-133.7148.6177.6-59.2-106.7000111.8D333 Q339 Q340 I366 T367 D369D333-W335 HydrophobicContact CB-CE3 4.42Å; D333-W335 HydrophobicContact CB-CH2 3.2Å; D333-W335 HydrophobicContact CB-CZ2 4.06Å; D333-W335 HydrophobicContact CB-CZ3 3.42Å; D333-W335 VanDerWaalsContact CB-CZ3 3.42Å; W335-Q339 WeakPolarHBondContact CA-O 3.37Å; W335-Q339 WeakPolarHBondContact CB-O 3.36Å; W335-Q340 HydrophobicContact CD2-CG 4.36Å; W335-Q340 HydrophobicContact CG-CB 4.4Å; W335-Q340 HydrophobicContact CZ2-CG 4.07Å; W335-Q340 VanDerWaalsContact CZ2-NE2 3.33Å; W335-Q340 VanDerWaalsContact NE1-CB 3.31Å; W335-I366 WeakPolarHBondContact O-CA 3.29Å; W335-T367 HydrophobicContact CE3-CG2 4.05Å; W335-T367 HydrophobicContact CZ3-CG2 4.45Å; W335-T367 PolarHBondContact N-O 3.43Å; W335-T367 PolarHBondContact O-N 2.91Å; W335-D369 HydrophobicContact CH2-CB 4.46Å; W335-D369 HydrophobicContact CZ3-CB 4.08Å
336I98.6Very high97.7Very high0 Ų057.6 Ų57.60%029%0.292CS..EExtended strand (participates in β ladder)trans-117122.7158.8-63.5171.6000107I316 D338 Q339 L341 M355 T358 L359 I364 I366I316-I336 HydrophobicContact CD1-CD1 3.67Å; I316-I336 HydrophobicContact CD1-CG1 3.93Å; I336-D338 PolarHBondContact O-N 3.32Å; I336-Q339 PolarHBondContact N-O 3.47Å; I336-Q339 VanDerWaalsContact N-O 3.17Å; I336-Q339 PolarHBondContact O-N 3.35Å; I336-L341 HydrophobicContact CB-CD1 3.94Å; I336-L341 HydrophobicContact CD1-CD1 3.49Å; I336-L341 VanDerWaalsContact CD1-CD1 3.49Å; I336-L341 HydrophobicContact CG1-CD1 3.5Å; I336-L341 VanDerWaalsContact CG1-CD1 3.5Å; I336-M355 HydrophobicContact CB-CE 4.06Å; I336-M355 HydrophobicContact CB-SD 4.03Å; I336-M355 HydrophobicContact CG2-SD 3.83Å; I336-T358 HydrophobicContact CG2-CG2 4.15Å; I336-L359 HydrophobicContact CG2-CD2 4.06Å; I336-I364 HydrophobicContact CG2-CG2 4.02Å; I336-I366 HydrophobicContact CG1-CG1 4.46Å
337G97.2Very high97.8Very high18 Ų1856.2 Ų56.219%0.18629%0.293CS..THydrogen-bonded Turntrans55.5-125.7-165.200000110.1N365G337-N365 PolarHBondContact N-O 2.88Å
338D96.8Very high97.9Very high161 Ų16157.7 Ų57.786%0.86130%0.298SS*.THydrogen-bonded Turntrans-97.1-0.8-179.1-56-43.7000113.2I336I336-D338 PolarHBondContact O-N 3.32Å
339Q98.3Very high97.8Very high27 Ų2765.1 Ų65.113%0.12633%0.331CS..EExtended strand (participates in β ladder)trans-93.9121.9-175.6-63.9-15482.900111.8W335 I336 F350 D351 I354 M355W335-Q339 WeakPolarHBondContact CA-O 3.37Å; W335-Q339 WeakPolarHBondContact CB-O 3.36Å; I336-Q339 PolarHBondContact N-O 3.47Å; I336-Q339 VanDerWaalsContact N-O 3.17Å; I336-Q339 PolarHBondContact O-N 3.35Å; Q339-F350 HydrophobicContact CB-CB 4.45Å; Q339-D351 PolarHBondContact NE2-O 2.93Å; Q339-I354 HydrophobicContact CG-CG2 4.25Å; Q339-M355 HydrophobicContact CB-CE 3.88Å; Q339-M355 HydrophobicContact CG-CE 4.49Å; Q339-M355 VanDerWaalsContact NE2-CA 3.34Å
340Q98.5Very high97.9Very high50 Ų5063.3 Ų63.323%0.23431%0.313CS..EExtended strand (participates in β ladder)trans-76128.8176-165.1166.419.500110.3W335 L342 Q348W335-Q340 HydrophobicContact CD2-CG 4.36Å; W335-Q340 HydrophobicContact CG-CB 4.4Å; W335-Q340 HydrophobicContact CZ2-CG 4.07Å; W335-Q340 VanDerWaalsContact CZ2-NE2 3.33Å; W335-Q340 VanDerWaalsContact NE1-CB 3.31Å; Q340-L342 WeakPolarHBondContact CG-O 3.5Å; Q340-L342 PolarHBondContact NE2-O 3.28Å; Q340-Q348 HydrophobicContact CG-CG 4.31Å; Q340-Q348 WeakPolarHBondContact O-CB 3.35Å
341L98.4Very high97.9Very high0 Ų059.5 Ų59.50%030%0.298CS..EExtended strand (participates in β ladder)trans-112.8-30.9-177.6-62.1169.5000111.9W313 M334 I336 Q348 F350 M355W313-L341 HydrophobicContact CB-CB 4.3Å; W313-L341 HydrophobicContact CB-CD1 3.66Å; W313-L341 HydrophobicContact CB-CG 4.49Å; W313-L341 HydrophobicContact CG-CB 4.13Å; W313-L341 HydrophobicContact CG-CD1 4.2Å; M334-L341 HydrophobicContact CE-CB 4.1Å; M334-L341 PolarHBondContact O-N 3.16Å; I336-L341 HydrophobicContact CB-CD1 3.94Å; I336-L341 HydrophobicContact CD1-CD1 3.49Å; I336-L341 VanDerWaalsContact CD1-CD1 3.49Å; I336-L341 HydrophobicContact CG1-CD1 3.5Å; I336-L341 VanDerWaalsContact CG1-CD1 3.5Å; L341-Q348 PolarHBondContact O-N 3.02Å; L341-F350 HydrophobicContact CD2-CB 3.96Å; L341-F350 HydrophobicContact CD2-CD1 3.32Å; L341-F350 HydrophobicContact CD2-CD2 4.45Å; L341-F350 HydrophobicContact CD2-CE1 3.89Å; L341-F350 HydrophobicContact CD2-CG 3.66Å; L341-M355 HydrophobicContact CD1-CE 4.16Å; L341-M355 HydrophobicContact CD2-CE 3.88Å; L341-M355 HydrophobicContact CG-CE 4.38Å
342L98.4Very high97.9Very high5 Ų562.6 Ų62.63%0.02631%0.314CS..EExtended strand (participates in β ladder)trans-127.8140.2169.5-68.3175.6000110.2W313 I317 D333 M334 Q340 Q346 P347W313-L342 HydrophobicContact CE3-CD1 4.27Å; W313-L342 HydrophobicContact CE3-CD2 4.31Å; W313-L342 HydrophobicContact CE3-CG 4.22Å; W313-L342 HydrophobicContact CH2-CD2 3.94Å; W313-L342 HydrophobicContact CZ3-CD1 4.13Å; W313-L342 HydrophobicContact CZ3-CD2 3.73Å; W313-L342 HydrophobicContact CZ3-CG 4.1Å; I317-L342 HydrophobicContact CB-CD1 4.09Å; I317-L342 HydrophobicContact CD1-CD1 3.67Å; I317-L342 HydrophobicContact CG1-CD1 3.73Å; D333-L342 VanDerWaalsContact CA-O 3.31Å; D333-L342 WeakPolarHBondContact CA-O 3.35Å; M334-L342 HydrophobicContact CB-CB 4.04Å; M334-L342 HydrophobicContact CB-CD1 4.35Å; M334-L342 HydrophobicContact CB-CG 4.42Å; M334-L342 HydrophobicContact CE-CD1 3.73Å; M334-L342 HydrophobicContact CE-CG 3.89Å; M334-L342 PolarHBondContact N-O 3.14Å; M334-L342 PolarHBondContact O-N 2.89Å; Q340-L342 WeakPolarHBondContact CG-O 3.5Å; Q340-L342 PolarHBondContact NE2-O 3.28Å; L342-Q346 WeakPolarHBondContact CA-O 3.28Å; L342-P347 HydrophobicContact CD2-CG 4.48Å
343K98.5Very high97.8Very high102 Ų10266.7 Ų66.744%0.44334%0.339SS..EExtended strand (participates in β ladder)trans-135.7117.6169-173175.1-179.5173.20109.6D333 S345 Q346 Q348D333-K343 VanDerWaalsContact OD1-CA 3.22Å; D333-K343 WeakPolarHBondContact OD1-CA 3.47Å; K343-S345 PolarHBondContact O-N 3.13Å; K343-Q346 PolarHBondContact N-O 3.31Å; K343-Q346 WeakPolarHBondContact O-CB 3.27Å; K343-Q346 PolarHBondContact O-N 2.78Å; K343-Q348 HydrophobicContact CB-CG 3.91Å
344N97.4Very high97.8Very high86 Ų8669.5 Ų69.546%0.4635%0.353SS..THydrogen-bonded Turntrans45.547.8-167.6-61.1-61.9000111E330 D333 Q346E330-N344 CarbonylContact O-C 3.32Å; D333-N344 PolarHBondContact OD1-N 3.43Å; N344-Q346 PolarHBondContact O-N 3.25Å; N344-Q346 PolarHBondContact O-NE2 3.23Å
345S96.6Very high97.8Very high24 Ų2469.6 Ų69.617%0.16835%0.354CS..THydrogen-bonded Turntrans57.113.7-176.1-58.40000116P329 E330 K331 I332 K343P329-S345 VanDerWaalsContact C-OG 3.29Å; P329-S345 WeakPolarHBondContact O-CB 3.21Å; P329-S345 PolarHBondContact O-OG 3.21Å; E330-S345 VanDerWaalsContact C-OG 3.28Å; K331-S345 PolarHBondContact N-OG 2.91Å; I332-S345 PolarHBondContact N-OG 2.96Å; I332-S345 WeakPolarHBondContact O-CA 3.42Å; I332-S345 PolarHBondContact O-N 2.88Å; K343-S345 PolarHBondContact O-N 3.13Å
346Q98Very high97.7Very high120 Ų12072.6 Ų72.656%0.56137%0.368SS*.EExtended strand (participates in β ladder)trans-91.2129.8171.7-56.3-52-58.200110.1L342 K343 N344 Q348L342-Q346 WeakPolarHBondContact CA-O 3.28Å; K343-Q346 PolarHBondContact N-O 3.31Å; K343-Q346 WeakPolarHBondContact O-CB 3.27Å; K343-Q346 PolarHBondContact O-N 2.78Å; N344-Q346 PolarHBondContact O-N 3.25Å; N344-Q346 PolarHBondContact O-NE2 3.23Å; Q346-Q348 PolarHBondContact O-N 2.99Å; Q346-Q348 PolarHBondContact O-NE2 3.4Å
347P97.9Very high97.7Very high84 Ų8477.9 Ų77.955%0.54539%0.393SS..EExtended strand (participates in β ladder)trans-55135.2173.2-25.434.8000111.9W313 L342W313-P347 HydrophobicContact CH2-CB 4.36Å; W313-P347 HydrophobicContact CH2-CG 4.05Å; W313-P347 HydrophobicContact CZ2-CB 4.11Å; W313-P347 HydrophobicContact CZ2-CG 4.26Å; L342-P347 HydrophobicContact CD2-CG 4.48Å
348Q98Very high97.8Very high70 Ų7077.6 Ų77.633%0.32739%0.388SS..  trans-108.9148.4174.6-55.8-55.3-6900110.2Q340 L341 K343 Q346Q340-Q348 HydrophobicContact CG-CG 4.31Å; Q340-Q348 WeakPolarHBondContact O-CB 3.35Å; L341-Q348 PolarHBondContact O-N 3.02Å; K343-Q348 HydrophobicContact CB-CG 3.91Å; Q346-Q348 PolarHBondContact O-N 2.99Å; Q346-Q348 PolarHBondContact O-NE2 3.4Å
349E96.7Very high97.8Very high198 Ų19870 Ų7093%0.92535%0.347SS*.  trans-70.7142.8166.4-66.2-174164.900109.6
350F96.4Very high97.8Very high58 Ų5873.4 Ų73.425%0.25436%0.363SS..  trans-136158.8177.265.5-90.2000109.9P311 Q339 L341 E352 M355P311-F350 HydrophobicContact CB-CE2 4.23Å; P311-F350 HydrophobicContact CB-CZ 4.14Å; P311-F350 HydrophobicContact CG-CE2 4.29Å; P311-F350 HydrophobicContact CG-CZ 4.11Å; Q339-F350 HydrophobicContact CB-CB 4.45Å; L341-F350 HydrophobicContact CD2-CB 3.96Å; L341-F350 HydrophobicContact CD2-CD1 3.32Å; L341-F350 HydrophobicContact CD2-CD2 4.45Å; L341-F350 HydrophobicContact CD2-CE1 3.89Å; L341-F350 HydrophobicContact CD2-CG 3.66Å; F350-E352 HydrophobicContact CE2-CG 4.23Å; F350-E352 PolarHBondContact O-N 3.49Å; F350-M355 HydrophobicContact CD2-CB 3.81Å; F350-M355 HydrophobicContact CD2-CE 3.98Å; F350-M355 HydrophobicContact CD2-CG 4.11Å; F350-M355 HydrophobicContact CE2-CB 3.88Å; F350-M355 HydrophobicContact CE2-CE 4.41Å; F350-M355 HydrophobicContact CE2-CG 3.89Å; F350-M355 HydrophobicContact CG-CE 4.35Å
351D98Very high97.8Very high73 Ų7376.5 Ų76.539%0.3938%0.376SS..  trans-80.8113.8176.5-175.5-52.6000109.9Q339 T353 I354 M355Q339-D351 PolarHBondContact NE2-O 2.93Å; D351-T353 VanDerWaalsContact C-N 3.28Å; D351-T353 PolarHBondContact O-N 3.42Å; D351-T353 VanDerWaalsContact OD1-CA 3.32Å; D351-T353 WeakPolarHBondContact OD1-CA 3.49Å; D351-T353 VanDerWaalsContact OD1-CB 3.25Å; D351-T353 WeakPolarHBondContact OD1-CB 3.47Å; D351-T353 PolarHBondContact OD1-N 3.24Å; D351-I354 HydrophobicContact CB-CB 4.06Å; D351-I354 HydrophobicContact CB-CD1 3.93Å; D351-I354 HydrophobicContact CB-CG1 4.08Å; D351-I354 PolarHBondContact O-N 3.23Å; D351-I354 PolarHBondContact OD1-N 2.87Å; D351-M355 VanDerWaalsContact O-CB 3.26Å; D351-M355 WeakPolarHBondContact O-CB 3.33Å; D351-M355 PolarHBondContact O-N 2.9Å
352E96.8Very high97.8Very high154 Ų15482.4 Ų82.472%0.7240%0.403SS*.Hα-helixtrans-62.6-32.5-179.6-65.9-173.2176.700113.1F350 K356F350-E352 HydrophobicContact CE2-CG 4.23Å; F350-E352 PolarHBondContact O-N 3.49Å; E352-K356 WeakPolarHBondContact O-CB 3.2Å; E352-K356 PolarHBondContact O-N 2.82Å
353T97.9Very high97.8Very high92 Ų9286.3 Ų86.356%0.56442%0.42SS*.Hα-helixtrans-71-47.6180-57.10000110.3D351 M355 K356 Q357D351-T353 VanDerWaalsContact C-N 3.28Å; D351-T353 PolarHBondContact O-N 3.42Å; D351-T353 VanDerWaalsContact OD1-CA 3.32Å; D351-T353 WeakPolarHBondContact OD1-CA 3.49Å; D351-T353 VanDerWaalsContact OD1-CB 3.25Å; D351-T353 WeakPolarHBondContact OD1-CB 3.47Å; D351-T353 PolarHBondContact OD1-N 3.24Å; T353-M355 VanDerWaalsContact C-N 3.28Å; T353-M355 PolarHBondContact O-N 3.42Å; T353-K356 PolarHBondContact O-N 2.94Å; T353-Q357 WeakPolarHBondContact O-CG 3.29Å; T353-Q357 PolarHBondContact O-N 3.27Å; T353-Q357 VanDerWaalsContact O-N 3.09Å
354I97.8Very high97.8Very high80 Ų8081.5 Ų81.541%0.4140%0.399SS..Hα-helixtrans-65.6-35.9176.4-62.6175.2000110.5Q339 D351 Q357 T358Q339-I354 HydrophobicContact CG-CG2 4.25Å; D351-I354 HydrophobicContact CB-CB 4.06Å; D351-I354 HydrophobicContact CB-CD1 3.93Å; D351-I354 HydrophobicContact CB-CG1 4.08Å; D351-I354 PolarHBondContact O-N 3.23Å; D351-I354 PolarHBondContact OD1-N 2.87Å; I354-Q357 PolarHBondContact O-N 2.84Å; I354-T358 WeakPolarHBondContact O-CB 3.28Å; I354-T358 PolarHBondContact O-N 3.39Å; I354-T358 PolarHBondContact O-OG1 3.24Å
355M98.1Very high97.8Very high2 Ų280.6 Ų80.61%0.0139%0.394CS..Hα-helixtrans-66.3-46.8178.7-176.156.172.900110.8P311 I336 Q339 L341 F350 D351 T353 Q357 T358 L359P311-M355 HydrophobicContact CB-CG 3.47Å; P311-M355 VanDerWaalsContact CB-CG 3.47Å; P311-M355 HydrophobicContact CB-SD 4.19Å; P311-M355 HydrophobicContact CG-CG 4.28Å; I336-M355 HydrophobicContact CB-CE 4.06Å; I336-M355 HydrophobicContact CB-SD 4.03Å; I336-M355 HydrophobicContact CG2-SD 3.83Å; Q339-M355 HydrophobicContact CB-CE 3.88Å; Q339-M355 HydrophobicContact CG-CE 4.49Å; Q339-M355 VanDerWaalsContact NE2-CA 3.34Å; L341-M355 HydrophobicContact CD1-CE 4.16Å; L341-M355 HydrophobicContact CD2-CE 3.88Å; L341-M355 HydrophobicContact CG-CE 4.38Å; F350-M355 HydrophobicContact CD2-CB 3.81Å; F350-M355 HydrophobicContact CD2-CE 3.98Å; F350-M355 HydrophobicContact CD2-CG 4.11Å; F350-M355 HydrophobicContact CE2-CB 3.88Å; F350-M355 HydrophobicContact CE2-CE 4.41Å; F350-M355 HydrophobicContact CE2-CG 3.89Å; F350-M355 HydrophobicContact CG-CE 4.35Å; D351-M355 VanDerWaalsContact O-CB 3.26Å; D351-M355 WeakPolarHBondContact O-CB 3.33Å; D351-M355 PolarHBondContact O-N 2.9Å; T353-M355 VanDerWaalsContact C-N 3.28Å; T353-M355 PolarHBondContact O-N 3.42Å; M355-Q357 VanDerWaalsContact C-N 3.34Å; M355-Q357 PolarHBondContact O-N 2.98Å; M355-T358 WeakPolarHBondContact O-CA 3.3Å; M355-T358 WeakPolarHBondContact O-CB 3.15Å; M355-T358 PolarHBondContact O-N 3.16Å; M355-L359 HydrophobicContact CG-CD1 3.98Å; M355-L359 HydrophobicContact CG-CG 4.48Å; M355-L359 WeakPolarHBondContact O-CG 3.44Å; M355-L359 PolarHBondContact O-N 2.83Å; M355-L359 HydrophobicContact SD-CD1 4.17Å; M355-L359 HydrophobicContact SD-CG 4.21Å
356K97.9Very high98Very high121 Ų12179.5 Ų79.553%0.52639%0.387SS..Hα-helixtrans-56.2-48.9174.8-176176.1179.5-1770111.5E352 T353 T358 L359 E360E352-K356 WeakPolarHBondContact O-CB 3.2Å; E352-K356 PolarHBondContact O-N 2.82Å; T353-K356 PolarHBondContact O-N 2.94Å; K356-T358 PolarHBondContact O-N 3.08Å; K356-L359 PolarHBondContact O-N 2.8Å; K356-L359 VanDerWaalsContact O-N 3.11Å; K356-E360 WeakPolarHBondContact CE-OE1 3.49Å; K356-E360 HydrophobicContact CG-CG 4.43Å; K356-E360 WeakPolarHBondContact O-CG 3.39Å; K356-E360 PolarHBondContact O-N 3.45Å
357Q98.1Very high98Very high111 Ų11175.4 Ų75.452%0.51937%0.37SS..Hα-helixtrans-59.6-31175.8-71173.3-0.400113.2T353 I354 M355 K361T353-Q357 WeakPolarHBondContact O-CG 3.29Å; T353-Q357 PolarHBondContact O-N 3.27Å; T353-Q357 VanDerWaalsContact O-N 3.09Å; I354-Q357 PolarHBondContact O-N 2.84Å; M355-Q357 VanDerWaalsContact C-N 3.34Å; M355-Q357 PolarHBondContact O-N 2.98Å; Q357-K361 WeakPolarHBondContact O-CG 3.41Å
358T98.4Very high98Very high12 Ų1271.5 Ų71.57%0.07434%0.344CS..Hα-helixtrans-71.6-43.5176-62.80000111I336 I354 M355 K356 K361I336-T358 HydrophobicContact CG2-CG2 4.15Å; I354-T358 WeakPolarHBondContact O-CB 3.28Å; I354-T358 PolarHBondContact O-N 3.39Å; I354-T358 PolarHBondContact O-OG1 3.24Å; M355-T358 WeakPolarHBondContact O-CA 3.3Å; M355-T358 WeakPolarHBondContact O-CB 3.15Å; M355-T358 PolarHBondContact O-N 3.16Å; K356-T358 PolarHBondContact O-N 3.08Å; T358-K361 WeakPolarHBondContact O-CB 3.35Å; T358-K361 PolarHBondContact O-N 3.27Å
359L98.4Very high98.1Very high1 Ų169.8 Ų69.81%0.00534%0.337CS..Hα-helixtrans-74.5-25.6-179-66172.2000113K274 M306 E309 P311 I336 M355 K356 K361 I364K274-L359 WeakPolarHBondContact CE-O 3.21Å; K274-L359 PolarHBondContact NZ-O 3.11Å; M306-L359 HydrophobicContact CE-CD2 4.01Å; M306-L359 HydrophobicContact SD-CD2 3.85Å; E309-L359 HydrophobicContact CB-CB 3.97Å; E309-L359 HydrophobicContact CG-CB 4.34Å; E309-L359 VanDerWaalsContact O-CD1 3.31Å; E309-L359 WeakPolarHBondContact O-CD1 3.49Å; P311-L359 HydrophobicContact CB-CD1 3.89Å; I336-L359 HydrophobicContact CG2-CD2 4.06Å; M355-L359 HydrophobicContact CG-CD1 3.98Å; M355-L359 HydrophobicContact CG-CG 4.48Å; M355-L359 WeakPolarHBondContact O-CG 3.44Å; M355-L359 PolarHBondContact O-N 2.83Å; M355-L359 HydrophobicContact SD-CD1 4.17Å; M355-L359 HydrophobicContact SD-CG 4.21Å; K356-L359 PolarHBondContact O-N 2.8Å; K356-L359 VanDerWaalsContact O-N 3.11Å; L359-K361 PolarHBondContact O-N 3.41Å; L359-I364 HydrophobicContact CD2-CD1 3.92Å; L359-I364 HydrophobicContact CD2-CG2 4.29Å
360E98Very high98.2Very high98 Ų9860.3 Ų60.346%0.45829%0.293SS..THydrogen-bonded Turntrans-65.3-20.5173.1-77.7172.7172.600113.1K274 K356K274-E360 PolarHBondContact NZ-O 2.82Å; K356-E360 WeakPolarHBondContact CE-OE1 3.49Å; K356-E360 HydrophobicContact CG-CG 4.43Å; K356-E360 WeakPolarHBondContact O-CG 3.39Å; K356-E360 PolarHBondContact O-N 3.45Å
361K98.3Very high98.3Very high115 Ų11560.8 Ų60.850%0.530%0.298SS..SBendtrans-66.8150.3-178.7-63.5173.9-174.3171.80112Q357 T358 L359 K363Q357-K361 WeakPolarHBondContact O-CG 3.41Å; T358-K361 WeakPolarHBondContact O-CB 3.35Å; T358-K361 PolarHBondContact O-N 3.27Å; L359-K361 PolarHBondContact O-N 3.41Å; K361-K363 WeakPolarHBondContact CB-O 3.09Å; K361-K363 PolarHBondContact O-N 2.87Å
362E97.7Very high98.3Very high125 Ų12559.3 Ų59.358%0.58429%0.29SS*.SBendtrans-64.5-20.2170.1-68.6-171.7-170.300113.1K267 K274 L275K267-E362 IonicContact NZ-OE2 2.8Å; K267-E362 PolarHBondContact NZ-OE2 2.92Å; K274-E362 CarbonylContact C-O 3.58Å; K274-E362 VanDerWaalsContact CA-O 3.27Å; K274-E362 WeakPolarHBondContact CA-O 3.45Å; L275-E362 PolarHBondContact N-O 3.27Å
363K98.5Very high98.3Very high87 Ų8753.5 Ų53.538%0.37827%0.272SS..EExtended strand (participates in β ladder)trans-125.3123.6178174.3175.3163.6159.20109.7L275 E277 K361 N365L275-K363 WeakPolarHBondContact O-CA 3.38Å; E277-K363 HydrophobicContact CG-CD 4.35Å; E277-K363 HydrophobicContact CG-CG 4.37Å; E277-K363 WeakPolarHBondContact OE1-CE 3.24Å; E277-K363 IonicContact OE1-NZ 2.71Å; E277-K363 PolarHBondContact OE1-NZ 2.96Å; E277-K363 VanDerWaalsContact OE2-CE 3.3Å; E277-K363 WeakPolarHBondContact OE2-CE 3.35Å; E277-K363 IonicContact OE2-NZ 2.68Å; E277-K363 PolarHBondContact OE2-NZ 2.9Å; K361-K363 WeakPolarHBondContact CB-O 3.09Å; K361-K363 PolarHBondContact O-N 2.87Å; K363-N365 WeakPolarHBondContact CE-OD1 3.18Å
364I98.6Very high98.3Very high0 Ų057.9 Ų57.90%029%0.286CS..EExtended strand (participates in β ladder)trans-115.2126.9176.7-60.1167.7000108.7K274 L275 I276 E277 M306 I336 L359 I366K274-I364 HydrophobicContact CD-CD1 3.68Å; L275-I364 PolarHBondContact O-N 3.03Å; I276-I364 WeakPolarHBondContact CA-O 3.2Å; E277-I364 PolarHBondContact N-O 2.9Å; M306-I364 HydrophobicContact CB-CD1 3.97Å; M306-I364 HydrophobicContact CG-CD1 4.28Å; M306-I364 HydrophobicContact SD-CD1 3.84Å; M306-I364 HydrophobicContact SD-CG2 3.86Å; I336-I364 HydrophobicContact CG2-CG2 4.02Å; L359-I364 HydrophobicContact CD2-CD1 3.92Å; L359-I364 HydrophobicContact CD2-CG2 4.29Å; I364-I366 HydrophobicContact CG2-CG1 4.44Å
365N98.7Very high98.4Very high68 Ų6858.7 Ų58.736%0.36429%0.288SS..EExtended strand (participates in β ladder)trans-99.4131174.1-60.3-36.4000109.4E277 G337 K363E277-N365 WeakPolarHBondContact O-CA 3.44Å; G337-N365 PolarHBondContact N-O 2.88Å; K363-N365 WeakPolarHBondContact CE-OD1 3.18Å
366I98.8Very high98.4Very high1 Ų161.7 Ų61.71%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-117.7124.9172-61.2170.7000107I276 E277 A278 Q279 V296 V302 M306 I316 W335 I336 I364 V368I276-I366 HydrophobicContact CG2-CD1 3.7Å; I276-I366 HydrophobicContact CG2-CG1 4.39Å; E277-I366 PolarHBondContact O-N 3.41Å; A278-I366 CarbonylContact C-O 3.58Å; A278-I366 VanDerWaalsContact CA-O 3.32Å; A278-I366 WeakPolarHBondContact CA-O 3.45Å; Q279-I366 PolarHBondContact N-O 3.03Å; V296-I366 HydrophobicContact CG1-CD1 4.04Å; V296-I366 HydrophobicContact CG1-CG2 4.29Å; V302-I366 HydrophobicContact CG1-CD1 4.17Å; M306-I366 HydrophobicContact SD-CD1 4.35Å; I316-I366 HydrophobicContact CD1-CD1 3.82Å; I316-I366 HydrophobicContact CD1-CG1 4.22Å; I316-I366 HydrophobicContact CD1-CG2 4.17Å; I316-I366 HydrophobicContact CG1-CD1 4.33Å; I316-I366 HydrophobicContact CG2-CG2 3.82Å; W335-I366 WeakPolarHBondContact O-CA 3.29Å; I336-I366 HydrophobicContact CG1-CG1 4.46Å; I364-I366 HydrophobicContact CG2-CG1 4.44Å; I366-V368 HydrophobicContact CG2-CG2 4.39Å
367T98.8Very high98.4Very high34 Ų3456.3 Ų56.321%0.20929%0.288CS..EExtended strand (participates in β ladder)trans-116133.9176-55.10000109.3Q279 M334 W335Q279-T367 CarbonylContact O-C 3.57Å; Q279-T367 WeakPolarHBondContact O-CA 3.31Å; M334-T367 CarbonylContact C-O 3.58Å; M334-T367 VanDerWaalsContact CA-O 3.29Å; M334-T367 WeakPolarHBondContact CA-O 3.48Å; W335-T367 HydrophobicContact CE3-CG2 4.05Å; W335-T367 HydrophobicContact CZ3-CG2 4.45Å; W335-T367 PolarHBondContact N-O 3.43Å; W335-T367 PolarHBondContact O-N 2.91Å
368V98.8Very high98.4Very high1 Ų154.2 Ų54.21%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-127.7125.7174.7178.60000108.4Q279 V280 V281 V320 I332 D333 M334 I366 L370Q279-V368 PolarHBondContact O-N 3.34Å; V280-V368 CarbonylContact C-O 3.55Å; V280-V368 VanDerWaalsContact CA-O 3.28Å; V280-V368 WeakPolarHBondContact CA-O 3.47Å; V280-V368 HydrophobicContact CG2-CB 4.32Å; V281-V368 PolarHBondContact N-O 2.92Å; V320-V368 HydrophobicContact CG1-CG1 4.37Å; V320-V368 HydrophobicContact CG2-CG1 4.05Å; V320-V368 HydrophobicContact CG2-CG2 3.99Å; I332-V368 HydrophobicContact CG2-CG1 3.87Å; D333-V368 WeakPolarHBondContact O-CA 3.25Å; M334-V368 HydrophobicContact CG-CG2 4.17Å; I366-V368 HydrophobicContact CG2-CG2 4.39Å; V368-L370 HydrophobicContact CG1-CD2 3.85Å
369D98.8Very high98.4Very high34 Ų3453.6 Ų53.618%0.18227%0.274CS..EExtended strand (participates in β ladder)trans-104119.8168-163.2-25.2000109V281 G282 I332 D333 W335 N371V281-D369 HydrophobicContact CG2-CB 3.74Å; G282-D369 WeakPolarHBondContact CA-OD1 3.29Å; I332-D369 WeakPolarHBondContact CA-O 3.46Å; D333-D369 HydrophobicContact CB-CB 4.09Å; D333-D369 PolarHBondContact N-O 3.36Å; D333-D369 PolarHBondContact O-N 3.49Å; W335-D369 HydrophobicContact CH2-CB 4.46Å; W335-D369 HydrophobicContact CZ3-CB 4.08Å; D369-N371 PolarHBondContact OD1-N 2.94Å
370L98.6Very high98.4Very high0 Ų053.7 Ų53.70%028%0.275CS..  trans-82-15.3178-58.9-179.3000112.7V280 V281 A283 V292 V320 T327 V368 I372V280-L370 HydrophobicContact CG1-CD1 3.85Å; V280-L370 HydrophobicContact CG1-CG 3.89Å; V281-L370 PolarHBondContact O-N 2.9Å; A283-L370 HydrophobicContact CB-CD1 3.93Å; V292-L370 HydrophobicContact CG2-CD1 4.32Å; V320-L370 HydrophobicContact CG1-CD2 3.82Å; T327-L370 HydrophobicContact CG2-CD2 4.31Å; V368-L370 HydrophobicContact CG1-CD2 3.85Å; L370-I372 HydrophobicContact CB-CD1 4.41Å; L370-I372 HydrophobicContact CB-CG1 3.97Å; L370-I372 WeakPolarHBondContact O-CG2 3.28Å; L370-I372 PolarHBondContact O-N 2.88Å; L370-I372 VanDerWaalsContact O-N 3.09Å
371N98.5Very high98.5Very high67 Ų6749 Ų4936%0.35825%0.253SS..SBendtrans51.132177-75.2-63.8000115.2G282 K331 D369G282-N371 PolarHBondContact O-N 3.29Å; K331-N371 HydrophobicContact CB-CB 3.96Å; K331-N371 WeakPolarHBondContact O-CB 3.3Å; K331-N371 PolarHBondContact O-ND2 3.31Å; D369-N371 PolarHBondContact OD1-N 2.94Å
372I97.8Very high98.5Very high42 Ų4243.7 Ų43.722%0.21523%0.23CC..SBendtrans-122.7-2.5179.658.6170.2000113.8G282 L284 H326 D328 L370G282-I372 CarbonylContact O-C 3.58Å; G282-I372 VanDerWaalsContact O-CG1 3.29Å; G282-I372 WeakPolarHBondContact O-CG1 3.26Å; G282-I372 PolarHBondContact O-N 2.8Å; L284-I372 WeakPolarHBondContact CD2-O 3.48Å; L284-I372 HydrophobicContact CG-CD1 4.1Å; L284-I372 HydrophobicContact CG-CG1 4.35Å; H326-I372 HydrophobicContact CB-CD1 4.02Å; H326-I372 WeakPolarHBondContact O-CD1 3.3Å; D328-I372 HydrophobicContact CB-CG2 3.85Å; L370-I372 HydrophobicContact CB-CD1 4.41Å; L370-I372 HydrophobicContact CB-CG1 3.97Å; L370-I372 WeakPolarHBondContact O-CG2 3.28Å; L370-I372 PolarHBondContact O-N 2.88Å; L370-I372 VanDerWaalsContact O-N 3.09Å
373G97.8Very high98.5Very high33 Ų3337.9 Ų37.934%0.3420%0.203SC..  trans-169.1-157.117900000111.9G282 A283G282-G373 CarbonylContact C-O 3.58Å; G282-G373 VanDerWaalsContact CA-O 3.27Å; G282-G373 WeakPolarHBondContact CA-O 3.25Å; G282-G373 PolarHBondContact O-N 2.81Å; A283-G373 CarbonylContact O-C 3.52Å; A283-G373 WeakPolarHBondContact O-CA 3.41Å
374E98.1Very high98.5Very high183 Ų18335.7 Ų35.786%0.85520%0.195SC*.SBendtrans-123.6-1.7-173.8-61.5-178.717200113A283A283-E374 PolarHBondContact O-N 3.09Å; A283-E374 VanDerWaalsContact O-N 3.16Å
375Q98.6Very high98.5Very high97 Ų9736.1 Ų36.145%0.45320%0.197SC..EExtended strand (participates in β ladder)trans-91.4154.4-173.3-61.4-67.6-62.700111.3V281 G282 A283V281-Q375 CarbonylContact C-O 3.49Å; G282-Q375 PolarHBondContact N-O 2.79Å; A283-Q375 PolarHBondContact N-O 2.9Å; A283-Q375 WeakPolarHBondContact O-CB 3.11Å; A283-Q375 PolarHBondContact O-N 3.03Å
376S98.5Very high98.4Very high66 Ų6642.1 Ų42.146%0.46222%0.216SC..EExtended strand (participates in β ladder)trans-133.4165.1-176.164.40000112.5V280V280-S376 CarbonylContact O-C 3.54Å; V280-S376 WeakPolarHBondContact O-CA 3.27Å; V280-S376 WeakPolarHBondContact O-CB 3.29Å
377G98.4Very high98.4Very high7 Ų746.6 Ų46.67%0.07224%0.236CC..EExtended strand (participates in β ladder)trans-161.6156.1-178.800000110.3V280 A289V280-G377 PolarHBondContact N-O 3.23Å; V280-G377 PolarHBondContact O-N 3.21Å; V280-G377 VanDerWaalsContact O-O 3.13Å; A289-G377 VanDerWaalsContact CB-N 3.26Å
378Q98.5Very high98.3Very high67 Ų6747 Ų4731%0.31323%0.234SC..EExtended strand (participates in β ladder)trans-137.7154.3-178.9-68.1-178.4-3.400110.1Q214 A278 Q279 W380Q214-Q378 WeakPolarHBondContact CB-O 3.5Å; Q214-Q378 WeakPolarHBondContact CG-O 3.35Å; Q214-Q378 PolarHBondContact NE2-O 3.01Å; A278-Q378 CarbonylContact O-C 3.54Å; A278-Q378 VanDerWaalsContact O-CA 3.23Å; A278-Q378 WeakPolarHBondContact O-CA 3.38Å; Q279-Q378 HydrophobicContact CB-CG 4.14Å; Q279-Q378 HydrophobicContact CG-CG 4.02Å; Q378-W380 HydrophobicContact CB-CZ2 4.21Å
379A98.7Very high98.2Very high0 Ų051 Ų510%026%0.258CS..EExtended strand (participates in β ladder)trans-149.2157.2171.200000111Q214 A278 A293 K294 V297Q214-A379 HydrophobicContact CB-CB 4.41Å; Q214-A379 CarbonylContact O-C 3.51Å; Q214-A379 WeakPolarHBondContact O-CA 3.35Å; Q214-A379 VanDerWaalsContact O-CB 3.27Å; Q214-A379 WeakPolarHBondContact O-CB 3.3Å; A278-A379 PolarHBondContact N-O 2.96Å; A278-A379 PolarHBondContact O-N 3.46Å; A293-A379 VanDerWaalsContact C-CB 3.44Å; A293-A379 HydrophobicContact CB-CB 3.67Å; K294-A379 VanDerWaalsContact CA-CB 3.45Å; K294-A379 HydrophobicContact CB-CB 3.93Å; K294-A379 HydrophobicContact CG-CB 4.48Å; K294-A379 VanDerWaalsContact N-CB 3.3Å; V297-A379 HydrophobicContact CG2-CB 3.79Å
380W98.7Very high98Very high3 Ų353.8 Ų53.81%0.01127%0.27CS..EExtended strand (participates in β ladder)trans-126138.5-178.8-49.7-81.7000110.5Q214 I215 T216 E259 K263 A266 L275 I276 Q378Q214-W380 HydrophobicContact CB-CE3 4.04Å; Q214-W380 HydrophobicContact CB-CZ3 3.74Å; Q214-W380 PolarHBondContact O-N 3.33Å; I215-W380 CarbonylContact C-O 3.51Å; I215-W380 WeakPolarHBondContact CA-O 3.35Å; I215-W380 HydrophobicContact CG2-CB 4.19Å; I215-W380 HydrophobicContact CG2-CE3 3.93Å; T216-W380 PolarHBondContact N-O 3.48Å; E259-W380 HydrophobicContact CG-CH2 3.76Å; E259-W380 HydrophobicContact CG-CZ2 3.95Å; E259-W380 HydrophobicContact CG-CZ3 4.49Å; K263-W380 HydrophobicContact CG-CD2 4Å; K263-W380 HydrophobicContact CG-CG 3.95Å; A266-W380 HydrophobicContact CB-CB 3.83Å; L275-W380 HydrophobicContact CD1-CB 4.3Å; I276-W380 WeakPolarHBondContact O-CA 3.43Å; Q378-W380 HydrophobicContact CB-CZ2 4.21Å
381G98.5Very high97.7Very high0 Ų055.5 Ų55.50%028%0.28CS..EExtended strand (participates in β ladder)trans-148.5-168.2169.600000110.2T216 L275 I276T216-G381 WeakPolarHBondContact O-CA 3.43Å; L275-G381 WeakPolarHBondContact CD1-O 3.4Å; I276-G381 PolarHBondContact N-O 2.75Å; I276-G381 PolarHBondContact O-N 2.75Å
382C98.6Very high97.4Very high2 Ų255.3 Ų55.31%0.01428%0.279CS..EExtended strand (participates in β ladder)trans-123.1175.1173.563.80000111.5A266 A272 K274 I276 K303A266-C382 WeakPolarHBondContact O-CB 3.47Å; A272-C382 HydrophobicContact CB-CB 3.54Å; K274-C382 WeakPolarHBondContact O-CA 3.19Å; K274-C382 WeakPolarHBondContact O-CB 3.35Å; I276-C382 WeakPolarHBondContact CD1-O 3.44Å; K303-C382 VanDerWaalsContact CG-O 3.29Å; K303-C382 WeakPolarHBondContact CG-O 3.31Å; K303-C382 PolarHBondContact NZ-O 3.2Å; K303-C382 PolarHBondContact NZ-SG 3.32Å
383D98.5Very high97.1Very high4 Ų457 Ų572%0.02130%0.3CS..  trans-68.1175.5167.364.6-31.5000113A272 T273 K274 K303 M306 F307 T385A272-D383 WeakPolarHBondContact CA-OD1 3.38Å; T273-D383 PolarHBondContact N-OD1 2.96Å; T273-D383 PolarHBondContact N-OD2 3.47Å; T273-D383 PolarHBondContact OG1-OD2 3.44Å; K274-D383 HydrophobicContact CB-CB 4.28Å; K274-D383 PolarHBondContact N-OD1 3.29Å; K274-D383 PolarHBondContact O-N 3.4Å; K303-D383 PolarHBondContact NZ-O 3.11Å; K303-D383 VanDerWaalsContact NZ-O 3.17Å; K303-D383 WeakPolarHBondContact O-CA 3.45Å; K303-D383 WeakPolarHBondContact O-CB 3.24Å; M306-D383 HydrophobicContact CB-CB 4.48Å; F307-D383 HydrophobicContact CB-CB 3.87Å; F307-D383 WeakPolarHBondContact CD2-OD2 3.44Å; D383-T385 VanDerWaalsContact OD2-CG2 3.29Å; D383-T385 WeakPolarHBondContact OD2-CG2 3.44Å
384L98.4Very high96.7Very high41 Ų4160 Ų6022%0.21531%0.307CS..  trans-123110.7176-17198.4000108.5K303 T304 Y388K303-L384 HydrophobicContact CB-CB 3.72Å; K303-L384 PolarHBondContact O-N 3.09Å; T304-L384 HydrophobicContact CG2-CB 3.94Å; T304-L384 HydrophobicContact CG2-CD2 3.48Å; T304-L384 VanDerWaalsContact CG2-CD2 3.48Å; T304-L384 HydrophobicContact CG2-CG 4.31Å; L384-Y388 HydrophobicContact CD1-CD1 3.78Å; L384-Y388 HydrophobicContact CD1-CE1 4.06Å; L384-Y388 HydrophobicContact CD1-CG 4.25Å; L384-Y388 HydrophobicContact CG-CD1 4.46Å
385T98.2Very high95.9Very high8 Ų855.2 Ų55.25%0.04928%0.282CS..  trans-110.3169.6-170.676.10000112.1G271 T273 F307 D383 K387 Y388G271-T385 WeakPolarHBondContact O-CB 3.17Å; G271-T385 WeakPolarHBondContact O-CG2 3.4Å; G271-T385 PolarHBondContact O-OG1 3.11Å; T273-T385 HydrophobicContact CG2-CG2 4.23Å; F307-T385 HydrophobicContact CB-CG2 4.47Å; F307-T385 HydrophobicContact CD1-CG2 4.47Å; F307-T385 HydrophobicContact CD2-CG2 3.42Å; F307-T385 VanDerWaalsContact CD2-CG2 3.42Å; F307-T385 HydrophobicContact CE2-CG2 3.64Å; F307-T385 HydrophobicContact CG-CG2 3.88Å; F307-T385 HydrophobicContact CZ-CG2 4.27Å; D383-T385 VanDerWaalsContact OD2-CG2 3.29Å; D383-T385 WeakPolarHBondContact OD2-CG2 3.44Å; T385-K387 PolarHBondContact O-N 3.42Å; T385-K387 PolarHBondContact OG1-N 3.24Å; T385-K387 VanDerWaalsContact OG1-N 3.14Å; T385-Y388 WeakPolarHBondContact O-CB 3.42Å; T385-Y388 PolarHBondContact O-N 3.22Å; T385-Y388 PolarHBondContact OG1-N 3.12Å
386Y97.7Very high94.8Very high195 Ų19557.4 Ų57.477%0.76529%0.292SS*.Hα-helixtrans-61.2-31.1169-58.8-63.2000112.2F307 V389 E390F307-Y386 AromaticContact CE1-CD2 3.85Å; F307-Y386 HydrophobicContact CE1-CD2 3.85Å; F307-Y386 AromaticContact CE1-CE2 3.86Å; F307-Y386 HydrophobicContact CE1-CE2 3.86Å; F307-Y386 HydrophobicContact CZ-CD2 4.15Å; F307-Y386 HydrophobicContact CZ-CE2 4.44Å; Y386-V389 PolarHBondContact O-N 3.05Å; Y386-E390 PolarHBondContact O-N 3.18Å
387K97.2Very high93.6Very high94 Ų9461.9 Ų61.941%0.40932%0.317SS..Hα-helixtrans-68.1-35.8-179.8-174.259174.7-175.70112T385 V389 E390 V391T385-K387 PolarHBondContact O-N 3.42Å; T385-K387 PolarHBondContact OG1-N 3.24Å; T385-K387 VanDerWaalsContact OG1-N 3.14Å; K387-V389 VanDerWaalsContact C-N 3.26Å; K387-V389 PolarHBondContact O-N 3.47Å; K387-E390 HydrophobicContact CD-CB 4.33Å; K387-E390 WeakPolarHBondContact CD-OE2 3.43Å; K387-E390 IonicContact NZ-OE1 3.58Å; K387-E390 PolarHBondContact NZ-OE1 3.33Å; K387-E390 IonicContact NZ-OE2 3.25Å; K387-E390 PolarHBondContact NZ-OE2 3.04Å; K387-E390 PolarHBondContact O-N 3.23Å; K387-V391 HydrophobicContact CD-CG2 4.18Å; K387-V391 HydrophobicContact CG-CG2 4.21Å; K387-V391 VanDerWaalsContact O-CG2 3.31Å; K387-V391 WeakPolarHBondContact O-CG2 3.26Å; K387-V391 PolarHBondContact O-N 3.17Å
388Y96.7Very high93.3Very high42 Ų4264.6 Ų64.617%0.16533%0.329CS..Hα-helixtrans-53.9-46.9172.2174.8-95.4000111.1D218 E270 L384 T385 N392D218-Y388 HydrophobicContact CB-CE2 4.11Å; D218-Y388 WeakPolarHBondContact CB-OH 3.28Å; E270-Y388 HydrophobicContact CB-CD2 3.92Å; E270-Y388 HydrophobicContact CB-CE2 4.38Å; E270-Y388 WeakPolarHBondContact O-CA 3.43Å; E270-Y388 VanDerWaalsContact O-CB 3.27Å; E270-Y388 WeakPolarHBondContact O-CB 3.32Å; E270-Y388 WeakPolarHBondContact O-CD2 3.05Å; L384-Y388 HydrophobicContact CD1-CD1 3.78Å; L384-Y388 HydrophobicContact CD1-CE1 4.06Å; L384-Y388 HydrophobicContact CD1-CG 4.25Å; L384-Y388 HydrophobicContact CG-CD1 4.46Å; T385-Y388 WeakPolarHBondContact O-CB 3.42Å; T385-Y388 PolarHBondContact O-N 3.22Å; T385-Y388 PolarHBondContact OG1-N 3.12Å; Y388-N392 VanDerWaalsContact CE2-ND2 3.34Å; Y388-N392 WeakPolarHBondContact CE2-ND2 3.28Å; Y388-N392 PolarHBondContact O-N 3.24Å; Y388-N392 VanDerWaalsContact O-N 3.16Å; Y388-N392 PolarHBondContact O-ND2 2.9Å
389V96.2Very high93.1Very high85 Ų8564.5 Ų64.552%0.51533%0.33SS..Hα-helixtrans-65-44.5178.8-178.40000111Y386 K387 N392 A393Y386-V389 PolarHBondContact O-N 3.05Å; K387-V389 VanDerWaalsContact C-N 3.26Å; K387-V389 PolarHBondContact O-N 3.47Å; V389-N392 PolarHBondContact O-N 3.18Å; V389-A393 WeakPolarHBondContact O-CB 3.43Å; V389-A393 PolarHBondContact O-N 3.46Å
390E94.9Very high92.8Very high94 Ų9468.1 Ų68.144%0.43935%0.348SS..Hα-helixtrans-59.3-48.6178.1-171.2-162.2147.700112.1Y386 K387 N392 L394Y386-E390 PolarHBondContact O-N 3.18Å; K387-E390 HydrophobicContact CD-CB 4.33Å; K387-E390 WeakPolarHBondContact CD-OE2 3.43Å; K387-E390 IonicContact NZ-OE1 3.58Å; K387-E390 PolarHBondContact NZ-OE1 3.33Å; K387-E390 IonicContact NZ-OE2 3.25Å; K387-E390 PolarHBondContact NZ-OE2 3.04Å; K387-E390 PolarHBondContact O-N 3.23Å; E390-N392 PolarHBondContact O-N 3.19Å; E390-L394 HydrophobicContact CG-CD1 4.15Å; E390-L394 WeakPolarHBondContact O-CB 3.48Å; E390-L394 WeakPolarHBondContact O-CG 3.42Å; E390-L394 PolarHBondContact O-N 3.46Å; E390-L394 VanDerWaalsContact O-N 3.17Å
391V92.3Very high92.4Very high36 Ų3671.9 Ų71.922%0.21837%0.368CS..Hα-helixtrans-60-45.9-179.6170.20000111T148 E270 K387 Y395T148-V391 HydrophobicContact CG2-CG1 4.47Å; E270-V391 HydrophobicContact CB-CG1 4.34Å; E270-V391 HydrophobicContact CG-CG1 4.19Å; K387-V391 HydrophobicContact CD-CG2 4.18Å; K387-V391 HydrophobicContact CG-CG2 4.21Å; K387-V391 VanDerWaalsContact O-CG2 3.31Å; K387-V391 WeakPolarHBondContact O-CG2 3.26Å; K387-V391 PolarHBondContact O-N 3.17Å; V391-Y395 WeakPolarHBondContact O-CA 3.29Å; V391-Y395 PolarHBondContact O-N 2.8Å; V391-Y395 VanDerWaalsContact O-N 3.11Å
392N93.4Very high92Very high63 Ų6376.4 Ų76.434%0.33739%0.391SS..Hα-helixtrans-79.2-33.1-175.8-77.5-76.5000113.4E270 Y388 V389 E390 L394E270-N392 PolarHBondContact OE2-ND2 3.45Å; E270-N392 PolarHBondContact OE2-OD1 2.92Å; Y388-N392 VanDerWaalsContact CE2-ND2 3.34Å; Y388-N392 WeakPolarHBondContact CE2-ND2 3.28Å; Y388-N392 PolarHBondContact O-N 3.24Å; Y388-N392 VanDerWaalsContact O-N 3.16Å; Y388-N392 PolarHBondContact O-ND2 2.9Å; V389-N392 PolarHBondContact O-N 3.18Å; E390-N392 PolarHBondContact O-N 3.19Å; N392-L394 VanDerWaalsContact C-N 3.26Å; N392-L394 PolarHBondContact O-N 2.83Å
393A92.2Very high91.6Very high78 Ų7881.3 Ų81.365%0.64542%0.416SS*.Hα-helixtrans-68.1-27.8175.200000112.5V389V389-A393 WeakPolarHBondContact O-CB 3.43Å; V389-A393 PolarHBondContact O-N 3.46Å
394L87.5Confident91.1Very high94 Ų9486.9 Ų86.949%0.49244%0.444SS..THydrogen-bonded Turntrans-110.412.9-176.7-57.5178.2000113.4E390 N392 H396 T397E390-L394 HydrophobicContact CG-CD1 4.15Å; E390-L394 WeakPolarHBondContact O-CB 3.48Å; E390-L394 WeakPolarHBondContact O-CG 3.42Å; E390-L394 PolarHBondContact O-N 3.46Å; E390-L394 VanDerWaalsContact O-N 3.17Å; N392-L394 VanDerWaalsContact C-N 3.26Å; N392-L394 PolarHBondContact O-N 2.83Å; L394-H396 PolarHBondContact O-N 3.42Å; L394-T397 WeakPolarHBondContact CA-OG1 3.19Å; L394-T397 PolarHBondContact O-N 3.43Å; L394-T397 PolarHBondContact O-OG1 2.86Å
395Y83.1Confident90.5Very high84 Ų8490.4 Ų90.433%0.32946%0.462SS..THydrogen-bonded Turntrans-53.8-29.3-171.3-175.1-101000114.6V114 T148 V391V114-Y395 HydrophobicContact CG2-CE1 4Å; T148-Y395 HydrophobicContact CG2-CD2 4.15Å; T148-Y395 HydrophobicContact CG2-CE2 3.69Å; V391-Y395 WeakPolarHBondContact O-CA 3.29Å; V391-Y395 PolarHBondContact O-N 2.8Å; V391-Y395 VanDerWaalsContact O-N 3.11Å
396H75.3Confident89.9Confident143 Ų14397.3 Ų97.366%0.66250%0.496SS*.THydrogen-bonded Turntrans-103.5-3.8179.9-66.4143.4000115.3L394L394-H396 PolarHBondContact O-N 3.42Å
397T72.2Confident89.2Confident159 Ų15988.4 Ų88.498%0.97547%0.472SS*.  trans-116.70-167.953.70000113.6L394L394-T397 WeakPolarHBondContact CA-OG1 3.19Å; L394-T397 PolarHBondContact O-N 3.43Å; L394-T397 PolarHBondContact O-OG1 2.86Å

Retrieved 397 of 397 residues in 684.5 ms (Link to these results)

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