A0A077ZHF4_TRITR Loading...

Large ribosomal subunit protein bL17m

AlphaFold DB , UniProt , Accession A0A077ZHF4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 111 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
1M87.6Confident96.1Very high116 Ų11638.2 Ų38.257%0.57119%0.186SC*.  0-72.50-159.9-170.979.500112.9R3 D4 L5 R21M1-R3 PolarHBondContact O-N 2.68Å; M1-D4 VanDerWaalsContact CA-OD2 3.22Å; M1-D4 WeakPolarHBondContact CA-OD2 3.41Å; M1-D4 PolarHBondContact N-OD2 3.22Å; M1-D4 PolarHBondContact O-N 3.27Å; M1-D4 VanDerWaalsContact O-N 3.17Å; M1-L5 HydrophobicContact CG-CD1 4.47Å; M1-L5 PolarHBondContact O-N 3.49Å; M1-L5 VanDerWaalsContact O-N 3.08Å; M1-R21 HydrophobicContact CE-CG 4.19Å
2L94.6Very high96.2Very high54 Ų5443.3 Ų43.328%0.28322%0.215SC..Hα-helixtrans-63.2-39.4-173.9-67.7179.1000113.8D4 T6 E24 V25 F50L2-D4 VanDerWaalsContact C-N 3.28Å; L2-D4 PolarHBondContact O-N 3.37Å; L2-T6 WeakPolarHBondContact O-CB 3.4Å; L2-T6 PolarHBondContact O-N 2.76Å; L2-T6 PolarHBondContact O-OG1 2.78Å; L2-E24 HydrophobicContact CD2-CB 3.62Å; L2-V25 HydrophobicContact CD2-CG2 4.27Å; L2-F50 HydrophobicContact CB-CZ 4.47Å
3R96.3Very high96.2Very high86 Ų8644.3 Ų44.333%0.32522%0.219SC..Hα-helixtrans-58.7-42.6174.6-66.8-179.264.9169.96111.7M1 T7 S49 F50M1-R3 PolarHBondContact O-N 2.68Å; R3-T7 WeakPolarHBondContact O-CB 3.47Å; R3-T7 PolarHBondContact O-N 3.15Å; R3-T7 PolarHBondContact O-OG1 2.94Å; R3-S49 PolarHBondContact NH1-O 3.02Å; R3-S49 PolarHBondContact NH2-O 3Å; R3-F50 HydrophobicContact CB-CZ 4.44Å; R3-F50 WeakPolarHBondContact CB-O 3.35Å; R3-F50 HydrophobicContact CG-CD1 4.4Å; R3-F50 HydrophobicContact CG-CD2 3.75Å; R3-F50 HydrophobicContact CG-CE1 4.23Å; R3-F50 HydrophobicContact CG-CE2 3.56Å; R3-F50 HydrophobicContact CG-CG 4.18Å; R3-F50 HydrophobicContact CG-CZ 3.81Å; R3-F50 WeakPolarHBondContact CG-O 3.49Å; R3-F50 PolarHBondContact NE-O 2.63Å; R3-F50 PolarHBondContact NH2-O 3.28Å
4D97.2Very high96.3Very high47 Ų4751.6 Ų51.625%0.25124%0.242SC..Hα-helixtrans-67.9-53.6-176.9-40.7-42.1000109.1M1 L2 T6 T7 D8 R52M1-D4 VanDerWaalsContact CA-OD2 3.22Å; M1-D4 WeakPolarHBondContact CA-OD2 3.41Å; M1-D4 PolarHBondContact N-OD2 3.22Å; M1-D4 PolarHBondContact O-N 3.27Å; M1-D4 VanDerWaalsContact O-N 3.17Å; L2-D4 VanDerWaalsContact C-N 3.28Å; L2-D4 PolarHBondContact O-N 3.37Å; D4-T6 VanDerWaalsContact C-N 3.29Å; D4-T6 PolarHBondContact O-N 2.84Å; D4-T7 CarbonylContact O-C 3.58Å; D4-T7 WeakPolarHBondContact O-CA 3.27Å; D4-T7 WeakPolarHBondContact O-CB 3.36Å; D4-T7 PolarHBondContact O-N 3.28Å; D4-D8 PolarHBondContact O-N 3.16Å; D4-R52 IonicContact OD1-CZ 2.95Å; D4-R52 VanDerWaalsContact OD1-CZ 3.28Å; D4-R52 IonicContact OD1-NE 3.53Å; D4-R52 PolarHBondContact OD1-NE 3.19Å; D4-R52 IonicContact OD1-NH2 3.89Å; D4-R52 PolarHBondContact OD1-NH2 2.85Å; D4-R52 IonicContact OD2-NH2 3.02Å
5L97.3Very high96.4Very high27 Ų2749.3 Ų49.314%0.14123%0.232CC..Hα-helixtrans-60.7-33.3177.2-68.8174.4000114.2M1 T7 L9 I15 R21 V25M1-L5 HydrophobicContact CG-CD1 4.47Å; M1-L5 PolarHBondContact O-N 3.49Å; M1-L5 VanDerWaalsContact O-N 3.08Å; L5-T7 VanDerWaalsContact C-N 3.35Å; L5-L9 WeakPolarHBondContact O-CB 3.45Å; L5-L9 PolarHBondContact O-N 3.12Å; L5-I15 HydrophobicContact CB-CD1 4.45Å; L5-I15 HydrophobicContact CD2-CD1 4.43Å; L5-R21 HydrophobicContact CD1-CB 4.11Å; L5-R21 HydrophobicContact CD1-CG 4.5Å; L5-V25 HydrophobicContact CB-CG1 4.45Å; L5-V25 HydrophobicContact CB-CG2 3.52Å; L5-V25 HydrophobicContact CD1-CG2 3.81Å; L5-V25 HydrophobicContact CG-CG2 4.33Å
6T97.5Very high96.5Very high0 Ų052 Ų520%025%0.253CS..Hα-helixtrans-70.3-36.9175.2-540000110.7L2 D4 L9 I10 T28 A29 M32 F50L2-T6 WeakPolarHBondContact O-CB 3.4Å; L2-T6 PolarHBondContact O-N 2.76Å; L2-T6 PolarHBondContact O-OG1 2.78Å; D4-T6 VanDerWaalsContact C-N 3.29Å; D4-T6 PolarHBondContact O-N 2.84Å; T6-L9 PolarHBondContact O-N 3.38Å; T6-I10 HydrophobicContact CG2-CD1 4.35Å; T6-I10 WeakPolarHBondContact O-CG1 3.35Å; T6-I10 PolarHBondContact O-N 3.14Å; T6-I10 VanDerWaalsContact O-N 3.09Å; T6-T28 PolarHBondContact OG1-OG1 2.83Å; T6-A29 HydrophobicContact CG2-CB 4.18Å; T6-M32 HydrophobicContact CG2-CG 4.2Å; T6-F50 HydrophobicContact CG2-CE1 3.98Å
7T97.7Very high96.5Very high0 Ų049.4 Ų49.40%024%0.24CC..Hα-helixtrans-68.4-43.8175.6-520000110.1R3 D4 L5 L9 I10 I11 V51 R52 E54 A70R3-T7 WeakPolarHBondContact O-CB 3.47Å; R3-T7 PolarHBondContact O-N 3.15Å; R3-T7 PolarHBondContact O-OG1 2.94Å; D4-T7 CarbonylContact O-C 3.58Å; D4-T7 WeakPolarHBondContact O-CA 3.27Å; D4-T7 WeakPolarHBondContact O-CB 3.36Å; D4-T7 PolarHBondContact O-N 3.28Å; L5-T7 VanDerWaalsContact C-N 3.35Å; T7-L9 VanDerWaalsContact C-N 3.27Å; T7-L9 PolarHBondContact O-N 3.08Å; T7-I10 WeakPolarHBondContact O-CB 3.5Å; T7-I10 PolarHBondContact O-N 3.43Å; T7-I11 HydrophobicContact CG2-CD1 3.91Å; T7-I11 HydrophobicContact CG2-CG1 4.42Å; T7-I11 WeakPolarHBondContact O-CG1 3.3Å; T7-I11 PolarHBondContact O-N 3.09Å; T7-V51 HydrophobicContact CG2-CG1 4.15Å; T7-R52 HydrophobicContact CG2-CB 4.07Å; T7-R52 PolarHBondContact OG1-N 3.41Å; T7-E54 HydrophobicContact CG2-CB 4.19Å; T7-A70 HydrophobicContact CG2-CB 3.68Å
8D97.5Very high96.5Very high56 Ų5647.9 Ų47.930%0.29924%0.235SC..Hα-helixtrans-56.9-40.5174.1-65-29.6000112.1D4 I11 N12 I15D4-D8 PolarHBondContact O-N 3.16Å; D8-I11 PolarHBondContact O-N 2.94Å; D8-N12 WeakPolarHBondContact O-CB 3.49Å; D8-N12 PolarHBondContact O-N 3.28Å; D8-N12 PolarHBondContact O-ND2 3.3Å; D8-I15 HydrophobicContact CB-CG2 3.97Å
9L97.7Very high96.6Very high1 Ų147.6 Ų47.61%0.00523%0.233CC..Hα-helixtrans-66.9-38.2175.9178.264.9000112.2L5 T6 T7 E13 I15 V25 A29 T90 L108 L110L5-L9 WeakPolarHBondContact O-CB 3.45Å; L5-L9 PolarHBondContact O-N 3.12Å; T6-L9 PolarHBondContact O-N 3.38Å; T7-L9 VanDerWaalsContact C-N 3.27Å; T7-L9 PolarHBondContact O-N 3.08Å; L9-E13 WeakPolarHBondContact O-CA 3.48Å; L9-E13 PolarHBondContact O-N 2.96Å; L9-I15 HydrophobicContact CB-CD1 4.27Å; L9-I15 HydrophobicContact CB-CG2 4.38Å; L9-I15 HydrophobicContact CD1-CG1 4.38Å; L9-V25 HydrophobicContact CD2-CG1 4.15Å; L9-A29 HydrophobicContact CD2-CB 3.64Å; L9-T90 HydrophobicContact CD2-CG2 4.46Å; L9-L108 HydrophobicContact CD1-CG 4.26Å; L9-L108 HydrophobicContact CD2-CD2 3.78Å; L9-L108 HydrophobicContact CD2-CG 4.1Å; L9-L110 HydrophobicContact CD1-CD2 4.27Å; L9-L110 HydrophobicContact CD1-CG 4.13Å; L9-L110 HydrophobicContact CD2-CD2 4.06Å; L9-L110 HydrophobicContact CG-CD2 4.07Å; L9-L110 HydrophobicContact CG-CG 4.26Å
10I97.1Very high96.6Very high5 Ų548.8 Ų48.83%0.02625%0.251CS..Hα-helixtrans-65.8-41.2175.8-73.1166.2000110.6T6 T7 V51 A70 K73 L74 I78T6-I10 HydrophobicContact CG2-CD1 4.35Å; T6-I10 WeakPolarHBondContact O-CG1 3.35Å; T6-I10 PolarHBondContact O-N 3.14Å; T6-I10 VanDerWaalsContact O-N 3.09Å; T7-I10 WeakPolarHBondContact O-CB 3.5Å; T7-I10 PolarHBondContact O-N 3.43Å; I10-V51 HydrophobicContact CD1-CG1 4.49Å; I10-V51 HydrophobicContact CD1-CG2 4.02Å; I10-A70 HydrophobicContact CG2-CB 4.14Å; I10-A70 VanDerWaalsContact CG2-O 3.31Å; I10-A70 WeakPolarHBondContact CG2-O 3.44Å; I10-K73 WeakPolarHBondContact O-CD 3.42Å; I10-K73 VanDerWaalsContact O-CE 3.27Å; I10-K73 WeakPolarHBondContact O-CE 3.48Å; I10-L74 HydrophobicContact CD1-CD1 4.31Å; I10-L74 HydrophobicContact CD1-CD2 4.37Å; I10-L74 HydrophobicContact CG2-CB 4.33Å; I10-I78 HydrophobicContact CB-CD1 4.21Å; I10-I78 HydrophobicContact CG1-CD1 4.35Å; I10-I78 HydrophobicContact CG2-CD1 3.78Å
11I97Very high96.6Very high28 Ų2851.8 Ų51.814%0.14426%0.259CS..Hα-helixtrans-69.9-55.1-179.1-66.3170000110.5T7 D8 E54 A56 A70 K73T7-I11 HydrophobicContact CG2-CD1 3.91Å; T7-I11 HydrophobicContact CG2-CG1 4.42Å; T7-I11 WeakPolarHBondContact O-CG1 3.3Å; T7-I11 PolarHBondContact O-N 3.09Å; D8-I11 PolarHBondContact O-N 2.94Å; I11-E54 HydrophobicContact CD1-CB 3.94Å; I11-A56 HydrophobicContact CG1-CB 3.97Å; I11-A70 HydrophobicContact CD1-CB 4.27Å; I11-A70 HydrophobicContact CG1-CB 3.94Å; I11-K73 PolarHBondContact O-NZ 3.3Å
12N96.7Very high97.1Very high100 Ų10046.3 Ų46.354%0.53523%0.232SC..Hα-helixtrans-93.4-11.2-168.6-59.7-69.8000113.9D8 R14D8-N12 WeakPolarHBondContact O-CB 3.49Å; D8-N12 PolarHBondContact O-N 3.28Å; D8-N12 PolarHBondContact O-ND2 3.3Å; N12-R14 PolarHBondContact O-N 3.21Å
13E96.8Very high97.2Very high56 Ų5649 Ų4926%0.26224%0.241SC..SBendtrans60.5-9.4-174.5-52.2-171.9-166.300115.3L9 K73 R81 E109 L110L9-E13 WeakPolarHBondContact O-CA 3.48Å; L9-E13 PolarHBondContact O-N 2.96Å; E13-K73 WeakPolarHBondContact OE1-CE 3.4Å; E13-K73 IonicContact OE1-NZ 3.26Å; E13-K73 PolarHBondContact OE1-NZ 2.9Å; E13-K73 VanDerWaalsContact OE1-NZ 3.13Å; E13-R81 IonicContact OE1-CZ 3.64Å; E13-R81 IonicContact OE1-NH1 3.65Å; E13-R81 IonicContact OE1-NH2 3.85Å; E13-R81 PolarHBondContact OE1-NH2 3.46Å; E13-R81 IonicContact OE2-CZ 3.53Å; E13-R81 IonicContact OE2-NH1 2.76Å; E13-R81 PolarHBondContact OE2-NH1 3.08Å; E13-R81 IonicContact OE2-NH2 2.76Å; E13-R81 PolarHBondContact OE2-NH2 2.86Å; E13-E109 CarbonylContact O-C 3.49Å; E13-E109 VanDerWaalsContact O-CA 3.29Å; E13-E109 WeakPolarHBondContact O-CA 3.43Å; E13-L110 HydrophobicContact CB-CB 4.49Å; E13-L110 HydrophobicContact CB-CD1 4.3Å; E13-L110 HydrophobicContact CG-CD1 4.24Å; E13-L110 PolarHBondContact O-N 3.12Å
14R97.4Very high97.3Very high146 Ų14650.1 Ų50.155%0.55125%0.25SS*.EExtended strand (participates in β ladder)trans-149.9125.7-178.1-174.3174.7-174.5-113-1.1109.7N12 V107 L108 E109N12-R14 PolarHBondContact O-N 3.21Å; R14-V107 HydrophobicContact CG-CG1 3.67Å; R14-V107 VanDerWaalsContact NE-CG1 3.31Å; R14-L108 CarbonylContact C-O 3.55Å; R14-L108 WeakPolarHBondContact CA-O 3.46Å; R14-E109 HydrophobicContact CB-CB 4.39Å; R14-E109 HydrophobicContact CG-CB 4.24Å
15I97.8Very high97.3Very high17 Ų1747.9 Ų47.99%0.08724%0.238CC..EExtended strand (participates in β ladder)trans-130.4151.2176.264.6171.2000111.2L5 D8 L9 T17 V25 V107 L108L5-I15 HydrophobicContact CB-CD1 4.45Å; L5-I15 HydrophobicContact CD2-CD1 4.43Å; D8-I15 HydrophobicContact CB-CG2 3.97Å; L9-I15 HydrophobicContact CB-CD1 4.27Å; L9-I15 HydrophobicContact CB-CG2 4.38Å; L9-I15 HydrophobicContact CD1-CG1 4.38Å; I15-T17 HydrophobicContact CD1-CG2 4.42Å; I15-V25 HydrophobicContact CD1-CG1 4.42Å; I15-V107 WeakPolarHBondContact O-CA 3.42Å; I15-L108 HydrophobicContact CD1-CD2 4.2Å; I15-L108 HydrophobicContact CG1-CB 3.95Å; I15-L108 HydrophobicContact CG1-CD2 4.38Å; I15-L108 PolarHBondContact N-O 3.16Å; I15-L108 PolarHBondContact O-N 3.05Å
16V97.4Very high97.3Very high93 Ų9350.7 Ų50.756%0.56425%0.247SC*.EExtended strand (participates in β ladder)trans-108.6117.3175-178.20000108.6M105 V106 V107V16-M105 HydrophobicContact CG1-CE 3.64Å; V16-V106 WeakPolarHBondContact CA-O 3.19Å; V16-V107 HydrophobicContact CG2-CG2 4.12Å
17T97Very high97.2Very high7 Ų753 Ų534%0.04326%0.264CS..EExtended strand (participates in β ladder)trans-148.7-179.9-175.7-165.30000111.3I15 R21 A22 M105 V106I15-T17 HydrophobicContact CD1-CG2 4.42Å; T17-R21 HydrophobicContact CG2-CB 4.32Å; T17-A22 HydrophobicContact CG2-CB 3.75Å; T17-M105 WeakPolarHBondContact O-CA 3.25Å; T17-M105 WeakPolarHBondContact O-CE 3.3Å; T17-V106 HydrophobicContact CG2-CG2 4.45Å; T17-V106 PolarHBondContact N-O 3.43Å; T17-V106 PolarHBondContact O-N 3.49Å; T17-V106 VanDerWaalsContact O-O 3.1Å
18T97.2Very high97.2Very high23 Ų2354 Ų5414%0.14127%0.27CS..EExtended strand (participates in β ladder)trans-76.9151.3176.560.80000111.1A20 R21 A22 A103 P104 M105T18-A20 VanDerWaalsContact C-N 3.27Å; T18-A20 PolarHBondContact O-N 2.99Å; T18-R21 PolarHBondContact O-N 3.44Å; T18-R21 VanDerWaalsContact O-N 3.09Å; T18-R21 WeakPolarHBondContact OG1-CG 3.43Å; T18-A22 PolarHBondContact O-N 3.21Å; T18-A103 HydrophobicContact CG2-CB 4.04Å; T18-P104 CarbonylContact C-O 3.58Å; T18-P104 WeakPolarHBondContact CA-O 3.35Å; T18-M105 HydrophobicContact CG2-SD 3.92Å
19E97.1Very high97.2Very high43 Ų4351.5 Ų51.520%0.20126%0.257CS..Hα-helixtrans-53.4-43.3-177-174.6178.8165.800112.8A22 K23 P104 V106E19-A22 PolarHBondContact O-N 2.85Å; E19-K23 WeakPolarHBondContact O-CG 3.46Å; E19-K23 PolarHBondContact O-N 2.87Å; E19-K23 VanDerWaalsContact O-N 3.11Å; E19-K23 VanDerWaalsContact OE1-CE 3.23Å; E19-K23 WeakPolarHBondContact OE1-CE 3.38Å; E19-K23 IonicContact OE1-NZ 3.06Å; E19-K23 PolarHBondContact OE1-NZ 3.05Å; E19-P104 HydrophobicContact CB-CB 4.33Å; E19-P104 HydrophobicContact CB-CG 4.26Å; E19-P104 PolarHBondContact N-O 3.33Å; E19-V106 HydrophobicContact CB-CG1 3.84Å; E19-V106 HydrophobicContact CG-CG1 4.12Å
20A96.9Very high97.1Very high71 Ų7153.8 Ų53.859%0.58727%0.267SS*.Hα-helixtrans-62.4-45.7178.900000112.2T18 A22 K23 E24T18-A20 VanDerWaalsContact C-N 3.27Å; T18-A20 PolarHBondContact O-N 2.99Å; A20-A22 PolarHBondContact O-N 3.46Å; A20-K23 PolarHBondContact O-N 3.05Å; A20-E24 PolarHBondContact O-N 2.75Å
21R97.1Very high97.1Very high112 Ų11259.7 Ų59.742%0.42329%0.292SS..Hα-helixtrans-66.3-39.2178.7-69.5178.7-177.6-178.61.9111.3M1 L5 T17 T18 K23 E24 V25M1-R21 HydrophobicContact CE-CG 4.19Å; L5-R21 HydrophobicContact CD1-CB 4.11Å; L5-R21 HydrophobicContact CD1-CG 4.5Å; T17-R21 HydrophobicContact CG2-CB 4.32Å; T18-R21 PolarHBondContact O-N 3.44Å; T18-R21 VanDerWaalsContact O-N 3.09Å; T18-R21 WeakPolarHBondContact OG1-CG 3.43Å; R21-K23 VanDerWaalsContact C-N 3.34Å; R21-K23 PolarHBondContact O-N 3.38Å; R21-E24 PolarHBondContact O-N 3Å; R21-V25 WeakPolarHBondContact O-CB 3.4Å; R21-V25 WeakPolarHBondContact O-CG2 3.48Å; R21-V25 PolarHBondContact O-N 3.12Å
22A97.7Very high97.1Very high0 Ų059.2 Ų59.20%029%0.29CS..Hα-helixtrans-62.9-38.3177.900000112.8T17 T18 E19 A20 V25 R26 I92 V106 L108T17-A22 HydrophobicContact CG2-CB 3.75Å; T18-A22 PolarHBondContact O-N 3.21Å; E19-A22 PolarHBondContact O-N 2.85Å; A20-A22 PolarHBondContact O-N 3.46Å; A22-V25 PolarHBondContact O-N 3.43Å; A22-R26 WeakPolarHBondContact O-CB 3.48Å; A22-R26 PolarHBondContact O-N 3.26Å; A22-I92 HydrophobicContact CB-CD1 3.84Å; A22-I92 HydrophobicContact CB-CG1 4.22Å; A22-V106 HydrophobicContact CB-CG2 3.3Å; A22-L108 HydrophobicContact CB-CB 4.37Å
23K97Very high97.1Very high111 Ų11154.6 Ų54.648%0.48327%0.265SS..Hα-helixtrans-62.9-41.6176.1-73.4174.7-176.4169.10112E19 A20 R21 I92E19-K23 WeakPolarHBondContact O-CG 3.46Å; E19-K23 PolarHBondContact O-N 2.87Å; E19-K23 VanDerWaalsContact O-N 3.11Å; E19-K23 VanDerWaalsContact OE1-CE 3.23Å; E19-K23 WeakPolarHBondContact OE1-CE 3.38Å; E19-K23 IonicContact OE1-NZ 3.06Å; E19-K23 PolarHBondContact OE1-NZ 3.05Å; A20-K23 PolarHBondContact O-N 3.05Å; R21-K23 VanDerWaalsContact C-N 3.34Å; R21-K23 PolarHBondContact O-N 3.38Å; K23-I92 HydrophobicContact CG-CD1 4.31Å
24E97.4Very high97.1Very high110 Ų11054.6 Ų54.651%0.51427%0.269SS..Hα-helixtrans-67.8-45.4175.3-65.5-56.9136.200111.9L2 A20 R21 R26 S27 T28L2-E24 HydrophobicContact CD2-CB 3.62Å; A20-E24 PolarHBondContact O-N 2.75Å; R21-E24 PolarHBondContact O-N 3Å; E24-R26 VanDerWaalsContact C-N 3.3Å; E24-R26 PolarHBondContact O-N 3.42Å; E24-S27 WeakPolarHBondContact O-CB 3.41Å; E24-S27 PolarHBondContact O-N 2.91Å; E24-T28 PolarHBondContact O-N 3.32Å
25V97.5Very high97.1Very high0 Ų048.5 Ų48.50%025%0.247CC..Hα-helixtrans-64.8-34.2179.9175.60000111.6L2 L5 L9 I15 R21 A22 S27 T28 A29 L108L2-V25 HydrophobicContact CD2-CG2 4.27Å; L5-V25 HydrophobicContact CB-CG1 4.45Å; L5-V25 HydrophobicContact CB-CG2 3.52Å; L5-V25 HydrophobicContact CD1-CG2 3.81Å; L5-V25 HydrophobicContact CG-CG2 4.33Å; L9-V25 HydrophobicContact CD2-CG1 4.15Å; I15-V25 HydrophobicContact CD1-CG1 4.42Å; R21-V25 WeakPolarHBondContact O-CB 3.4Å; R21-V25 WeakPolarHBondContact O-CG2 3.48Å; R21-V25 PolarHBondContact O-N 3.12Å; A22-V25 PolarHBondContact O-N 3.43Å; V25-S27 VanDerWaalsContact C-N 3.35Å; V25-S27 PolarHBondContact O-N 3.36Å; V25-T28 WeakPolarHBondContact CA-OG1 3.34Å; V25-T28 PolarHBondContact O-N 2.9Å; V25-T28 PolarHBondContact O-OG1 3.02Å; V25-A29 WeakPolarHBondContact O-CB 3.26Å; V25-A29 PolarHBondContact O-N 3.36Å; V25-L108 HydrophobicContact CB-CD2 3.88Å; V25-L108 HydrophobicContact CG1-CD2 3.57Å
26R97Very high97.1Very high85 Ų8547.9 Ų47.932%0.32125%0.245SC..Hα-helixtrans-53.6-51171.9166.4-178.7-63.5-179.4-3.1111.4A22 E24 T28 A29 E30 T90 I92A22-R26 WeakPolarHBondContact O-CB 3.48Å; A22-R26 PolarHBondContact O-N 3.26Å; E24-R26 VanDerWaalsContact C-N 3.3Å; E24-R26 PolarHBondContact O-N 3.42Å; R26-T28 VanDerWaalsContact C-N 3.33Å; R26-T28 PolarHBondContact O-N 3.48Å; R26-A29 PolarHBondContact O-N 3.42Å; R26-E30 WeakPolarHBondContact O-CB 3.39Å; R26-E30 VanDerWaalsContact O-CG 3.32Å; R26-E30 WeakPolarHBondContact O-CG 3.43Å; R26-E30 PolarHBondContact O-N 3.4Å; R26-T90 WeakPolarHBondContact CG-OG1 3.47Å; R26-T90 PolarHBondContact NE-OG1 2.89Å; R26-I92 VanDerWaalsContact NH2-CD1 3.3Å
27S96.4Very high97Very high50 Ų5047 Ų4735%0.3523%0.234SC..Hα-helixtrans-61.4-40.9-178.5175.10000112.2E24 V25 K31E24-S27 WeakPolarHBondContact O-CB 3.41Å; E24-S27 PolarHBondContact O-N 2.91Å; V25-S27 VanDerWaalsContact C-N 3.35Å; V25-S27 PolarHBondContact O-N 3.36Å; S27-K31 WeakPolarHBondContact O-CD 3.46Å; S27-K31 VanDerWaalsContact O-CG 3.3Å; S27-K31 WeakPolarHBondContact O-CG 2.81Å; S27-K31 PolarHBondContact O-N 3.17Å
28T97Very high96.9Very high21 Ų2153.8 Ų53.813%0.12926%0.259CS..Hα-helixtrans-74.3-42.4179.152.80000112.1T6 E24 V25 R26 K31 M32 F50T6-T28 PolarHBondContact OG1-OG1 2.83Å; E24-T28 PolarHBondContact O-N 3.32Å; V25-T28 WeakPolarHBondContact CA-OG1 3.34Å; V25-T28 PolarHBondContact O-N 2.9Å; V25-T28 PolarHBondContact O-OG1 3.02Å; R26-T28 VanDerWaalsContact C-N 3.33Å; R26-T28 PolarHBondContact O-N 3.48Å; T28-K31 PolarHBondContact O-N 3.06Å; T28-M32 WeakPolarHBondContact O-CG 3.42Å; T28-M32 PolarHBondContact O-N 3.36Å; T28-F50 HydrophobicContact CG2-CE1 4.43Å; T28-F50 HydrophobicContact CG2-CE2 4.42Å; T28-F50 HydrophobicContact CG2-CZ 3.78Å
29A97.1Very high96.7Very high3 Ų354.4 Ų54.43%0.02527%0.27CS..Hα-helixtrans-62.6-45.3179.100000112.2T6 L9 V25 R26 K31 M32 I33 T90T6-A29 HydrophobicContact CG2-CB 4.18Å; L9-A29 HydrophobicContact CD2-CB 3.64Å; V25-A29 WeakPolarHBondContact O-CB 3.26Å; V25-A29 PolarHBondContact O-N 3.36Å; R26-A29 PolarHBondContact O-N 3.42Å; A29-K31 VanDerWaalsContact C-N 3.29Å; A29-K31 PolarHBondContact O-N 2.76Å; A29-M32 PolarHBondContact O-N 3.33Å; A29-M32 VanDerWaalsContact O-N 3.1Å; A29-I33 WeakPolarHBondContact O-CG1 3.45Å; A29-I33 PolarHBondContact O-N 3.49Å; A29-T90 HydrophobicContact CB-CG2 4.36Å
30E96.7Very high96.7Very high49 Ų4955.8 Ų55.823%0.22928%0.278CS..Hα-helixtrans-64.2-34.8179.2-70-179.6171.800112.4R26 T34 Y89 T90R26-E30 WeakPolarHBondContact O-CB 3.39Å; R26-E30 VanDerWaalsContact O-CG 3.32Å; R26-E30 WeakPolarHBondContact O-CG 3.43Å; R26-E30 PolarHBondContact O-N 3.4Å; E30-T34 WeakPolarHBondContact O-CB 3.5Å; E30-T34 PolarHBondContact O-N 3.16Å; E30-T34 PolarHBondContact O-OG1 2.69Å; E30-Y89 HydrophobicContact CB-CD2 4.1Å; E30-Y89 HydrophobicContact CG-CD2 3.97Å; E30-T90 HydrophobicContact CG-CG2 4.16Å; E30-T90 PolarHBondContact OE1-OG1 2.9Å
31K96.5Very high96.7Very high128 Ų12857.7 Ų57.756%0.55728%0.278SS*.Hα-helixtrans-65.2-42.8171.8-72.8171.7-175.4171.70111.7S27 T28 A29 T34 L35S27-K31 WeakPolarHBondContact O-CD 3.46Å; S27-K31 VanDerWaalsContact O-CG 3.3Å; S27-K31 WeakPolarHBondContact O-CG 2.81Å; S27-K31 PolarHBondContact O-N 3.17Å; T28-K31 PolarHBondContact O-N 3.06Å; A29-K31 VanDerWaalsContact C-N 3.29Å; A29-K31 PolarHBondContact O-N 2.76Å; K31-T34 WeakPolarHBondContact O-CB 3.45Å; K31-T34 PolarHBondContact O-N 2.88Å; K31-L35 WeakPolarHBondContact O-CG 3.16Å; K31-L35 PolarHBondContact O-N 3.43Å
32M97Very high96.7Very high18 Ų1857.9 Ų57.99%0.08928%0.284CS..Hα-helixtrans-64.4-42.7178.1-66.6-5497.900111.7T6 T28 A29 T34 L35 G36 A47 F50 V51 L74T6-M32 HydrophobicContact CG2-CG 4.2Å; T28-M32 WeakPolarHBondContact O-CG 3.42Å; T28-M32 PolarHBondContact O-N 3.36Å; A29-M32 PolarHBondContact O-N 3.33Å; A29-M32 VanDerWaalsContact O-N 3.1Å; M32-T34 VanDerWaalsContact C-N 3.29Å; M32-T34 PolarHBondContact O-N 3.25Å; M32-L35 HydrophobicContact CE-CD1 3.74Å; M32-L35 WeakPolarHBondContact O-CB 3.3Å; M32-L35 PolarHBondContact O-N 3.44Å; M32-L35 HydrophobicContact SD-CD1 4.27Å; M32-G36 PolarHBondContact O-N 3.14Å; M32-A47 HydrophobicContact SD-CB 4.36Å; M32-F50 HydrophobicContact CE-CB 4.41Å; M32-F50 HydrophobicContact CE-CD1 4.37Å; M32-F50 HydrophobicContact CE-CG 4.46Å; M32-F50 HydrophobicContact CG-CD1 4.09Å; M32-F50 HydrophobicContact SD-CB 3.99Å; M32-F50 HydrophobicContact SD-CD1 3.85Å; M32-F50 HydrophobicContact SD-CG 4.22Å; M32-V51 HydrophobicContact CG-CG2 4.36Å; M32-V51 HydrophobicContact SD-CG2 4.18Å; M32-L74 HydrophobicContact CB-CD2 4.08Å
33I96.9Very high96.7Very high3 Ų357.9 Ų57.92%0.01528%0.284CS..Hα-helixtrans-61.6-40.5174.7-66.3168.5000110.7A29 L35 G36 K37 L74 I78 Y82 Y89 L110A29-I33 WeakPolarHBondContact O-CG1 3.45Å; A29-I33 PolarHBondContact O-N 3.49Å; I33-L35 VanDerWaalsContact C-N 3.34Å; I33-L35 PolarHBondContact O-N 3.35Å; I33-G36 WeakPolarHBondContact O-CA 3.34Å; I33-G36 PolarHBondContact O-N 3.44Å; I33-G36 VanDerWaalsContact O-N 3.12Å; I33-K37 WeakPolarHBondContact O-CG 3.25Å; I33-K37 PolarHBondContact O-N 3.45Å; I33-L74 HydrophobicContact CG1-CD1 4.14Å; I33-I78 HydrophobicContact CD1-CG2 4.21Å; I33-I78 HydrophobicContact CG1-CG2 3.99Å; I33-Y82 HydrophobicContact CD1-CD2 4.33Å; I33-Y82 HydrophobicContact CD1-CE2 4.17Å; I33-Y82 HydrophobicContact CG2-CD2 3.71Å; I33-Y82 HydrophobicContact CG2-CG 4.41Å; I33-Y89 HydrophobicContact CB-CD2 3.84Å; I33-Y89 HydrophobicContact CB-CE2 4.13Å; I33-Y89 HydrophobicContact CB-CG 4.42Å; I33-Y89 HydrophobicContact CD1-CD2 4.01Å; I33-Y89 HydrophobicContact CD1-CG 4.02Å; I33-Y89 HydrophobicContact CG2-CD1 4.24Å; I33-Y89 HydrophobicContact CG2-CD2 3.61Å; I33-Y89 HydrophobicContact CG2-CE1 4.36Å; I33-Y89 HydrophobicContact CG2-CE2 3.74Å; I33-Y89 HydrophobicContact CG2-CG 3.88Å; I33-L110 HydrophobicContact CD1-CD2 3.94Å
34T96.9Very high96.6Very high56 Ų5656.9 Ų56.934%0.34428%0.277SS..Hα-helixtrans-63.4-38.6176.6-57.20000112.3E30 K31 M32 K37 R38E30-T34 WeakPolarHBondContact O-CB 3.5Å; E30-T34 PolarHBondContact O-N 3.16Å; E30-T34 PolarHBondContact O-OG1 2.69Å; K31-T34 WeakPolarHBondContact O-CB 3.45Å; K31-T34 PolarHBondContact O-N 2.88Å; M32-T34 VanDerWaalsContact C-N 3.29Å; M32-T34 PolarHBondContact O-N 3.25Å; T34-K37 PolarHBondContact O-N 2.89Å; T34-R38 PolarHBondContact O-N 3.34Å
35L97.2Very high96.6Very high18 Ų1859.8 Ų59.89%0.09428%0.283CS..Hα-helixtrans-65-42.4171-67.2177.3000111.3K31 M32 I33 K37 R38 A43 Q46 A47K31-L35 WeakPolarHBondContact O-CG 3.16Å; K31-L35 PolarHBondContact O-N 3.43Å; M32-L35 HydrophobicContact CE-CD1 3.74Å; M32-L35 WeakPolarHBondContact O-CB 3.3Å; M32-L35 PolarHBondContact O-N 3.44Å; M32-L35 HydrophobicContact SD-CD1 4.27Å; I33-L35 VanDerWaalsContact C-N 3.34Å; I33-L35 PolarHBondContact O-N 3.35Å; L35-K37 VanDerWaalsContact C-N 3.3Å; L35-K37 PolarHBondContact O-N 3.34Å; L35-R38 WeakPolarHBondContact O-CB 3.15Å; L35-R38 PolarHBondContact O-N 2.93Å; L35-R38 VanDerWaalsContact O-N 3.09Å; L35-A43 HydrophobicContact CB-CB 4.28Å; L35-A43 HydrophobicContact CD2-CB 4.28Å; L35-A43 WeakPolarHBondContact O-CB 3.31Å; L35-Q46 HydrophobicContact CD1-CB 3.8Å; L35-Q46 HydrophobicContact CD2-CB 4.4Å; L35-A47 HydrophobicContact CD1-CB 4.28Å
36G97Very high96.6Very high4 Ų463.2 Ų63.24%0.04130%0.299CS..Hα-helixtrans-51.3-48.1173.300000112.4M32 I33 R38 G39M32-G36 PolarHBondContact O-N 3.14Å; I33-G36 WeakPolarHBondContact O-CA 3.34Å; I33-G36 PolarHBondContact O-N 3.44Å; I33-G36 VanDerWaalsContact O-N 3.12Å; G36-R38 VanDerWaalsContact C-N 3.27Å; G36-R38 PolarHBondContact O-N 3.1Å; G36-G39 PolarHBondContact O-N 3.05Å; G36-G39 VanDerWaalsContact O-N 3.15Å
37K96.2Very high96.6Very high75 Ų7559.1 Ų59.133%0.32628%0.284SS..Hα-helixtrans-62.4-27.5178.7-72.1-178.762.3160.20114.2I33 T34 L35 A79 Y82 A83 R85I33-K37 WeakPolarHBondContact O-CG 3.25Å; I33-K37 PolarHBondContact O-N 3.45Å; T34-K37 PolarHBondContact O-N 2.89Å; L35-K37 VanDerWaalsContact C-N 3.3Å; L35-K37 PolarHBondContact O-N 3.34Å; K37-A79 HydrophobicContact CG-CB 4.43Å; K37-Y82 WeakPolarHBondContact CD-O 3.34Å; K37-Y82 VanDerWaalsContact CE-O 3.27Å; K37-Y82 WeakPolarHBondContact CE-O 3.32Å; K37-Y82 PolarHBondContact NZ-O 2.99Å; K37-A83 WeakPolarHBondContact CE-O 3.46Å; K37-A83 PolarHBondContact NZ-O 3.42Å; K37-R85 PolarHBondContact NZ-O 2.81Å
38R95.4Very high96.7Very high150 Ų15059.1 Ų59.157%0.56629%0.286SS*.Hα-helixtrans-70.8-34176.4-67.5179.3-175.6177.5-0.5112T34 L35 G36 D40 A43T34-R38 PolarHBondContact O-N 3.34Å; L35-R38 WeakPolarHBondContact O-CB 3.15Å; L35-R38 PolarHBondContact O-N 2.93Å; L35-R38 VanDerWaalsContact O-N 3.09Å; G36-R38 VanDerWaalsContact C-N 3.27Å; G36-R38 PolarHBondContact O-N 3.1Å; R38-D40 PolarHBondContact O-N 2.85Å; R38-A43 HydrophobicContact CB-CB 3.95Å
39G93.3Very high96.6Very high36 Ų3662 Ų6237%0.37131%0.308SS..  trans69.7-12.3174.200000116.8G36G36-G39 PolarHBondContact O-N 3.05Å; G36-G39 VanDerWaalsContact O-N 3.15Å
40D95.8Very high96.6Very high72 Ų7264.1 Ų64.139%0.38532%0.316SS..SBendtrans-72.5164.9-177.172.250.6000113.7R38 H42 A43 R44R38-D40 PolarHBondContact O-N 2.85Å; D40-H42 PolarHBondContact O-N 3.23Å; D40-H42 VanDerWaalsContact OD1-CA 3.3Å; D40-H42 WeakPolarHBondContact OD1-CA 3.25Å; D40-H42 VanDerWaalsContact OD1-CB 3.25Å; D40-H42 WeakPolarHBondContact OD1-CB 3.41Å; D40-H42 PolarHBondContact OD1-N 3.45Å; D40-A43 PolarHBondContact O-N 3.23Å; D40-A43 WeakPolarHBondContact OD1-CB 3.4Å; D40-A43 PolarHBondContact OD1-N 2.98Å; D40-R44 WeakPolarHBondContact O-CG 3.38Å; D40-R44 PolarHBondContact O-N 3.19Å
41L96.8Very high96.6Very high111 Ų11162.1 Ų62.158%0.58131%0.307SS*.Hα-helixtrans-62.8-32-179.9-179.461.2000112.5R45L41-R45 WeakPolarHBondContact O-CG 3.48Å; L41-R45 PolarHBondContact O-N 3.05Å
42H97.6Very high96.6Very high116 Ų11660.8 Ų60.854%0.53730%0.299SS..Hα-helixtrans-69.6-44.5-179.9-176.472.6000111D40 R44 R45 Q46D40-H42 PolarHBondContact O-N 3.23Å; D40-H42 VanDerWaalsContact OD1-CA 3.3Å; D40-H42 WeakPolarHBondContact OD1-CA 3.25Å; D40-H42 VanDerWaalsContact OD1-CB 3.25Å; D40-H42 WeakPolarHBondContact OD1-CB 3.41Å; D40-H42 PolarHBondContact OD1-N 3.45Å; H42-R44 VanDerWaalsContact C-N 3.34Å; H42-R44 PolarHBondContact O-N 3.07Å; H42-R45 PolarHBondContact O-N 3.06Å; H42-Q46 PolarHBondContact NE2-NE2 2.78Å; H42-Q46 WeakPolarHBondContact O-CG 3.47Å; H42-Q46 PolarHBondContact O-N 2.91Å
43A97.3Very high96.4Very high0 Ų067.2 Ų67.20%033%0.334CS..Hα-helixtrans-62.2-40.9174.700000111.3L35 R38 D40 Q46 A47L35-A43 HydrophobicContact CB-CB 4.28Å; L35-A43 HydrophobicContact CD2-CB 4.28Å; L35-A43 WeakPolarHBondContact O-CB 3.31Å; R38-A43 HydrophobicContact CB-CB 3.95Å; D40-A43 PolarHBondContact O-N 3.23Å; D40-A43 WeakPolarHBondContact OD1-CB 3.4Å; D40-A43 PolarHBondContact OD1-N 2.98Å; A43-Q46 PolarHBondContact O-N 2.76Å; A43-A47 WeakPolarHBondContact O-CB 3.4Å; A43-A47 PolarHBondContact O-N 2.94Å
44R96.3Very high96.3Very high90 Ų9070.3 Ų70.334%0.3435%0.348SS..Hα-helixtrans-60.5-43.8172.9-72.9179.1-174.3-91.23.8112.2D40 H42 A47 A48 F75D40-R44 WeakPolarHBondContact O-CG 3.38Å; D40-R44 PolarHBondContact O-N 3.19Å; H42-R44 VanDerWaalsContact C-N 3.34Å; H42-R44 PolarHBondContact O-N 3.07Å; R44-A47 PolarHBondContact O-N 3.13Å; R44-A48 VanDerWaalsContact O-CB 3.25Å; R44-A48 WeakPolarHBondContact O-CB 3.32Å; R44-A48 PolarHBondContact O-N 2.95Å; R44-F75 HydrophobicContact CB-CE2 4.41Å; R44-F75 HydrophobicContact CB-CZ 4.12Å; R44-F75 HydrophobicContact CG-CD1 3.95Å; R44-F75 HydrophobicContact CG-CD2 4.2Å; R44-F75 HydrophobicContact CG-CE1 3.5Å; R44-F75 VanDerWaalsContact CG-CE1 3.5Å; R44-F75 HydrophobicContact CG-CE2 3.81Å; R44-F75 HydrophobicContact CG-CG 4.29Å; R44-F75 HydrophobicContact CG-CZ 3.44Å; R44-F75 VanDerWaalsContact CG-CZ 3.44Å
45R97.2Very high96.2Very high170 Ų17071.7 Ų71.764%0.64236%0.356SS*.Hα-helixtrans-65.1-40.7176-72.6173.2178.1178.50112.4L41 H42 A48 S49L41-R45 WeakPolarHBondContact O-CG 3.48Å; L41-R45 PolarHBondContact O-N 3.05Å; H42-R45 PolarHBondContact O-N 3.06Å; R45-A48 PolarHBondContact O-N 2.91Å; R45-S49 PolarHBondContact O-N 2.88Å; R45-S49 VanDerWaalsContact O-N 3.14Å
46Q97.5Very high96Very high72 Ų7271.9 Ų71.934%0.33636%0.36SS..Hα-helixtrans-63.5-47175.7-74.2-178.4-23.500111.5L35 H42 A43 S49L35-Q46 HydrophobicContact CD1-CB 3.8Å; L35-Q46 HydrophobicContact CD2-CB 4.4Å; H42-Q46 PolarHBondContact NE2-NE2 2.78Å; H42-Q46 WeakPolarHBondContact O-CG 3.47Å; H42-Q46 PolarHBondContact O-N 2.91Å; A43-Q46 PolarHBondContact O-N 2.76Å; Q46-S49 WeakPolarHBondContact O-CB 3.49Å; Q46-S49 PolarHBondContact O-N 3.36Å; Q46-S49 PolarHBondContact O-OG 3.26Å
47A97.3Very high95.7Very high0 Ų075.3 Ų75.30%038%0.378CS..Hα-helixtrans-63.2-43.2176.800000111.9M32 L35 A43 R44 S49 F50 V51 L71 L74 F75M32-A47 HydrophobicContact SD-CB 4.36Å; L35-A47 HydrophobicContact CD1-CB 4.28Å; A43-A47 WeakPolarHBondContact O-CB 3.4Å; A43-A47 PolarHBondContact O-N 2.94Å; R44-A47 PolarHBondContact O-N 3.13Å; A47-S49 PolarHBondContact O-N 2.99Å; A47-F50 PolarHBondContact O-N 2.98Å; A47-V51 PolarHBondContact O-N 3.32Å; A47-L71 HydrophobicContact CB-CD1 3.73Å; A47-L74 HydrophobicContact CB-CD2 4.31Å; A47-F75 HydrophobicContact CB-CE2 3.84Å; A47-F75 HydrophobicContact CB-CZ 4.14Å
48A96.7Very high95.5Very high49 Ų4975.9 Ų75.941%0.40539%0.387SS..Hα-helixtrans-60.9-28176.800000113.3R44 R45 F50 L71R44-A48 VanDerWaalsContact O-CB 3.25Å; R44-A48 WeakPolarHBondContact O-CB 3.32Å; R44-A48 PolarHBondContact O-N 2.95Å; R45-A48 PolarHBondContact O-N 2.91Å; A48-F50 PolarHBondContact O-N 3.37Å; A48-L71 HydrophobicContact CB-CD2 3.86Å
49S96.4Very high95.2Very high83 Ų8373.9 Ų73.958%0.5838%0.38SS*.Hα-helixtrans-67.1-22.5175.2800000113.3R3 R45 Q46 A47R3-S49 PolarHBondContact NH1-O 3.02Å; R3-S49 PolarHBondContact NH2-O 3Å; R45-S49 PolarHBondContact O-N 2.88Å; R45-S49 VanDerWaalsContact O-N 3.14Å; Q46-S49 WeakPolarHBondContact O-CB 3.49Å; Q46-S49 PolarHBondContact O-N 3.36Å; Q46-S49 PolarHBondContact O-OG 3.26Å; A47-S49 PolarHBondContact O-N 2.99Å
50F96.8Very high95Very high47 Ų4779.5 Ų79.521%0.20640%0.396CS..Hα-helixtrans-113.4-43.7-174.1-171.6-92.9000113.5L2 R3 T6 T28 M32 A47 A48L2-F50 HydrophobicContact CB-CZ 4.47Å; R3-F50 HydrophobicContact CB-CZ 4.44Å; R3-F50 WeakPolarHBondContact CB-O 3.35Å; R3-F50 HydrophobicContact CG-CD1 4.4Å; R3-F50 HydrophobicContact CG-CD2 3.75Å; R3-F50 HydrophobicContact CG-CE1 4.23Å; R3-F50 HydrophobicContact CG-CE2 3.56Å; R3-F50 HydrophobicContact CG-CG 4.18Å; R3-F50 HydrophobicContact CG-CZ 3.81Å; R3-F50 WeakPolarHBondContact CG-O 3.49Å; R3-F50 PolarHBondContact NE-O 2.63Å; R3-F50 PolarHBondContact NH2-O 3.28Å; T6-F50 HydrophobicContact CG2-CE1 3.98Å; T28-F50 HydrophobicContact CG2-CE1 4.43Å; T28-F50 HydrophobicContact CG2-CE2 4.42Å; T28-F50 HydrophobicContact CG2-CZ 3.78Å; M32-F50 HydrophobicContact CE-CB 4.41Å; M32-F50 HydrophobicContact CE-CD1 4.37Å; M32-F50 HydrophobicContact CE-CG 4.46Å; M32-F50 HydrophobicContact CG-CD1 4.09Å; M32-F50 HydrophobicContact SD-CB 3.99Å; M32-F50 HydrophobicContact SD-CD1 3.85Å; M32-F50 HydrophobicContact SD-CG 4.22Å; A47-F50 PolarHBondContact O-N 2.98Å; A48-F50 PolarHBondContact O-N 3.37Å
51V96.3Very high94.5Very high6 Ų679.9 Ų79.94%0.03640%0.396CS..SBendtrans-69141.6178-1790000109.7T7 I10 M32 A47 A70 L74T7-V51 HydrophobicContact CG2-CG1 4.15Å; I10-V51 HydrophobicContact CD1-CG1 4.49Å; I10-V51 HydrophobicContact CD1-CG2 4.02Å; M32-V51 HydrophobicContact CG-CG2 4.36Å; M32-V51 HydrophobicContact SD-CG2 4.18Å; A47-V51 PolarHBondContact O-N 3.32Å; V51-A70 HydrophobicContact CG1-CB 3.96Å; V51-L74 HydrophobicContact CG2-CD2 4.5Å
52R96Very high94Very high101 Ų10182.4 Ų82.438%0.38141%0.41SS..  trans-76.4151.7175.6-65.5-67.1-167.31678.2110.4D4 T7 E54D4-R52 IonicContact OD1-CZ 2.95Å; D4-R52 VanDerWaalsContact OD1-CZ 3.28Å; D4-R52 IonicContact OD1-NE 3.53Å; D4-R52 PolarHBondContact OD1-NE 3.19Å; D4-R52 IonicContact OD1-NH2 3.89Å; D4-R52 PolarHBondContact OD1-NH2 2.85Å; D4-R52 IonicContact OD2-NH2 3.02Å; T7-R52 HydrophobicContact CG2-CB 4.07Å; T7-R52 PolarHBondContact OG1-N 3.41Å; R52-E54 HydrophobicContact CB-CG 3.93Å; R52-E54 WeakPolarHBondContact CB-OE1 3.4Å; R52-E54 PolarHBondContact O-N 3.39Å
53N94.4Very high93.4Very high153 Ų15385.9 Ų85.982%0.81843%0.426SS*.  trans-80.279.3173.6-170.826.3000109.2
54E94.8Very high92.9Very high67 Ų6792.4 Ų92.431%0.31346%0.457SS..  trans-122.1148.9-179-71.7174.7-158.400109.8T7 I11 R52 T69 A70T7-E54 HydrophobicContact CG2-CB 4.19Å; I11-E54 HydrophobicContact CD1-CB 3.94Å; R52-E54 HydrophobicContact CB-CG 3.93Å; R52-E54 WeakPolarHBondContact CB-OE1 3.4Å; R52-E54 PolarHBondContact O-N 3.39Å; E54-T69 CarbonylContact O-C 3.58Å; E54-T69 VanDerWaalsContact O-CA 3.32Å; E54-T69 WeakPolarHBondContact O-CA 3.47Å; E54-A70 PolarHBondContact O-N 3.41Å
55V93.9Very high92.5Very high85 Ų8594 Ų9452%0.51547%0.471SS..EExtended strand (participates in β ladder)trans-81.8124.9177.6-177.70000108.2V58V55-V58 HydrophobicContact CG1-CG2 3.57Å
56A91.9Very high92.2Very high22 Ų2287.9 Ų87.918%0.18245%0.452CS..EExtended strand (participates in β ladder)trans-93.8-40.817900000112.3I11 E68 K73I11-A56 HydrophobicContact CG1-CB 3.97Å; A56-E68 PolarHBondContact N-O 3.11Å; A56-K73 HydrophobicContact CB-CB 4.02Å; A56-K73 HydrophobicContact CB-CD 3.85Å
57D91.2Very high91.9Very high77 Ų7788.3 Ų88.341%0.41246%0.46SS..EExtended strand (participates in β ladder)trans-146150.4-179.9-16621.6000111E68D57-E68 HydrophobicContact CB-CB 4.32Å; D57-E68 PolarHBondContact N-O 2.88Å; D57-E68 PolarHBondContact O-N 3.37Å
58V91.7Very high91.7Very high87 Ų8789.6 Ų89.653%0.52747%0.466SS..EExtended strand (participates in β ladder)trans-134.4113.9175.5-175.50000107.4V55 I65 T67V55-V58 HydrophobicContact CG1-CG2 3.57Å; V58-I65 HydrophobicContact CG1-CG2 3.75Å; V58-T67 HydrophobicContact CG1-CG2 4.31Å; V58-T67 HydrophobicContact CG2-CG2 4.25Å
59R89.8Confident91.7Very high107 Ų10788.8 Ų88.840%0.40446%0.456SS..EExtended strand (participates in β ladder)trans-130.1149.7-176.863.9-171.3-167-173.814.2110.9E61 V66R59-E61 HydrophobicContact CG-CG 4.2Å; R59-E61 IonicContact CZ-OE1 3.28Å; R59-E61 IonicContact CZ-OE2 2.78Å; R59-E61 IonicContact NE-OE1 2.78Å; R59-E61 PolarHBondContact NE-OE1 2.89Å; R59-E61 IonicContact NE-OE2 2.99Å; R59-E61 PolarHBondContact NE-OE2 3.2Å; R59-E61 IonicContact NH1-OE1 3.99Å; R59-E61 IonicContact NH2-OE1 2.9Å; R59-E61 PolarHBondContact NH2-OE1 3.38Å; R59-E61 IonicContact NH2-OE2 3.13Å; R59-E61 PolarHBondContact NH2-OE2 2.69Å; R59-V66 HydrophobicContact CG-CB 4.15Å; R59-V66 PolarHBondContact N-O 3.45Å; R59-V66 VanDerWaalsContact N-O 3.08Å; R59-V66 PolarHBondContact O-N 3.3Å
60E88.4Confident91.7Very high155 Ų15584.8 Ų84.872%0.72443%0.428SS*.EExtended strand (participates in β ladder)trans-97.2117.2174.3-170.5179.7166.100108.6E64E60-E64 WeakPolarHBondContact CA-O 3.45Å
61E86.5Confident91.7Very high79 Ų7984.7 Ų84.737%0.36943%0.429SS..EExtended strand (participates in β ladder)trans-124.4117.9176.9-67.4-175.3147.100108.4R59 E63 E64 V66R59-E61 HydrophobicContact CG-CG 4.2Å; R59-E61 IonicContact CZ-OE1 3.28Å; R59-E61 IonicContact CZ-OE2 2.78Å; R59-E61 IonicContact NE-OE1 2.78Å; R59-E61 PolarHBondContact NE-OE1 2.89Å; R59-E61 IonicContact NE-OE2 2.99Å; R59-E61 PolarHBondContact NE-OE2 3.2Å; R59-E61 IonicContact NH1-OE1 3.99Å; R59-E61 IonicContact NH2-OE1 2.9Å; R59-E61 PolarHBondContact NH2-OE1 3.38Å; R59-E61 IonicContact NH2-OE2 3.13Å; R59-E61 PolarHBondContact NH2-OE2 2.69Å; E61-E63 PolarHBondContact O-N 3Å; E61-E64 PolarHBondContact N-O 2.72Å; E61-E64 WeakPolarHBondContact O-CB 3.27Å; E61-E64 PolarHBondContact O-N 3.33Å; E61-V66 HydrophobicContact CB-CG2 4.22Å
62N85.4Confident91.6Very high164 Ų16488.1 Ų88.188%0.87745%0.445SS*.THydrogen-bonded Turntrans51.948.7176.9-53-52.7000114.6E64N62-E64 PolarHBondContact O-N 3.23Å
63E85.5Confident91.7Very high189 Ų18984.5 Ų84.588%0.88343%0.432SS*.THydrogen-bonded Turntrans66.55.9-176.9-49.8177.8165.800114.5E61E61-E63 PolarHBondContact O-N 3Å
64E87.4Confident91.8Very high137 Ų13777.2 Ų77.264%0.6439%0.393SS*.EExtended strand (participates in β ladder)trans-107139.1173.7-170.7175.3-176.200111.3E60 E61 N62 V66E60-E64 WeakPolarHBondContact CA-O 3.45Å; E61-E64 PolarHBondContact N-O 2.72Å; E61-E64 WeakPolarHBondContact O-CB 3.27Å; E61-E64 PolarHBondContact O-N 3.33Å; N62-E64 PolarHBondContact O-N 3.23Å; E64-V66 PolarHBondContact O-N 3.34Å
65I88.1Confident91.9Very high123 Ų12374.6 Ų74.663%0.63138%0.381SS*.EExtended strand (participates in β ladder)trans-87.7106.9174.7-58174.3000108.5V58 T67V58-I65 HydrophobicContact CG1-CG2 3.75Å; I65-T67 HydrophobicContact CG2-CG2 4.41Å
66V89.5Confident92Very high43 Ų4375 Ų7526%0.26138%0.38SS..EExtended strand (participates in β ladder)trans-93.1118.9176-177.50000108.8R59 E61 E64R59-V66 HydrophobicContact CG-CB 4.15Å; R59-V66 PolarHBondContact N-O 3.45Å; R59-V66 VanDerWaalsContact N-O 3.08Å; R59-V66 PolarHBondContact O-N 3.3Å; E61-V66 HydrophobicContact CB-CG2 4.22Å; E64-V66 PolarHBondContact O-N 3.34Å
67T91.6Very high92.1Very high81 Ų8176.7 Ų76.750%0.49739%0.386SS..EExtended strand (participates in β ladder)trans-100.7123.2174.953.80000109.8V58 I65V58-T67 HydrophobicContact CG1-CG2 4.31Å; V58-T67 HydrophobicContact CG2-CG2 4.25Å; I65-T67 HydrophobicContact CG2-CG2 4.41Å
68E93.5Very high92.4Very high26 Ų2673 Ų7312%0.12137%0.367CS..EExtended strand (participates in β ladder)trans-102.1120.9175.4-166.8170.1-149.800109.9A56 D57 Q72 K73 N76A56-E68 PolarHBondContact N-O 3.11Å; D57-E68 HydrophobicContact CB-CB 4.32Å; D57-E68 PolarHBondContact N-O 2.88Å; D57-E68 PolarHBondContact O-N 3.37Å; E68-Q72 HydrophobicContact CG-CB 3.52Å; E68-Q72 VanDerWaalsContact OE1-C 3.31Å; E68-K73 HydrophobicContact CG-CB 4.31Å; E68-K73 WeakPolarHBondContact OE1-CA 3.38Å; E68-K73 PolarHBondContact OE1-N 3.09Å; E68-N76 PolarHBondContact OE1-ND2 2.88Å; E68-N76 VanDerWaalsContact OE1-ND2 3.16Å
69T96Very high92.5Very high32 Ų3269.1 Ų69.120%0.19634%0.343CS..EExtended strand (participates in β ladder)trans-74.8156.817259.80000111.1E54 L71 Q72 K73E54-T69 CarbonylContact O-C 3.58Å; E54-T69 VanDerWaalsContact O-CA 3.32Å; E54-T69 WeakPolarHBondContact O-CA 3.47Å; T69-L71 PolarHBondContact O-N 3.03Å; T69-L71 VanDerWaalsContact O-N 3.14Å; T69-Q72 WeakPolarHBondContact O-CA 3.41Å; T69-Q72 WeakPolarHBondContact O-CB 3.49Å; T69-Q72 PolarHBondContact O-N 2.83Å; T69-Q72 WeakPolarHBondContact OG1-CG 3.44Å; T69-Q72 PolarHBondContact OG1-N 2.9Å; T69-Q72 PolarHBondContact OG1-OE1 2.74Å; T69-K73 PolarHBondContact O-N 3.04Å
70A96.4Very high92.8Very high0 Ų067.5 Ų67.50%035%0.347CS..Hα-helixtrans-54.8-34.3173.200000112.7T7 I10 I11 V51 E54 L74T7-A70 HydrophobicContact CG2-CB 3.68Å; I10-A70 HydrophobicContact CG2-CB 4.14Å; I10-A70 VanDerWaalsContact CG2-O 3.31Å; I10-A70 WeakPolarHBondContact CG2-O 3.44Å; I11-A70 HydrophobicContact CD1-CB 4.27Å; I11-A70 HydrophobicContact CG1-CB 3.94Å; V51-A70 HydrophobicContact CG1-CB 3.96Å; E54-A70 PolarHBondContact O-N 3.41Å; A70-L74 WeakPolarHBondContact O-CB 3.38Å; A70-L74 PolarHBondContact O-N 2.92Å
71L96.6Very high93.2Very high44 Ų4465 Ų6523%0.2333%0.331CS..Hα-helixtrans-65.9-43.3174-173.568.9000111.6A47 A48 T69 L74 F75A47-L71 HydrophobicContact CB-CD1 3.73Å; A48-L71 HydrophobicContact CB-CD2 3.86Å; T69-L71 PolarHBondContact O-N 3.03Å; T69-L71 VanDerWaalsContact O-N 3.14Å; L71-L74 PolarHBondContact O-N 3.14Å; L71-F75 HydrophobicContact CD1-CD2 4.13Å; L71-F75 HydrophobicContact CD1-CE2 3.77Å; L71-F75 HydrophobicContact CG-CD2 4.4Å; L71-F75 HydrophobicContact CG-CE2 4.44Å; L71-F75 WeakPolarHBondContact O-CD2 3.37Å; L71-F75 PolarHBondContact O-N 2.84Å
72Q96Very high93.7Very high79 Ų7961.6 Ų61.637%0.36932%0.315SS..Hα-helixtrans-64.2-47.3176.1-76.5161.1-3800111.1E68 T69 L74 F75 N76E68-Q72 HydrophobicContact CG-CB 3.52Å; E68-Q72 VanDerWaalsContact OE1-C 3.31Å; T69-Q72 WeakPolarHBondContact O-CA 3.41Å; T69-Q72 WeakPolarHBondContact O-CB 3.49Å; T69-Q72 PolarHBondContact O-N 2.83Å; T69-Q72 WeakPolarHBondContact OG1-CG 3.44Å; T69-Q72 PolarHBondContact OG1-N 2.9Å; T69-Q72 PolarHBondContact OG1-OE1 2.74Å; Q72-L74 VanDerWaalsContact C-N 3.26Å; Q72-L74 PolarHBondContact O-N 2.83Å; Q72-F75 PolarHBondContact O-N 2.85Å; Q72-N76 WeakPolarHBondContact O-CB 3.23Å; Q72-N76 VanDerWaalsContact O-CG 3.28Å; Q72-N76 PolarHBondContact O-N 2.88Å; Q72-N76 PolarHBondContact O-ND2 2.78Å
73K96.6Very high94.1Very high25 Ų2556.9 Ų56.911%0.10930%0.298CS..Hα-helixtrans-54.4-42176.3-179.3169.8178.21700112.4I10 I11 E13 A56 E68 T69 F75 D77 I78I10-K73 WeakPolarHBondContact O-CD 3.42Å; I10-K73 VanDerWaalsContact O-CE 3.27Å; I10-K73 WeakPolarHBondContact O-CE 3.48Å; I11-K73 PolarHBondContact O-NZ 3.3Å; E13-K73 WeakPolarHBondContact OE1-CE 3.4Å; E13-K73 IonicContact OE1-NZ 3.26Å; E13-K73 PolarHBondContact OE1-NZ 2.9Å; E13-K73 VanDerWaalsContact OE1-NZ 3.13Å; A56-K73 HydrophobicContact CB-CB 4.02Å; A56-K73 HydrophobicContact CB-CD 3.85Å; E68-K73 HydrophobicContact CG-CB 4.31Å; E68-K73 WeakPolarHBondContact OE1-CA 3.38Å; E68-K73 PolarHBondContact OE1-N 3.09Å; T69-K73 PolarHBondContact O-N 3.04Å; K73-F75 PolarHBondContact O-N 2.99Å; K73-D77 PolarHBondContact O-N 3.44Å; K73-I78 HydrophobicContact CG-CD1 4.28Å; K73-I78 HydrophobicContact CG-CG1 4.33Å; K73-I78 PolarHBondContact O-N 3.04Å; K73-I78 VanDerWaalsContact O-N 3.07Å
74L96.8Very high94.6Very high0 Ų057 Ų570%030%0.299CS..Iπ-helixtrans-58.2-44.6176.5177.165.4000112.8I10 M32 I33 A47 V51 A70 L71 Q72 I78 A79I10-L74 HydrophobicContact CD1-CD1 4.31Å; I10-L74 HydrophobicContact CD1-CD2 4.37Å; I10-L74 HydrophobicContact CG2-CB 4.33Å; M32-L74 HydrophobicContact CB-CD2 4.08Å; I33-L74 HydrophobicContact CG1-CD1 4.14Å; A47-L74 HydrophobicContact CB-CD2 4.31Å; V51-L74 HydrophobicContact CG2-CD2 4.5Å; A70-L74 WeakPolarHBondContact O-CB 3.38Å; A70-L74 PolarHBondContact O-N 2.92Å; L71-L74 PolarHBondContact O-N 3.14Å; Q72-L74 VanDerWaalsContact C-N 3.26Å; Q72-L74 PolarHBondContact O-N 2.83Å; L74-I78 HydrophobicContact CD1-CB 4.43Å; L74-I78 HydrophobicContact CD1-CG2 4.41Å; L74-A79 WeakPolarHBondContact O-CB 3.46Å; L74-A79 PolarHBondContact O-N 2.8Å
75F97.1Very high94.9Very high11 Ų1154.9 Ų54.95%0.04829%0.285CS..Iπ-helixtrans-87.2-30.7-175-81.3-89.2000113.7R44 A47 L71 Q72 K73 P80R44-F75 HydrophobicContact CB-CE2 4.41Å; R44-F75 HydrophobicContact CB-CZ 4.12Å; R44-F75 HydrophobicContact CG-CD1 3.95Å; R44-F75 HydrophobicContact CG-CD2 4.2Å; R44-F75 HydrophobicContact CG-CE1 3.5Å; R44-F75 VanDerWaalsContact CG-CE1 3.5Å; R44-F75 HydrophobicContact CG-CE2 3.81Å; R44-F75 HydrophobicContact CG-CG 4.29Å; R44-F75 HydrophobicContact CG-CZ 3.44Å; R44-F75 VanDerWaalsContact CG-CZ 3.44Å; A47-F75 HydrophobicContact CB-CE2 3.84Å; A47-F75 HydrophobicContact CB-CZ 4.14Å; L71-F75 HydrophobicContact CD1-CD2 4.13Å; L71-F75 HydrophobicContact CD1-CE2 3.77Å; L71-F75 HydrophobicContact CG-CD2 4.4Å; L71-F75 HydrophobicContact CG-CE2 4.44Å; L71-F75 WeakPolarHBondContact O-CD2 3.37Å; L71-F75 PolarHBondContact O-N 2.84Å; Q72-F75 PolarHBondContact O-N 2.85Å; K73-F75 PolarHBondContact O-N 2.99Å; F75-P80 WeakPolarHBondContact O-CD 3.45Å
76N95.5Very high95.1Very high93 Ų9358.2 Ų58.250%0.49730%0.298SS..Iπ-helixtrans-90.7-34.9-173.8-63.9-19.9000112.7E68 Q72 P80E68-N76 PolarHBondContact OE1-ND2 2.88Å; E68-N76 VanDerWaalsContact OE1-ND2 3.16Å; Q72-N76 WeakPolarHBondContact O-CB 3.23Å; Q72-N76 VanDerWaalsContact O-CG 3.28Å; Q72-N76 PolarHBondContact O-N 2.88Å; Q72-N76 PolarHBondContact O-ND2 2.78Å; N76-P80 WeakPolarHBondContact O-CG 3.37Å
77D95.2Very high95.3Very high59 Ų5957.6 Ų57.632%0.31630%0.3SS..Iπ-helixtrans-115.3-60.5-173.9169.326.9000111.6K73 A79 P80 R81K73-D77 PolarHBondContact O-N 3.44Å; D77-A79 PolarHBondContact O-N 3.44Å; D77-P80 WeakPolarHBondContact O-CD 3.44Å; D77-R81 WeakPolarHBondContact O-CG 3.32Å; D77-R81 PolarHBondContact O-N 2.75Å; D77-R81 IonicContact OD1-CZ 3.48Å; D77-R81 IonicContact OD1-NE 2.88Å; D77-R81 PolarHBondContact OD1-NE 2.88Å; D77-R81 IonicContact OD1-NH2 3Å; D77-R81 PolarHBondContact OD1-NH2 2.88Å; D77-R81 IonicContact OD2-CZ 3.65Å; D77-R81 IonicContact OD2-NE 3.82Å; D77-R81 IonicContact OD2-NH2 3.36Å; D77-R81 PolarHBondContact OD2-NH2 2.88Å
78I96.3Very high95.4Very high0 Ų055.8 Ų55.80%030%0.298CS..Iπ-helixtrans-65.1-47.9-172.1-59.1176.1000112.2I10 I33 K73 L74 R81 Y82 L110I10-I78 HydrophobicContact CB-CD1 4.21Å; I10-I78 HydrophobicContact CG1-CD1 4.35Å; I10-I78 HydrophobicContact CG2-CD1 3.78Å; I33-I78 HydrophobicContact CD1-CG2 4.21Å; I33-I78 HydrophobicContact CG1-CG2 3.99Å; K73-I78 HydrophobicContact CG-CD1 4.28Å; K73-I78 HydrophobicContact CG-CG1 4.33Å; K73-I78 PolarHBondContact O-N 3.04Å; K73-I78 VanDerWaalsContact O-N 3.07Å; L74-I78 HydrophobicContact CD1-CB 4.43Å; L74-I78 HydrophobicContact CD1-CG2 4.41Å; I78-R81 WeakPolarHBondContact O-CB 3.35Å; I78-R81 PolarHBondContact O-N 2.89Å; I78-Y82 HydrophobicContact CG2-CD2 4.01Å; I78-Y82 HydrophobicContact CG2-CE2 3.74Å; I78-Y82 VanDerWaalsContact O-CD2 3.26Å; I78-Y82 WeakPolarHBondContact O-CD2 3.33Å; I78-L110 HydrophobicContact CD1-CD1 3.92Å; I78-L110 HydrophobicContact CG1-CD1 4.41Å; I78-L110 HydrophobicContact CG2-CD1 4.12Å
79A95.6Very high95.5Very high4 Ų455 Ų553%0.03329%0.294CS..Hα-helixtrans-64.9-44.4-175.700000113.5K37 L74 D77 R81 Y82 A83K37-A79 HydrophobicContact CG-CB 4.43Å; L74-A79 WeakPolarHBondContact O-CB 3.46Å; L74-A79 PolarHBondContact O-N 2.8Å; D77-A79 PolarHBondContact O-N 3.44Å; A79-R81 VanDerWaalsContact C-N 3.33Å; A79-R81 PolarHBondContact O-N 3.23Å; A79-Y82 PolarHBondContact O-N 3.18Å; A79-Y82 VanDerWaalsContact O-N 3.14Å; A79-A83 PolarHBondContact O-N 3.39Å
80P96Very high95.6Very high74 Ų7454.1 Ų54.148%0.48129%0.288SS..Hα-helixtrans-58.3-38.6172.6-29.738.6000113.9F75 N76 D77 Y82 A83F75-P80 WeakPolarHBondContact O-CD 3.45Å; N76-P80 WeakPolarHBondContact O-CG 3.37Å; D77-P80 WeakPolarHBondContact O-CD 3.44Å; P80-Y82 PolarHBondContact O-N 3.4Å; P80-Y82 VanDerWaalsContact O-N 3.08Å; P80-A83 WeakPolarHBondContact O-CB 3.4Å; P80-A83 PolarHBondContact O-N 3.49Å; P80-A83 VanDerWaalsContact O-N 3.12Å
81R96.4Very high95.6Very high102 Ų10259.7 Ų59.739%0.38531%0.309SS..Hα-helixtrans-55.6-27.3175.5-76.6-170.9-86.8165-11.2113.5E13 D77 I78 A79E13-R81 IonicContact OE1-CZ 3.64Å; E13-R81 IonicContact OE1-NH1 3.65Å; E13-R81 IonicContact OE1-NH2 3.85Å; E13-R81 PolarHBondContact OE1-NH2 3.46Å; E13-R81 IonicContact OE2-CZ 3.53Å; E13-R81 IonicContact OE2-NH1 2.76Å; E13-R81 PolarHBondContact OE2-NH1 3.08Å; E13-R81 IonicContact OE2-NH2 2.76Å; E13-R81 PolarHBondContact OE2-NH2 2.86Å; D77-R81 WeakPolarHBondContact O-CG 3.32Å; D77-R81 PolarHBondContact O-N 2.75Å; D77-R81 IonicContact OD1-CZ 3.48Å; D77-R81 IonicContact OD1-NE 2.88Å; D77-R81 PolarHBondContact OD1-NE 2.88Å; D77-R81 IonicContact OD1-NH2 3Å; D77-R81 PolarHBondContact OD1-NH2 2.88Å; D77-R81 IonicContact OD2-CZ 3.65Å; D77-R81 IonicContact OD2-NE 3.82Å; D77-R81 IonicContact OD2-NH2 3.36Å; D77-R81 PolarHBondContact OD2-NH2 2.88Å; I78-R81 WeakPolarHBondContact O-CB 3.35Å; I78-R81 PolarHBondContact O-N 2.89Å; A79-R81 VanDerWaalsContact C-N 3.33Å; A79-R81 PolarHBondContact O-N 3.23Å
82Y96.4Very high95.7Very high8 Ų859.3 Ų59.33%0.03131%0.307CS..THydrogen-bonded Turntrans-109.616.6-178.2-58.5-48.2000114.6I33 K37 I78 A79 P80 E84 R85 Y89 L110 V111I33-Y82 HydrophobicContact CD1-CD2 4.33Å; I33-Y82 HydrophobicContact CD1-CE2 4.17Å; I33-Y82 HydrophobicContact CG2-CD2 3.71Å; I33-Y82 HydrophobicContact CG2-CG 4.41Å; K37-Y82 WeakPolarHBondContact CD-O 3.34Å; K37-Y82 VanDerWaalsContact CE-O 3.27Å; K37-Y82 WeakPolarHBondContact CE-O 3.32Å; K37-Y82 PolarHBondContact NZ-O 2.99Å; I78-Y82 HydrophobicContact CG2-CD2 4.01Å; I78-Y82 HydrophobicContact CG2-CE2 3.74Å; I78-Y82 VanDerWaalsContact O-CD2 3.26Å; I78-Y82 WeakPolarHBondContact O-CD2 3.33Å; A79-Y82 PolarHBondContact O-N 3.18Å; A79-Y82 VanDerWaalsContact O-N 3.14Å; P80-Y82 PolarHBondContact O-N 3.4Å; P80-Y82 VanDerWaalsContact O-N 3.08Å; Y82-E84 VanDerWaalsContact C-N 3.28Å; Y82-E84 PolarHBondContact O-N 2.96Å; Y82-R85 PolarHBondContact O-N 3.09Å; Y82-R85 VanDerWaalsContact O-N 3.16Å; Y82-Y89 HydrophobicContact CD1-CD1 4Å; Y82-Y89 HydrophobicContact CD2-CD1 4Å; Y82-Y89 HydrophobicContact CD2-CG 4.28Å; Y82-Y89 AromaticContact CG-CD1 3.63Å; Y82-Y89 HydrophobicContact CG-CD1 3.63Å; Y82-Y89 HydrophobicContact CG-CE1 4.17Å; Y82-Y89 HydrophobicContact CG-CG 4.35Å; Y82-L110 WeakPolarHBondContact OH-CB 3.16Å; Y82-V111 WeakPolarHBondContact CE1-O 3.49Å; Y82-V111 PolarHBondContact OH-N 3.21Å; Y82-V111 PolarHBondContact OH-O 3.46Å
83A94.5Very high95.8Very high65 Ų6559.1 Ų59.154%0.53731%0.308SS..SBendtrans-50.5-47.4-178.300000112.4K37 A79 P80K37-A83 WeakPolarHBondContact CE-O 3.46Å; K37-A83 PolarHBondContact NZ-O 3.42Å; A79-A83 PolarHBondContact O-N 3.39Å; P80-A83 WeakPolarHBondContact O-CB 3.4Å; P80-A83 PolarHBondContact O-N 3.49Å; P80-A83 VanDerWaalsContact O-N 3.12Å
84E94.8Very high95.8Very high191 Ų19165.6 Ų65.689%0.89334%0.336SS*.SBendtrans-84-21.1-177.4-59.6-174.9160.500114Y82Y82-E84 VanDerWaalsContact C-N 3.28Å; Y82-E84 PolarHBondContact O-N 2.96Å
85R95.3Very high95.7Very high92 Ų9268.6 Ų68.635%0.34736%0.355SS..  trans-79.9130.6-175.7-171.5179.2-69-177.916.2111.7K37 Y82 G87 G88 Y89 V111K37-R85 PolarHBondContact NZ-O 2.81Å; Y82-R85 PolarHBondContact O-N 3.09Å; Y82-R85 VanDerWaalsContact O-N 3.16Å; R85-G87 WeakPolarHBondContact CD-O 3.34Å; R85-G87 VanDerWaalsContact CG-O 3.3Å; R85-G87 WeakPolarHBondContact CG-O 3.29Å; R85-G87 PolarHBondContact O-N 2.99Å; R85-G88 PolarHBondContact NH1-O 3.21Å; R85-Y89 HydrophobicContact CB-CD1 4.48Å; R85-Y89 HydrophobicContact CB-CE1 4.13Å; R85-Y89 HydrophobicContact CG-CD1 4.31Å; R85-Y89 HydrophobicContact CG-CE1 4.16Å; R85-Y89 WeakPolarHBondContact O-CE1 3.45Å; R85-Y89 PolarHBondContact O-OH 3.46Å; R85-V111 VanDerWaalsContact NH1-C 3.34Å; R85-V111 PolarHBondContact NH1-O 3.33Å; R85-V111 PolarHBondContact NH2-O 3Å; R85-V111 PolarHBondContact NH2-OXT 2.96Å
86Q92.2Very high95.7Very high194 Ų19476 Ų7691%0.90739%0.389SS*.  trans-97.583.1176.1-63.6-174.80.700111.1
87G92.7Very high95.7Very high29 Ų2975.1 Ų75.130%0.29939%0.389SS..SBendtrans76.8179.7178.900000114.3R85 Y89R85-G87 WeakPolarHBondContact CD-O 3.34Å; R85-G87 VanDerWaalsContact CG-O 3.3Å; R85-G87 WeakPolarHBondContact CG-O 3.29Å; R85-G87 PolarHBondContact O-N 2.99Å; G87-Y89 PolarHBondContact N-OH 3.17Å
88G93.6Very high95.8Very high44 Ų4477.3 Ų77.345%0.45439%0.393SS..  trans63.647.6-178.500000112.9R85 T90R85-G88 PolarHBondContact NH1-O 3.21Å; G88-T90 VanDerWaalsContact C-N 3.26Å
89Y96.1Very high95.8Very high10 Ų1089.2 Ų89.24%0.03944%0.438CS..  trans-80.8-9.6179.9-45.9-59.4000112.7E30 I33 Y82 R85 G87 L110 V111E30-Y89 HydrophobicContact CB-CD2 4.1Å; E30-Y89 HydrophobicContact CG-CD2 3.97Å; I33-Y89 HydrophobicContact CB-CD2 3.84Å; I33-Y89 HydrophobicContact CB-CE2 4.13Å; I33-Y89 HydrophobicContact CB-CG 4.42Å; I33-Y89 HydrophobicContact CD1-CD2 4.01Å; I33-Y89 HydrophobicContact CD1-CG 4.02Å; I33-Y89 HydrophobicContact CG2-CD1 4.24Å; I33-Y89 HydrophobicContact CG2-CD2 3.61Å; I33-Y89 HydrophobicContact CG2-CE1 4.36Å; I33-Y89 HydrophobicContact CG2-CE2 3.74Å; I33-Y89 HydrophobicContact CG2-CG 3.88Å; Y82-Y89 HydrophobicContact CD1-CD1 4Å; Y82-Y89 HydrophobicContact CD2-CD1 4Å; Y82-Y89 HydrophobicContact CD2-CG 4.28Å; Y82-Y89 AromaticContact CG-CD1 3.63Å; Y82-Y89 HydrophobicContact CG-CD1 3.63Å; Y82-Y89 HydrophobicContact CG-CE1 4.17Å; Y82-Y89 HydrophobicContact CG-CG 4.35Å; R85-Y89 HydrophobicContact CB-CD1 4.48Å; R85-Y89 HydrophobicContact CB-CE1 4.13Å; R85-Y89 HydrophobicContact CG-CD1 4.31Å; R85-Y89 HydrophobicContact CG-CE1 4.16Å; R85-Y89 WeakPolarHBondContact O-CE1 3.45Å; R85-Y89 PolarHBondContact O-OH 3.46Å; G87-Y89 PolarHBondContact N-OH 3.17Å; Y89-L110 WeakPolarHBondContact O-CA 3.1Å; Y89-V111 PolarHBondContact O-N 3.08Å
90T97.3Very high95.8Very high13 Ų1393 Ų938%0.0848%0.478CS..EExtended strand (participates in β ladder)trans-124.2146.7-175.171.50000112L9 R26 A29 E30 G88 E109 L110L9-T90 HydrophobicContact CD2-CG2 4.46Å; R26-T90 WeakPolarHBondContact CG-OG1 3.47Å; R26-T90 PolarHBondContact NE-OG1 2.89Å; A29-T90 HydrophobicContact CB-CG2 4.36Å; E30-T90 HydrophobicContact CG-CG2 4.16Å; E30-T90 PolarHBondContact OE1-OG1 2.9Å; G88-T90 VanDerWaalsContact C-N 3.26Å; T90-E109 CarbonylContact C-O 3.51Å; T90-E109 VanDerWaalsContact CA-O 3.25Å; T90-E109 WeakPolarHBondContact CA-O 3.21Å; T90-L110 HydrophobicContact CG2-CD2 3.96Å
91R97.2Very high95.8Very high117 Ų11794 Ų9444%0.44248%0.479SS..EExtended strand (participates in β ladder)trans-121.7139.8171.6-176.4-173.1-61.7151.2-9110L93 L108 E109 V111R91-L93 HydrophobicContact CG-CD2 4.1Å; R91-L93 HydrophobicContact CG-CG 4.28Å; R91-L108 WeakPolarHBondContact O-CA 3.33Å; R91-E109 HydrophobicContact CB-CG 4.01Å; R91-E109 WeakPolarHBondContact CD-OE1 3.46Å; R91-E109 IonicContact CZ-OE1 3.36Å; R91-E109 PolarHBondContact N-O 2.74Å; R91-E109 IonicContact NH1-OE1 2.72Å; R91-E109 PolarHBondContact NH1-OE1 3.41Å; R91-E109 PolarHBondContact O-N 3.14Å; R91-V111 HydrophobicContact CB-CG2 3.51Å
92I97.9Very high95.7Very high35 Ų3595 Ų9518%0.17949%0.492CS..EExtended strand (participates in β ladder)trans-108.9121.9172-70.2174.7000107.7A22 K23 R26 V106 V107 L108A22-I92 HydrophobicContact CB-CD1 3.84Å; A22-I92 HydrophobicContact CB-CG1 4.22Å; K23-I92 HydrophobicContact CG-CD1 4.31Å; R26-I92 VanDerWaalsContact NH2-CD1 3.3Å; I92-V106 HydrophobicContact CG2-CB 3.74Å; I92-V106 HydrophobicContact CG2-CG1 3.8Å; I92-V106 HydrophobicContact CG2-CG2 3.97Å; I92-V107 CarbonylContact C-O 3.58Å; I92-V107 WeakPolarHBondContact CA-O 3.4Å; I92-L108 HydrophobicContact CD1-CD1 4.31Å; I92-L108 HydrophobicContact CG1-CD1 3.58Å
93L97.7Very high95.8Very high75 Ų7595.4 Ų95.439%0.39350%0.497SS..EExtended strand (participates in β ladder)trans-110.6125.8174-61.2174.4000109R91 V106 V107R91-L93 HydrophobicContact CG-CD2 4.1Å; R91-L93 HydrophobicContact CG-CG 4.28Å; L93-V106 CarbonylContact O-C 3.53Å; L93-V106 WeakPolarHBondContact O-CA 3.44Å; L93-V106 WeakPolarHBondContact O-CB 3.38Å; L93-V107 HydrophobicContact CB-CB 4.28Å; L93-V107 PolarHBondContact N-O 3.07Å; L93-V107 PolarHBondContact O-N 2.98Å
94K97.1Very high95.9Very high162 Ų16295.7 Ų95.770%0.70449%0.493SS*.EExtended strand (participates in β ladder)trans-72.3137.2176.7-68-174.6174.3-173.40110.2V106K94-V106 HydrophobicContact CG-CG1 4.37Å
95T96.1Very high96.1Very high63 Ų6387.4 Ų87.439%0.38746%0.455SS..  trans-119.7-176.2173.863.40000110.3M105 V107T95-M105 PolarHBondContact N-O 2.78Å; T95-M105 WeakPolarHBondContact OG1-CB 3.5Å; T95-M105 PolarHBondContact OG1-O 3Å; T95-M105 VanDerWaalsContact OG1-O 3.1Å; T95-V107 HydrophobicContact CG2-CG2 3.73Å
96E95.4Very high96.2Very high166 Ų16683 Ų8378%0.77644%0.438SS*.PPolyproline II helixtrans-63.2145.9175.4-63.2-177.9174.800111.8M105E96-M105 WeakPolarHBondContact O-CB 3.44Å
97P96.5Very high96.5Very high75 Ų7574.2 Ų74.249%0.48740%0.397SS..PPolyproline II helixtrans-57.6143.4171.2-2232.8000111.6R99 N102 A103P97-R99 PolarHBondContact O-N 2.83Å; P97-N102 WeakPolarHBondContact CB-OD1 3.14Å; P97-A103 WeakPolarHBondContact CA-O 3.39Å
98R96.7Very high96.7Very high105 Ų10572.8 Ų72.840%0.39638%0.383SS..PPolyproline II helixtrans-68.3132.8179.4-174.6-172.7-57.4170.7-4.6110.9G100 D101 N102 A103 M105R98-G100 PolarHBondContact O-N 2.91Å; R98-D101 WeakPolarHBondContact CB-OD1 3.41Å; R98-D101 WeakPolarHBondContact CD-OD1 3.46Å; R98-D101 IonicContact NH1-OD2 3.41Å; R98-D101 PolarHBondContact NH1-OD2 3Å; R98-N102 WeakPolarHBondContact O-CA 3.37Å; R98-N102 PolarHBondContact O-N 2.95Å; R98-A103 PolarHBondContact N-O 2.7Å; R98-M105 HydrophobicContact CB-CG 3.77Å; R98-M105 HydrophobicContact CB-SD 4.15Å; R98-M105 PolarHBondContact NE-SD 3.13Å; R98-M105 VanDerWaalsContact NE-SD 3.43Å; R98-M105 VanDerWaalsContact NH2-CE 3.33Å; R98-M105 PolarHBondContact NH2-SD 2.82Å
99R95.8Very high96.9Very high249 Ų24972.4 Ų72.494%0.9437%0.369SS*.THydrogen-bonded Turntrans-65.7122.4172.2-176.6177.2170.4177.5-2.9110.2P97P97-R99 PolarHBondContact O-N 2.83Å
100G95.5Very high97Very high85 Ų8572.9 Ų72.988%0.87637%0.373SS*.THydrogen-bonded Turntrans123.4-54.9175.500000112.9R98R98-G100 PolarHBondContact O-N 2.91Å
101D97Very high96.8Very high94 Ų9475.1 Ų75.150%0.50339%0.386SS..THydrogen-bonded Turntrans-110.8-5.2-179.360.63000113.6R98 A103R98-D101 WeakPolarHBondContact CB-OD1 3.41Å; R98-D101 WeakPolarHBondContact CD-OD1 3.46Å; R98-D101 IonicContact NH1-OD2 3.41Å; R98-D101 PolarHBondContact NH1-OD2 3Å; D101-A103 PolarHBondContact O-N 3.1Å; D101-A103 VanDerWaalsContact O-N 3.16Å; D101-A103 WeakPolarHBondContact OD1-CB 3.22Å; D101-A103 PolarHBondContact OD1-N 2.95Å; D101-A103 VanDerWaalsContact OD1-N 3.14Å
102N95.2Very high96.8Very high123 Ų12373 Ų7366%0.65838%0.383SS*.  trans54.328-175.7-161.736.2000113.2P97 R98P97-N102 WeakPolarHBondContact CB-OD1 3.14Å; R98-N102 WeakPolarHBondContact O-CA 3.37Å; R98-N102 PolarHBondContact O-N 2.95Å
103A97.1Very high96.8Very high17 Ų1775 Ų7514%0.1439%0.394CS..  trans-69.1133.3179.500000110.4T18 P97 R98 D101 M105T18-A103 HydrophobicContact CG2-CB 4.04Å; P97-A103 WeakPolarHBondContact CA-O 3.39Å; R98-A103 PolarHBondContact N-O 2.7Å; D101-A103 PolarHBondContact O-N 3.1Å; D101-A103 VanDerWaalsContact O-N 3.16Å; D101-A103 WeakPolarHBondContact OD1-CB 3.22Å; D101-A103 PolarHBondContact OD1-N 2.95Å; D101-A103 VanDerWaalsContact OD1-N 3.14Å; A103-M105 PolarHBondContact O-N 2.9Å; A103-M105 VanDerWaalsContact O-N 3.13Å
104P97.6Very high96.7Very high71 Ų7175 Ų7546%0.46139%0.394SS..  trans-67.3114.5176.226.9-33000109.4T18 E19T18-P104 CarbonylContact C-O 3.58Å; T18-P104 WeakPolarHBondContact CA-O 3.35Å; E19-P104 HydrophobicContact CB-CB 4.33Å; E19-P104 HydrophobicContact CB-CG 4.26Å; E19-P104 PolarHBondContact N-O 3.33Å
105M98.1Very high96.7Very high17 Ų1769.9 Ų69.98%0.08438%0.376CS..EExtended strand (participates in β ladder)trans-94.4149.9-179.3-64.5-59.4-63.600111.1V16 T17 T18 T95 E96 R98 A103V16-M105 HydrophobicContact CG1-CE 3.64Å; T17-M105 WeakPolarHBondContact O-CA 3.25Å; T17-M105 WeakPolarHBondContact O-CE 3.3Å; T18-M105 HydrophobicContact CG2-SD 3.92Å; T95-M105 PolarHBondContact N-O 2.78Å; T95-M105 WeakPolarHBondContact OG1-CB 3.5Å; T95-M105 PolarHBondContact OG1-O 3Å; T95-M105 VanDerWaalsContact OG1-O 3.1Å; E96-M105 WeakPolarHBondContact O-CB 3.44Å; R98-M105 HydrophobicContact CB-CG 3.77Å; R98-M105 HydrophobicContact CB-SD 4.15Å; R98-M105 PolarHBondContact NE-SD 3.13Å; R98-M105 VanDerWaalsContact NE-SD 3.43Å; R98-M105 VanDerWaalsContact NH2-CE 3.33Å; R98-M105 PolarHBondContact NH2-SD 2.82Å; A103-M105 PolarHBondContact O-N 2.9Å; A103-M105 VanDerWaalsContact O-N 3.13Å
106V98Very high96.7Very high0 Ų070.3 Ų70.30%038%0.375CS..EExtended strand (participates in β ladder)trans-142.8153.3176.1-55.20000110.8V16 T17 E19 A22 I92 L93 K94V16-V106 WeakPolarHBondContact CA-O 3.19Å; T17-V106 HydrophobicContact CG2-CG2 4.45Å; T17-V106 PolarHBondContact N-O 3.43Å; T17-V106 PolarHBondContact O-N 3.49Å; T17-V106 VanDerWaalsContact O-O 3.1Å; E19-V106 HydrophobicContact CB-CG1 3.84Å; E19-V106 HydrophobicContact CG-CG1 4.12Å; A22-V106 HydrophobicContact CB-CG2 3.3Å; I92-V106 HydrophobicContact CG2-CB 3.74Å; I92-V106 HydrophobicContact CG2-CG1 3.8Å; I92-V106 HydrophobicContact CG2-CG2 3.97Å; L93-V106 CarbonylContact O-C 3.53Å; L93-V106 WeakPolarHBondContact O-CA 3.44Å; L93-V106 WeakPolarHBondContact O-CB 3.38Å; K94-V106 HydrophobicContact CG-CG1 4.37Å
107V98Very high96.8Very high8 Ų863.9 Ų63.95%0.04835%0.348CS..EExtended strand (participates in β ladder)trans-93.5125.6163173.60000107.5R14 I15 V16 I92 L93 T95R14-V107 HydrophobicContact CG-CG1 3.67Å; R14-V107 VanDerWaalsContact NE-CG1 3.31Å; I15-V107 WeakPolarHBondContact O-CA 3.42Å; V16-V107 HydrophobicContact CG2-CG2 4.12Å; I92-V107 CarbonylContact C-O 3.58Å; I92-V107 WeakPolarHBondContact CA-O 3.4Å; L93-V107 HydrophobicContact CB-CB 4.28Å; L93-V107 PolarHBondContact N-O 3.07Å; L93-V107 PolarHBondContact O-N 2.98Å; T95-V107 HydrophobicContact CG2-CG2 3.73Å
108L97.9Very high96.8Very high0 Ų063.1 Ų63.10%034%0.338CS..EExtended strand (participates in β ladder)trans-105.6121.6168.4177.767.8000108L9 R14 I15 A22 V25 R91 I92L9-L108 HydrophobicContact CD1-CG 4.26Å; L9-L108 HydrophobicContact CD2-CD2 3.78Å; L9-L108 HydrophobicContact CD2-CG 4.1Å; R14-L108 CarbonylContact C-O 3.55Å; R14-L108 WeakPolarHBondContact CA-O 3.46Å; I15-L108 HydrophobicContact CD1-CD2 4.2Å; I15-L108 HydrophobicContact CG1-CB 3.95Å; I15-L108 HydrophobicContact CG1-CD2 4.38Å; I15-L108 PolarHBondContact N-O 3.16Å; I15-L108 PolarHBondContact O-N 3.05Å; A22-L108 HydrophobicContact CB-CB 4.37Å; V25-L108 HydrophobicContact CB-CD2 3.88Å; V25-L108 HydrophobicContact CG1-CD2 3.57Å; R91-L108 WeakPolarHBondContact O-CA 3.33Å; I92-L108 HydrophobicContact CD1-CD1 4.31Å; I92-L108 HydrophobicContact CG1-CD1 3.58Å
109E97.7Very high96.8Very high35 Ų3559.9 Ų59.916%0.16433%0.334CS..EExtended strand (participates in β ladder)trans-130.1149.4-17865.8-172.2-166.200111.8E13 R14 T90 R91 V111E13-E109 CarbonylContact O-C 3.49Å; E13-E109 VanDerWaalsContact O-CA 3.29Å; E13-E109 WeakPolarHBondContact O-CA 3.43Å; R14-E109 HydrophobicContact CB-CB 4.39Å; R14-E109 HydrophobicContact CG-CB 4.24Å; T90-E109 CarbonylContact C-O 3.51Å; T90-E109 VanDerWaalsContact CA-O 3.25Å; T90-E109 WeakPolarHBondContact CA-O 3.21Å; R91-E109 HydrophobicContact CB-CG 4.01Å; R91-E109 WeakPolarHBondContact CD-OE1 3.46Å; R91-E109 IonicContact CZ-OE1 3.36Å; R91-E109 PolarHBondContact N-O 2.74Å; R91-E109 IonicContact NH1-OE1 2.72Å; R91-E109 PolarHBondContact NH1-OE1 3.41Å; R91-E109 PolarHBondContact O-N 3.14Å; E109-V111 HydrophobicContact CG-CG2 4.09Å
110L97Very high96.9Very high21 Ų2144.2 Ų44.211%0.1128%0.283CS..EExtended strand (participates in β ladder)trans-75.8139.4165.9-60.3-175.5000109.3L9 E13 I33 I78 Y82 Y89 T90L9-L110 HydrophobicContact CD1-CD2 4.27Å; L9-L110 HydrophobicContact CD1-CG 4.13Å; L9-L110 HydrophobicContact CD2-CD2 4.06Å; L9-L110 HydrophobicContact CG-CD2 4.07Å; L9-L110 HydrophobicContact CG-CG 4.26Å; E13-L110 HydrophobicContact CB-CB 4.49Å; E13-L110 HydrophobicContact CB-CD1 4.3Å; E13-L110 HydrophobicContact CG-CD1 4.24Å; E13-L110 PolarHBondContact O-N 3.12Å; I33-L110 HydrophobicContact CD1-CD2 3.94Å; I78-L110 HydrophobicContact CD1-CD1 3.92Å; I78-L110 HydrophobicContact CG1-CD1 4.41Å; I78-L110 HydrophobicContact CG2-CD1 4.12Å; Y82-L110 WeakPolarHBondContact OH-CB 3.16Å; Y89-L110 WeakPolarHBondContact O-CA 3.1Å; T90-L110 HydrophobicContact CG2-CD2 3.96Å
111V94Very high97.1Very high59 Ų5940.5 Ų40.536%0.35823%0.23SC..  trans-1320-175.5-179.60000111.1Y82 R85 Y89 R91 E109Y82-V111 WeakPolarHBondContact CE1-O 3.49Å; Y82-V111 PolarHBondContact OH-N 3.21Å; Y82-V111 PolarHBondContact OH-O 3.46Å; R85-V111 VanDerWaalsContact NH1-C 3.34Å; R85-V111 PolarHBondContact NH1-O 3.33Å; R85-V111 PolarHBondContact NH2-O 3Å; R85-V111 PolarHBondContact NH2-OXT 2.96Å; Y89-V111 PolarHBondContact O-N 3.08Å; R91-V111 HydrophobicContact CB-CG2 3.51Å; E109-V111 HydrophobicContact CG-CG2 4.09Å

Retrieved 111 of 111 residues in 65.8 ms (Link to these results)

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