A0A077ZFY0_TRITR Loading...

ribose-5-phosphate isomerase

AlphaFold DB , UniProt , Accession A0A077ZFY0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 226 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
1M78.3Confident95.4Very high159 Ų15948.6 Ų48.678%0.78324%0.241SC*.  0125.80-163.6171.5-6800107.1E5 L6 I9M1-E5 WeakPolarHBondContact CA-OE2 3.21Å; M1-E5 HydrophobicContact CG-CB 3.87Å; M1-E5 HydrophobicContact CG-CG 3.73Å; M1-E5 WeakPolarHBondContact CG-OE2 3.3Å; M1-E5 HydrophobicContact SD-CG 4.49Å; M1-L6 HydrophobicContact CG-CB 4.49Å; M1-L6 HydrophobicContact SD-CB 4.34Å; M1-L6 HydrophobicContact SD-CD1 3.98Å; M1-I9 HydrophobicContact CE-CD1 3.89Å; M1-I9 HydrophobicContact SD-CD1 3.96Å
2N93Very high95.6Very high71 Ų7144.7 Ų44.738%0.3822%0.221SC..  trans-84.7165.8174.371.135.3000110.1K4 E5 L6 Y31N2-K4 PolarHBondContact O-N 3.02Å; N2-K4 WeakPolarHBondContact OD1-CA 3.45Å; N2-K4 WeakPolarHBondContact OD1-CB 3.37Å; N2-K4 PolarHBondContact OD1-N 3.31Å; N2-E5 PolarHBondContact O-N 3.41Å; N2-E5 WeakPolarHBondContact OD1-CB 3.35Å; N2-E5 PolarHBondContact OD1-N 2.76Å; N2-L6 PolarHBondContact O-N 3.01Å; N2-Y31 PolarHBondContact ND2-OH 3Å
3L95.6Very high95.8Very high57 Ų5750.8 Ų50.830%0.29825%0.246SC..Hα-helixtrans-60.4-31.3-177.1-62.2179.4000112.9L6 V7 D118 T214L3-L6 WeakPolarHBondContact O-CB 3.46Å; L3-V7 WeakPolarHBondContact O-CG2 3.48Å; L3-V7 PolarHBondContact O-N 2.75Å; L3-D118 HydrophobicContact CB-CB 3.89Å; L3-D118 HydrophobicContact CD1-CB 4.16Å; L3-T214 WeakPolarHBondContact CD2-O 3.35Å
4K96.4Very high96Very high60 Ų6051.3 Ų51.326%0.26125%0.246SC..Hα-helixtrans-70.9-40.3178.7-67-177.2173.5176.40112.5N2 V7 G8 S27 T28 Y31 D118N2-K4 PolarHBondContact O-N 3.02Å; N2-K4 WeakPolarHBondContact OD1-CA 3.45Å; N2-K4 WeakPolarHBondContact OD1-CB 3.37Å; N2-K4 PolarHBondContact OD1-N 3.31Å; K4-V7 VanDerWaalsContact O-CG2 3.29Å; K4-V7 WeakPolarHBondContact O-CG2 3.3Å; K4-G8 PolarHBondContact O-N 3.37Å; K4-S27 PolarHBondContact NZ-OG 2.78Å; K4-T28 HydrophobicContact CB-CG2 3.96Å; K4-T28 WeakPolarHBondContact CD-OG1 3.4Å; K4-T28 HydrophobicContact CG-CG2 4.13Å; K4-Y31 HydrophobicContact CB-CD2 3.92Å; K4-Y31 HydrophobicContact CB-CE2 3.99Å; K4-D118 WeakPolarHBondContact CE-OD2 3.49Å
5E97.3Very high96.2Very high52 Ų5247.9 Ų47.924%0.24323%0.23CC..Hα-helixtrans-65.3-43.1174.6-175.4173.4-146.200111.1M1 N2 V7 G8 I9 Y31M1-E5 WeakPolarHBondContact CA-OE2 3.21Å; M1-E5 HydrophobicContact CG-CB 3.87Å; M1-E5 HydrophobicContact CG-CG 3.73Å; M1-E5 WeakPolarHBondContact CG-OE2 3.3Å; M1-E5 HydrophobicContact SD-CG 4.49Å; N2-E5 PolarHBondContact O-N 3.41Å; N2-E5 WeakPolarHBondContact OD1-CB 3.35Å; N2-E5 PolarHBondContact OD1-N 2.76Å; E5-V7 PolarHBondContact O-N 3.42Å; E5-G8 PolarHBondContact O-N 3.36Å; E5-I9 HydrophobicContact CG-CD1 3.96Å; E5-I9 WeakPolarHBondContact O-CG1 3.47Å; E5-I9 PolarHBondContact O-N 3.27Å; E5-Y31 HydrophobicContact CB-CD1 3.59Å; E5-Y31 HydrophobicContact CB-CD2 4.26Å; E5-Y31 HydrophobicContact CB-CE1 3.83Å; E5-Y31 HydrophobicContact CB-CE2 4.47Å; E5-Y31 HydrophobicContact CB-CG 3.82Å; E5-Y31 HydrophobicContact CG-CD1 3.62Å; E5-Y31 HydrophobicContact CG-CE1 4.02Å; E5-Y31 HydrophobicContact CG-CG 4.22Å
6L97.3Very high96.4Very high43 Ų4353.3 Ų53.323%0.22525%0.252CS..Hα-helixtrans-55.4-51.4177-174.685.6000111.9M1 N2 L3 I9 E10 P218M1-L6 HydrophobicContact CG-CB 4.49Å; M1-L6 HydrophobicContact SD-CB 4.34Å; M1-L6 HydrophobicContact SD-CD1 3.98Å; N2-L6 PolarHBondContact O-N 3.01Å; L3-L6 WeakPolarHBondContact O-CB 3.46Å; L6-I9 PolarHBondContact O-N 2.76Å; L6-E10 PolarHBondContact O-N 3.34Å; L6-P218 HydrophobicContact CD2-CB 4.12Å; L6-P218 HydrophobicContact CD2-CG 4.27Å; L6-P218 HydrophobicContact CG-CB 4.29Å; L6-P218 HydrophobicContact CG-CG 4.18Å
7V98.3Very high96.5Very high0 Ų056.5 Ų56.50%027%0.271CS..Hα-helixtrans-72.4-32.3-179.4-62.20000113L3 K4 E5 I9 E10 A11 T28 I116 I211 P218L3-V7 WeakPolarHBondContact O-CG2 3.48Å; L3-V7 PolarHBondContact O-N 2.75Å; K4-V7 VanDerWaalsContact O-CG2 3.29Å; K4-V7 WeakPolarHBondContact O-CG2 3.3Å; E5-V7 PolarHBondContact O-N 3.42Å; V7-I9 VanDerWaalsContact C-N 3.33Å; V7-E10 PolarHBondContact O-N 3.03Å; V7-A11 WeakPolarHBondContact O-CB 3.37Å; V7-A11 PolarHBondContact O-N 3.21Å; V7-T28 HydrophobicContact CG2-CG2 3.48Å; V7-T28 VanDerWaalsContact CG2-CG2 3.48Å; V7-I116 HydrophobicContact CB-CB 4.16Å; V7-I116 HydrophobicContact CB-CG2 4.38Å; V7-I116 HydrophobicContact CG2-CB 3.88Å; V7-I211 HydrophobicContact CB-CG2 4.08Å; V7-I211 HydrophobicContact CG1-CG2 3.97Å; V7-P218 HydrophobicContact CG1-CB 4.48Å
8G98Very high96.6Very high0 Ų057.1 Ų57.10%030%0.295CS..Hα-helixtrans-61.1-43.4173.300000111.8K4 E5 A12 L32K4-G8 PolarHBondContact O-N 3.37Å; E5-G8 PolarHBondContact O-N 3.36Å; G8-A12 PolarHBondContact O-N 2.97Å; G8-A12 VanDerWaalsContact O-N 3.11Å; G8-L32 WeakPolarHBondContact O-CD1 3.39Å
9I98.1Very high96.7Very high47 Ų4756.2 Ų56.224%0.24129%0.29CS..Hα-helixtrans-67.6-43.6175.9-66.9166.6000111.3M1 E5 L6 V7 A11 A12 E35M1-I9 HydrophobicContact CE-CD1 3.89Å; M1-I9 HydrophobicContact SD-CD1 3.96Å; E5-I9 HydrophobicContact CG-CD1 3.96Å; E5-I9 WeakPolarHBondContact O-CG1 3.47Å; E5-I9 PolarHBondContact O-N 3.27Å; L6-I9 PolarHBondContact O-N 2.76Å; V7-I9 VanDerWaalsContact C-N 3.33Å; I9-A11 PolarHBondContact O-N 3.15Å; I9-A12 WeakPolarHBondContact O-CB 3.46Å; I9-A12 PolarHBondContact O-N 2.79Å; I9-E35 HydrophobicContact CG1-CB 4.24Å; I9-E35 HydrophobicContact CG1-CG 4.19Å
10E98.2Very high96.8Very high46 Ų4654.6 Ų54.622%0.21528%0.282CS..Hα-helixtrans-62-45.6178.8-169.561.8-146.700111.5L6 V7 A12 K13 I211 P218L6-E10 PolarHBondContact O-N 3.34Å; V7-E10 PolarHBondContact O-N 3.03Å; E10-A12 VanDerWaalsContact C-N 3.31Å; E10-A12 PolarHBondContact O-N 3.41Å; E10-K13 VanDerWaalsContact O-CB 3.3Å; E10-K13 WeakPolarHBondContact O-CB 3.47Å; E10-K13 WeakPolarHBondContact O-CG 3.38Å; E10-K13 PolarHBondContact O-N 3.47Å; E10-K13 WeakPolarHBondContact OE1-CD 3.38Å; E10-K13 IonicContact OE1-NZ 3.12Å; E10-K13 PolarHBondContact OE1-NZ 3.06Å; E10-K13 WeakPolarHBondContact OE2-CE 3.06Å; E10-K13 IonicContact OE2-NZ 2.73Å; E10-K13 PolarHBondContact OE2-NZ 2.74Å; E10-I211 HydrophobicContact CB-CG2 4.16Å; E10-I211 HydrophobicContact CG-CG2 4.08Å; E10-P218 HydrophobicContact CB-CB 3.99Å; E10-P218 HydrophobicContact CB-CG 4.03Å; E10-P218 HydrophobicContact CG-CB 3.91Å; E10-P218 HydrophobicContact CG-CG 3.84Å
11A98.4Very high96.9Very high0 Ų052 Ų520%027%0.269CS..Hα-helixtrans-67-32.1-179.200000112.9V7 I9 K13 F14 L32 I80 I116 I211V7-A11 WeakPolarHBondContact O-CB 3.37Å; V7-A11 PolarHBondContact O-N 3.21Å; I9-A11 PolarHBondContact O-N 3.15Å; A11-K13 PolarHBondContact O-N 3.31Å; A11-K13 VanDerWaalsContact O-N 3.1Å; A11-F14 WeakPolarHBondContact O-CB 3.38Å; A11-F14 PolarHBondContact O-N 3.08Å; A11-L32 HydrophobicContact CB-CD1 4.12Å; A11-I80 HydrophobicContact CB-CD1 4.23Å; A11-I80 HydrophobicContact CB-CG2 3.86Å; A11-I80 WeakPolarHBondContact O-CD1 3.3Å; A11-I116 HydrophobicContact CB-CG2 3.33Å; A11-I211 HydrophobicContact CB-CD1 3.63Å
12A98.6Very high97.9Very high1 Ų144.4 Ų44.41%0.00823%0.231CC..Hα-helixtrans-55.3-31.3175.300000111.7G8 I9 E10 F14 V15 L32 E35 L36 R39G8-A12 PolarHBondContact O-N 2.97Å; G8-A12 VanDerWaalsContact O-N 3.11Å; I9-A12 WeakPolarHBondContact O-CB 3.46Å; I9-A12 PolarHBondContact O-N 2.79Å; E10-A12 VanDerWaalsContact C-N 3.31Å; E10-A12 PolarHBondContact O-N 3.41Å; A12-F14 PolarHBondContact O-N 2.84Å; A12-F14 VanDerWaalsContact O-N 3.12Å; A12-V15 WeakPolarHBondContact O-CB 3.19Å; A12-V15 PolarHBondContact O-N 2.82Å; A12-L32 HydrophobicContact CB-CD1 4.08Å; A12-E35 HydrophobicContact CB-CB 4.17Å; A12-E35 HydrophobicContact CB-CG 3.56Å; A12-L36 HydrophobicContact CB-CD2 3.98Å; A12-L36 HydrophobicContact CB-CG 4.48Å; A12-R39 PolarHBondContact O-NH1 2.59Å
13K98.3Very high98.2Very high125 Ų12541 Ų4154%0.54321%0.213SC..THydrogen-bonded Turntrans-61-20.9179.2-59.7174.4-175.8170.30114.2E10 A11 V15E10-K13 VanDerWaalsContact O-CB 3.3Å; E10-K13 WeakPolarHBondContact O-CB 3.47Å; E10-K13 WeakPolarHBondContact O-CG 3.38Å; E10-K13 PolarHBondContact O-N 3.47Å; E10-K13 WeakPolarHBondContact OE1-CD 3.38Å; E10-K13 IonicContact OE1-NZ 3.12Å; E10-K13 PolarHBondContact OE1-NZ 3.06Å; E10-K13 WeakPolarHBondContact OE2-CE 3.06Å; E10-K13 IonicContact OE2-NZ 2.73Å; E10-K13 PolarHBondContact OE2-NZ 2.74Å; A11-K13 PolarHBondContact O-N 3.31Å; A11-K13 VanDerWaalsContact O-N 3.1Å; K13-V15 VanDerWaalsContact C-N 3.29Å
14F98.5Very high98.3Very high57 Ų5738.3 Ų38.325%0.2520%0.199CC..THydrogen-bonded Turntrans-77.5-17.7176.7-69-94.1000112.6A11 A12 L78 I114 I211A11-F14 WeakPolarHBondContact O-CB 3.38Å; A11-F14 PolarHBondContact O-N 3.08Å; A12-F14 PolarHBondContact O-N 2.84Å; A12-F14 VanDerWaalsContact O-N 3.12Å; F14-L78 HydrophobicContact CB-CD2 3.84Å; F14-I114 HydrophobicContact CB-CD1 3.92Å; F14-I114 HydrophobicContact CD1-CD1 3.89Å; F14-I114 HydrophobicContact CD2-CD1 4.19Å; F14-I114 HydrophobicContact CE1-CD1 4.5Å; F14-I114 HydrophobicContact CG-CD1 3.72Å; F14-I211 HydrophobicContact CD2-CD1 4.08Å; F14-I211 HydrophobicContact CE2-CD1 3.67Å
15V98.8Very high98.3Very high1 Ų136 Ų361%0.00619%0.191CC..  trans-82.3126.8177.9-179.80000110.9A12 K13 V21 L36 R39 L45 I47 L78 I80A12-V15 WeakPolarHBondContact O-CB 3.19Å; A12-V15 PolarHBondContact O-N 2.82Å; K13-V15 VanDerWaalsContact C-N 3.29Å; V15-V21 HydrophobicContact CG1-CG2 3.65Å; V15-V21 HydrophobicContact CG2-CG1 4.03Å; V15-V21 HydrophobicContact CG2-CG2 4.28Å; V15-L36 HydrophobicContact CB-CD2 3.78Å; V15-L36 HydrophobicContact CG1-CD2 3.96Å; V15-L36 HydrophobicContact CG2-CD1 4.39Å; V15-L36 HydrophobicContact CG2-CD2 3.77Å; V15-R39 PolarHBondContact O-NH1 2.63Å; V15-R39 PolarHBondContact O-NH2 3.47Å; V15-L45 HydrophobicContact CG1-CD2 4.13Å; V15-I47 HydrophobicContact CG1-CD1 4.18Å; V15-I47 HydrophobicContact CG1-CG2 3.62Å; V15-L78 HydrophobicContact CG2-CD2 4.25Å; V15-I80 HydrophobicContact CG2-CD1 3.88Å
16K98.7Very high98.2Very high133 Ų13335 Ų3558%0.57819%0.193SC*.  trans-122.8161.2-175.5-58.9176.7-175172.90111.1M19 I47K16-M19 HydrophobicContact CB-CE 4.09Å; K16-M19 HydrophobicContact CB-CG 4.39Å; K16-M19 HydrophobicContact CB-SD 3.96Å; K16-M19 HydrophobicContact CD-CE 4.15Å; K16-M19 HydrophobicContact CG-CE 4.21Å; K16-M19 HydrophobicContact CG-SD 4.42Å; K16-M19 PolarHBondContact N-SD 3.19Å; K16-M19 WeakPolarHBondContact O-CB 3.36Å; K16-M19 WeakPolarHBondContact O-CG 3.39Å; K16-M19 PolarHBondContact O-N 3.03Å; K16-I47 WeakPolarHBondContact O-CG2 3.32Å
17D98.6Very high98.1Very high109 Ų10936.2 Ų36.258%0.58321%0.206SC*.THydrogen-bonded Turntrans-53.9140.6173.8-75.5-42.2000112.1M19 L45 K46D17-M19 VanDerWaalsContact C-N 3.28Å; D17-M19 PolarHBondContact O-N 3.08Å; D17-L45 WeakPolarHBondContact OD1-CA 3.38Å; D17-K46 CarbonylContact C-O 3.5Å; D17-K46 WeakPolarHBondContact CA-O 3.44Å; D17-K46 PolarHBondContact OD1-N 3.05Å
18G98.4Very high98Very high67 Ų6736.9 Ų36.969%0.69121%0.21SC*.THydrogen-bonded Turntrans83.5-6.7179.100000114.9K46G18-K46 PolarHBondContact N-O 3.38Å
19M98.7Very high98Very high40 Ų4036.9 Ų36.920%0.19721%0.21CC..  trans-72.7141.2-178.6-72.8-178.6161.200113K16 D17 V21 I47 T48 D77K16-M19 HydrophobicContact CB-CE 4.09Å; K16-M19 HydrophobicContact CB-CG 4.39Å; K16-M19 HydrophobicContact CB-SD 3.96Å; K16-M19 HydrophobicContact CD-CE 4.15Å; K16-M19 HydrophobicContact CG-CE 4.21Å; K16-M19 HydrophobicContact CG-SD 4.42Å; K16-M19 PolarHBondContact N-SD 3.19Å; K16-M19 WeakPolarHBondContact O-CB 3.36Å; K16-M19 WeakPolarHBondContact O-CG 3.39Å; K16-M19 PolarHBondContact O-N 3.03Å; D17-M19 VanDerWaalsContact C-N 3.28Å; D17-M19 PolarHBondContact O-N 3.08Å; M19-V21 HydrophobicContact CB-CG2 3.84Å; M19-I47 HydrophobicContact CB-CG2 4.38Å; M19-I47 WeakPolarHBondContact O-CA 3.38Å; M19-I47 WeakPolarHBondContact O-CB 3.23Å; M19-T48 PolarHBondContact O-N 3.32Å; M19-D77 WeakPolarHBondContact CA-OD2 3.49Å; M19-D77 HydrophobicContact CB-CB 4.27Å; M19-D77 HydrophobicContact CG-CB 4.14Å
20T98.8Very high98Very high23 Ų2339.8 Ų39.814%0.14122%0.218CC..EExtended strand (participates in β ladder)trans-85.7121.2155.3-57.70000108.3T48 V50 V73 V76 D77 L78T20-T48 CarbonylContact C-O 3.5Å; T20-T48 VanDerWaalsContact CA-O 3.3Å; T20-T48 WeakPolarHBondContact CA-O 3.45Å; T20-V50 HydrophobicContact CG2-CG2 3.76Å; T20-V73 HydrophobicContact CG2-CB 4.21Å; T20-V73 HydrophobicContact CG2-CG1 3.97Å; T20-V73 HydrophobicContact CG2-CG2 4.17Å; T20-V76 HydrophobicContact CG2-CG2 4.21Å; T20-D77 PolarHBondContact N-OD2 3.28Å; T20-D77 WeakPolarHBondContact O-CB 3.33Å; T20-D77 PolarHBondContact O-N 3.1Å; T20-L78 PolarHBondContact O-N 3.34Å
21V98.9Very high98Very high0 Ų040.1 Ų40.10%022%0.218CC..EExtended strand (participates in β ladder)trans-118.3121.8-170.4-172.20000110.3V15 M19 L23 L36 I47 T48 G49 V50 L78V15-V21 HydrophobicContact CG1-CG2 3.65Å; V15-V21 HydrophobicContact CG2-CG1 4.03Å; V15-V21 HydrophobicContact CG2-CG2 4.28Å; M19-V21 HydrophobicContact CB-CG2 3.84Å; V21-L23 HydrophobicContact CB-CD2 4.42Å; V21-L23 HydrophobicContact CG1-CD2 3.95Å; V21-L23 PolarHBondContact O-N 3.29Å; V21-L36 HydrophobicContact CG1-CD1 4.4Å; V21-I47 HydrophobicContact CG2-CB 4.18Å; V21-I47 HydrophobicContact CG2-CD1 4.26Å; V21-I47 HydrophobicContact CG2-CG2 4.13Å; V21-T48 PolarHBondContact N-O 3.44Å; V21-G49 CarbonylContact O-C 3.59Å; V21-G49 WeakPolarHBondContact O-CA 3.33Å; V21-V50 PolarHBondContact O-N 3.48Å; V21-L78 CarbonylContact C-O 3.54Å; V21-L78 VanDerWaalsContact CA-O 3.26Å; V21-L78 WeakPolarHBondContact CA-O 3.4Å
22G98.9Very high98Very high0 Ų040.1 Ų40.10%022%0.218CC..EExtended strand (participates in β ladder)trans-74.3122.1169.600000110.4V50 V76 L78 T79 I80G22-V50 CarbonylContact C-O 3.56Å; G22-V50 WeakPolarHBondContact CA-O 3.41Å; G22-V76 VanDerWaalsContact N-CG1 3.27Å; G22-L78 PolarHBondContact N-O 3.02Å; G22-T79 WeakPolarHBondContact CA-OG1 3.29Å; G22-I80 PolarHBondContact O-N 3.33Å; G22-I80 VanDerWaalsContact O-N 3.1Å
23L98.8Very high98Very high0 Ų040.1 Ų40.10%022%0.218CC..EExtended strand (participates in β ladder)trans-102106.6-177.3-55.9-177.9000109.1V21 V33 L36 V50 V51 T52 T56 A60 I65 L67V21-L23 HydrophobicContact CB-CD2 4.42Å; V21-L23 HydrophobicContact CG1-CD2 3.95Å; V21-L23 PolarHBondContact O-N 3.29Å; L23-V33 HydrophobicContact CB-CG2 4.25Å; L23-V33 HydrophobicContact CD2-CG2 4.49Å; L23-L36 HydrophobicContact CD2-CD1 3.72Å; L23-V50 PolarHBondContact N-O 3.46Å; L23-V51 HydrophobicContact CB-CG1 4.3Å; L23-V51 HydrophobicContact CD1-CG1 4.11Å; L23-T52 WeakPolarHBondContact O-CG2 3.29Å; L23-T52 PolarHBondContact O-N 2.91Å; L23-T52 VanDerWaalsContact O-N 3.12Å; L23-T52 PolarHBondContact O-OG1 3.46Å; L23-T56 HydrophobicContact CB-CG2 3.75Å; L23-A60 HydrophobicContact CD1-CB 3.94Å; L23-I65 HydrophobicContact CD1-CG2 4.37Å; L23-L67 HydrophobicContact CD1-CD2 4.17Å
24G97.5Very high98.1Very high0 Ų038.8 Ų38.80%021%0.212CC..  trans-61.2-179.317900000115.9T52 T56 I80 D81G24-T52 VanDerWaalsContact C-OG1 3.23Å; G24-T52 WeakPolarHBondContact CA-OG1 3.14Å; G24-T56 WeakPolarHBondContact O-CG2 3.41Å; G24-T56 PolarHBondContact O-OG1 3.47Å; G24-I80 PolarHBondContact N-O 3.45Å; G24-I80 VanDerWaalsContact N-O 3.09Å; G24-D81 WeakPolarHBondContact CA-OD1 3.33Å
25T96.8Very high98.1Very high13 Ų1337.5 Ų37.58%0.0821%0.207CC..  trans-124.9149-177.7-67.20000111.7T52 S53 T56 D81 A99 E103T25-T52 PolarHBondContact N-OG1 3.26Å; T25-T52 PolarHBondContact OG1-OG1 3.18Å; T25-S53 WeakPolarHBondContact CG2-OG 3.48Å; T25-S53 VanDerWaalsContact OG1-CB 3.23Å; T25-S53 WeakPolarHBondContact OG1-CB 3.41Å; T25-S53 PolarHBondContact OG1-OG 2.72Å; T25-T56 PolarHBondContact OG1-OG1 3.32Å; T25-D81 PolarHBondContact N-OD1 3.33Å; T25-A99 HydrophobicContact CG2-CB 3.87Å; T25-E103 WeakPolarHBondContact CB-OE1 3.38Å
26G95.5Very high98.1Very high29 Ų2937.5 Ų37.530%0.29921%0.207SC..SBendtrans106.6-179.5173.300000114.7T28 A29 Y30G26-T28 VanDerWaalsContact C-N 3.28Å; G26-T28 PolarHBondContact O-N 2.98Å; G26-A29 PolarHBondContact O-N 3.5Å; G26-Y30 WeakPolarHBondContact O-CB 3.25Å; G26-Y30 PolarHBondContact O-N 2.84Å
27S95.5Very high98.1Very high70 Ų7031.1 Ų31.149%0.4918%0.179SC..THydrogen-bonded Turntrans-64-26.1-167.6600000115K4 Y31K4-S27 PolarHBondContact NZ-OG 2.78Å; S27-Y31 WeakPolarHBondContact O-CD2 3.33Å; S27-Y31 WeakPolarHBondContact O-CE2 3.37Å
28T97.1Very high98.1Very high13 Ų1329.6 Ų29.68%0.0817%0.165CC..THydrogen-bonded Turntrans-83.7-48.3175.5-44.20000110.9K4 V7 G26 Y30 Y31 I116K4-T28 HydrophobicContact CB-CG2 3.96Å; K4-T28 WeakPolarHBondContact CD-OG1 3.4Å; K4-T28 HydrophobicContact CG-CG2 4.13Å; V7-T28 HydrophobicContact CG2-CG2 3.48Å; V7-T28 VanDerWaalsContact CG2-CG2 3.48Å; G26-T28 VanDerWaalsContact C-N 3.28Å; G26-T28 PolarHBondContact O-N 2.98Å; T28-Y30 PolarHBondContact O-N 3.1Å; T28-Y31 PolarHBondContact O-N 3.21Å; T28-I116 HydrophobicContact CG2-CB 4.18Å; T28-I116 HydrophobicContact CG2-CD1 3.85Å; T28-I116 HydrophobicContact CG2-CG1 3.84Å
29A97.5Very high98.1Very high0 Ų028.2 Ų28.20%014%0.139CC..Hα-helixtrans-57.4-32.1175.500000112.7G26 Y31 L32 V33G26-A29 PolarHBondContact O-N 3.5Å; A29-Y31 VanDerWaalsContact C-N 3.25Å; A29-Y31 PolarHBondContact O-N 3.43Å; A29-L32 WeakPolarHBondContact O-CB 3.39Å; A29-L32 PolarHBondContact O-N 3.41Å; A29-L32 VanDerWaalsContact O-N 3.12Å; A29-V33 WeakPolarHBondContact O-CG2 3.26Å; A29-V33 PolarHBondContact O-N 3.19Å
30Y98Very high98.1Very high109 Ų10927.4 Ų27.443%0.42714%0.136SC..Hα-helixtrans-50.2-44172.9176.3-92.1000113G26 T28 V33 K34 Q59G26-Y30 WeakPolarHBondContact O-CB 3.25Å; G26-Y30 PolarHBondContact O-N 2.84Å; T28-Y30 PolarHBondContact O-N 3.1Å; Y30-V33 PolarHBondContact O-N 2.8Å; Y30-K34 WeakPolarHBondContact O-CB 3.19Å; Y30-K34 PolarHBondContact O-N 2.76Å; Y30-Q59 HydrophobicContact CD2-CG 4.42Å; Y30-Q59 VanDerWaalsContact CD2-OE1 3.26Å; Y30-Q59 HydrophobicContact CE2-CG 4.28Å; Y30-Q59 VanDerWaalsContact CE2-NE2 3.33Å; Y30-Q59 PolarHBondContact O-NE2 3.09Å
31Y98.3Very high98.1Very high53 Ų5331.4 Ų31.421%0.20816%0.157CC..Hα-helixtrans-74.1-34.3-178.8-68.7-76.5000112.7N2 K4 E5 S27 T28 A29 K34 E35N2-Y31 PolarHBondContact ND2-OH 3Å; K4-Y31 HydrophobicContact CB-CD2 3.92Å; K4-Y31 HydrophobicContact CB-CE2 3.99Å; E5-Y31 HydrophobicContact CB-CD1 3.59Å; E5-Y31 HydrophobicContact CB-CD2 4.26Å; E5-Y31 HydrophobicContact CB-CE1 3.83Å; E5-Y31 HydrophobicContact CB-CE2 4.47Å; E5-Y31 HydrophobicContact CB-CG 3.82Å; E5-Y31 HydrophobicContact CG-CD1 3.62Å; E5-Y31 HydrophobicContact CG-CE1 4.02Å; E5-Y31 HydrophobicContact CG-CG 4.22Å; S27-Y31 WeakPolarHBondContact O-CD2 3.33Å; S27-Y31 WeakPolarHBondContact O-CE2 3.37Å; T28-Y31 PolarHBondContact O-N 3.21Å; A29-Y31 VanDerWaalsContact C-N 3.25Å; A29-Y31 PolarHBondContact O-N 3.43Å; Y31-K34 PolarHBondContact O-N 2.87Å; Y31-E35 PolarHBondContact O-N 3.22Å
32L98.6Very high98.1Very high0 Ų038 Ų380%019%0.188CC..Hα-helixtrans-59-53170168.678.4000110.4G8 A11 A12 A29 K34 E35 L36 I80 I116G8-L32 WeakPolarHBondContact O-CD1 3.39Å; A11-L32 HydrophobicContact CB-CD1 4.12Å; A12-L32 HydrophobicContact CB-CD1 4.08Å; A29-L32 WeakPolarHBondContact O-CB 3.39Å; A29-L32 PolarHBondContact O-N 3.41Å; A29-L32 VanDerWaalsContact O-N 3.12Å; L32-K34 PolarHBondContact O-N 3.45Å; L32-E35 PolarHBondContact O-N 2.93Å; L32-E35 VanDerWaalsContact O-N 3.08Å; L32-L36 HydrophobicContact CD1-CD1 4.12Å; L32-L36 HydrophobicContact CD1-CG 4.19Å; L32-L36 HydrophobicContact CD2-CD1 4.48Å; L32-L36 HydrophobicContact CG-CD1 4.01Å; L32-L36 HydrophobicContact CG-CG 4.36Å; L32-L36 WeakPolarHBondContact O-CG 3.38Å; L32-L36 PolarHBondContact O-N 3.37Å; L32-I80 HydrophobicContact CD1-CD1 3.97Å; L32-I80 HydrophobicContact CD1-CG2 4.28Å; L32-I80 HydrophobicContact CD2-CB 3.5Å; L32-I80 HydrophobicContact CD2-CD1 4.36Å; L32-I80 HydrophobicContact CD2-CG1 4.47Å; L32-I80 HydrophobicContact CD2-CG2 3.59Å; L32-I80 HydrophobicContact CG-CG2 4.5Å; L32-I116 HydrophobicContact CB-CD1 3.91Å; L32-I116 HydrophobicContact CD2-CD1 4.46Å
33V98.7Very high98Very high0 Ų043 Ų430%021%0.211CC..Hα-helixtrans-60.4-39.6-177.7176.90000110.3L23 A29 Y30 L36 G37 T56 Q59 A60 L63 I65L23-V33 HydrophobicContact CB-CG2 4.25Å; L23-V33 HydrophobicContact CD2-CG2 4.49Å; A29-V33 WeakPolarHBondContact O-CG2 3.26Å; A29-V33 PolarHBondContact O-N 3.19Å; Y30-V33 PolarHBondContact O-N 2.8Å; V33-L36 PolarHBondContact O-N 3.44Å; V33-G37 PolarHBondContact O-N 2.76Å; V33-T56 HydrophobicContact CG2-CG2 4.09Å; V33-Q59 HydrophobicContact CG1-CB 4.46Å; V33-Q59 HydrophobicContact CG1-CG 3.96Å; V33-A60 HydrophobicContact CG1-CB 4.23Å; V33-L63 HydrophobicContact CG1-CD1 4.03Å; V33-L63 WeakPolarHBondContact O-CD1 3.49Å; V33-I65 HydrophobicContact CG1-CD1 4Å
34K98.5Very high98Very high98 Ų9845 Ų4543%0.42623%0.232SC..Hα-helixtrans-59.4-47.7172.9-172.2-178.4177-1700112.5Y30 Y31 L32 G37 R38Y30-K34 WeakPolarHBondContact O-CB 3.19Å; Y30-K34 PolarHBondContact O-N 2.76Å; Y31-K34 PolarHBondContact O-N 2.87Å; L32-K34 PolarHBondContact O-N 3.45Å; K34-G37 PolarHBondContact O-N 2.87Å; K34-R38 PolarHBondContact O-N 3.48Å
35E98.7Very high98.1Very high30 Ų3045.7 Ų45.714%0.1424%0.235CC..Hα-helixtrans-67-39.9179.2178.457.8-163.100112I9 A12 Y31 L32 G37 R38 R39I9-E35 HydrophobicContact CG1-CB 4.24Å; I9-E35 HydrophobicContact CG1-CG 4.19Å; A12-E35 HydrophobicContact CB-CB 4.17Å; A12-E35 HydrophobicContact CB-CG 3.56Å; Y31-E35 PolarHBondContact O-N 3.22Å; L32-E35 PolarHBondContact O-N 2.93Å; L32-E35 VanDerWaalsContact O-N 3.08Å; E35-G37 VanDerWaalsContact C-N 3.32Å; E35-G37 PolarHBondContact O-N 3.36Å; E35-R38 WeakPolarHBondContact O-CB 3.38Å; E35-R38 PolarHBondContact O-N 3.3Å; E35-R38 IonicContact OE1-CZ 3.74Å; E35-R38 IonicContact OE1-NE 3.47Å; E35-R38 PolarHBondContact OE1-NE 2.66Å; E35-R38 VanDerWaalsContact OE1-NE 3.13Å; E35-R38 IonicContact OE1-NH2 3.97Å; E35-R38 PolarHBondContact OE1-NH2 3.34Å; E35-R38 IonicContact OE2-NE 3.37Å; E35-R38 PolarHBondContact OE2-NE 3.38Å; E35-R38 VanDerWaalsContact OE2-NE 3.12Å; E35-R39 WeakPolarHBondContact O-CG 3.3Å; E35-R39 PolarHBondContact O-N 2.68Å
36L98.9Very high98.2Very high0 Ų052.6 Ų52.60%026%0.264CS..Hα-helixtrans-61.3-42.5173.8-68.4178.3000111.3A12 V15 V21 L23 L32 V33 R38 R39 V40 L45 I65A12-L36 HydrophobicContact CB-CD2 3.98Å; A12-L36 HydrophobicContact CB-CG 4.48Å; V15-L36 HydrophobicContact CB-CD2 3.78Å; V15-L36 HydrophobicContact CG1-CD2 3.96Å; V15-L36 HydrophobicContact CG2-CD1 4.39Å; V15-L36 HydrophobicContact CG2-CD2 3.77Å; V21-L36 HydrophobicContact CG1-CD1 4.4Å; L23-L36 HydrophobicContact CD2-CD1 3.72Å; L32-L36 HydrophobicContact CD1-CD1 4.12Å; L32-L36 HydrophobicContact CD1-CG 4.19Å; L32-L36 HydrophobicContact CD2-CD1 4.48Å; L32-L36 HydrophobicContact CG-CD1 4.01Å; L32-L36 HydrophobicContact CG-CG 4.36Å; L32-L36 WeakPolarHBondContact O-CG 3.38Å; L32-L36 PolarHBondContact O-N 3.37Å; V33-L36 PolarHBondContact O-N 3.44Å; L36-R38 VanDerWaalsContact C-N 3.33Å; L36-R38 PolarHBondContact O-N 3.03Å; L36-R39 PolarHBondContact O-N 2.69Å; L36-V40 VanDerWaalsContact O-CG2 3.3Å; L36-V40 WeakPolarHBondContact O-CG2 3.39Å; L36-V40 PolarHBondContact O-N 3.39Å; L36-L45 HydrophobicContact CD2-CD2 4.32Å; L36-I65 HydrophobicContact CB-CD1 4.15Å
37G98.8Very high98.3Very high0 Ų051.6 Ų51.60%025%0.252CS..Hα-helixtrans-57.1-45.1172.700000112.4V33 K34 E35 V40 N41V33-G37 PolarHBondContact O-N 2.76Å; K34-G37 PolarHBondContact O-N 2.87Å; E35-G37 VanDerWaalsContact C-N 3.32Å; E35-G37 PolarHBondContact O-N 3.36Å; G37-V40 PolarHBondContact O-N 3.48Å; G37-N41 PolarHBondContact O-N 2.84Å; G37-N41 VanDerWaalsContact O-N 3.1Å; G37-N41 PolarHBondContact O-ND2 3.45Å
38R98.7Very high98.5Very high76 Ų7650.1 Ų50.129%0.28724%0.24SC..Hα-helixtrans-58.5-49.7174.3-168.6-159.864.673.82.4111.3K34 E35 L36 V40 N41 E42 E43K34-R38 PolarHBondContact O-N 3.48Å; E35-R38 WeakPolarHBondContact O-CB 3.38Å; E35-R38 PolarHBondContact O-N 3.3Å; E35-R38 IonicContact OE1-CZ 3.74Å; E35-R38 IonicContact OE1-NE 3.47Å; E35-R38 PolarHBondContact OE1-NE 2.66Å; E35-R38 VanDerWaalsContact OE1-NE 3.13Å; E35-R38 IonicContact OE1-NH2 3.97Å; E35-R38 PolarHBondContact OE1-NH2 3.34Å; E35-R38 IonicContact OE2-NE 3.37Å; E35-R38 PolarHBondContact OE2-NE 3.38Å; E35-R38 VanDerWaalsContact OE2-NE 3.12Å; L36-R38 VanDerWaalsContact C-N 3.33Å; L36-R38 PolarHBondContact O-N 3.03Å; R38-V40 PolarHBondContact O-N 3.03Å; R38-N41 PolarHBondContact O-N 3.12Å; R38-E42 WeakPolarHBondContact CD-OE2 3.36Å; R38-E42 HydrophobicContact CG-CG 4.07Å; R38-E42 WeakPolarHBondContact CG-OE1 3.45Å; R38-E42 VanDerWaalsContact CG-OE2 3.29Å; R38-E42 WeakPolarHBondContact CG-OE2 3.4Å; R38-E42 IonicContact CZ-OE2 2.71Å; R38-E42 IonicContact NE-OE2 3.66Å; R38-E42 IonicContact NH1-OE2 2.81Å; R38-E42 PolarHBondContact NH1-OE2 3.39Å; R38-E42 WeakPolarHBondContact O-CB 3.44Å; R38-E42 PolarHBondContact O-N 2.89Å; R38-E43 IonicContact CZ-OE1 3.29Å; R38-E43 IonicContact NH1-OE1 3.58Å; R38-E43 PolarHBondContact NH1-OE1 3.28Å; R38-E43 IonicContact NH2-OE1 3.81Å; R38-E43 PolarHBondContact NH2-OE1 2.93Å
39R98.8Very high98.6Very high39 Ų3949.5 Ų49.515%0.14724%0.236CC..Iπ-helixtrans-62.9-38.2-179.9-67.1-176.964.9-147.2-4.5112.9A12 V15 E35 L36 E43 G44 L45A12-R39 PolarHBondContact O-NH1 2.59Å; V15-R39 PolarHBondContact O-NH1 2.63Å; V15-R39 PolarHBondContact O-NH2 3.47Å; E35-R39 WeakPolarHBondContact O-CG 3.3Å; E35-R39 PolarHBondContact O-N 2.68Å; L36-R39 PolarHBondContact O-N 2.69Å; R39-E43 IonicContact CZ-OE2 2.64Å; R39-E43 IonicContact NE-OE2 3.04Å; R39-E43 PolarHBondContact NE-OE2 3.35Å; R39-E43 IonicContact NH2-OE2 2.64Å; R39-E43 CarbonylContact O-C 3.59Å; R39-E43 WeakPolarHBondContact O-CA 3.39Å; R39-E43 VanDerWaalsContact O-CB 3.25Å; R39-E43 WeakPolarHBondContact O-CB 3.32Å; R39-E43 PolarHBondContact O-N 2.84Å; R39-G44 PolarHBondContact O-N 2.69Å; R39-G44 VanDerWaalsContact O-N 3.15Å; R39-L45 HydrophobicContact CB-CB 4.11Å; R39-L45 HydrophobicContact CB-CD2 3.81Å; R39-L45 PolarHBondContact O-N 3.39Å
40V98.8Very high98.6Very high23 Ų2349.6 Ų49.614%0.13924%0.237CC..Iπ-helixtrans-60.2-47.3174168.30000110.7L36 G37 R38 G44 L45 I47 I65L36-V40 VanDerWaalsContact O-CG2 3.3Å; L36-V40 WeakPolarHBondContact O-CG2 3.39Å; L36-V40 PolarHBondContact O-N 3.39Å; G37-V40 PolarHBondContact O-N 3.48Å; R38-V40 PolarHBondContact O-N 3.03Å; V40-G44 WeakPolarHBondContact O-CA 3.39Å; V40-G44 PolarHBondContact O-N 3.29Å; V40-L45 HydrophobicContact CG2-CB 4.42Å; V40-I47 HydrophobicContact CG2-CD1 4.24Å; V40-I47 HydrophobicContact CG2-CG1 4.01Å; V40-I65 HydrophobicContact CG2-CG1 4.48Å
41N98.5Very high98.7Very high107 Ų10745.9 Ų45.957%0.57223%0.225SC*.Iπ-helixtrans-79.3-39.7-174.6-69.6-60.8000114G37 R38 L63G37-N41 PolarHBondContact O-N 2.84Å; G37-N41 VanDerWaalsContact O-N 3.1Å; G37-N41 PolarHBondContact O-ND2 3.45Å; R38-N41 PolarHBondContact O-N 3.12Å; N41-L63 PolarHBondContact ND2-O 3.48Å
42E98.5Very high98.7Very high139 Ų13943.4 Ų43.465%0.6522%0.215SC*.Iπ-helixtrans-96.1-34.8-172.5-63.6179.7-172.900113R38R38-E42 WeakPolarHBondContact CD-OE2 3.36Å; R38-E42 HydrophobicContact CG-CG 4.07Å; R38-E42 WeakPolarHBondContact CG-OE1 3.45Å; R38-E42 VanDerWaalsContact CG-OE2 3.29Å; R38-E42 WeakPolarHBondContact CG-OE2 3.4Å; R38-E42 IonicContact CZ-OE2 2.71Å; R38-E42 IonicContact NE-OE2 3.66Å; R38-E42 IonicContact NH1-OE2 2.81Å; R38-E42 PolarHBondContact NH1-OE2 3.39Å; R38-E42 WeakPolarHBondContact O-CB 3.44Å; R38-E42 PolarHBondContact O-N 2.89Å
43E98.5Very high98.7Very high105 Ų10543.8 Ų43.849%0.49122%0.218SC..Iπ-helixtrans-101.4-11.4-178-55.8174.1-170.800112.4R38 R39 L45R38-E43 IonicContact CZ-OE1 3.29Å; R38-E43 IonicContact NH1-OE1 3.58Å; R38-E43 PolarHBondContact NH1-OE1 3.28Å; R38-E43 IonicContact NH2-OE1 3.81Å; R38-E43 PolarHBondContact NH2-OE1 2.93Å; R39-E43 IonicContact CZ-OE2 2.64Å; R39-E43 IonicContact NE-OE2 3.04Å; R39-E43 PolarHBondContact NE-OE2 3.35Å; R39-E43 IonicContact NH2-OE2 2.64Å; R39-E43 CarbonylContact O-C 3.59Å; R39-E43 WeakPolarHBondContact O-CA 3.39Å; R39-E43 VanDerWaalsContact O-CB 3.25Å; R39-E43 WeakPolarHBondContact O-CB 3.32Å; R39-E43 PolarHBondContact O-N 2.84Å; E43-L45 VanDerWaalsContact C-N 3.29Å
44G98.3Very high98.6Very high42 Ų4246.8 Ų46.843%0.43324%0.239SC..  trans71.324-175.900000113.5R39 V40 K46R39-G44 PolarHBondContact O-N 2.69Å; R39-G44 VanDerWaalsContact O-N 3.15Å; V40-G44 WeakPolarHBondContact O-CA 3.39Å; V40-G44 PolarHBondContact O-N 3.29Å; G44-K46 WeakPolarHBondContact O-CG 3.25Å; G44-K46 PolarHBondContact O-N 3.25Å
45L98.8Very high98.5Very high13 Ų1349.3 Ų49.37%0.06825%0.25CS..  trans-54.8126.9174.9176.869.7000110.1V15 D17 L36 R39 V40 E43 I47V15-L45 HydrophobicContact CG1-CD2 4.13Å; D17-L45 WeakPolarHBondContact OD1-CA 3.38Å; L36-L45 HydrophobicContact CD2-CD2 4.32Å; R39-L45 HydrophobicContact CB-CB 4.11Å; R39-L45 HydrophobicContact CB-CD2 3.81Å; R39-L45 PolarHBondContact O-N 3.39Å; V40-L45 HydrophobicContact CG2-CB 4.42Å; E43-L45 VanDerWaalsContact C-N 3.29Å; L45-I47 HydrophobicContact CD1-CG2 4.21Å; L45-I47 HydrophobicContact CD2-CD1 4.3Å; L45-I47 HydrophobicContact CD2-CG2 4.29Å; L45-I47 HydrophobicContact CG-CG2 4.02Å
46K98.7Very high98.5Very high159 Ų15948.1 Ų48.169%0.69125%0.245SC*.  trans-105101.8-177.9-61.7-175.1-177.4177.70110.7D17 G18 G44D17-K46 CarbonylContact C-O 3.5Å; D17-K46 WeakPolarHBondContact CA-O 3.44Å; D17-K46 PolarHBondContact OD1-N 3.05Å; G18-K46 PolarHBondContact N-O 3.38Å; G44-K46 WeakPolarHBondContact O-CG 3.25Å; G44-K46 PolarHBondContact O-N 3.25Å
47I98.8Very high98.5Very high8 Ų851.5 Ų51.54%0.04126%0.261CS..  trans-134.4164.9177.457.9170.5000111.3V15 K16 M19 V21 V40 L45 I65V15-I47 HydrophobicContact CG1-CD1 4.18Å; V15-I47 HydrophobicContact CG1-CG2 3.62Å; K16-I47 WeakPolarHBondContact O-CG2 3.32Å; M19-I47 HydrophobicContact CB-CG2 4.38Å; M19-I47 WeakPolarHBondContact O-CA 3.38Å; M19-I47 WeakPolarHBondContact O-CB 3.23Å; V21-I47 HydrophobicContact CG2-CB 4.18Å; V21-I47 HydrophobicContact CG2-CD1 4.26Å; V21-I47 HydrophobicContact CG2-CG2 4.13Å; V40-I47 HydrophobicContact CG2-CD1 4.24Å; V40-I47 HydrophobicContact CG2-CG1 4.01Å; L45-I47 HydrophobicContact CD1-CG2 4.21Å; L45-I47 HydrophobicContact CD2-CD1 4.3Å; L45-I47 HydrophobicContact CD2-CG2 4.29Å; L45-I47 HydrophobicContact CG-CG2 4.02Å; I47-I65 HydrophobicContact CD1-CG2 4.39Å
48T98.7Very high98.5Very high39 Ų3957.2 Ų57.224%0.23929%0.288CS..EExtended strand (participates in β ladder)trans-118124.3165.4-58.60000108.9M19 T20 V21 P66 K68M19-T48 PolarHBondContact O-N 3.32Å; T20-T48 CarbonylContact C-O 3.5Å; T20-T48 VanDerWaalsContact CA-O 3.3Å; T20-T48 WeakPolarHBondContact CA-O 3.45Å; V21-T48 PolarHBondContact N-O 3.44Å; T48-P66 CarbonylContact C-O 3.58Å; T48-K68 HydrophobicContact CG2-CB 3.85Å; T48-K68 HydrophobicContact CG2-CD 3.98Å; T48-K68 HydrophobicContact CG2-CG 3.71Å
49G98.8Very high98.5Very high0 Ų054.6 Ų54.60%028%0.279CS..EExtended strand (participates in β ladder)trans-85.6142.4175.500000112.5V21 P66 L67 K68V21-G49 CarbonylContact O-C 3.59Å; V21-G49 WeakPolarHBondContact O-CA 3.33Å; G49-P66 PolarHBondContact N-O 3.47Å; G49-L67 WeakPolarHBondContact O-CA 3.35Å; G49-K68 PolarHBondContact O-N 3.49Å
50V98.8Very high98.5Very high2 Ų252.8 Ų52.81%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-121.5125.2165.2177.80000106.8T20 V21 G22 L23 I70 V73 V76 V106T20-V50 HydrophobicContact CG2-CG2 3.76Å; V21-V50 PolarHBondContact O-N 3.48Å; G22-V50 CarbonylContact C-O 3.56Å; G22-V50 WeakPolarHBondContact CA-O 3.41Å; L23-V50 PolarHBondContact N-O 3.46Å; V50-I70 HydrophobicContact CG1-CB 3.79Å; V50-I70 HydrophobicContact CG1-CG1 4.14Å; V50-V73 HydrophobicContact CG2-CG1 4.36Å; V50-V73 HydrophobicContact CG2-CG2 3.94Å; V50-V76 HydrophobicContact CB-CG2 4.37Å; V50-V76 HydrophobicContact CG2-CG2 4.24Å; V50-V106 HydrophobicContact CG1-CG1 4.4Å; V50-V106 HydrophobicContact CG1-CG2 3.88Å
51V98.6Very high98.5Very high31 Ų3157.5 Ų57.519%0.18829%0.29CS..EExtended strand (participates in β ladder)trans-102149-166.8-64.40000112.3L23 T56 E57 L67L23-V51 HydrophobicContact CB-CG1 4.3Å; L23-V51 HydrophobicContact CD1-CG1 4.11Å; V51-T56 HydrophobicContact CB-CG2 4.32Å; V51-T56 HydrophobicContact CG1-CG2 4.09Å; V51-E57 HydrophobicContact CB-CB 4.41Å; V51-E57 HydrophobicContact CG1-CB 4.48Å; V51-E57 HydrophobicContact CG2-CB 3.85Å; V51-E57 HydrophobicContact CG2-CG 4Å; V51-L67 HydrophobicContact CG1-CD1 4.14Å; V51-L67 HydrophobicContact CG1-CD2 3.86Å
52T98.5Very high98.5Very high0 Ų059.1 Ų59.10%029%0.294CS..SBendtrans-100.60.617965.50000114.3L23 G24 T25 F102 E103 V106L23-T52 WeakPolarHBondContact O-CG2 3.29Å; L23-T52 PolarHBondContact O-N 2.91Å; L23-T52 VanDerWaalsContact O-N 3.12Å; L23-T52 PolarHBondContact O-OG1 3.46Å; G24-T52 VanDerWaalsContact C-OG1 3.23Å; G24-T52 WeakPolarHBondContact CA-OG1 3.14Å; T25-T52 PolarHBondContact N-OG1 3.26Å; T25-T52 PolarHBondContact OG1-OG1 3.18Å; T52-F102 WeakPolarHBondContact O-CB 3.43Å; T52-E103 HydrophobicContact CG2-CB 4.45Å; T52-E103 HydrophobicContact CG2-CG 4.22Å; T52-V106 HydrophobicContact CG2-CB 3.83Å; T52-V106 HydrophobicContact CG2-CG1 4.16Å; T52-V106 HydrophobicContact CG2-CG2 3.86Å
53S98.3Very high98.5Very high8 Ų854.7 Ų54.76%0.05628%0.275CS..SBendtrans-160160.6173.1650000112.3T25 K55 T56 E57 D168T25-S53 WeakPolarHBondContact CG2-OG 3.48Å; T25-S53 VanDerWaalsContact OG1-CB 3.23Å; T25-S53 WeakPolarHBondContact OG1-CB 3.41Å; T25-S53 PolarHBondContact OG1-OG 2.72Å; S53-K55 PolarHBondContact O-N 2.92Å; S53-T56 PolarHBondContact O-N 2.87Å; S53-T56 PolarHBondContact OG-N 3.29Å; S53-T56 VanDerWaalsContact OG-N 3.08Å; S53-T56 PolarHBondContact OG-OG1 3.08Å; S53-E57 PolarHBondContact O-N 3.36Å; S53-D168 VanDerWaalsContact CA-OD2 3.25Å; S53-D168 WeakPolarHBondContact CA-OD2 3.4Å; S53-D168 WeakPolarHBondContact CB-OD2 3.4Å
54S97.4Very high98.5Very high63 Ų6351.7 Ų51.744%0.44127%0.273SS..Hα-helixtrans-58-35.6170.557.60000112.3E57 Q58 D168S54-E57 WeakPolarHBondContact O-CB 3.37Å; S54-E57 PolarHBondContact O-N 2.94Å; S54-Q58 PolarHBondContact O-N 3.28Å; S54-D168 WeakPolarHBondContact CB-OD1 3.05Å; S54-D168 PolarHBondContact N-OD2 3.47Å; S54-D168 PolarHBondContact OG-OD1 2.79Å; S54-D168 PolarHBondContact OG-OD2 3.22Å
55K97.4Very high98.5Very high151 Ų15150 Ų5066%0.65725%0.253SS*.Hα-helixtrans-65.4-45.9176.7-175.5175.9-179.6174.20112.3S53 E57 Q58 Q59S53-K55 PolarHBondContact O-N 2.92Å; K55-E57 VanDerWaalsContact C-N 3.32Å; K55-Q58 PolarHBondContact O-N 2.75Å; K55-Q59 PolarHBondContact O-N 3.18Å
56T98.4Very high98.5Very high5 Ų552.6 Ų52.63%0.03127%0.271CS..Hα-helixtrans-67.9-35.9176.2-64.50000111L23 G24 T25 V33 V51 S53 Q58 Q59 A60L23-T56 HydrophobicContact CB-CG2 3.75Å; G24-T56 WeakPolarHBondContact O-CG2 3.41Å; G24-T56 PolarHBondContact O-OG1 3.47Å; T25-T56 PolarHBondContact OG1-OG1 3.32Å; V33-T56 HydrophobicContact CG2-CG2 4.09Å; V51-T56 HydrophobicContact CB-CG2 4.32Å; V51-T56 HydrophobicContact CG1-CG2 4.09Å; S53-T56 PolarHBondContact O-N 2.87Å; S53-T56 PolarHBondContact OG-N 3.29Å; S53-T56 VanDerWaalsContact OG-N 3.08Å; S53-T56 PolarHBondContact OG-OG1 3.08Å; T56-Q58 PolarHBondContact O-N 3.19Å; T56-Q59 PolarHBondContact O-N 3.12Å; T56-A60 WeakPolarHBondContact O-CB 3.31Å; T56-A60 PolarHBondContact O-N 3.34Å
57E98.5Very high98.5Very high72 Ų7247.3 Ų47.334%0.33625%0.25SS..Hα-helixtrans-56.3-49.7173.8-162-173179.700112.2V51 S53 S54 K55 Q59 A60 K61 L67V51-E57 HydrophobicContact CB-CB 4.41Å; V51-E57 HydrophobicContact CG1-CB 4.48Å; V51-E57 HydrophobicContact CG2-CB 3.85Å; V51-E57 HydrophobicContact CG2-CG 4Å; S53-E57 PolarHBondContact O-N 3.36Å; S54-E57 WeakPolarHBondContact O-CB 3.37Å; S54-E57 PolarHBondContact O-N 2.94Å; K55-E57 VanDerWaalsContact C-N 3.32Å; E57-Q59 PolarHBondContact O-N 3.01Å; E57-A60 PolarHBondContact O-N 3.43Å; E57-K61 HydrophobicContact CG-CD 4.32Å; E57-K61 WeakPolarHBondContact O-CG 3.31Å; E57-K61 PolarHBondContact O-N 2.91Å; E57-K61 WeakPolarHBondContact OE1-CE 3.44Å; E57-K61 IonicContact OE1-NZ 3.87Å; E57-K61 PolarHBondContact OE1-NZ 3.08Å; E57-K61 IonicContact OE2-NZ 2.74Å; E57-L67 HydrophobicContact CG-CD1 3.78Å
58Q98.3Very high98.5Very high120 Ų12052 Ų5256%0.56127%0.27SS*.Hα-helixtrans-58-49.7178.1-177.7-178.9-6.100111.1S54 K55 T56 A60 K61 E62S54-Q58 PolarHBondContact O-N 3.28Å; K55-Q58 PolarHBondContact O-N 2.75Å; T56-Q58 PolarHBondContact O-N 3.19Å; Q58-A60 PolarHBondContact O-N 2.74Å; Q58-K61 PolarHBondContact O-N 2.93Å; Q58-E62 WeakPolarHBondContact CG-OE1 3.48Å; Q58-E62 PolarHBondContact NE2-OE1 3.32Å; Q58-E62 WeakPolarHBondContact O-CG 3.32Å; Q58-E62 PolarHBondContact O-N 2.97Å
59Q98.6Very high98.4Very high21 Ų2152.6 Ų52.610%0.09828%0.279CS..Hα-helixtrans-59.6-46.6-179.8-174.5-170.90.100111.9Y30 V33 K55 T56 E57 K61 E62 L63Y30-Q59 HydrophobicContact CD2-CG 4.42Å; Y30-Q59 VanDerWaalsContact CD2-OE1 3.26Å; Y30-Q59 HydrophobicContact CE2-CG 4.28Å; Y30-Q59 VanDerWaalsContact CE2-NE2 3.33Å; Y30-Q59 PolarHBondContact O-NE2 3.09Å; V33-Q59 HydrophobicContact CG1-CB 4.46Å; V33-Q59 HydrophobicContact CG1-CG 3.96Å; K55-Q59 PolarHBondContact O-N 3.18Å; T56-Q59 PolarHBondContact O-N 3.12Å; E57-Q59 PolarHBondContact O-N 3.01Å; Q59-K61 VanDerWaalsContact C-N 3.33Å; Q59-K61 PolarHBondContact O-N 2.85Å; Q59-E62 PolarHBondContact O-N 2.73Å; Q59-L63 HydrophobicContact CG-CD1 3.92Å; Q59-L63 WeakPolarHBondContact O-CG 3.37Å; Q59-L63 PolarHBondContact O-N 3.12Å; Q59-L63 VanDerWaalsContact O-N 3.1Å
60A98.8Very high98.4Very high0 Ų054.3 Ų54.30%029%0.288CS..Hα-helixtrans-64.7-37.9-17800000111.9L23 V33 T56 E57 Q58 L63 G64 I65 L67L23-A60 HydrophobicContact CD1-CB 3.94Å; V33-A60 HydrophobicContact CG1-CB 4.23Å; T56-A60 WeakPolarHBondContact O-CB 3.31Å; T56-A60 PolarHBondContact O-N 3.34Å; E57-A60 PolarHBondContact O-N 3.43Å; Q58-A60 PolarHBondContact O-N 2.74Å; A60-L63 PolarHBondContact O-N 3.13Å; A60-G64 PolarHBondContact O-N 3.45Å; A60-I65 HydrophobicContact CB-CB 4.23Å; A60-I65 HydrophobicContact CB-CD1 4.28Å; A60-I65 PolarHBondContact O-N 3.47Å; A60-L67 HydrophobicContact CB-CD1 4.1Å; A60-L67 HydrophobicContact CB-CD2 3.9Å; A60-L67 HydrophobicContact CB-CG 4.39Å
61K98.5Very high98.3Very high122 Ų12261.5 Ų61.553%0.5333%0.326SS..Hα-helixtrans-62.6-46.1172.9-74.9175.1-179.1167.90112.1E57 Q58 Q59 L63 G64 L67E57-K61 HydrophobicContact CG-CD 4.32Å; E57-K61 WeakPolarHBondContact O-CG 3.31Å; E57-K61 PolarHBondContact O-N 2.91Å; E57-K61 WeakPolarHBondContact OE1-CE 3.44Å; E57-K61 IonicContact OE1-NZ 3.87Å; E57-K61 PolarHBondContact OE1-NZ 3.08Å; E57-K61 IonicContact OE2-NZ 2.74Å; Q58-K61 PolarHBondContact O-N 2.93Å; Q59-K61 VanDerWaalsContact C-N 3.33Å; Q59-K61 PolarHBondContact O-N 2.85Å; K61-L63 PolarHBondContact O-N 3.02Å; K61-G64 PolarHBondContact O-N 2.9Å; K61-G64 VanDerWaalsContact O-N 3.08Å; K61-L67 HydrophobicContact CG-CD1 3.87Å
62E98.5Very high98.3Very high141 Ų14165.1 Ų65.166%0.65935%0.345SS*.Hα-helixtrans-60.6-31.3178-73.5172.8-172.100112.4Q58 Q59Q58-E62 WeakPolarHBondContact CG-OE1 3.48Å; Q58-E62 PolarHBondContact NE2-OE1 3.32Å; Q58-E62 WeakPolarHBondContact O-CG 3.32Å; Q58-E62 PolarHBondContact O-N 2.97Å; Q59-E62 PolarHBondContact O-N 2.73Å
63L98.6Very high98.2Very high46 Ų4666.4 Ų66.424%0.24135%0.352CS..THydrogen-bonded Turntrans-88.5-0.9178.2-68.2167.8000114.2V33 N41 Q59 A60 K61 I65V33-L63 HydrophobicContact CG1-CD1 4.03Å; V33-L63 WeakPolarHBondContact O-CD1 3.49Å; N41-L63 PolarHBondContact ND2-O 3.48Å; Q59-L63 HydrophobicContact CG-CD1 3.92Å; Q59-L63 WeakPolarHBondContact O-CG 3.37Å; Q59-L63 PolarHBondContact O-N 3.12Å; Q59-L63 VanDerWaalsContact O-N 3.1Å; A60-L63 PolarHBondContact O-N 3.13Å; K61-L63 PolarHBondContact O-N 3.02Å; L63-I65 VanDerWaalsContact C-N 3.35Å; L63-I65 HydrophobicContact CB-CG1 4.37Å; L63-I65 PolarHBondContact O-N 3.23Å
64G98.5Very high97.9Very high43 Ų4375.6 Ų75.644%0.44340%0.395SS..THydrogen-bonded Turntrans73.221.817900000114.8A60 K61 P66A60-G64 PolarHBondContact O-N 3.45Å; K61-G64 PolarHBondContact O-N 2.9Å; K61-G64 VanDerWaalsContact O-N 3.08Å; G64-P66 WeakPolarHBondContact O-CD 3.35Å
65I98.8Very high97.8Very high5 Ų574 Ų743%0.02638%0.384CS..  trans-75.3123.9173.9-59173.1000108.3L23 V33 L36 V40 I47 A60 L63 L67L23-I65 HydrophobicContact CD1-CG2 4.37Å; V33-I65 HydrophobicContact CG1-CD1 4Å; L36-I65 HydrophobicContact CB-CD1 4.15Å; V40-I65 HydrophobicContact CG2-CG1 4.48Å; I47-I65 HydrophobicContact CD1-CG2 4.39Å; A60-I65 HydrophobicContact CB-CB 4.23Å; A60-I65 HydrophobicContact CB-CD1 4.28Å; A60-I65 PolarHBondContact O-N 3.47Å; L63-I65 VanDerWaalsContact C-N 3.35Å; L63-I65 HydrophobicContact CB-CG1 4.37Å; L63-I65 PolarHBondContact O-N 3.23Å; I65-L67 HydrophobicContact CG2-CD2 4.33Å; I65-L67 PolarHBondContact O-N 2.91Å
66P98.6Very high97.9Very high69 Ų6966.9 Ų66.945%0.44835%0.353SS..  trans-61.9132.4175.3-22.333.8000110.9T48 G49 G64T48-P66 CarbonylContact C-O 3.58Å; G49-P66 PolarHBondContact N-O 3.47Å; G64-P66 WeakPolarHBondContact O-CD 3.35Å
67L98.7Very high97.9Very high48 Ų4868.7 Ų68.725%0.25136%0.362SS..BIsolated β-bridgetrans-118.5151-177.8-61.6-176.7000112.1L23 G49 V51 E57 A60 K61 I65L23-L67 HydrophobicContact CD1-CD2 4.17Å; G49-L67 WeakPolarHBondContact O-CA 3.35Å; V51-L67 HydrophobicContact CG1-CD1 4.14Å; V51-L67 HydrophobicContact CG1-CD2 3.86Å; E57-L67 HydrophobicContact CG-CD1 3.78Å; A60-L67 HydrophobicContact CB-CD1 4.1Å; A60-L67 HydrophobicContact CB-CD2 3.9Å; A60-L67 HydrophobicContact CB-CG 4.39Å; K61-L67 HydrophobicContact CG-CD1 3.87Å; I65-L67 HydrophobicContact CG2-CD2 4.33Å; I65-L67 PolarHBondContact O-N 2.91Å
68K98.5Very high97.9Very high105 Ų10565.5 Ų65.546%0.45735%0.348SS..  trans-135.2154.5165.1-78.7-169.9172.4-169.30110.2T48 G49 D72 V73T48-K68 HydrophobicContact CG2-CB 3.85Å; T48-K68 HydrophobicContact CG2-CD 3.98Å; T48-K68 HydrophobicContact CG2-CG 3.71Å; G49-K68 PolarHBondContact O-N 3.49Å; K68-D72 HydrophobicContact CB-CB 4.22Å; K68-D72 HydrophobicContact CD-CB 4.17Å; K68-D72 HydrophobicContact CG-CB 4.48Å; K68-D72 PolarHBondContact NZ-O 2.99Å; K68-V73 HydrophobicContact CB-CG1 3.95Å; K68-V73 HydrophobicContact CD-CG1 3.71Å
69A97.9Very high97.9Very high52 Ų5260.1 Ų60.143%0.4332%0.323SS..  trans-65.8154.7165.900000109.6D71 D72A69-D71 PolarHBondContact O-N 3.1Å; A69-D72 PolarHBondContact O-N 3.19Å
70I97.9Very high97.9Very high37 Ų3759.1 Ų59.119%0.1932%0.318CS..G310 helixtrans-59.4-33.8177.2-166.2174.9000111.8V50 D72 V73 V105 V106 Y109V50-I70 HydrophobicContact CG1-CB 3.79Å; V50-I70 HydrophobicContact CG1-CG1 4.14Å; I70-D72 PolarHBondContact O-N 3.1Å; I70-V73 WeakPolarHBondContact O-CG2 3.34Å; I70-V73 PolarHBondContact O-N 3.12Å; I70-V105 HydrophobicContact CD1-CG1 3.55Å; I70-V105 HydrophobicContact CG2-CG1 4.48Å; I70-V106 HydrophobicContact CD1-CB 4.49Å; I70-V106 HydrophobicContact CD1-CG2 4.03Å; I70-Y109 HydrophobicContact CD1-CD2 3.85Å; I70-Y109 HydrophobicContact CD1-CG 4.47Å
71D97.7Very high97.9Very high152 Ų15259.2 Ų59.281%0.81332%0.319SS*.G310 helixtrans-72-13.7177.9-64.2-33.2000113.7A69A69-D71 PolarHBondContact O-N 3.1Å
72D98Very high97.9Very high107 Ų10753.8 Ų53.857%0.57230%0.297SS*.G310 helixtrans-96.47.5-180-66.8-41.5000113.1K68 A69 I70K68-D72 HydrophobicContact CB-CB 4.22Å; K68-D72 HydrophobicContact CD-CB 4.17Å; K68-D72 HydrophobicContact CG-CB 4.48Å; K68-D72 PolarHBondContact NZ-O 2.99Å; A69-D72 PolarHBondContact O-N 3.19Å; I70-D72 PolarHBondContact O-N 3.1Å
73V96.8Very high97.8Very high27 Ų2747.7 Ų47.716%0.16427%0.269CS..SBendtrans-128144.5176.1-61.50000110.5T20 V50 K68 I70 V76T20-V73 HydrophobicContact CG2-CB 4.21Å; T20-V73 HydrophobicContact CG2-CG1 3.97Å; T20-V73 HydrophobicContact CG2-CG2 4.17Å; V50-V73 HydrophobicContact CG2-CG1 4.36Å; V50-V73 HydrophobicContact CG2-CG2 3.94Å; K68-V73 HydrophobicContact CB-CG1 3.95Å; K68-V73 HydrophobicContact CD-CG1 3.71Å; I70-V73 WeakPolarHBondContact O-CG2 3.34Å; I70-V73 PolarHBondContact O-N 3.12Å; V73-V76 HydrophobicContact CG2-CG2 4.49Å
74E92.3Very high97.8Very high201 Ų20147 Ų4794%0.93927%0.266SS*.SBendtrans-72.5-35.1179-177-179.9-179.200112.2
75S94.7Very high97.8Very high31 Ų3145.2 Ų45.222%0.21725%0.246CC..  trans-161.4154.7-179.662.20000109.9K111S75-K111 WeakPolarHBondContact OG-CE 3.38Å; S75-K111 PolarHBondContact OG-NZ 2.98Å; S75-K111 VanDerWaalsContact OG-NZ 3.08Å
76V98.7Very high97.8Very high1 Ų145 Ų451%0.00625%0.245CC..BIsolated β-bridgetrans-93.7128.8168.1179.60000108.3T20 G22 V50 V73 V106 Y109 S110 K111T20-V76 HydrophobicContact CG2-CG2 4.21Å; G22-V76 VanDerWaalsContact N-CG1 3.27Å; V50-V76 HydrophobicContact CB-CG2 4.37Å; V50-V76 HydrophobicContact CG2-CG2 4.24Å; V73-V76 HydrophobicContact CG2-CG2 4.49Å; V76-V106 HydrophobicContact CG2-CG1 4.46Å; V76-Y109 PolarHBondContact N-O 3.11Å; V76-S110 WeakPolarHBondContact CB-OG 3.4Å; V76-S110 WeakPolarHBondContact CG1-OG 3.46Å; V76-S110 CarbonylContact O-C 3.52Å; V76-S110 VanDerWaalsContact O-CA 3.3Å; V76-S110 WeakPolarHBondContact O-CA 3.36Å; V76-K111 PolarHBondContact O-N 3.41Å
77D98.7Very high97.8Very high43 Ų4341.9 Ų41.923%0.2323%0.225CC..SBendtrans-75.2-40.2-178.1-65-60.1000111.7M19 T20 K111 D112M19-D77 WeakPolarHBondContact CA-OD2 3.49Å; M19-D77 HydrophobicContact CB-CB 4.27Å; M19-D77 HydrophobicContact CG-CB 4.14Å; T20-D77 PolarHBondContact N-OD2 3.28Å; T20-D77 WeakPolarHBondContact O-CB 3.33Å; T20-D77 PolarHBondContact O-N 3.1Å; D77-K111 IonicContact OD1-NZ 3.44Å; D77-K111 PolarHBondContact OD1-NZ 3.01Å; D77-D112 PolarHBondContact O-N 3.38Å
78L98.8Very high97.7Very high5 Ų545 Ų453%0.02624%0.242CC..EExtended strand (participates in β ladder)trans-149.9125.6-178.9172.860.2000110F14 V15 T20 V21 G22 I80 D112 I114F14-L78 HydrophobicContact CB-CD2 3.84Å; V15-L78 HydrophobicContact CG2-CD2 4.25Å; T20-L78 PolarHBondContact O-N 3.34Å; V21-L78 CarbonylContact C-O 3.54Å; V21-L78 VanDerWaalsContact CA-O 3.26Å; V21-L78 WeakPolarHBondContact CA-O 3.4Å; G22-L78 PolarHBondContact N-O 3.02Å; L78-I80 HydrophobicContact CD1-CG1 4.12Å; L78-I80 HydrophobicContact CD2-CD1 3.85Å; L78-I80 HydrophobicContact CD2-CG1 3.95Å; L78-I80 HydrophobicContact CG-CD1 4.25Å; L78-I80 HydrophobicContact CG-CG1 3.79Å; L78-D112 CarbonylContact C-O 3.59Å; L78-D112 WeakPolarHBondContact CA-O 3.5Å; L78-D112 HydrophobicContact CD1-CB 4.01Å; L78-I114 HydrophobicContact CD1-CB 4.43Å; L78-I114 HydrophobicContact CD1-CD1 3.77Å; L78-I114 HydrophobicContact CD1-CG1 3.75Å; L78-I114 HydrophobicContact CD2-CD1 4.26Å
79T98.9Very high97.6Very high6 Ų643.7 Ų43.74%0.03724%0.24CC..EExtended strand (participates in β ladder)trans-102.2133.4165.4-72.30000110.2G22 V106 S110 D112 C113 I114G22-T79 WeakPolarHBondContact CA-OG1 3.29Å; T79-V106 HydrophobicContact CG2-CG1 4.28Å; T79-V106 WeakPolarHBondContact OG1-CG1 3.35Å; T79-S110 WeakPolarHBondContact CB-OG 3.45Å; T79-S110 PolarHBondContact OG1-OG 2.8Å; T79-D112 PolarHBondContact N-O 2.85Å; T79-C113 WeakPolarHBondContact O-CA 3.29Å; T79-I114 PolarHBondContact O-N 3.03Å
80I98.8Very high97.6Very high0 Ų042.9 Ų42.90%023%0.227CC..EExtended strand (participates in β ladder)trans-124.6124.3173.3-47.4177.1000108.7A11 V15 G22 G24 L32 L78 I114 I116A11-I80 HydrophobicContact CB-CD1 4.23Å; A11-I80 HydrophobicContact CB-CG2 3.86Å; A11-I80 WeakPolarHBondContact O-CD1 3.3Å; V15-I80 HydrophobicContact CG2-CD1 3.88Å; G22-I80 PolarHBondContact O-N 3.33Å; G22-I80 VanDerWaalsContact O-N 3.1Å; G24-I80 PolarHBondContact N-O 3.45Å; G24-I80 VanDerWaalsContact N-O 3.09Å; L32-I80 HydrophobicContact CD1-CD1 3.97Å; L32-I80 HydrophobicContact CD1-CG2 4.28Å; L32-I80 HydrophobicContact CD2-CB 3.5Å; L32-I80 HydrophobicContact CD2-CD1 4.36Å; L32-I80 HydrophobicContact CD2-CG1 4.47Å; L32-I80 HydrophobicContact CD2-CG2 3.59Å; L32-I80 HydrophobicContact CG-CG2 4.5Å; L78-I80 HydrophobicContact CD1-CG1 4.12Å; L78-I80 HydrophobicContact CD2-CD1 3.85Å; L78-I80 HydrophobicContact CD2-CG1 3.95Å; L78-I80 HydrophobicContact CG-CD1 4.25Å; L78-I80 HydrophobicContact CG-CG1 3.79Å; I80-I114 VanDerWaalsContact CA-O 3.31Å; I80-I114 WeakPolarHBondContact CA-O 3.42Å; I80-I114 HydrophobicContact CG1-CB 4.32Å; I80-I114 HydrophobicContact CG2-CB 4.4Å; I80-I114 HydrophobicContact CG2-CG2 4.45Å; I80-I116 HydrophobicContact CG2-CD1 4.23Å; I80-I116 HydrophobicContact CG2-CG1 4.27Å; I80-I116 HydrophobicContact CG2-CG2 3.83Å
81D98.6Very high97.6Very high3 Ų341.2 Ų41.22%0.01622%0.218CC..EExtended strand (participates in β ladder)trans-146.4161.8-174.4-156.5-4.4000112.8G24 T25 K94 E103 I114 W115 I116G24-D81 WeakPolarHBondContact CA-OD1 3.33Å; T25-D81 PolarHBondContact N-OD1 3.33Å; D81-K94 IonicContact OD1-NZ 3.38Å; D81-K94 WeakPolarHBondContact OD2-CE 3.26Å; D81-K94 IonicContact OD2-NZ 2.75Å; D81-K94 PolarHBondContact OD2-NZ 3.08Å; D81-E103 WeakPolarHBondContact OD2-CG 3.45Å; D81-I114 PolarHBondContact N-O 2.89Å; D81-I114 VanDerWaalsContact N-O 3.13Å; D81-W115 CarbonylContact O-C 3.6Å; D81-W115 VanDerWaalsContact O-CA 3.26Å; D81-W115 WeakPolarHBondContact O-CA 3.17Å; D81-I116 WeakPolarHBondContact O-CG1 3.28Å; D81-I116 PolarHBondContact O-N 3.05Å
82G97.5Very high97.7Very high7 Ų734 Ų347%0.07218%0.179CC..  trans-81.9170.9167.800000112.4K94 I116G82-K94 PolarHBondContact O-NZ 2.95Å; G82-I116 WeakPolarHBondContact CA-O 3.4Å
83T97.7Very high97.7Very high13 Ų1328.9 Ų28.98%0.0815%0.152CC..  trans-148.3158.7172.8-176.60000110.9E85 I86 I93 K94 W115 V117T83-E85 PolarHBondContact OG1-O 3.31Å; T83-I86 HydrophobicContact CG2-CD1 3.5Å; T83-I86 VanDerWaalsContact CG2-CD1 3.5Å; T83-I86 HydrophobicContact CG2-CG1 3.3Å; T83-I93 PolarHBondContact OG1-O 3.49Å; T83-K94 WeakPolarHBondContact OG1-CG 3.43Å; T83-W115 HydrophobicContact CG2-CB 4.32Å; T83-W115 HydrophobicContact CG2-CD2 3.95Å; T83-W115 HydrophobicContact CG2-CE3 3.67Å; T83-W115 HydrophobicContact CG2-CG 4.28Å; T83-W115 HydrophobicContact CG2-CZ3 4.34Å; T83-V117 HydrophobicContact CG2-CG1 3.33Å
84D98.5Very high97.8Very high32 Ų3227.8 Ų27.817%0.17115%0.145CC..SBendtrans-87.3-36.5-177.2-59.5-64000111.5I93 K94 G95 G96 K121 F129D84-I93 WeakPolarHBondContact CA-O 3.35Å; D84-I93 VanDerWaalsContact CB-O 3.29Å; D84-I93 WeakPolarHBondContact CB-O 3.39Å; D84-I93 PolarHBondContact N-O 2.88Å; D84-K94 WeakPolarHBondContact OD2-CA 3.37Å; D84-G95 PolarHBondContact OD2-N 3.44Å; D84-G96 WeakPolarHBondContact OD2-CA 3.39Å; D84-G96 PolarHBondContact OD2-N 3.33Å; D84-K121 WeakPolarHBondContact O-CD 3.39Å; D84-F129 HydrophobicContact CB-CD1 3.63Å; D84-F129 HydrophobicContact CB-CD2 3.94Å; D84-F129 HydrophobicContact CB-CE1 3.65Å; D84-F129 HydrophobicContact CB-CE2 3.95Å; D84-F129 HydrophobicContact CB-CG 3.78Å; D84-F129 HydrophobicContact CB-CZ 3.81Å
85E98.6Very high98.1Very high6 Ų618.2 Ų18.23%0.02810%0.101CC..EExtended strand (participates in β ladder)trans-144152.7171.1-72.8-173.4159.500111.6T83 G92 I93 K121 V123 L126 G127 N128 F129T83-E85 PolarHBondContact OG1-O 3.31Å; E85-G92 WeakPolarHBondContact O-CA 3.37Å; E85-I93 HydrophobicContact CB-CB 4.36Å; E85-I93 PolarHBondContact N-O 3.42Å; E85-I93 PolarHBondContact O-N 2.85Å; E85-K121 CarbonylContact C-O 3.56Å; E85-K121 WeakPolarHBondContact CA-O 3.46Å; E85-V123 HydrophobicContact CB-CG2 3.99Å; E85-V123 HydrophobicContact CG-CG1 4.24Å; E85-V123 HydrophobicContact CG-CG2 4.24Å; E85-L126 HydrophobicContact CB-CD2 3.78Å; E85-L126 WeakPolarHBondContact OE2-CA 3.4Å; E85-G127 PolarHBondContact OE2-N 2.83Å; E85-N128 WeakPolarHBondContact OE1-CB 3.48Å; E85-N128 PolarHBondContact OE1-N 3.23Å; E85-F129 VanDerWaalsContact CD-CB 3.49Å; E85-F129 HydrophobicContact CG-CB 3.67Å; E85-F129 PolarHBondContact OE1-N 3.06Å
86I98.6Very high98.2Very high0 Ų017.9 Ų17.90%010%0.102CC..EExtended strand (participates in β ladder)trans-134121.8168.8-54.6-179.5000108.5T83 F90 Q91 W115 V117 K121 M122 V123 V210T83-I86 HydrophobicContact CG2-CD1 3.5Å; T83-I86 VanDerWaalsContact CG2-CD1 3.5Å; T83-I86 HydrophobicContact CG2-CG1 3.3Å; I86-F90 HydrophobicContact CG2-CD1 4.36Å; I86-Q91 CarbonylContact C-O 3.53Å; I86-Q91 VanDerWaalsContact CA-O 3.32Å; I86-Q91 WeakPolarHBondContact CA-O 3.48Å; I86-W115 HydrophobicContact CD1-CB 4.33Å; I86-W115 HydrophobicContact CD1-CE3 3.8Å; I86-W115 HydrophobicContact CG1-CE3 3.8Å; I86-W115 HydrophobicContact CG1-CZ3 4.14Å; I86-V117 HydrophobicContact CD1-CG1 3.89Å; I86-V117 HydrophobicContact CD1-CG2 3.98Å; I86-K121 PolarHBondContact N-O 2.67Å; I86-M122 HydrophobicContact CB-CE 4.2Å; I86-M122 HydrophobicContact CB-SD 3.92Å; I86-M122 HydrophobicContact CD1-SD 3.94Å; I86-M122 HydrophobicContact CG1-SD 4.39Å; I86-M122 HydrophobicContact CG2-CE 3.95Å; I86-M122 HydrophobicContact CG2-SD 4.22Å; I86-V123 WeakPolarHBondContact O-CG2 3.21Å; I86-V123 PolarHBondContact O-N 2.49Å; I86-V210 HydrophobicContact CD1-CB 4.4Å; I86-V210 HydrophobicContact CD1-CG1 3.5Å; I86-V210 VanDerWaalsContact CD1-CG1 3.5Å; I86-V210 HydrophobicContact CD1-CG2 3.92Å
87S98.2Very high98.2Very high3 Ų320.3 Ų20.32%0.02113%0.127CC..  trans-79.5166.6174.852.50000113.2D89 F90 Q91 V123S87-D89 VanDerWaalsContact CB-OD1 3.25Å; S87-D89 WeakPolarHBondContact CB-OD1 3.25Å; S87-D89 PolarHBondContact O-N 3.02Å; S87-D89 VanDerWaalsContact O-N 3.11Å; S87-D89 PolarHBondContact OG-OD1 2.86Å; S87-F90 WeakPolarHBondContact O-CA 3.25Å; S87-F90 PolarHBondContact O-N 2.79Å; S87-Q91 PolarHBondContact N-O 3.02Å; S87-Q91 WeakPolarHBondContact OG-CB 3.45Å; S87-Q91 PolarHBondContact OG-N 3.19Å; S87-Q91 PolarHBondContact OG-O 3.13Å; S87-V123 CarbonylContact C-O 3.56Å; S87-V123 VanDerWaalsContact CA-O 3.22Å; S87-V123 WeakPolarHBondContact CA-O 3.43Å
88D96.6Very high98.1Very high113 Ų11318.9 Ų18.960%0.60412%0.122SC*.THydrogen-bonded Turntrans-56.5-26.1177.2-74.7-25.8000113.7V123 N124D88-V123 PolarHBondContact N-O 2.82Å; D88-N124 WeakPolarHBondContact OD2-CA 3.41Å
89D96.3Very high98.1Very high78 Ų7819 Ų1942%0.41712%0.123SC..THydrogen-bonded Turntrans-97.219176.270.3-30.3000113.4S87 Q91S87-D89 VanDerWaalsContact CB-OD1 3.25Å; S87-D89 WeakPolarHBondContact CB-OD1 3.25Å; S87-D89 PolarHBondContact O-N 3.02Å; S87-D89 VanDerWaalsContact O-N 3.11Å; S87-D89 PolarHBondContact OG-OD1 2.86Å; D89-Q91 VanDerWaalsContact C-N 3.27Å; D89-Q91 PolarHBondContact O-N 3.31Å; D89-Q91 PolarHBondContact O-NE2 2.91Å; D89-Q91 WeakPolarHBondContact OD2-CG 3.49Å
90F97.7Very high98.1Very high36 Ų3618.7 Ų18.716%0.15812%0.121CC..SBendtrans60.428.1173.3-58.7-82.2000115.3I86 S87 I207 V210 L221 V223I86-F90 HydrophobicContact CG2-CD1 4.36Å; S87-F90 WeakPolarHBondContact O-CA 3.25Å; S87-F90 PolarHBondContact O-N 2.79Å; F90-I207 HydrophobicContact CB-CD1 4.1Å; F90-I207 HydrophobicContact CB-CG1 4.46Å; F90-I207 HydrophobicContact CD1-CD1 4.34Å; F90-V210 HydrophobicContact CD1-CG2 3.91Å; F90-V210 HydrophobicContact CE1-CG2 4.19Å; F90-L221 HydrophobicContact CE1-CB 4.31Å; F90-L221 HydrophobicContact CE1-CD1 4.47Å; F90-V223 HydrophobicContact CB-CG1 3.9Å; F90-V223 HydrophobicContact CB-CG2 3.97Å; F90-V223 HydrophobicContact CD1-CG2 3.72Å; F90-V223 HydrophobicContact CD2-CB 4.47Å; F90-V223 HydrophobicContact CD2-CG1 3.98Å; F90-V223 HydrophobicContact CD2-CG2 4.3Å; F90-V223 HydrophobicContact CE1-CG2 4.23Å; F90-V223 HydrophobicContact CG-CB 4.36Å; F90-V223 HydrophobicContact CG-CG1 3.99Å; F90-V223 HydrophobicContact CG-CG2 3.74Å
91Q98.2Very high98.1Very high2 Ų220 Ų201%0.00913%0.128CC..  trans-85.2156.5165.3-44.5-52.9-41.300108.5I86 S87 D89 L126 P184 I204 D205I86-Q91 CarbonylContact C-O 3.53Å; I86-Q91 VanDerWaalsContact CA-O 3.32Å; I86-Q91 WeakPolarHBondContact CA-O 3.48Å; S87-Q91 PolarHBondContact N-O 3.02Å; S87-Q91 WeakPolarHBondContact OG-CB 3.45Å; S87-Q91 PolarHBondContact OG-N 3.19Å; S87-Q91 PolarHBondContact OG-O 3.13Å; D89-Q91 VanDerWaalsContact C-N 3.27Å; D89-Q91 PolarHBondContact O-N 3.31Å; D89-Q91 PolarHBondContact O-NE2 2.91Å; D89-Q91 WeakPolarHBondContact OD2-CG 3.49Å; Q91-L126 HydrophobicContact CB-CD1 3.87Å; Q91-P184 HydrophobicContact CB-CG 4.38Å; Q91-P184 HydrophobicContact CG-CG 4.13Å; Q91-I204 HydrophobicContact CB-CD1 4.01Å; Q91-I204 HydrophobicContact CG-CD1 4.4Å; Q91-D205 PolarHBondContact NE2-OD1 3.4Å; Q91-D205 PolarHBondContact OE1-OD1 2.72Å
92G98.6Very high98.1Very high0 Ų023.8 Ų23.80%015%0.145CC..EExtended strand (participates in β ladder)trans-138.6156-179.800000115.4E85 L202 F203E85-G92 WeakPolarHBondContact O-CA 3.37Å; G92-L202 WeakPolarHBondContact O-CA 3.25Å; G92-F203 PolarHBondContact N-O 2.69Å; G92-F203 VanDerWaalsContact N-O 3.11Å; G92-F203 PolarHBondContact O-N 2.9Å
93I98.9Very high98.2Very high0 Ų023.8 Ų23.80%014%0.143CC..EExtended strand (participates in β ladder)trans-103.5125.4162.5-61.9179.5000108.3T83 D84 E85 L126 F129 L131 I181 G201 L202T83-I93 PolarHBondContact OG1-O 3.49Å; D84-I93 WeakPolarHBondContact CA-O 3.35Å; D84-I93 VanDerWaalsContact CB-O 3.29Å; D84-I93 WeakPolarHBondContact CB-O 3.39Å; D84-I93 PolarHBondContact N-O 2.88Å; E85-I93 HydrophobicContact CB-CB 4.36Å; E85-I93 PolarHBondContact N-O 3.42Å; E85-I93 PolarHBondContact O-N 2.85Å; I93-L126 HydrophobicContact CD1-CB 4.09Å; I93-L126 HydrophobicContact CG1-CB 4.25Å; I93-L126 HydrophobicContact CG1-CD1 4.13Å; I93-L126 HydrophobicContact CG1-CD2 4.28Å; I93-L126 HydrophobicContact CG1-CG 4.45Å; I93-F129 HydrophobicContact CG2-CD1 3.79Å; I93-F129 HydrophobicContact CG2-CE1 4.39Å; I93-L131 HydrophobicContact CG2-CD1 4.27Å; I93-I181 HydrophobicContact CD1-CD1 3.91Å; I93-G201 CarbonylContact C-O 3.46Å; I93-G201 VanDerWaalsContact CA-O 3.32Å; I93-G201 WeakPolarHBondContact CA-O 3.47Å; I93-L202 HydrophobicContact CG1-CD2 4.16Å
94K98.8Very high98.2Very high3 Ų324 Ų241%0.01314%0.143CC..  trans-123.9171.4171.1-74.1175.852.454.50110.1D81 G82 T83 D84 E103 W115 P132 G201 F203D81-K94 IonicContact OD1-NZ 3.38Å; D81-K94 WeakPolarHBondContact OD2-CE 3.26Å; D81-K94 IonicContact OD2-NZ 2.75Å; D81-K94 PolarHBondContact OD2-NZ 3.08Å; G82-K94 PolarHBondContact O-NZ 2.95Å; T83-K94 WeakPolarHBondContact OG1-CG 3.43Å; D84-K94 WeakPolarHBondContact OD2-CA 3.37Å; K94-E103 WeakPolarHBondContact CE-OE2 3.35Å; K94-E103 IonicContact NZ-OE1 2.71Å; K94-E103 PolarHBondContact NZ-OE1 2.72Å; K94-E103 IonicContact NZ-OE2 3.42Å; K94-E103 PolarHBondContact NZ-OE2 3.19Å; K94-W115 HydrophobicContact CD-CH2 4.45Å; K94-W115 HydrophobicContact CD-CZ2 3.6Å; K94-W115 HydrophobicContact CG-CZ2 4.42Å; K94-P132 WeakPolarHBondContact O-CD 3.37Å; K94-P132 WeakPolarHBondContact O-CG 3.18Å; K94-G201 PolarHBondContact N-O 2.81Å; K94-G201 WeakPolarHBondContact O-CA 3.45Å; K94-F203 HydrophobicContact CB-CD2 3.7Å; K94-F203 HydrophobicContact CB-CE2 3.53Å; K94-F203 HydrophobicContact CB-CG 4.41Å; K94-F203 HydrophobicContact CB-CZ 4.07Å; K94-F203 HydrophobicContact CD-CB 4.47Å; K94-F203 HydrophobicContact CD-CD1 3.71Å; K94-F203 HydrophobicContact CD-CD2 3.97Å; K94-F203 HydrophobicContact CD-CE1 3.77Å; K94-F203 HydrophobicContact CD-CE2 4.06Å; K94-F203 HydrophobicContact CD-CG 3.8Å; K94-F203 HydrophobicContact CD-CZ 3.94Å; K94-F203 VanDerWaalsContact CE-CE1 3.47Å; K94-F203 HydrophobicContact CG-CD2 4.16Å; K94-F203 HydrophobicContact CG-CE2 4.29Å; K94-F203 HydrophobicContact CG-CG 4.38Å
95G98.4Very high98.2Very high1 Ų125 Ų251%0.0115%0.15CC..  trans102.25.3178.900000115.1D84 G97 A98 R157D84-G95 PolarHBondContact OD2-N 3.44Å; G95-G97 PolarHBondContact O-N 3.22Å; G95-A98 PolarHBondContact O-N 3.22Å; G95-R157 PolarHBondContact O-NH2 2.9Å
96G97.7Very high98.2Very high23 Ų2324.9 Ų24.924%0.23715%0.149CC..THydrogen-bonded Turntrans-54.4-35.7169.500000111.9D84 A98 R157D84-G96 WeakPolarHBondContact OD2-CA 3.39Å; D84-G96 PolarHBondContact OD2-N 3.33Å; G96-A98 VanDerWaalsContact C-N 3.33Å; G96-A98 PolarHBondContact O-N 3.06Å; G96-R157 PolarHBondContact O-NH1 3.04Å
97G97.1Very high98.2Very high52 Ų5225.3 Ų25.354%0.53615%0.153SC..THydrogen-bonded Turntrans-83.36.6173.500000116.3G95 A99G95-G97 PolarHBondContact O-N 3.22Å; G97-A99 VanDerWaalsContact C-N 3.3Å; G97-A99 PolarHBondContact O-N 2.85Å
98A98.3Very high98.2Very high14 Ų1429.1 Ų29.112%0.11618%0.176CC..SBendtrans62.725.2-17900000116.3G95 G96 L165 I173G95-A98 PolarHBondContact O-N 3.22Å; G96-A98 VanDerWaalsContact C-N 3.33Å; G96-A98 PolarHBondContact O-N 3.06Å; A98-L165 HydrophobicContact CB-CD1 3.98Å; A98-L165 HydrophobicContact CB-CD2 3.6Å; A98-L165 HydrophobicContact CB-CG 4.47Å; A98-I173 HydrophobicContact CB-CD1 3.49Å; A98-I173 VanDerWaalsContact CB-CD1 3.49Å
99A98.5Very high98.2Very high7 Ų731.1 Ų31.16%0.05818%0.176CC..  trans-113.211.1-18000000113.8T25 G97 L101 F102 E103T25-A99 HydrophobicContact CG2-CB 3.87Å; G97-A99 VanDerWaalsContact C-N 3.3Å; G97-A99 PolarHBondContact O-N 2.85Å; A99-L101 VanDerWaalsContact C-N 3.26Å; A99-L101 PolarHBondContact O-N 3.12Å; A99-L101 VanDerWaalsContact O-N 3.08Å; A99-F102 PolarHBondContact O-N 2.98Å; A99-E103 HydrophobicContact CB-CG 4.04Å; A99-E103 WeakPolarHBondContact O-CB 3.19Å; A99-E103 VanDerWaalsContact O-CG 3.25Å; A99-E103 WeakPolarHBondContact O-CG 3.45Å; A99-E103 PolarHBondContact O-N 3.21Å
100L98.8Very high98.3Very high0 Ų028.3 Ų28.30%016%0.163CC..Hα-helixtrans-51.9-38.9-169.262159.1000114.6K104 P132 E134 I173 F203L100-K104 WeakPolarHBondContact O-CB 3.41Å; L100-K104 PolarHBondContact O-N 2.81Å; L100-P132 HydrophobicContact CD1-CB 4.46Å; L100-E134 HydrophobicContact CD1-CB 4.35Å; L100-E134 HydrophobicContact CD2-CB 4.26Å; L100-E134 HydrophobicContact CG-CB 4.43Å; L100-I173 HydrophobicContact CD2-CD1 3.68Å; L100-I173 HydrophobicContact CD2-CG1 4.32Å; L100-F203 HydrophobicContact CB-CE2 4.48Å
101L98.8Very high98.3Very high28 Ų2833.1 Ų33.115%0.14718%0.184CC..Hα-helixtrans-63.9-54.2-178.4174.461.3000111A99 E103 K104 V105 E134 V198 E199A99-L101 VanDerWaalsContact C-N 3.26Å; A99-L101 PolarHBondContact O-N 3.12Å; A99-L101 VanDerWaalsContact O-N 3.08Å; L101-E103 VanDerWaalsContact C-N 3.34Å; L101-E103 PolarHBondContact O-N 3.16Å; L101-K104 PolarHBondContact O-N 2.71Å; L101-V105 HydrophobicContact CD1-CG2 4.31Å; L101-V105 VanDerWaalsContact O-CG2 3.32Å; L101-V105 WeakPolarHBondContact O-CG2 3.44Å; L101-V105 PolarHBondContact O-N 3.49Å; L101-E134 VanDerWaalsContact CB-OE2 3.29Å; L101-E134 WeakPolarHBondContact CB-OE2 3.35Å; L101-V198 HydrophobicContact CD1-CG1 4.17Å; L101-V198 HydrophobicContact CD2-CG1 3.9Å; L101-E199 HydrophobicContact CB-CB 4.44Å; L101-E199 HydrophobicContact CD1-CB 3.85Å; L101-E199 HydrophobicContact CD1-CG 4.23Å
102F98.7Very high98.3Very high82 Ų8235.5 Ų35.536%0.3620%0.196SC..Hα-helixtrans-69.4-35-178.6-73.610.2000111.5T52 A99 K104 V105 V106 D168T52-F102 WeakPolarHBondContact O-CB 3.43Å; A99-F102 PolarHBondContact O-N 2.98Å; F102-K104 VanDerWaalsContact C-N 3.34Å; F102-K104 PolarHBondContact O-N 2.79Å; F102-V105 PolarHBondContact O-N 3.43Å; F102-V106 WeakPolarHBondContact O-CG2 3.41Å; F102-V106 PolarHBondContact O-N 2.98Å; F102-D168 HydrophobicContact CD2-CB 4.09Å; F102-D168 HydrophobicContact CE2-CB 3.62Å; F102-D168 HydrophobicContact CZ-CB 4.11Å
103E98.7Very high98.3Very high7 Ų735.9 Ų35.93%0.03320%0.199CC..Hα-helixtrans-56-47.7170.2-70.3174.7168.500111.5T25 T52 D81 K94 A99 L101 A107 F203T25-E103 WeakPolarHBondContact CB-OE1 3.38Å; T52-E103 HydrophobicContact CG2-CB 4.45Å; T52-E103 HydrophobicContact CG2-CG 4.22Å; D81-E103 WeakPolarHBondContact OD2-CG 3.45Å; K94-E103 WeakPolarHBondContact CE-OE2 3.35Å; K94-E103 IonicContact NZ-OE1 2.71Å; K94-E103 PolarHBondContact NZ-OE1 2.72Å; K94-E103 IonicContact NZ-OE2 3.42Å; K94-E103 PolarHBondContact NZ-OE2 3.19Å; A99-E103 HydrophobicContact CB-CG 4.04Å; A99-E103 WeakPolarHBondContact O-CB 3.19Å; A99-E103 VanDerWaalsContact O-CG 3.25Å; A99-E103 WeakPolarHBondContact O-CG 3.45Å; A99-E103 PolarHBondContact O-N 3.21Å; L101-E103 VanDerWaalsContact C-N 3.34Å; L101-E103 PolarHBondContact O-N 3.16Å; E103-A107 VanDerWaalsContact O-CB 3.31Å; E103-A107 WeakPolarHBondContact O-CB 3.44Å; E103-A107 PolarHBondContact O-N 3.36Å; E103-F203 HydrophobicContact CB-CE1 4.27Å; E103-F203 HydrophobicContact CB-CZ 3.85Å
104K98.7Very high98.3Very high18 Ų1835.9 Ų35.98%0.07820%0.199CC..Hα-helixtrans-72-38.9-178.7-155.8176.6-57.6-176.60112.3L100 L101 F102 V106 A107 T108 E199 H200 L202 F203 M206L100-K104 WeakPolarHBondContact O-CB 3.41Å; L100-K104 PolarHBondContact O-N 2.81Å; L101-K104 PolarHBondContact O-N 2.71Å; F102-K104 VanDerWaalsContact C-N 3.34Å; F102-K104 PolarHBondContact O-N 2.79Å; K104-V106 PolarHBondContact O-N 3.1Å; K104-A107 PolarHBondContact O-N 2.87Å; K104-T108 WeakPolarHBondContact O-CB 3.21Å; K104-T108 PolarHBondContact O-N 3.29Å; K104-T108 PolarHBondContact O-OG1 2.93Å; K104-E199 HydrophobicContact CD-CG 4.34Å; K104-E199 WeakPolarHBondContact CD-OE2 3.23Å; K104-E199 WeakPolarHBondContact CE-OE1 3.48Å; K104-E199 VanDerWaalsContact NZ-CD 3.26Å; K104-E199 IonicContact NZ-OE1 3.72Å; K104-E199 PolarHBondContact NZ-OE1 3.07Å; K104-E199 IonicContact NZ-OE2 3.81Å; K104-H200 WeakPolarHBondContact CE-O 3.36Å; K104-H200 PolarHBondContact NZ-ND1 3.13Å; K104-H200 PolarHBondContact NZ-O 3.33Å; K104-L202 PolarHBondContact NZ-O 2.87Å; K104-F203 HydrophobicContact CB-CE1 3.73Å; K104-F203 HydrophobicContact CB-CE2 4.17Å; K104-F203 HydrophobicContact CB-CZ 3.49Å; K104-F203 VanDerWaalsContact CB-CZ 3.49Å; K104-F203 VanDerWaalsContact CE-CE2 3.48Å; K104-F203 HydrophobicContact CG-CD1 4.24Å; K104-F203 HydrophobicContact CG-CE1 3.84Å; K104-F203 HydrophobicContact CG-CE2 4.41Å; K104-F203 HydrophobicContact CG-CZ 3.95Å; K104-M206 HydrophobicContact CD-SD 4.42Å; K104-M206 HydrophobicContact CG-CE 3.93Å; K104-M206 HydrophobicContact CG-SD 3.98Å
105V98.3Very high98.3Very high52 Ų5236.1 Ų36.132%0.31520%0.2SC..Hα-helixtrans-55.8-52.2173.9165.20000110.3I70 L101 F102 A107 T108 Y109I70-V105 HydrophobicContact CD1-CG1 3.55Å; I70-V105 HydrophobicContact CG2-CG1 4.48Å; L101-V105 HydrophobicContact CD1-CG2 4.31Å; L101-V105 VanDerWaalsContact O-CG2 3.32Å; L101-V105 WeakPolarHBondContact O-CG2 3.44Å; L101-V105 PolarHBondContact O-N 3.49Å; F102-V105 PolarHBondContact O-N 3.43Å; V105-A107 PolarHBondContact O-N 3.37Å; V105-T108 PolarHBondContact O-N 2.97Å; V105-Y109 HydrophobicContact CG1-CD2 4.41Å; V105-Y109 HydrophobicContact CG1-CE2 4.47Å; V105-Y109 WeakPolarHBondContact O-CD2 3.43Å; V105-Y109 PolarHBondContact O-N 3.43Å
106V98.6Very high98.3Very high3 Ų336 Ų362%0.01820%0.199CC..Hα-helixtrans-63.6-44179.2174.60000111.5V50 T52 I70 V76 T79 F102 K104 T108 Y109 S110V50-V106 HydrophobicContact CG1-CG1 4.4Å; V50-V106 HydrophobicContact CG1-CG2 3.88Å; T52-V106 HydrophobicContact CG2-CB 3.83Å; T52-V106 HydrophobicContact CG2-CG1 4.16Å; T52-V106 HydrophobicContact CG2-CG2 3.86Å; I70-V106 HydrophobicContact CD1-CB 4.49Å; I70-V106 HydrophobicContact CD1-CG2 4.03Å; V76-V106 HydrophobicContact CG2-CG1 4.46Å; T79-V106 HydrophobicContact CG2-CG1 4.28Å; T79-V106 WeakPolarHBondContact OG1-CG1 3.35Å; F102-V106 WeakPolarHBondContact O-CG2 3.41Å; F102-V106 PolarHBondContact O-N 2.98Å; K104-V106 PolarHBondContact O-N 3.1Å; V106-T108 PolarHBondContact O-N 3.15Å; V106-Y109 PolarHBondContact O-N 3.46Å; V106-S110 PolarHBondContact O-N 2.64Å; V106-S110 PolarHBondContact O-OG 3.33Å
107A98.1Very high98.3Very high9 Ų935 Ų357%0.07419%0.188CC..Hα-helixtrans-61.9-41178.600000112.8E103 K104 V105 Y109 S110 F203 M206E103-A107 VanDerWaalsContact O-CB 3.31Å; E103-A107 WeakPolarHBondContact O-CB 3.44Å; E103-A107 PolarHBondContact O-N 3.36Å; K104-A107 PolarHBondContact O-N 2.87Å; V105-A107 PolarHBondContact O-N 3.37Å; A107-Y109 VanDerWaalsContact C-N 3.31Å; A107-Y109 PolarHBondContact O-N 3.37Å; A107-S110 VanDerWaalsContact O-CB 3.32Å; A107-S110 WeakPolarHBondContact O-CB 3.25Å; A107-S110 PolarHBondContact O-N 3.38Å; A107-S110 VanDerWaalsContact O-N 3.12Å; A107-F203 HydrophobicContact CB-CE1 4.41Å; A107-M206 HydrophobicContact CB-CE 3.75Å
108T97.7Very high98.3Very high83 Ų8333.5 Ų33.551%0.50917%0.168SC..Hα-helixtrans-62.1-36.3178.9-69.40000112.7K104 V105 V106 S110 M206K104-T108 WeakPolarHBondContact O-CB 3.21Å; K104-T108 PolarHBondContact O-N 3.29Å; K104-T108 PolarHBondContact O-OG1 2.93Å; V105-T108 PolarHBondContact O-N 2.97Å; V106-T108 PolarHBondContact O-N 3.15Å; T108-S110 VanDerWaalsContact C-N 3.29Å; T108-M206 WeakPolarHBondContact OG1-CE 3.35Å
109Y97.5Very high98.1Very high155 Ų15537.2 Ų37.261%0.60818%0.183SC*.THydrogen-bonded Turntrans-92.313.7178-64.2-70.7000113.5I70 V76 V105 V106 A107I70-Y109 HydrophobicContact CD1-CD2 3.85Å; I70-Y109 HydrophobicContact CD1-CG 4.47Å; V76-Y109 PolarHBondContact N-O 3.11Å; V105-Y109 HydrophobicContact CG1-CD2 4.41Å; V105-Y109 HydrophobicContact CG1-CE2 4.47Å; V105-Y109 WeakPolarHBondContact O-CD2 3.43Å; V105-Y109 PolarHBondContact O-N 3.43Å; V106-Y109 PolarHBondContact O-N 3.46Å; A107-Y109 VanDerWaalsContact C-N 3.31Å; A107-Y109 PolarHBondContact O-N 3.37Å
110S98.4Very high98Very high20 Ų2040.7 Ų40.714%0.1421%0.207CC..BIsolated β-bridgetrans-93.4141.1175.2-610000112.2V76 T79 V106 A107 T108 D112V76-S110 WeakPolarHBondContact CB-OG 3.4Å; V76-S110 WeakPolarHBondContact CG1-OG 3.46Å; V76-S110 CarbonylContact O-C 3.52Å; V76-S110 VanDerWaalsContact O-CA 3.3Å; V76-S110 WeakPolarHBondContact O-CA 3.36Å; T79-S110 WeakPolarHBondContact CB-OG 3.45Å; T79-S110 PolarHBondContact OG1-OG 2.8Å; V106-S110 PolarHBondContact O-N 2.64Å; V106-S110 PolarHBondContact O-OG 3.33Å; A107-S110 VanDerWaalsContact O-CB 3.32Å; A107-S110 WeakPolarHBondContact O-CB 3.25Å; A107-S110 PolarHBondContact O-N 3.38Å; A107-S110 VanDerWaalsContact O-N 3.12Å; T108-S110 VanDerWaalsContact C-N 3.29Å; S110-D112 VanDerWaalsContact C-N 3.33Å
111K97.9Very high98Very high137 Ų13743.1 Ų43.160%0.59622%0.217SC*.SBendtrans-73.4-29.7172.4-62.2173.5-169.9155.10112.2S75 V76 D77S75-K111 WeakPolarHBondContact OG-CE 3.38Å; S75-K111 PolarHBondContact OG-NZ 2.98Å; S75-K111 VanDerWaalsContact OG-NZ 3.08Å; V76-K111 PolarHBondContact O-N 3.41Å; D77-K111 IonicContact OD1-NZ 3.44Å; D77-K111 PolarHBondContact OD1-NZ 3.01Å
112D98.1Very high97.9Very high51 Ų5144.7 Ų44.727%0.27323%0.225SC..  trans-144145.9-179.9-164.113.6000110.4D77 L78 T79 S110 S208D77-D112 PolarHBondContact O-N 3.38Å; L78-D112 CarbonylContact C-O 3.59Å; L78-D112 WeakPolarHBondContact CA-O 3.5Å; L78-D112 HydrophobicContact CD1-CB 4.01Å; T79-D112 PolarHBondContact N-O 2.85Å; S110-D112 VanDerWaalsContact C-N 3.33Å; D112-S208 WeakPolarHBondContact OD1-CB 3.22Å; D112-S208 PolarHBondContact OD1-OG 3.29Å
113C98.4Very high97.9Very high8 Ų842.2 Ų42.25%0.05422%0.216CC..EExtended strand (participates in β ladder)trans-136.2123.8-178.8-760000110.2T79 M206 I207 S208T79-C113 WeakPolarHBondContact O-CA 3.29Å; C113-M206 WeakPolarHBondContact CB-O 3.4Å; C113-I207 HydrophobicContact CB-CG2 4.15Å; C113-S208 PolarHBondContact O-N 3.31Å; C113-S208 PolarHBondContact O-OG 3.49Å
114I98.6Very high97.8Very high1 Ų148 Ų481%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-115.6130.6175.5-60.5175.9000108.9F14 L78 T79 I80 D81 R209 I211F14-I114 HydrophobicContact CB-CD1 3.92Å; F14-I114 HydrophobicContact CD1-CD1 3.89Å; F14-I114 HydrophobicContact CD2-CD1 4.19Å; F14-I114 HydrophobicContact CE1-CD1 4.5Å; F14-I114 HydrophobicContact CG-CD1 3.72Å; L78-I114 HydrophobicContact CD1-CB 4.43Å; L78-I114 HydrophobicContact CD1-CD1 3.77Å; L78-I114 HydrophobicContact CD1-CG1 3.75Å; L78-I114 HydrophobicContact CD2-CD1 4.26Å; T79-I114 PolarHBondContact O-N 3.03Å; I80-I114 VanDerWaalsContact CA-O 3.31Å; I80-I114 WeakPolarHBondContact CA-O 3.42Å; I80-I114 HydrophobicContact CG1-CB 4.32Å; I80-I114 HydrophobicContact CG2-CB 4.4Å; I80-I114 HydrophobicContact CG2-CG2 4.45Å; D81-I114 PolarHBondContact N-O 2.89Å; D81-I114 VanDerWaalsContact N-O 3.13Å; I114-R209 WeakPolarHBondContact CA-O 3.34Å; I114-R209 HydrophobicContact CG1-CB 4.21Å; I114-I211 HydrophobicContact CG2-CD1 3.85Å; I114-I211 HydrophobicContact CG2-CG1 4.04Å
115W98.7Very high97.8Very high7 Ų752.1 Ų52.13%0.02727%0.265CS..EExtended strand (participates in β ladder)trans-97.5140.2167.3-73.4-10.4000112.6D81 T83 I86 K94 F203 I207 R209 V210 I211D81-W115 CarbonylContact O-C 3.6Å; D81-W115 VanDerWaalsContact O-CA 3.26Å; D81-W115 WeakPolarHBondContact O-CA 3.17Å; T83-W115 HydrophobicContact CG2-CB 4.32Å; T83-W115 HydrophobicContact CG2-CD2 3.95Å; T83-W115 HydrophobicContact CG2-CE3 3.67Å; T83-W115 HydrophobicContact CG2-CG 4.28Å; T83-W115 HydrophobicContact CG2-CZ3 4.34Å; I86-W115 HydrophobicContact CD1-CB 4.33Å; I86-W115 HydrophobicContact CD1-CE3 3.8Å; I86-W115 HydrophobicContact CG1-CE3 3.8Å; I86-W115 HydrophobicContact CG1-CZ3 4.14Å; K94-W115 HydrophobicContact CD-CH2 4.45Å; K94-W115 HydrophobicContact CD-CZ2 3.6Å; K94-W115 HydrophobicContact CG-CZ2 4.42Å; W115-F203 HydrophobicContact CH2-CB 3.6Å; W115-F203 HydrophobicContact CZ2-CB 3.49Å; W115-F203 VanDerWaalsContact CZ2-CB 3.49Å; W115-F203 HydrophobicContact CZ2-CD1 4.03Å; W115-F203 HydrophobicContact CZ2-CG 4.03Å; W115-I207 HydrophobicContact CB-CG2 4.5Å; W115-I207 HydrophobicContact CD2-CD1 4.2Å; W115-I207 HydrophobicContact CD2-CG2 3.46Å; W115-I207 VanDerWaalsContact CD2-CG2 3.46Å; W115-I207 HydrophobicContact CE3-CD1 3.67Å; W115-I207 HydrophobicContact CE3-CG1 4.3Å; W115-I207 HydrophobicContact CE3-CG2 3.99Å; W115-I207 HydrophobicContact CG-CG2 3.67Å; W115-I207 HydrophobicContact CH2-CG2 4.34Å; W115-I207 HydrophobicContact CZ2-CG2 3.86Å; W115-I207 HydrophobicContact CZ3-CD1 4.03Å; W115-I207 HydrophobicContact CZ3-CG1 4.38Å; W115-I207 HydrophobicContact CZ3-CG2 4.4Å; W115-R209 PolarHBondContact N-O 2.81Å; W115-V210 CarbonylContact O-C 3.52Å; W115-V210 WeakPolarHBondContact O-CA 3.39Å; W115-I211 PolarHBondContact O-N 2.64Å
116I98.7Very high97.8Very high0 Ų049.8 Ų49.80%025%0.251CS..EExtended strand (participates in β ladder)trans-116.5123.1176.652.6172.4000110.5V7 A11 T28 L32 I80 D81 G82 I211V7-I116 HydrophobicContact CB-CB 4.16Å; V7-I116 HydrophobicContact CB-CG2 4.38Å; V7-I116 HydrophobicContact CG2-CB 3.88Å; A11-I116 HydrophobicContact CB-CG2 3.33Å; T28-I116 HydrophobicContact CG2-CB 4.18Å; T28-I116 HydrophobicContact CG2-CD1 3.85Å; T28-I116 HydrophobicContact CG2-CG1 3.84Å; L32-I116 HydrophobicContact CB-CD1 3.91Å; L32-I116 HydrophobicContact CD2-CD1 4.46Å; I80-I116 HydrophobicContact CG2-CD1 4.23Å; I80-I116 HydrophobicContact CG2-CG1 4.27Å; I80-I116 HydrophobicContact CG2-CG2 3.83Å; D81-I116 WeakPolarHBondContact O-CG1 3.28Å; D81-I116 PolarHBondContact O-N 3.05Å; G82-I116 WeakPolarHBondContact CA-O 3.4Å; I116-I211 HydrophobicContact CG2-CB 4.21Å; I116-I211 HydrophobicContact CG2-CD1 4.44Å
117V98.1Very high97.8Very high1 Ų149.7 Ų49.71%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-144.3158.3-175.4-66.60000112.1T83 I86 K121 M122 V210 I211 V212 G213T83-V117 HydrophobicContact CG2-CG1 3.33Å; I86-V117 HydrophobicContact CD1-CG1 3.89Å; I86-V117 HydrophobicContact CD1-CG2 3.98Å; V117-K121 HydrophobicContact CB-CB 3.74Å; V117-K121 HydrophobicContact CB-CG 3.86Å; V117-K121 HydrophobicContact CG1-CB 3.81Å; V117-K121 HydrophobicContact CG1-CG 4.01Å; V117-K121 HydrophobicContact CG2-CB 4.29Å; V117-M122 HydrophobicContact CG2-SD 4.15Å; V117-V210 HydrophobicContact CG2-CG1 3.83Å; V117-I211 PolarHBondContact N-O 3.04Å; V117-V212 HydrophobicContact CG2-CB 4.49Å; V117-V212 HydrophobicContact CG2-CG1 4.44Å; V117-V212 HydrophobicContact CG2-CG2 4.09Å; V117-V212 CarbonylContact O-C 3.54Å; V117-V212 WeakPolarHBondContact O-CA 3.38Å; V117-G213 PolarHBondContact O-N 3.17Å
118D96.4Very high97.8Very high20 Ų2055.7 Ų55.711%0.10728%0.281CS..EExtended strand (participates in β ladder)trans-84159.1157.666.589.7000110.4L3 K4 S120 K121L3-D118 HydrophobicContact CB-CB 3.89Å; L3-D118 HydrophobicContact CD1-CB 4.16Å; K4-D118 WeakPolarHBondContact CE-OD2 3.49Å; D118-S120 PolarHBondContact O-N 2.9Å; D118-S120 VanDerWaalsContact OD1-CB 3.23Å; D118-S120 WeakPolarHBondContact OD1-CB 3.44Å; D118-S120 PolarHBondContact OD1-N 2.71Å; D118-S120 PolarHBondContact OD1-OG 3.42Å; D118-K121 WeakPolarHBondContact O-CB 3.4Å; D118-K121 WeakPolarHBondContact O-CG 3.46Å; D118-K121 PolarHBondContact O-N 2.8Å
119E95.3Very high97.9Very high92 Ų9254.2 Ų54.243%0.4327%0.268SS..G310 helixtrans-56.4-21.1-174.267.9-173.7176.700115K121 M122 V212 G213 T214 P215E119-K121 PolarHBondContact O-N 2.86Å; E119-M122 PolarHBondContact O-N 3.32Å; E119-V212 HydrophobicContact CB-CG1 4.03Å; E119-G213 PolarHBondContact N-O 3.24Å; E119-G213 VanDerWaalsContact N-O 3.07Å; E119-T214 HydrophobicContact CB-CG2 4.48Å; E119-P215 WeakPolarHBondContact OE1-CD 3.34Å; E119-P215 WeakPolarHBondContact OE2-CD 3.35Å
120S95.8Very high97.9Very high81 Ų8148.4 Ų48.457%0.56625%0.249SC*.G310 helixtrans-68.2-12.9177.776.60000114.2D118D118-S120 PolarHBondContact O-N 2.9Å; D118-S120 VanDerWaalsContact OD1-CB 3.23Å; D118-S120 WeakPolarHBondContact OD1-CB 3.44Å; D118-S120 PolarHBondContact OD1-N 2.71Å; D118-S120 PolarHBondContact OD1-OG 3.42Å
121K97.7Very high98Very high51 Ų5147.6 Ų47.622%0.22224%0.243CC..G310 helixtrans-88.7-12.2180-52.2-65.8164.3-172.80113.3D84 E85 I86 V117 D118 E119D84-K121 WeakPolarHBondContact O-CD 3.39Å; E85-K121 CarbonylContact C-O 3.56Å; E85-K121 WeakPolarHBondContact CA-O 3.46Å; I86-K121 PolarHBondContact N-O 2.67Å; V117-K121 HydrophobicContact CB-CB 3.74Å; V117-K121 HydrophobicContact CB-CG 3.86Å; V117-K121 HydrophobicContact CG1-CB 3.81Å; V117-K121 HydrophobicContact CG1-CG 4.01Å; V117-K121 HydrophobicContact CG2-CB 4.29Å; D118-K121 WeakPolarHBondContact O-CB 3.4Å; D118-K121 WeakPolarHBondContact O-CG 3.46Å; D118-K121 PolarHBondContact O-N 2.8Å; E119-K121 PolarHBondContact O-N 2.86Å
122M97.7Very high98Very high61 Ų6141 Ų4130%0.322%0.215SC..BIsolated β-bridgetrans-81.9119.1175.1-56.7-58-58.400108.9I86 V117 E119 V210 V212 L221I86-M122 HydrophobicContact CB-CE 4.2Å; I86-M122 HydrophobicContact CB-SD 3.92Å; I86-M122 HydrophobicContact CD1-SD 3.94Å; I86-M122 HydrophobicContact CG1-SD 4.39Å; I86-M122 HydrophobicContact CG2-CE 3.95Å; I86-M122 HydrophobicContact CG2-SD 4.22Å; V117-M122 HydrophobicContact CG2-SD 4.15Å; E119-M122 PolarHBondContact O-N 3.32Å; M122-V210 HydrophobicContact SD-CG1 4.3Å; M122-V212 HydrophobicContact CG-CG1 4.13Å; M122-V212 HydrophobicContact CG-CG2 4.19Å; M122-V212 HydrophobicContact SD-CG2 3.85Å; M122-L221 HydrophobicContact CE-CD1 4.3Å
123V98.3Very high98Very high30 Ų3038.6 Ų38.618%0.18220%0.202CC..  trans-128.2155.1-177.7-63.50000110.3E85 I86 S87 D88 K125 L126E85-V123 HydrophobicContact CB-CG2 3.99Å; E85-V123 HydrophobicContact CG-CG1 4.24Å; E85-V123 HydrophobicContact CG-CG2 4.24Å; I86-V123 WeakPolarHBondContact O-CG2 3.21Å; I86-V123 PolarHBondContact O-N 2.49Å; S87-V123 CarbonylContact C-O 3.56Å; S87-V123 VanDerWaalsContact CA-O 3.22Å; S87-V123 WeakPolarHBondContact CA-O 3.43Å; D88-V123 PolarHBondContact N-O 2.82Å; V123-K125 VanDerWaalsContact CG2-O 3.28Å; V123-K125 WeakPolarHBondContact CG2-O 3.42Å; V123-L126 HydrophobicContact CG2-CD2 4.22Å
124N97.6Very high98.1Very high128 Ų12838.4 Ų38.468%0.68420%0.2SC*.SBendtrans-69.3-43.2177.2-60.8-9.7000111.2D88D88-N124 WeakPolarHBondContact OD2-CA 3.41Å
125K98.4Very high98.1Very high104 Ų10438.3 Ų38.345%0.45220%0.2SC..SBendtrans-135146.5176.8-72.7-174.8171.4-177.40109.5V123 V180 E182V123-K125 VanDerWaalsContact CG2-O 3.28Å; V123-K125 WeakPolarHBondContact CG2-O 3.42Å; K125-V180 HydrophobicContact CB-CG1 4.29Å; K125-V180 HydrophobicContact CD-CG1 3.8Å; K125-E182 IonicContact NZ-OE1 3.44Å; K125-E182 PolarHBondContact NZ-OE1 3.31Å; K125-E182 IonicContact NZ-OE2 2.8Å; K125-E182 PolarHBondContact NZ-OE2 2.81Å
126L98.8Very high98.1Very high3 Ų340.2 Ų40.22%0.01621%0.212CC..SBendtrans-67.3156.8173.2-59.5-177.7000111.3E85 Q91 I93 V123 V180 I181 P184 L202E85-L126 HydrophobicContact CB-CD2 3.78Å; E85-L126 WeakPolarHBondContact OE2-CA 3.4Å; Q91-L126 HydrophobicContact CB-CD1 3.87Å; I93-L126 HydrophobicContact CD1-CB 4.09Å; I93-L126 HydrophobicContact CG1-CB 4.25Å; I93-L126 HydrophobicContact CG1-CD1 4.13Å; I93-L126 HydrophobicContact CG1-CD2 4.28Å; I93-L126 HydrophobicContact CG1-CG 4.45Å; V123-L126 HydrophobicContact CG2-CD2 4.22Å; L126-V180 CarbonylContact O-C 3.56Å; L126-V180 WeakPolarHBondContact O-CA 3.48Å; L126-I181 HydrophobicContact CB-CB 4.27Å; L126-I181 HydrophobicContact CB-CD1 4.24Å; L126-I181 PolarHBondContact O-N 2.84Å; L126-P184 HydrophobicContact CD1-CB 4.2Å; L126-L202 HydrophobicContact CD1-CD2 3.88Å
127G98.5Very high98.1Very high1 Ų142.7 Ų42.71%0.0123%0.228CC..  trans123.2-8.4162.900000115.6E85 F129 E179E85-G127 PolarHBondContact OE2-N 2.83Å; G127-F129 CarbonylContact C-O 3.54Å; G127-E179 CarbonylContact C-O 3.17Å; G127-E179 CarbonylContact O-C 3.57Å; G127-E179 VanDerWaalsContact O-C 3.31Å; G127-E179 WeakPolarHBondContact O-CA 3.29Å; G127-E179 PolarHBondContact O-N 3.4Å
128N97.8Very high98.1Very high135 Ų13551.9 Ų51.972%0.72227%0.268SS*.SBendtrans-71.8-37174.1174.573.4000110.4E85 E179E85-N128 WeakPolarHBondContact OE1-CB 3.48Å; E85-N128 PolarHBondContact OE1-N 3.23Å; N128-E179 PolarHBondContact N-O 2.92Å
129F98.7Very high98.2Very high53 Ų5352.4 Ų52.423%0.23228%0.278CS..SBendtrans-74.2130.8162.9-167.4-90.4000110.3D84 E85 I93 G127 L131 P132D84-F129 HydrophobicContact CB-CD1 3.63Å; D84-F129 HydrophobicContact CB-CD2 3.94Å; D84-F129 HydrophobicContact CB-CE1 3.65Å; D84-F129 HydrophobicContact CB-CE2 3.95Å; D84-F129 HydrophobicContact CB-CG 3.78Å; D84-F129 HydrophobicContact CB-CZ 3.81Å; E85-F129 VanDerWaalsContact CD-CB 3.49Å; E85-F129 HydrophobicContact CG-CB 3.67Å; E85-F129 PolarHBondContact OE1-N 3.06Å; I93-F129 HydrophobicContact CG2-CD1 3.79Å; I93-F129 HydrophobicContact CG2-CE1 4.39Å; G127-F129 CarbonylContact C-O 3.54Å; F129-L131 PolarHBondContact O-N 3.3Å; F129-P132 HydrophobicContact CE1-CG 4.28Å
130P98.8Very high98.3Very high33 Ų3348.1 Ų48.121%0.21426%0.258CS..  trans-59.1131.3178.2-23.433.9000111.3P132 D175 L176P130-P132 WeakPolarHBondContact O-CD 3.14Å; P130-D175 HydrophobicContact CB-CB 3.94Å; P130-L176 CarbonylContact C-O 3.46Å; P130-L176 WeakPolarHBondContact CA-O 3.4Å
131L99Very high98.5Very high2 Ų249.2 Ų49.21%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-74.7113.4-179.5171.259.6000110.1I93 F129 V133 L176 L178 I181 L187 L191 L202I93-L131 HydrophobicContact CG2-CD1 4.27Å; F129-L131 PolarHBondContact O-N 3.3Å; L131-V133 HydrophobicContact CG-CG2 4.36Å; L131-L176 HydrophobicContact CB-CB 4.29Å; L131-L176 HydrophobicContact CD2-CD1 4.47Å; L131-L176 PolarHBondContact N-O 3.36Å; L131-L176 PolarHBondContact O-N 3.14Å; L131-L178 HydrophobicContact CB-CD1 4.34Å; L131-L178 HydrophobicContact CD2-CD1 4.11Å; L131-I181 HydrophobicContact CD2-CD1 4.35Å; L131-L187 HydrophobicContact CD2-CD2 3.83Å; L131-L187 HydrophobicContact CD2-CG 4.47Å; L131-L191 HydrophobicContact CD2-CD1 3.87Å; L131-L202 HydrophobicContact CD1-CD2 4.25Å; L131-L202 HydrophobicContact CD1-CG 3.74Å; L131-L202 HydrophobicContact CD2-CD1 3.91Å; L131-L202 HydrophobicContact CD2-CG 3.94Å
132P99Very high98.5Very high0 Ų051.6 Ų51.60%027%0.269CS..EExtended strand (participates in β ladder)trans-73.2137.2176.9-17.134.9000110.5K94 L100 F129 P130 I173 H200 G201K94-P132 WeakPolarHBondContact O-CD 3.37Å; K94-P132 WeakPolarHBondContact O-CG 3.18Å; L100-P132 HydrophobicContact CD1-CB 4.46Å; F129-P132 HydrophobicContact CE1-CG 4.28Å; P130-P132 WeakPolarHBondContact O-CD 3.14Å; P132-I173 HydrophobicContact CB-CG2 3.99Å; P132-H200 CarbonylContact O-C 3.58Å; P132-G201 PolarHBondContact O-N 2.88Å
133V99Very high98.6Very high0 Ų049 Ų490%026%0.257CS..EExtended strand (participates in β ladder)trans-130117.4174.5-175.90000108.8L131 V135 F147 I173 I174 L176 L191 V197 H200L131-V133 HydrophobicContact CG-CG2 4.36Å; V133-V135 HydrophobicContact CG1-CG1 4.04Å; V133-F147 HydrophobicContact CB-CE2 4.47Å; V133-F147 HydrophobicContact CG1-CE2 4.2Å; V133-F147 HydrophobicContact CG1-CZ 4.2Å; V133-I173 CarbonylContact O-C 3.57Å; V133-I173 WeakPolarHBondContact O-CA 3.33Å; V133-I174 PolarHBondContact N-O 2.69Å; V133-I174 PolarHBondContact O-N 3.38Å; V133-L176 HydrophobicContact CG2-CD1 3.77Å; V133-L176 HydrophobicContact CG2-CG 3.98Å; V133-L191 HydrophobicContact CG2-CD1 4.19Å; V133-V197 HydrophobicContact CG1-CB 4.35Å; V133-V197 HydrophobicContact CG1-CG1 3.66Å; V133-V197 HydrophobicContact CG1-CG2 3.83Å; V133-H200 HydrophobicContact CG2-CB 4.3Å
134E98.9Very high98.6Very high3 Ų349 Ų491%0.01426%0.255CS..EExtended strand (participates in β ladder)trans-80.9127.2176.7-169163.5158.500109.5L100 L101 T167 H171 Y172 V198 E199L100-E134 HydrophobicContact CD1-CB 4.35Å; L100-E134 HydrophobicContact CD2-CB 4.26Å; L100-E134 HydrophobicContact CG-CB 4.43Å; L101-E134 VanDerWaalsContact CB-OE2 3.29Å; L101-E134 WeakPolarHBondContact CB-OE2 3.35Å; E134-T167 HydrophobicContact CG-CG2 4.08Å; E134-T167 PolarHBondContact OE1-OG1 2.92Å; E134-H171 HydrophobicContact CG-CB 3.5Å; E134-H171 VanDerWaalsContact CG-CB 3.5Å; E134-H171 WeakPolarHBondContact OE1-CB 3.43Å; E134-H171 IonicContact OE1-CE1 2.63Å; E134-H171 IonicContact OE1-CG 3.91Å; E134-H171 IonicContact OE1-ND1 2.76Å; E134-H171 PolarHBondContact OE1-ND1 3.37Å; E134-Y172 CarbonylContact C-O 3.54Å; E134-Y172 WeakPolarHBondContact CA-O 3.11Å; E134-V198 HydrophobicContact CB-CB 4.48Å; E134-V198 HydrophobicContact CG-CB 4.36Å; E134-V198 PolarHBondContact O-N 2.85Å; E134-E199 PolarHBondContact N-O 2.96Å; E134-E199 PolarHBondContact O-N 3.42Å
135V98.9Very high98.7Very high0 Ų048.9 Ų48.90%025%0.245CC..EExtended strand (participates in β ladder)trans-130.8141.6-173.1-600000111.8V133 V143 W156 H171 Y172 I174 G196 V197V133-V135 HydrophobicContact CG1-CG1 4.04Å; V135-V143 HydrophobicContact CG1-CG1 3.95Å; V135-W156 HydrophobicContact CG2-CZ3 4.21Å; V135-H171 WeakPolarHBondContact O-CB 3.25Å; V135-Y172 PolarHBondContact N-O 2.74Å; V135-Y172 PolarHBondContact O-N 2.84Å; V135-I174 HydrophobicContact CG1-CD1 4.09Å; V135-I174 HydrophobicContact CG1-CG1 4.42Å; V135-I174 HydrophobicContact CG2-CD1 3.98Å; V135-I174 HydrophobicContact CG2-CG1 3.99Å; V135-G196 CarbonylContact C-O 3.51Å; V135-G196 VanDerWaalsContact CA-O 3.25Å; V135-G196 WeakPolarHBondContact CA-O 3.1Å; V135-V197 HydrophobicContact CG1-CG2 4.3Å
136V98.6Very high98.7Very high46 Ų4647.3 Ų47.328%0.27924%0.241SC..  trans-61.1139.6176.1-58.70000110.3F138 S140 G196 V198V136-F138 VanDerWaalsContact C-N 3.29Å; V136-F138 WeakPolarHBondContact CG2-O 3.46Å; V136-F138 PolarHBondContact O-N 3.18Å; V136-S140 VanDerWaalsContact O-CB 3.29Å; V136-S140 WeakPolarHBondContact O-CB 3.5Å; V136-G196 PolarHBondContact N-O 3.47Å; V136-V198 HydrophobicContact CB-CG2 4.46Å; V136-V198 HydrophobicContact CG1-CG2 3.42Å; V136-V198 VanDerWaalsContact CG1-CG2 3.42Å
137P98.7Very high98.7Very high52 Ų5247.2 Ų47.234%0.33824%0.24SC..SBendtrans-59.6-38.2179.3-29.636.8000113.6G139 S140 G170 Y172P137-G139 PolarHBondContact O-N 2.9Å; P137-S140 PolarHBondContact O-N 2.82Å; P137-S140 PolarHBondContact O-OG 3.47Å; P137-G170 WeakPolarHBondContact CG-O 3.44Å; P137-Y172 HydrophobicContact CB-CD2 4.13Å; P137-Y172 HydrophobicContact CB-CE2 3.61Å; P137-Y172 HydrophobicContact CG-CD2 4.34Å; P137-Y172 HydrophobicContact CG-CE2 4.12Å
138F98.5Very high98.7Very high195 Ų19552.2 Ų52.286%0.85526%0.263SS*.THydrogen-bonded Turntrans-72.4110.1-179.4179.7-100.9000111.3V136 S140V136-F138 VanDerWaalsContact C-N 3.29Å; V136-F138 WeakPolarHBondContact CG2-O 3.46Å; V136-F138 PolarHBondContact O-N 3.18Å; F138-S140 VanDerWaalsContact C-N 3.34Å
139G98Very high98.7Very high31 Ų3150.2 Ų50.232%0.3226%0.26SS..THydrogen-bonded Turntrans84.65.6-179.300000114.4P137 H141 N142 V143P137-G139 PolarHBondContact O-N 2.9Å; G139-H141 PolarHBondContact O-N 3.31Å; G139-N142 WeakPolarHBondContact O-CB 3.29Å; G139-N142 PolarHBondContact O-N 3.41Å; G139-V143 PolarHBondContact O-N 2.8Å
140S98.6Very high98.7Very high1 Ų151.7 Ų51.71%0.00727%0.267CS..Hα-helixtrans-50.7-34.9179.669.40000113.6V136 P137 F138 N142 V143 F144 W156V136-S140 VanDerWaalsContact O-CB 3.29Å; V136-S140 WeakPolarHBondContact O-CB 3.5Å; P137-S140 PolarHBondContact O-N 2.82Å; P137-S140 PolarHBondContact O-OG 3.47Å; F138-S140 VanDerWaalsContact C-N 3.34Å; S140-N142 VanDerWaalsContact C-N 3.31Å; S140-N142 PolarHBondContact O-N 2.86Å; S140-V143 WeakPolarHBondContact O-CB 3.49Å; S140-V143 PolarHBondContact O-N 3.04Å; S140-F144 PolarHBondContact O-N 2.91Å; S140-W156 WeakPolarHBondContact OG-CH2 3.35Å
141H98.6Very high98.7Very high104 Ų10452.5 Ų52.548%0.48128%0.281SS..Hα-helixtrans-69.9-25.6178.5-67.761.5000113.2G139 R145G139-H141 PolarHBondContact O-N 3.31Å; H141-R145 WeakPolarHBondContact O-CG 3.36Å; H141-R145 VanDerWaalsContact O-CZ 3.32Å; H141-R145 PolarHBondContact O-N 3.23Å; H141-R145 VanDerWaalsContact O-N 3.14Å; H141-R145 PolarHBondContact O-NH1 2.74Å
142N98.7Very high98.6Very high101 Ų10154.2 Ų54.254%0.5429%0.287SS..Hα-helixtrans-72.1-40.5170.3-74.6-64000110.8G139 S140 F144 R145 L146G139-N142 WeakPolarHBondContact O-CB 3.29Å; G139-N142 PolarHBondContact O-N 3.41Å; S140-N142 VanDerWaalsContact C-N 3.31Å; S140-N142 PolarHBondContact O-N 2.86Å; N142-F144 VanDerWaalsContact C-N 3.32Å; N142-R145 VanDerWaalsContact CG-NH2 3.25Å; N142-R145 PolarHBondContact O-N 2.77Å; N142-R145 PolarHBondContact OD1-NH2 3.26Å; N142-L146 WeakPolarHBondContact O-CB 3.43Å; N142-L146 PolarHBondContact O-N 2.84Å
143V98.8Very high98.6Very high8 Ų859.6 Ų59.65%0.04831%0.311CS..Hα-helixtrans-60.8-44.3174.2-1780000110.1V135 G139 S140 R145 L146 F147 I174 V197V135-V143 HydrophobicContact CG1-CG1 3.95Å; G139-V143 PolarHBondContact O-N 2.8Å; S140-V143 WeakPolarHBondContact O-CB 3.49Å; S140-V143 PolarHBondContact O-N 3.04Å; V143-R145 PolarHBondContact O-N 2.78Å; V143-L146 WeakPolarHBondContact O-CB 3.48Å; V143-L146 PolarHBondContact O-N 2.82Å; V143-F147 HydrophobicContact CG1-CD2 3.96Å; V143-F147 HydrophobicContact CG1-CE1 4.4Å; V143-F147 HydrophobicContact CG1-CE2 3.44Å; V143-F147 VanDerWaalsContact CG1-CE2 3.44Å; V143-F147 HydrophobicContact CG1-CZ 3.69Å; V143-F147 WeakPolarHBondContact O-CG 3.44Å; V143-F147 PolarHBondContact O-N 3.23Å; V143-I174 HydrophobicContact CG1-CD1 4.34Å; V143-V197 HydrophobicContact CG1-CG2 4.21Å
144F98.9Very high98.6Very high30 Ų3060.2 Ų60.213%0.13232%0.315CS..Hα-helixtrans-55.2-53173.9-168.8-81.7000112.2S140 N142 L146 F147 E148 P154 W156 I174S140-F144 PolarHBondContact O-N 2.91Å; N142-F144 VanDerWaalsContact C-N 3.32Å; F144-L146 VanDerWaalsContact C-N 3.3Å; F144-L146 PolarHBondContact O-N 3.47Å; F144-F147 PolarHBondContact O-N 2.99Å; F144-F147 VanDerWaalsContact O-N 3.15Å; F144-E148 HydrophobicContact CD1-CG 3.92Å; F144-E148 HydrophobicContact CE1-CG 3.72Å; F144-E148 PolarHBondContact O-N 3.31Å; F144-P154 HydrophobicContact CD1-CG 4.16Å; F144-P154 HydrophobicContact CD2-CB 4.02Å; F144-P154 HydrophobicContact CD2-CG 4.29Å; F144-P154 HydrophobicContact CE1-CG 3.93Å; F144-P154 HydrophobicContact CE2-CB 3.8Å; F144-P154 HydrophobicContact CE2-CG 4.06Å; F144-P154 HydrophobicContact CG-CB 4.48Å; F144-P154 HydrophobicContact CG-CG 4.33Å; F144-P154 HydrophobicContact CZ-CB 4.09Å; F144-P154 HydrophobicContact CZ-CG 3.87Å; F144-P154 WeakPolarHBondContact CZ-O 3.42Å; F144-W156 HydrophobicContact CB-CH2 4.26Å; F144-W156 HydrophobicContact CB-CZ2 3.77Å; F144-W156 HydrophobicContact CD2-CD2 4.03Å; F144-W156 AromaticContact CD2-CE2 3.47Å; F144-W156 VanDerWaalsContact CD2-CE2 3.47Å; F144-W156 HydrophobicContact CD2-CG 4.39Å; F144-W156 HydrophobicContact CD2-CH2 4.33Å; F144-W156 AromaticContact CD2-CZ2 3.67Å; F144-W156 HydrophobicContact CD2-CZ2 3.67Å; F144-W156 AromaticContact CD2-NE1 3.54Å; F144-W156 AromaticContact CE2-CD1 3.77Å; F144-W156 HydrophobicContact CE2-CD2 4.28Å; F144-W156 AromaticContact CE2-CE2 3.96Å; F144-W156 HydrophobicContact CE2-CG 4.17Å; F144-W156 AromaticContact CE2-NE1 3.62Å; F144-W156 AromaticContact CG-CZ2 3.94Å; F144-W156 HydrophobicContact CG-CZ2 3.94Å; F144-I174 HydrophobicContact CB-CD1 3.99Å; F144-I174 HydrophobicContact CD2-CD1 4.03Å; F144-I174 HydrophobicContact CD2-CG1 4.27Å; F144-I174 HydrophobicContact CD2-CG2 4.18Å; F144-I174 HydrophobicContact CE2-CG2 4.47Å
145R98.8Very high98.6Very high125 Ų12562.8 Ų62.847%0.47233%0.331SS..Hα-helixtrans-62.2-35177.7-74.9-173.6-65.7-86.94.5113.3H141 N142 V143 E148 S149H141-R145 WeakPolarHBondContact O-CG 3.36Å; H141-R145 VanDerWaalsContact O-CZ 3.32Å; H141-R145 PolarHBondContact O-N 3.23Å; H141-R145 VanDerWaalsContact O-N 3.14Å; H141-R145 PolarHBondContact O-NH1 2.74Å; N142-R145 VanDerWaalsContact CG-NH2 3.25Å; N142-R145 PolarHBondContact O-N 2.77Å; N142-R145 PolarHBondContact OD1-NH2 3.26Å; V143-R145 PolarHBondContact O-N 2.78Å; R145-E148 PolarHBondContact O-N 3.22Å; R145-S149 WeakPolarHBondContact O-CB 3.24Å; R145-S149 PolarHBondContact O-N 3.07Å
146L98.7Very high98.6Very high70 Ų7065.3 Ų65.337%0.36634%0.34SS..Hα-helixtrans-61.5-48174.3173.563.7000110.2N142 V143 F144 E148 S149 K150N142-L146 WeakPolarHBondContact O-CB 3.43Å; N142-L146 PolarHBondContact O-N 2.84Å; V143-L146 WeakPolarHBondContact O-CB 3.48Å; V143-L146 PolarHBondContact O-N 2.82Å; F144-L146 VanDerWaalsContact C-N 3.3Å; F144-L146 PolarHBondContact O-N 3.47Å; L146-E148 PolarHBondContact O-N 3.06Å; L146-S149 PolarHBondContact O-N 3.36Å; L146-S149 PolarHBondContact O-OG 3.18Å; L146-K150 HydrophobicContact CD1-CD 4.32Å; L146-K150 HydrophobicContact CG-CD 4.37Å; L146-K150 PolarHBondContact O-N 2.88Å
147F98.8Very high98.6Very high1 Ų165 Ų650%0.00433%0.334CS..Hα-helixtrans-63.5-38.1176-65.9-28.3000112.7V133 V143 F144 S149 K150 G151 Y152 P154 I174 L176 L191 V197V133-F147 HydrophobicContact CB-CE2 4.47Å; V133-F147 HydrophobicContact CG1-CE2 4.2Å; V133-F147 HydrophobicContact CG1-CZ 4.2Å; V143-F147 HydrophobicContact CG1-CD2 3.96Å; V143-F147 HydrophobicContact CG1-CE1 4.4Å; V143-F147 HydrophobicContact CG1-CE2 3.44Å; V143-F147 VanDerWaalsContact CG1-CE2 3.44Å; V143-F147 HydrophobicContact CG1-CZ 3.69Å; V143-F147 WeakPolarHBondContact O-CG 3.44Å; V143-F147 PolarHBondContact O-N 3.23Å; F144-F147 PolarHBondContact O-N 2.99Å; F144-F147 VanDerWaalsContact O-N 3.15Å; F147-S149 PolarHBondContact O-N 2.88Å; F147-K150 PolarHBondContact O-N 2.85Å; F147-G151 PolarHBondContact O-N 3.01Å; F147-Y152 HydrophobicContact CB-CD2 4.35Å; F147-Y152 AromaticContact CD1-CD2 3.76Å; F147-Y152 HydrophobicContact CD1-CD2 3.76Å; F147-Y152 HydrophobicContact CD1-CE2 4.26Å; F147-Y152 HydrophobicContact CE1-CD2 4.44Å; F147-Y152 HydrophobicContact CG-CD2 4.32Å; F147-Y152 PolarHBondContact O-N 3.21Å; F147-P154 HydrophobicContact CB-CB 4.01Å; F147-P154 HydrophobicContact CB-CG 3.93Å; F147-I174 HydrophobicContact CD2-CD1 4.19Å; F147-I174 HydrophobicContact CD2-CG2 4.16Å; F147-I174 HydrophobicContact CE2-CD1 4.32Å; F147-L176 HydrophobicContact CB-CD2 4.05Å; F147-L176 HydrophobicContact CD2-CD2 3.67Å; F147-L176 HydrophobicContact CE2-CD2 4.21Å; F147-L176 HydrophobicContact CG-CD2 3.93Å; F147-L191 HydrophobicContact CE1-CD2 3.63Å; F147-L191 HydrophobicContact CZ-CD2 3.7Å; F147-V197 HydrophobicContact CZ-CG2 3.83Å
148E98.7Very high98.6Very high106 Ų10666 Ų6650%0.49534%0.335SS..Hα-helixtrans-58.2-47.3170.6-71.1-176.711400111.3F144 R145 L146 K150 G151 P154F144-E148 HydrophobicContact CD1-CG 3.92Å; F144-E148 HydrophobicContact CE1-CG 3.72Å; F144-E148 PolarHBondContact O-N 3.31Å; R145-E148 PolarHBondContact O-N 3.22Å; L146-E148 PolarHBondContact O-N 3.06Å; E148-K150 PolarHBondContact O-N 2.99Å; E148-G151 PolarHBondContact O-N 3.31Å; E148-P154 HydrophobicContact CB-CG 4.29Å; E148-P154 HydrophobicContact CG-CG 3.4Å
149S98.5Very high98.6Very high93 Ų9358.9 Ų58.965%0.6531%0.308SS*.Hα-helixtrans-65-27-17976.90000113.8R145 L146 F147 G151R145-S149 WeakPolarHBondContact O-CB 3.24Å; R145-S149 PolarHBondContact O-N 3.07Å; L146-S149 PolarHBondContact O-N 3.36Å; L146-S149 PolarHBondContact O-OG 3.18Å; F147-S149 PolarHBondContact O-N 2.88Å; S149-G151 VanDerWaalsContact C-N 3.28Å
150K98.1Very high98.5Very high85 Ų8566.1 Ų66.137%0.3734%0.339SS..THydrogen-bonded Turntrans-81.1-6.3173.7-77.6172156.7-84.20113.2L146 F147 E148 Y152 E190L146-K150 HydrophobicContact CD1-CD 4.32Å; L146-K150 HydrophobicContact CG-CD 4.37Å; L146-K150 PolarHBondContact O-N 2.88Å; F147-K150 PolarHBondContact O-N 2.85Å; E148-K150 PolarHBondContact O-N 2.99Å; K150-Y152 HydrophobicContact CB-CD1 4Å; K150-Y152 HydrophobicContact CB-CD2 3.97Å; K150-Y152 HydrophobicContact CB-CE1 3.91Å; K150-Y152 HydrophobicContact CB-CE2 3.88Å; K150-Y152 HydrophobicContact CB-CG 4.02Å; K150-Y152 HydrophobicContact CD-CD2 4.27Å; K150-Y152 HydrophobicContact CD-CE2 3.63Å; K150-Y152 HydrophobicContact CG-CE2 4.36Å; K150-E190 VanDerWaalsContact CE-OE1 3.31Å; K150-E190 WeakPolarHBondContact CE-OE1 3.42Å; K150-E190 IonicContact NZ-OE1 3.08Å; K150-E190 PolarHBondContact NZ-OE1 3.23Å; K150-E190 IonicContact NZ-OE2 2.86Å; K150-E190 PolarHBondContact NZ-OE2 3.01Å
151G98.2Very high98.4Very high50 Ų5069.8 Ų69.852%0.51537%0.365SS..THydrogen-bonded Turntrans77.418.4-177.900000113.9F147 E148 S149 K153F147-G151 PolarHBondContact O-N 3.01Å; E148-G151 PolarHBondContact O-N 3.31Å; S149-G151 VanDerWaalsContact C-N 3.28Å; G151-K153 PolarHBondContact O-N 2.81Å
152Y98.7Very high98.2Very high38 Ų3870.8 Ų70.815%0.14937%0.374CS..  trans-793.1-177.3-63.1-14.6000114.3F147 K150 L176 H177 L178 L187 E190F147-Y152 HydrophobicContact CB-CD2 4.35Å; F147-Y152 AromaticContact CD1-CD2 3.76Å; F147-Y152 HydrophobicContact CD1-CD2 3.76Å; F147-Y152 HydrophobicContact CD1-CE2 4.26Å; F147-Y152 HydrophobicContact CE1-CD2 4.44Å; F147-Y152 HydrophobicContact CG-CD2 4.32Å; F147-Y152 PolarHBondContact O-N 3.21Å; K150-Y152 HydrophobicContact CB-CD1 4Å; K150-Y152 HydrophobicContact CB-CD2 3.97Å; K150-Y152 HydrophobicContact CB-CE1 3.91Å; K150-Y152 HydrophobicContact CB-CE2 3.88Å; K150-Y152 HydrophobicContact CB-CG 4.02Å; K150-Y152 HydrophobicContact CD-CD2 4.27Å; K150-Y152 HydrophobicContact CD-CE2 3.63Å; K150-Y152 HydrophobicContact CG-CE2 4.36Å; Y152-L176 HydrophobicContact CD2-CD1 4.06Å; Y152-H177 PolarHBondContact O-N 2.79Å; Y152-L178 HydrophobicContact CD1-CD2 3.7Å; Y152-L178 HydrophobicContact CG-CD2 3.87Å; Y152-L187 HydrophobicContact CE2-CD1 4.39Å; Y152-E190 PolarHBondContact OH-OE1 3.29Å; Y152-E190 PolarHBondContact OH-OE2 2.81Å
153K98.7Very high98.2Very high113 Ų11371.8 Ų71.849%0.49138%0.375SS..  trans47.756.4177-55.2-179.9-164.3174.60112.5G151 H177 E179G151-K153 PolarHBondContact O-N 2.81Å; K153-H177 HydrophobicContact CB-CB 4.01Å; K153-H177 PolarHBondContact O-CD2 3.47Å; K153-H177 VanDerWaalsContact O-CD2 3.23Å; K153-H177 PolarHBondContact O-N 3.15Å; K153-E179 IonicContact NZ-OE1 2.61Å; K153-E179 PolarHBondContact NZ-OE1 2.71Å
154P98.9Very high98.1Very high12 Ų1274 Ų748%0.07839%0.386CS..EExtended strand (participates in β ladder)trans-68.9146.5-174.230.3-36.6000112.6F144 F147 E148 I174 D175 L176F144-P154 HydrophobicContact CD1-CG 4.16Å; F144-P154 HydrophobicContact CD2-CB 4.02Å; F144-P154 HydrophobicContact CD2-CG 4.29Å; F144-P154 HydrophobicContact CE1-CG 3.93Å; F144-P154 HydrophobicContact CE2-CB 3.8Å; F144-P154 HydrophobicContact CE2-CG 4.06Å; F144-P154 HydrophobicContact CG-CB 4.48Å; F144-P154 HydrophobicContact CG-CG 4.33Å; F144-P154 HydrophobicContact CZ-CB 4.09Å; F144-P154 HydrophobicContact CZ-CG 3.87Å; F144-P154 WeakPolarHBondContact CZ-O 3.42Å; F147-P154 HydrophobicContact CB-CB 4.01Å; F147-P154 HydrophobicContact CB-CG 3.93Å; E148-P154 HydrophobicContact CB-CG 4.29Å; E148-P154 HydrophobicContact CG-CG 3.4Å; P154-I174 HydrophobicContact CB-CG2 3.4Å; P154-I174 VanDerWaalsContact CB-CG2 3.4Å; P154-D175 CarbonylContact C-O 3.31Å; P154-D175 WeakPolarHBondContact CA-O 3.38Å; P154-L176 HydrophobicContact CB-CD2 3.94Å
155T98.8Very high98.1Very high58 Ų5874.2 Ų74.236%0.35639%0.389SS..EExtended strand (participates in β ladder)trans-133.6144.2167.855.30000110.6I174 D175 H177T155-I174 CarbonylContact O-C 3.52Å; T155-I174 WeakPolarHBondContact O-CA 3.39Å; T155-D175 PolarHBondContact N-O 3.2Å; T155-D175 PolarHBondContact O-N 2.89Å; T155-H177 PolarHBondContact OG1-NE2 2.91Å
156W98.8Very high98.1Very high53 Ų5372.4 Ų72.420%0.20139%0.392CS..EExtended strand (participates in β ladder)trans-70.6136.7171.7-67.8108.8000110.7V135 S140 F144 M158 L164 Y172 I174V135-W156 HydrophobicContact CG2-CZ3 4.21Å; S140-W156 WeakPolarHBondContact OG-CH2 3.35Å; F144-W156 HydrophobicContact CB-CH2 4.26Å; F144-W156 HydrophobicContact CB-CZ2 3.77Å; F144-W156 HydrophobicContact CD2-CD2 4.03Å; F144-W156 AromaticContact CD2-CE2 3.47Å; F144-W156 VanDerWaalsContact CD2-CE2 3.47Å; F144-W156 HydrophobicContact CD2-CG 4.39Å; F144-W156 HydrophobicContact CD2-CH2 4.33Å; F144-W156 AromaticContact CD2-CZ2 3.67Å; F144-W156 HydrophobicContact CD2-CZ2 3.67Å; F144-W156 AromaticContact CD2-NE1 3.54Å; F144-W156 AromaticContact CE2-CD1 3.77Å; F144-W156 HydrophobicContact CE2-CD2 4.28Å; F144-W156 AromaticContact CE2-CE2 3.96Å; F144-W156 HydrophobicContact CE2-CG 4.17Å; F144-W156 AromaticContact CE2-NE1 3.62Å; F144-W156 AromaticContact CG-CZ2 3.94Å; F144-W156 HydrophobicContact CG-CZ2 3.94Å; W156-M158 HydrophobicContact CB-SD 3.82Å; W156-M158 PolarHBondContact O-N 3.5Å; W156-L164 HydrophobicContact CB-CD2 3.55Å; W156-L164 HydrophobicContact CD2-CD2 3.7Å; W156-L164 HydrophobicContact CE3-CD2 3.82Å; W156-L164 HydrophobicContact CG-CD2 3.6Å; W156-Y172 HydrophobicContact CZ3-CD2 4.38Å; W156-I174 HydrophobicContact CE3-CG1 3.78Å; W156-I174 HydrophobicContact CH2-CD1 3.9Å; W156-I174 HydrophobicContact CH2-CG1 4.03Å; W156-I174 HydrophobicContact CZ3-CD1 3.88Å; W156-I174 HydrophobicContact CZ3-CG1 3.5Å; W156-I174 VanDerWaalsContact CZ3-CG1 3.5Å
157R98.8Very high98.1Very high39 Ų3969.6 Ų69.615%0.14738%0.378CS..  trans-71.5121.8166.8-173.669.168.186.84.9109.1G95 G96 L165 I173 D175G95-R157 PolarHBondContact O-NH2 2.9Å; G96-R157 PolarHBondContact O-NH1 3.04Å; R157-L165 HydrophobicContact CB-CB 4.18Å; R157-L165 HydrophobicContact CG-CB 3.77Å; R157-L165 HydrophobicContact CG-CD1 3.84Å; R157-L165 HydrophobicContact CG-CD2 4.39Å; R157-L165 HydrophobicContact CG-CG 4.21Å; R157-L165 WeakPolarHBondContact O-CB 3.17Å; R157-L165 PolarHBondContact O-N 2.94Å; R157-I173 HydrophobicContact CB-CB 3.75Å; R157-I173 HydrophobicContact CB-CG2 3.95Å; R157-I173 HydrophobicContact CG-CB 4.45Å; R157-I173 PolarHBondContact N-O 3.38Å; R157-D175 IonicContact CZ-OD1 2.65Å; R157-D175 IonicContact CZ-OD2 3.45Å; R157-D175 IonicContact NE-OD1 2.79Å; R157-D175 PolarHBondContact NE-OD1 3.02Å; R157-D175 IonicContact NE-OD2 3.19Å; R157-D175 PolarHBondContact NE-OD2 3.48Å; R157-D175 IonicContact NH2-OD1 2.89Å; R157-D175 PolarHBondContact NH2-OD1 3.33Å; R157-D175 IonicContact NH2-OD2 2.71Å
158M98.4Very high98.1Very high72 Ų7273 Ų7336%0.35540%0.396SS..BIsolated β-bridgetrans-107.3150.9179.3-51.7-57.4-70.300110.9W156 N162 E163 L164W156-M158 HydrophobicContact CB-SD 3.82Å; W156-M158 PolarHBondContact O-N 3.5Å; M158-N162 VanDerWaalsContact CE-C 3.46Å; M158-N162 WeakPolarHBondContact CE-O 3.44Å; M158-E163 CarbonylContact C-O 3.54Å; M158-E163 WeakPolarHBondContact CA-O 3.32Å; M158-E163 VanDerWaalsContact CE-C 3.48Å; M158-L164 HydrophobicContact SD-CD2 3.9Å
159T97.7Very high98Very high46 Ų4669.5 Ų69.528%0.28239%0.388SS..  trans-74.2169.116563.40000110.9S161 N162 E163 L165T159-S161 PolarHBondContact O-N 3.47Å; T159-S161 PolarHBondContact OG1-N 2.96Å; T159-S161 PolarHBondContact OG1-OG 3.25Å; T159-N162 WeakPolarHBondContact O-CA 3.43Å; T159-N162 PolarHBondContact O-N 2.92Å; T159-N162 PolarHBondContact OG1-N 3.24Å; T159-E163 PolarHBondContact N-O 2.9Å; T159-E163 PolarHBondContact OG1-N 2.8Å; T159-E163 PolarHBondContact OG1-O 3.11Å; T159-L165 HydrophobicContact CG2-CB 4.33Å
160D95.4Very high98Very high184 Ų18466.9 Ų66.998%0.98438%0.375SS*.THydrogen-bonded Turntrans-61.4-23.5171.6-64.9-21.1000112.6N162D160-N162 PolarHBondContact O-N 3.28Å
161S96.9Very high98.1Very high78 Ų7864.7 Ų64.755%0.54537%0.366SS..THydrogen-bonded Turntrans-81.13.8172.553.30000113.9T159 E163T159-S161 PolarHBondContact O-N 3.47Å; T159-S161 PolarHBondContact OG1-N 2.96Å; T159-S161 PolarHBondContact OG1-OG 3.25Å; S161-E163 VanDerWaalsContact C-N 3.34Å; S161-E163 PolarHBondContact OG-OE2 3.25Å
162N95.6Very high98.1Very high124 Ų12465 Ų6566%0.66335%0.352SS*.SBendtrans60.837.9-177-165.156.7000113.7M158 T159 D160M158-N162 VanDerWaalsContact CE-C 3.46Å; M158-N162 WeakPolarHBondContact CE-O 3.44Å; T159-N162 WeakPolarHBondContact O-CA 3.43Å; T159-N162 PolarHBondContact O-N 2.92Å; T159-N162 PolarHBondContact OG1-N 3.24Å; D160-N162 PolarHBondContact O-N 3.28Å
163E97.7Very high98.1Very high123 Ų12363.2 Ų63.258%0.57535%0.346SS*.SBendtrans-107159170.8-63.9169.8135.700109.9M158 T159 S161 L165M158-E163 CarbonylContact C-O 3.54Å; M158-E163 WeakPolarHBondContact CA-O 3.32Å; M158-E163 VanDerWaalsContact CE-C 3.48Å; T159-E163 PolarHBondContact N-O 2.9Å; T159-E163 PolarHBondContact OG1-N 2.8Å; T159-E163 PolarHBondContact OG1-O 3.11Å; S161-E163 VanDerWaalsContact C-N 3.34Å; S161-E163 PolarHBondContact OG-OE2 3.25Å; E163-L165 PolarHBondContact O-N 3.05Å
164L97.8Very high98.1Very high53 Ų5357.9 Ų57.928%0.27732%0.322SS..BIsolated β-bridgetrans-60.9124.9173.3-73.3176.2000109.6W156 M158 T166 Y172W156-L164 HydrophobicContact CB-CD2 3.55Å; W156-L164 HydrophobicContact CD2-CD2 3.7Å; W156-L164 HydrophobicContact CE3-CD2 3.82Å; W156-L164 HydrophobicContact CG-CD2 3.6Å; M158-L164 HydrophobicContact SD-CD2 3.9Å; L164-T166 PolarHBondContact O-N 3.46Å; L164-Y172 HydrophobicContact CB-CD1 4.22Å; L164-Y172 HydrophobicContact CB-CE1 4.18Å; L164-Y172 HydrophobicContact CD1-CD2 4.29Å; L164-Y172 HydrophobicContact CD1-CE1 4.35Å; L164-Y172 HydrophobicContact CD1-CE2 4.04Å
165L98.6Very high98.1Very high35 Ų3558 Ų5818%0.18332%0.322CS..  trans-64.2131.8174.4-178.3146.5000109.4A98 R157 T159 E163 T167 I173A98-L165 HydrophobicContact CB-CD1 3.98Å; A98-L165 HydrophobicContact CB-CD2 3.6Å; A98-L165 HydrophobicContact CB-CG 4.47Å; R157-L165 HydrophobicContact CB-CB 4.18Å; R157-L165 HydrophobicContact CG-CB 3.77Å; R157-L165 HydrophobicContact CG-CD1 3.84Å; R157-L165 HydrophobicContact CG-CD2 4.39Å; R157-L165 HydrophobicContact CG-CG 4.21Å; R157-L165 WeakPolarHBondContact O-CB 3.17Å; R157-L165 PolarHBondContact O-N 2.94Å; T159-L165 HydrophobicContact CG2-CB 4.33Å; E163-L165 PolarHBondContact O-N 3.05Å; L165-T167 HydrophobicContact CD2-CG2 4.17Å; L165-I173 HydrophobicContact CD2-CD1 4.25Å
166T98.5Very high98.1Very high87 Ų8755.2 Ų55.253%0.53431%0.305SS..  trans-106.7128.5171.7-55.60000109.3L164 H171L164-T166 PolarHBondContact O-N 3.46Å; T166-H171 CarbonylContact C-O 3.55Å; T166-H171 VanDerWaalsContact CA-O 3.28Å; T166-H171 WeakPolarHBondContact CA-O 3.43Å
167T98.8Very high98.1Very high12 Ų1256.1 Ų56.17%0.07431%0.311CS..  trans-74.9168.818067.90000111.8E134 L165 G169 G170 H171 I173E134-T167 HydrophobicContact CG-CG2 4.08Å; E134-T167 PolarHBondContact OE1-OG1 2.92Å; L165-T167 HydrophobicContact CD2-CG2 4.17Å; T167-G169 PolarHBondContact O-N 2.73Å; T167-G169 PolarHBondContact OG1-N 3.35Å; T167-G170 PolarHBondContact O-N 3.21Å; T167-G170 PolarHBondContact OG1-N 2.81Å; T167-H171 PolarHBondContact N-O 2.94Å; T167-H171 PolarHBondContact OG1-N 3.28Å; T167-H171 VanDerWaalsContact OG1-N 3.13Å; T167-I173 HydrophobicContact CG2-CD1 3.77Å; T167-I173 HydrophobicContact CG2-CG1 3.71Å
168D98Very high98.1Very high73 Ų7356 Ų5639%0.3931%0.313SS..THydrogen-bonded Turntrans-58.5-24.7169.9-74.3-29.7000112S53 S54 F102 G170S53-D168 VanDerWaalsContact CA-OD2 3.25Å; S53-D168 WeakPolarHBondContact CA-OD2 3.4Å; S53-D168 WeakPolarHBondContact CB-OD2 3.4Å; S54-D168 WeakPolarHBondContact CB-OD1 3.05Å; S54-D168 PolarHBondContact N-OD2 3.47Å; S54-D168 PolarHBondContact OG-OD1 2.79Å; S54-D168 PolarHBondContact OG-OD2 3.22Å; F102-D168 HydrophobicContact CD2-CB 4.09Å; F102-D168 HydrophobicContact CE2-CB 3.62Å; F102-D168 HydrophobicContact CZ-CB 4.11Å; D168-G170 VanDerWaalsContact C-N 3.32Å
169G97.8Very high98.1Very high31 Ų3158.5 Ų58.532%0.3232%0.324SS..THydrogen-bonded Turntrans-80.9-3.5173.100000115T167 H171T167-G169 PolarHBondContact O-N 2.73Å; T167-G169 PolarHBondContact OG1-N 3.35Å; G169-H171 PolarHBondContact O-CE1 3.35Å
170G98.4Very high98.1Very high38 Ų3859.8 Ų59.839%0.39233%0.332SS..SBendtrans78.720.3-17800000114.5P137 T167 D168P137-G170 WeakPolarHBondContact CG-O 3.44Å; T167-G170 PolarHBondContact O-N 3.21Å; T167-G170 PolarHBondContact OG1-N 2.81Å; D168-G170 VanDerWaalsContact C-N 3.32Å
171H98.8Very high98.3Very high39 Ų3951.5 Ų51.518%0.18129%0.287CS..  trans-108175.6-178.2-54.5127.2000112.2E134 V135 T166 T167 G169E134-H171 HydrophobicContact CG-CB 3.5Å; E134-H171 VanDerWaalsContact CG-CB 3.5Å; E134-H171 WeakPolarHBondContact OE1-CB 3.43Å; E134-H171 IonicContact OE1-CE1 2.63Å; E134-H171 IonicContact OE1-CG 3.91Å; E134-H171 IonicContact OE1-ND1 2.76Å; E134-H171 PolarHBondContact OE1-ND1 3.37Å; V135-H171 WeakPolarHBondContact O-CB 3.25Å; T166-H171 CarbonylContact C-O 3.55Å; T166-H171 VanDerWaalsContact CA-O 3.28Å; T166-H171 WeakPolarHBondContact CA-O 3.43Å; T167-H171 PolarHBondContact N-O 2.94Å; T167-H171 PolarHBondContact OG1-N 3.28Å; T167-H171 VanDerWaalsContact OG1-N 3.13Å; G169-H171 PolarHBondContact O-CE1 3.35Å
172Y98.8Very high98.3Very high57 Ų5754.2 Ų54.222%0.22429%0.292CS..EExtended strand (participates in β ladder)trans-102.9164.2171.7-57.9-37.5000111.1E134 V135 P137 W156 L164E134-Y172 CarbonylContact C-O 3.54Å; E134-Y172 WeakPolarHBondContact CA-O 3.11Å; V135-Y172 PolarHBondContact N-O 2.74Å; V135-Y172 PolarHBondContact O-N 2.84Å; P137-Y172 HydrophobicContact CB-CD2 4.13Å; P137-Y172 HydrophobicContact CB-CE2 3.61Å; P137-Y172 HydrophobicContact CG-CD2 4.34Å; P137-Y172 HydrophobicContact CG-CE2 4.12Å; W156-Y172 HydrophobicContact CZ3-CD2 4.38Å; L164-Y172 HydrophobicContact CB-CD1 4.22Å; L164-Y172 HydrophobicContact CB-CE1 4.18Å; L164-Y172 HydrophobicContact CD1-CD2 4.29Å; L164-Y172 HydrophobicContact CD1-CE1 4.35Å; L164-Y172 HydrophobicContact CD1-CE2 4.04Å
173I99Very high98.4Very high1 Ų152.5 Ų52.51%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-117133.9171.6-66.2177.9000110.3A98 L100 P132 V133 R157 L165 T167A98-I173 HydrophobicContact CB-CD1 3.49Å; A98-I173 VanDerWaalsContact CB-CD1 3.49Å; L100-I173 HydrophobicContact CD2-CD1 3.68Å; L100-I173 HydrophobicContact CD2-CG1 4.32Å; P132-I173 HydrophobicContact CB-CG2 3.99Å; V133-I173 CarbonylContact O-C 3.57Å; V133-I173 WeakPolarHBondContact O-CA 3.33Å; R157-I173 HydrophobicContact CB-CB 3.75Å; R157-I173 HydrophobicContact CB-CG2 3.95Å; R157-I173 HydrophobicContact CG-CB 4.45Å; R157-I173 PolarHBondContact N-O 3.38Å; L165-I173 HydrophobicContact CD2-CD1 4.25Å; T167-I173 HydrophobicContact CG2-CD1 3.77Å; T167-I173 HydrophobicContact CG2-CG1 3.71Å
174I98.9Very high98.4Very high0 Ų047.1 Ų47.10%026%0.258CS..EExtended strand (participates in β ladder)trans-108.8122.4164.9-58.2175.6000107.6V133 V135 V143 F144 F147 P154 T155 W156 L176V133-I174 PolarHBondContact N-O 2.69Å; V133-I174 PolarHBondContact O-N 3.38Å; V135-I174 HydrophobicContact CG1-CD1 4.09Å; V135-I174 HydrophobicContact CG1-CG1 4.42Å; V135-I174 HydrophobicContact CG2-CD1 3.98Å; V135-I174 HydrophobicContact CG2-CG1 3.99Å; V143-I174 HydrophobicContact CG1-CD1 4.34Å; F144-I174 HydrophobicContact CB-CD1 3.99Å; F144-I174 HydrophobicContact CD2-CD1 4.03Å; F144-I174 HydrophobicContact CD2-CG1 4.27Å; F144-I174 HydrophobicContact CD2-CG2 4.18Å; F144-I174 HydrophobicContact CE2-CG2 4.47Å; F147-I174 HydrophobicContact CD2-CD1 4.19Å; F147-I174 HydrophobicContact CD2-CG2 4.16Å; F147-I174 HydrophobicContact CE2-CD1 4.32Å; P154-I174 HydrophobicContact CB-CG2 3.4Å; P154-I174 VanDerWaalsContact CB-CG2 3.4Å; T155-I174 CarbonylContact O-C 3.52Å; T155-I174 WeakPolarHBondContact O-CA 3.39Å; W156-I174 HydrophobicContact CE3-CG1 3.78Å; W156-I174 HydrophobicContact CH2-CD1 3.9Å; W156-I174 HydrophobicContact CH2-CG1 4.03Å; W156-I174 HydrophobicContact CZ3-CD1 3.88Å; W156-I174 HydrophobicContact CZ3-CG1 3.5Å; W156-I174 VanDerWaalsContact CZ3-CG1 3.5Å; I174-L176 HydrophobicContact CG2-CD2 3.93Å
175D99Very high98.5Very high14 Ų1448 Ų488%0.07526%0.261CS..EExtended strand (participates in β ladder)trans-90.5129.5172.9-61.1-60.1000110P130 P154 T155 R157P130-D175 HydrophobicContact CB-CB 3.94Å; P154-D175 CarbonylContact C-O 3.31Å; P154-D175 WeakPolarHBondContact CA-O 3.38Å; T155-D175 PolarHBondContact N-O 3.2Å; T155-D175 PolarHBondContact O-N 2.89Å; R157-D175 IonicContact CZ-OD1 2.65Å; R157-D175 IonicContact CZ-OD2 3.45Å; R157-D175 IonicContact NE-OD1 2.79Å; R157-D175 PolarHBondContact NE-OD1 3.02Å; R157-D175 IonicContact NE-OD2 3.19Å; R157-D175 PolarHBondContact NE-OD2 3.48Å; R157-D175 IonicContact NH2-OD1 2.89Å; R157-D175 PolarHBondContact NH2-OD1 3.33Å; R157-D175 IonicContact NH2-OD2 2.71Å
176L98.9Very high98.5Very high0 Ų048.7 Ų48.70%027%0.272CS..EExtended strand (participates in β ladder)trans-101.1118.7178.8-51.5-176.9000110.4P130 L131 V133 F147 Y152 P154 I174 L178 L191P130-L176 CarbonylContact C-O 3.46Å; P130-L176 WeakPolarHBondContact CA-O 3.4Å; L131-L176 HydrophobicContact CB-CB 4.29Å; L131-L176 HydrophobicContact CD2-CD1 4.47Å; L131-L176 PolarHBondContact N-O 3.36Å; L131-L176 PolarHBondContact O-N 3.14Å; V133-L176 HydrophobicContact CG2-CD1 3.77Å; V133-L176 HydrophobicContact CG2-CG 3.98Å; F147-L176 HydrophobicContact CB-CD2 4.05Å; F147-L176 HydrophobicContact CD2-CD2 3.67Å; F147-L176 HydrophobicContact CE2-CD2 4.21Å; F147-L176 HydrophobicContact CG-CD2 3.93Å; Y152-L176 HydrophobicContact CD2-CD1 4.06Å; P154-L176 HydrophobicContact CB-CD2 3.94Å; I174-L176 HydrophobicContact CG2-CD2 3.93Å; L176-L178 HydrophobicContact CB-CD1 4.26Å; L176-L178 HydrophobicContact CB-CD2 4.14Å; L176-L178 HydrophobicContact CB-CG 3.93Å; L176-L178 PolarHBondContact O-N 3.15Å; L176-L191 HydrophobicContact CD1-CD2 4.45Å
177H98.8Very high98.5Very high72 Ų7245.5 Ų45.533%0.33325%0.251SS..  trans-90.777.4-178.7-63.2-99.3000110.3Y152 K153 T155Y152-H177 PolarHBondContact O-N 2.79Å; K153-H177 HydrophobicContact CB-CB 4.01Å; K153-H177 PolarHBondContact O-CD2 3.47Å; K153-H177 VanDerWaalsContact O-CD2 3.23Å; K153-H177 PolarHBondContact O-N 3.15Å; T155-H177 PolarHBondContact OG1-NE2 2.91Å
178L98.6Very high98.5Very high36 Ų3645.3 Ų45.319%0.18825%0.251CS..  trans-86.3-19.1-170.2-60.3177.4000114.2L131 Y152 L176 V180 I181 L187L131-L178 HydrophobicContact CB-CD1 4.34Å; L131-L178 HydrophobicContact CD2-CD1 4.11Å; Y152-L178 HydrophobicContact CD1-CD2 3.7Å; Y152-L178 HydrophobicContact CG-CD2 3.87Å; L176-L178 HydrophobicContact CB-CD1 4.26Å; L176-L178 HydrophobicContact CB-CD2 4.14Å; L176-L178 HydrophobicContact CB-CG 3.93Å; L176-L178 PolarHBondContact O-N 3.15Å; L178-V180 PolarHBondContact O-N 3.35Å; L178-I181 HydrophobicContact CB-CG1 4.18Å; L178-I181 HydrophobicContact CD1-CD1 3.97Å; L178-I181 HydrophobicContact CD1-CG1 3.85Å; L178-L187 HydrophobicContact CD1-CD2 3.46Å; L178-L187 VanDerWaalsContact CD1-CD2 3.46Å
179E97.8Very high98.5Very high125 Ų12543.7 Ų43.758%0.58425%0.248SC*.SBendtrans66.3-48.2-176.3-57.9169.9-163.800113.9G127 N128 K153G127-E179 CarbonylContact C-O 3.17Å; G127-E179 CarbonylContact O-C 3.57Å; G127-E179 VanDerWaalsContact O-C 3.31Å; G127-E179 WeakPolarHBondContact O-CA 3.29Å; G127-E179 PolarHBondContact O-N 3.4Å; N128-E179 PolarHBondContact N-O 2.92Å; K153-E179 IonicContact NZ-OE1 2.61Å; K153-E179 PolarHBondContact NZ-OE1 2.71Å
180V98.4Very high98.6Very high73 Ų7345.5 Ų45.544%0.44225%0.248SC..  trans-143.2135174.3-178.90000109.6K125 L126 L178 E182K125-V180 HydrophobicContact CB-CG1 4.29Å; K125-V180 HydrophobicContact CD-CG1 3.8Å; L126-V180 CarbonylContact O-C 3.56Å; L126-V180 WeakPolarHBondContact O-CA 3.48Å; L178-V180 PolarHBondContact O-N 3.35Å; V180-E182 HydrophobicContact CG1-CG 4.43Å; V180-E182 WeakPolarHBondContact CG1-OE1 3.5Å
181I98.7Very high98.6Very high10 Ų1043.7 Ų43.75%0.05123%0.229CC..  trans-109.7102.7173-56.5174.7000107.8I93 L126 L131 L178 P184 L187 L202I93-I181 HydrophobicContact CD1-CD1 3.91Å; L126-I181 HydrophobicContact CB-CB 4.27Å; L126-I181 HydrophobicContact CB-CD1 4.24Å; L126-I181 PolarHBondContact O-N 2.84Å; L131-I181 HydrophobicContact CD2-CD1 4.35Å; L178-I181 HydrophobicContact CB-CG1 4.18Å; L178-I181 HydrophobicContact CD1-CD1 3.97Å; L178-I181 HydrophobicContact CD1-CG1 3.85Å; I181-P184 HydrophobicContact CG2-CB 3.99Å; I181-L187 HydrophobicContact CD1-CD2 4.19Å; I181-L187 HydrophobicContact CG1-CD2 4.28Å; I181-L187 HydrophobicContact CG2-CB 4.45Å; I181-L187 HydrophobicContact CG2-CD2 3.88Å; I181-L202 HydrophobicContact CD1-CD2 4.01Å
182E97.2Very high98.6Very high135 Ų13547 Ų4763%0.63125%0.249SC*.SBendtrans-71.3-39.8-176-72-65.3147.800113.2K125 V180K125-E182 IonicContact NZ-OE1 3.44Å; K125-E182 PolarHBondContact NZ-OE1 3.31Å; K125-E182 IonicContact NZ-OE2 2.8Å; K125-E182 PolarHBondContact NZ-OE2 2.81Å; V180-E182 HydrophobicContact CG1-CG 4.43Å; V180-E182 WeakPolarHBondContact CG1-OE1 3.5Å
183D98.2Very high98.6Very high89 Ų8952.4 Ų52.448%0.47627%0.273SS..  trans-132.288.9179.7-171.9-21.6000109H185 A186 L187D183-H185 VanDerWaalsContact C-N 3.26Å; D183-H185 PolarHBondContact O-N 3.06Å; D183-H185 PolarHBondContact OD1-N 3.2Å; D183-A186 HydrophobicContact CB-CB 3.9Å; D183-A186 PolarHBondContact O-N 3.23Å; D183-A186 PolarHBondContact OD1-N 2.97Å; D183-A186 WeakPolarHBondContact OD2-CB 3.48Å; D183-L187 PolarHBondContact O-N 2.85Å; D183-L187 VanDerWaalsContact O-N 3.07Å
184P98.5Very high98.5Very high10 Ų1053.4 Ų53.47%0.06528%0.28CS..Hα-helixtrans-65.4-29.8-177.726-33.2000112.1Q91 L126 I181 A188 L202 I204Q91-P184 HydrophobicContact CB-CG 4.38Å; Q91-P184 HydrophobicContact CG-CG 4.13Å; L126-P184 HydrophobicContact CD1-CB 4.2Å; I181-P184 HydrophobicContact CG2-CB 3.99Å; P184-A188 VanDerWaalsContact O-CB 3.25Å; P184-A188 WeakPolarHBondContact O-CB 3.2Å; P184-A188 PolarHBondContact O-N 3.36Å; P184-L202 HydrophobicContact CB-CD2 4.1Å; P184-I204 HydrophobicContact CB-CD1 3.82Å; P184-I204 HydrophobicContact CG-CD1 4.5Å
185H98.4Very high98.5Very high70 Ų7060 Ų6032%0.32432%0.32SS..Hα-helixtrans-65.6-46174.5-65.971.4000111.7D183 A188 A189 I204 D205D183-H185 VanDerWaalsContact C-N 3.26Å; D183-H185 PolarHBondContact O-N 3.06Å; D183-H185 PolarHBondContact OD1-N 3.2Å; H185-A188 PolarHBondContact O-N 2.91Å; H185-A189 WeakPolarHBondContact O-CB 3.49Å; H185-A189 PolarHBondContact O-N 2.51Å; H185-I204 WeakPolarHBondContact CD2-CG2 3.21Å; H185-I204 WeakPolarHBondContact NE2-CG2 3.37Å; H185-D205 IonicContact CD2-OD2 3.38Å; H185-D205 IonicContact CE1-OD2 2.74Å; H185-D205 IonicContact NE2-OD1 3.64Å; H185-D205 IonicContact NE2-OD2 3.8Å; H185-D205 PolarHBondContact NE2-OD2 3.18Å
186A98.6Very high98.5Very high51 Ų5160.2 Ų60.242%0.42133%0.325SS..Hα-helixtrans-66.1-40.9178.800000112.2D183 A189 E190D183-A186 HydrophobicContact CB-CB 3.9Å; D183-A186 PolarHBondContact O-N 3.23Å; D183-A186 PolarHBondContact OD1-N 2.97Å; D183-A186 WeakPolarHBondContact OD2-CB 3.48Å; A186-A189 PolarHBondContact O-N 3.21Å; A186-E190 PolarHBondContact O-N 2.65Å
187L98.8Very high98.5Very high19 Ų1961.3 Ų61.310%0.09933%0.332CS..Hα-helixtrans-66.5-43177.2-179.658.6000111.8L131 Y152 L178 I181 D183 E190 L191 L202L131-L187 HydrophobicContact CD2-CD2 3.83Å; L131-L187 HydrophobicContact CD2-CG 4.47Å; Y152-L187 HydrophobicContact CE2-CD1 4.39Å; L178-L187 HydrophobicContact CD1-CD2 3.46Å; L178-L187 VanDerWaalsContact CD1-CD2 3.46Å; I181-L187 HydrophobicContact CD1-CD2 4.19Å; I181-L187 HydrophobicContact CG1-CD2 4.28Å; I181-L187 HydrophobicContact CG2-CB 4.45Å; I181-L187 HydrophobicContact CG2-CD2 3.88Å; D183-L187 PolarHBondContact O-N 2.85Å; D183-L187 VanDerWaalsContact O-N 3.07Å; L187-E190 WeakPolarHBondContact O-CB 3.2Å; L187-E190 PolarHBondContact O-N 2.96Å; L187-L191 HydrophobicContact CD1-CD1 4.23Å; L187-L191 HydrophobicContact CD1-CG 4.18Å; L187-L191 HydrophobicContact CG-CD1 4.12Å; L187-L191 HydrophobicContact CG-CG 4.49Å; L187-L191 WeakPolarHBondContact O-CG 3.46Å; L187-L191 PolarHBondContact O-N 2.82Å; L187-L202 HydrophobicContact CB-CD1 4.09Å; L187-L202 HydrophobicContact CD2-CD1 4.05Å; L187-L202 HydrophobicContact CG-CD1 3.96Å
188A98.8Very high98.5Very high9 Ų960.2 Ų60.27%0.07433%0.33CS..Hα-helixtrans-55.9-52.8173.900000111.1P184 H185 E190 L191 D192 H200 L202 I204P184-A188 VanDerWaalsContact O-CB 3.25Å; P184-A188 WeakPolarHBondContact O-CB 3.2Å; P184-A188 PolarHBondContact O-N 3.36Å; H185-A188 PolarHBondContact O-N 2.91Å; A188-E190 PolarHBondContact O-N 2.89Å; A188-E190 VanDerWaalsContact O-N 3.15Å; A188-L191 PolarHBondContact O-N 3.19Å; A188-D192 PolarHBondContact O-N 3.06Å; A188-H200 VanDerWaalsContact CA-NE2 3.35Å; A188-H200 WeakPolarHBondContact CA-NE2 3.5Å; A188-H200 VanDerWaalsContact CB-CE1 3.42Å; A188-H200 WeakPolarHBondContact CB-CE1 3.43Å; A188-H200 WeakPolarHBondContact CB-NE2 3.32Å; A188-H200 PolarHBondContact O-NE2 3.11Å; A188-L202 HydrophobicContact CB-CB 4.41Å; A188-L202 HydrophobicContact CB-CD1 4.08Å; A188-I204 HydrophobicContact CB-CG1 4.19Å
189A98.6Very high98.5Very high39 Ų3960.1 Ų60.132%0.32233%0.329SS..Hα-helixtrans-63.6-23.3179.400000114.1H185 A186 K193H185-A189 WeakPolarHBondContact O-CB 3.49Å; H185-A189 PolarHBondContact O-N 2.51Å; A186-A189 PolarHBondContact O-N 3.21Å; A189-K193 WeakPolarHBondContact O-CD 3.39Å; A189-K193 WeakPolarHBondContact O-CE 3.4Å; A189-K193 WeakPolarHBondContact O-CG 3.39Å
190E98.6Very high98.6Very high68 Ų6854.5 Ų54.532%0.31830%0.302SS..Hα-helixtrans-73.6-49.4171.1-169.8-165.7110.300111.2K150 Y152 A186 L187 A188 D192 K193 C194K150-E190 VanDerWaalsContact CE-OE1 3.31Å; K150-E190 WeakPolarHBondContact CE-OE1 3.42Å; K150-E190 IonicContact NZ-OE1 3.08Å; K150-E190 PolarHBondContact NZ-OE1 3.23Å; K150-E190 IonicContact NZ-OE2 2.86Å; K150-E190 PolarHBondContact NZ-OE2 3.01Å; Y152-E190 PolarHBondContact OH-OE1 3.29Å; Y152-E190 PolarHBondContact OH-OE2 2.81Å; A186-E190 PolarHBondContact O-N 2.65Å; L187-E190 WeakPolarHBondContact O-CB 3.2Å; L187-E190 PolarHBondContact O-N 2.96Å; A188-E190 PolarHBondContact O-N 2.89Å; A188-E190 VanDerWaalsContact O-N 3.15Å; E190-D192 VanDerWaalsContact C-N 3.33Å; E190-D192 PolarHBondContact O-N 3.07Å; E190-K193 PolarHBondContact O-N 3.49Å; E190-K193 VanDerWaalsContact O-N 3.1Å; E190-C194 PolarHBondContact O-N 3.12Å
191L98.8Very high98.6Very high0 Ų051 Ų510%028%0.281CS..Hα-helixtrans-63.5-38.5-178.5-68.8174.3000111.6L131 V133 F147 L176 L187 A188 K193 C194 H200L131-L191 HydrophobicContact CD2-CD1 3.87Å; V133-L191 HydrophobicContact CG2-CD1 4.19Å; F147-L191 HydrophobicContact CE1-CD2 3.63Å; F147-L191 HydrophobicContact CZ-CD2 3.7Å; L176-L191 HydrophobicContact CD1-CD2 4.45Å; L187-L191 HydrophobicContact CD1-CD1 4.23Å; L187-L191 HydrophobicContact CD1-CG 4.18Å; L187-L191 HydrophobicContact CG-CD1 4.12Å; L187-L191 HydrophobicContact CG-CG 4.49Å; L187-L191 WeakPolarHBondContact O-CG 3.46Å; L187-L191 PolarHBondContact O-N 2.82Å; A188-L191 PolarHBondContact O-N 3.19Å; L191-K193 PolarHBondContact O-N 3.15Å; L191-K193 VanDerWaalsContact O-N 3.15Å; L191-C194 VanDerWaalsContact O-CB 3.24Å; L191-C194 WeakPolarHBondContact O-CB 3.45Å; L191-C194 PolarHBondContact O-N 3.03Å; L191-H200 HydrophobicContact CB-CB 4.31Å; L191-H200 HydrophobicContact CD1-CB 3.72Å
192D98.7Very high98.6Very high110 Ų11050.6 Ų50.659%0.58828%0.279SS*.THydrogen-bonded Turntrans-55.8-29.7173.5-73.3-21.6000113.3A188 E190 H200A188-D192 PolarHBondContact O-N 3.06Å; E190-D192 VanDerWaalsContact C-N 3.33Å; E190-D192 PolarHBondContact O-N 3.07Å; D192-H200 IonicContact OD1-CD2 3.24Å; D192-H200 IonicContact OD1-NE2 2.8Å; D192-H200 PolarHBondContact OD1-NE2 2.99Å
193K98.5Very high98.7Very high169 Ų16944.2 Ų44.274%0.73525%0.249SC*.THydrogen-bonded Turntrans-90.9-5.3-179.2-66170.8-171.21610112.8A189 E190 L191 V195A189-K193 WeakPolarHBondContact O-CD 3.39Å; A189-K193 WeakPolarHBondContact O-CE 3.4Å; A189-K193 WeakPolarHBondContact O-CG 3.39Å; E190-K193 PolarHBondContact O-N 3.49Å; E190-K193 VanDerWaalsContact O-N 3.1Å; L191-K193 PolarHBondContact O-N 3.15Å; L191-K193 VanDerWaalsContact O-N 3.15Å; K193-V195 PolarHBondContact O-N 2.67Å
194C98.5Very high98.7Very high22 Ų2241.6 Ų41.615%0.14924%0.235CC..SBendtrans-81.5109.6-176.8-170.60000110.4E190 L191 G196 V197E190-C194 PolarHBondContact O-N 3.12Å; L191-C194 VanDerWaalsContact O-CB 3.24Å; L191-C194 WeakPolarHBondContact O-CB 3.45Å; L191-C194 PolarHBondContact O-N 3.03Å; C194-G196 PolarHBondContact O-N 3.27Å; C194-G196 VanDerWaalsContact O-N 3.16Å; C194-V197 HydrophobicContact CB-CB 4.16Å; C194-V197 HydrophobicContact CB-CG2 3.63Å; C194-V197 WeakPolarHBondContact O-CB 3.11Å; C194-V197 PolarHBondContact O-N 3.13Å
195V98.6Very high98.6Very high140 Ų14045 Ų4585%0.84825%0.253SS*.THydrogen-bonded Turntrans-58.7122.5178.4177.70000110.4K193K193-V195 PolarHBondContact O-N 2.67Å
196G98.6Very high98.5Very high17 Ų1743.9 Ų43.918%0.17525%0.248CC..THydrogen-bonded Turntrans99.2-11.9-178.700000114V135 V136 C194V135-G196 CarbonylContact C-O 3.51Å; V135-G196 VanDerWaalsContact CA-O 3.25Å; V135-G196 WeakPolarHBondContact CA-O 3.1Å; V136-G196 PolarHBondContact N-O 3.47Å; C194-G196 PolarHBondContact O-N 3.27Å; C194-G196 VanDerWaalsContact O-N 3.16Å
197V98.9Very high98.5Very high24 Ų2442.1 Ų42.115%0.14523%0.232CC..EExtended strand (participates in β ladder)trans-74130160.2175.10000108.1V133 V135 V143 F147 C194V133-V197 HydrophobicContact CG1-CB 4.35Å; V133-V197 HydrophobicContact CG1-CG1 3.66Å; V133-V197 HydrophobicContact CG1-CG2 3.83Å; V135-V197 HydrophobicContact CG1-CG2 4.3Å; V143-V197 HydrophobicContact CG1-CG2 4.21Å; F147-V197 HydrophobicContact CZ-CG2 3.83Å; C194-V197 HydrophobicContact CB-CB 4.16Å; C194-V197 HydrophobicContact CB-CG2 3.63Å; C194-V197 WeakPolarHBondContact O-CB 3.11Å; C194-V197 PolarHBondContact O-N 3.13Å
198V98.9Very high98.4Very high49 Ų4943 Ų4330%0.29724%0.239SC..EExtended strand (participates in β ladder)trans-91.3-47.9174.7179.90000109.5L101 E134 V136L101-V198 HydrophobicContact CD1-CG1 4.17Å; L101-V198 HydrophobicContact CD2-CG1 3.9Å; E134-V198 HydrophobicContact CB-CB 4.48Å; E134-V198 HydrophobicContact CG-CB 4.36Å; E134-V198 PolarHBondContact O-N 2.85Å; V136-V198 HydrophobicContact CB-CG2 4.46Å; V136-V198 HydrophobicContact CG1-CG2 3.42Å; V136-V198 VanDerWaalsContact CG1-CG2 3.42Å
199E98.9Very high98.3Very high34 Ų3444.3 Ų44.316%0.15924%0.242CC..EExtended strand (participates in β ladder)trans-161.8162.6179.9-172.650.3-92.300110L101 K104 E134L101-E199 HydrophobicContact CB-CB 4.44Å; L101-E199 HydrophobicContact CD1-CB 3.85Å; L101-E199 HydrophobicContact CD1-CG 4.23Å; K104-E199 HydrophobicContact CD-CG 4.34Å; K104-E199 WeakPolarHBondContact CD-OE2 3.23Å; K104-E199 WeakPolarHBondContact CE-OE1 3.48Å; K104-E199 VanDerWaalsContact NZ-CD 3.26Å; K104-E199 IonicContact NZ-OE1 3.72Å; K104-E199 PolarHBondContact NZ-OE1 3.07Å; K104-E199 IonicContact NZ-OE2 3.81Å; E134-E199 PolarHBondContact N-O 2.96Å; E134-E199 PolarHBondContact O-N 3.42Å
200H98.9Very high98.3Very high6 Ų642.5 Ų42.53%0.02823%0.227CC..EExtended strand (participates in β ladder)trans-127.8158176.861.163.4000112.9K104 P132 V133 A188 L191 D192 L202K104-H200 WeakPolarHBondContact CE-O 3.36Å; K104-H200 PolarHBondContact NZ-ND1 3.13Å; K104-H200 PolarHBondContact NZ-O 3.33Å; P132-H200 CarbonylContact O-C 3.58Å; V133-H200 HydrophobicContact CG2-CB 4.3Å; A188-H200 VanDerWaalsContact CA-NE2 3.35Å; A188-H200 WeakPolarHBondContact CA-NE2 3.5Å; A188-H200 VanDerWaalsContact CB-CE1 3.42Å; A188-H200 WeakPolarHBondContact CB-CE1 3.43Å; A188-H200 WeakPolarHBondContact CB-NE2 3.32Å; A188-H200 PolarHBondContact O-NE2 3.11Å; L191-H200 HydrophobicContact CB-CB 4.31Å; L191-H200 HydrophobicContact CD1-CB 3.72Å; D192-H200 IonicContact OD1-CD2 3.24Å; D192-H200 IonicContact OD1-NE2 2.8Å; D192-H200 PolarHBondContact OD1-NE2 2.99Å; H200-L202 PolarHBondContact CE1-O 2.9Å; H200-L202 WeakPolarHBondContact ND1-CB 3.31Å; H200-L202 PolarHBondContact ND1-N 2.53Å; H200-L202 PolarHBondContact ND1-O 2.84Å; H200-L202 PolarHBondContact O-N 3.39Å
201G98.9Very high98.3Very high0 Ų039.2 Ų39.20%021%0.212CC..SBendtrans-73.5-4.5-175.600000115.5I93 K94 P132 F203I93-G201 CarbonylContact C-O 3.46Å; I93-G201 VanDerWaalsContact CA-O 3.32Å; I93-G201 WeakPolarHBondContact CA-O 3.47Å; K94-G201 PolarHBondContact N-O 2.81Å; K94-G201 WeakPolarHBondContact O-CA 3.45Å; P132-G201 PolarHBondContact O-N 2.88Å; G201-F203 WeakPolarHBondContact O-CD2 3.22Å; G201-F203 PolarHBondContact O-N 3.23Å
202L98.9Very high98.3Very high1 Ų139.6 Ų39.61%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-73.6116.5173.2-66.2165.5000110.8G92 I93 K104 L126 L131 I181 P184 L187 A188 H200 I204G92-L202 WeakPolarHBondContact O-CA 3.25Å; I93-L202 HydrophobicContact CG1-CD2 4.16Å; K104-L202 PolarHBondContact NZ-O 2.87Å; L126-L202 HydrophobicContact CD1-CD2 3.88Å; L131-L202 HydrophobicContact CD1-CD2 4.25Å; L131-L202 HydrophobicContact CD1-CG 3.74Å; L131-L202 HydrophobicContact CD2-CD1 3.91Å; L131-L202 HydrophobicContact CD2-CG 3.94Å; I181-L202 HydrophobicContact CD1-CD2 4.01Å; P184-L202 HydrophobicContact CB-CD2 4.1Å; L187-L202 HydrophobicContact CB-CD1 4.09Å; L187-L202 HydrophobicContact CD2-CD1 4.05Å; L187-L202 HydrophobicContact CG-CD1 3.96Å; A188-L202 HydrophobicContact CB-CB 4.41Å; A188-L202 HydrophobicContact CB-CD1 4.08Å; H200-L202 PolarHBondContact CE1-O 2.9Å; H200-L202 WeakPolarHBondContact ND1-CB 3.31Å; H200-L202 PolarHBondContact ND1-N 2.53Å; H200-L202 PolarHBondContact ND1-O 2.84Å; H200-L202 PolarHBondContact O-N 3.39Å; L202-I204 HydrophobicContact CB-CD1 3.92Å; L202-I204 HydrophobicContact CB-CG1 4.06Å; L202-I204 HydrophobicContact CD2-CD1 4.4Å
203F98.7Very high98.3Very high1 Ų134.4 Ų34.40%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-107.2104.1174.4-80.7-123000107.8G92 K94 L100 E103 K104 A107 W115 G201 M206G92-F203 PolarHBondContact N-O 2.69Å; G92-F203 VanDerWaalsContact N-O 3.11Å; G92-F203 PolarHBondContact O-N 2.9Å; K94-F203 HydrophobicContact CB-CD2 3.7Å; K94-F203 HydrophobicContact CB-CE2 3.53Å; K94-F203 HydrophobicContact CB-CG 4.41Å; K94-F203 HydrophobicContact CB-CZ 4.07Å; K94-F203 HydrophobicContact CD-CB 4.47Å; K94-F203 HydrophobicContact CD-CD1 3.71Å; K94-F203 HydrophobicContact CD-CD2 3.97Å; K94-F203 HydrophobicContact CD-CE1 3.77Å; K94-F203 HydrophobicContact CD-CE2 4.06Å; K94-F203 HydrophobicContact CD-CG 3.8Å; K94-F203 HydrophobicContact CD-CZ 3.94Å; K94-F203 VanDerWaalsContact CE-CE1 3.47Å; K94-F203 HydrophobicContact CG-CD2 4.16Å; K94-F203 HydrophobicContact CG-CE2 4.29Å; K94-F203 HydrophobicContact CG-CG 4.38Å; L100-F203 HydrophobicContact CB-CE2 4.48Å; E103-F203 HydrophobicContact CB-CE1 4.27Å; E103-F203 HydrophobicContact CB-CZ 3.85Å; K104-F203 HydrophobicContact CB-CE1 3.73Å; K104-F203 HydrophobicContact CB-CE2 4.17Å; K104-F203 HydrophobicContact CB-CZ 3.49Å; K104-F203 VanDerWaalsContact CB-CZ 3.49Å; K104-F203 VanDerWaalsContact CE-CE2 3.48Å; K104-F203 HydrophobicContact CG-CD1 4.24Å; K104-F203 HydrophobicContact CG-CE1 3.84Å; K104-F203 HydrophobicContact CG-CE2 4.41Å; K104-F203 HydrophobicContact CG-CZ 3.95Å; A107-F203 HydrophobicContact CB-CE1 4.41Å; W115-F203 HydrophobicContact CH2-CB 3.6Å; W115-F203 HydrophobicContact CZ2-CB 3.49Å; W115-F203 VanDerWaalsContact CZ2-CB 3.49Å; W115-F203 HydrophobicContact CZ2-CD1 4.03Å; W115-F203 HydrophobicContact CZ2-CG 4.03Å; G201-F203 WeakPolarHBondContact O-CD2 3.22Å; G201-F203 PolarHBondContact O-N 3.23Å; F203-M206 HydrophobicContact CB-SD 3.98Å; F203-M206 HydrophobicContact CD1-SD 3.45Å; F203-M206 WeakPolarHBondContact CD1-SD 3.47Å; F203-M206 HydrophobicContact CE1-SD 4.26Å; F203-M206 HydrophobicContact CG-SD 3.95Å
204I98Very high98.2Very high35 Ų3526.7 Ų26.718%0.17915%0.153CC..  trans-109.7126.4-165.1-56.6-53.5000110.2Q91 P184 H185 A188 L202 M206Q91-I204 HydrophobicContact CB-CD1 4.01Å; Q91-I204 HydrophobicContact CG-CD1 4.4Å; P184-I204 HydrophobicContact CB-CD1 3.82Å; P184-I204 HydrophobicContact CG-CD1 4.5Å; H185-I204 WeakPolarHBondContact CD2-CG2 3.21Å; H185-I204 WeakPolarHBondContact NE2-CG2 3.37Å; A188-I204 HydrophobicContact CB-CG1 4.19Å; L202-I204 HydrophobicContact CB-CD1 3.92Å; L202-I204 HydrophobicContact CB-CG1 4.06Å; L202-I204 HydrophobicContact CD2-CD1 4.4Å; I204-M206 WeakPolarHBondContact O-CG 3.43Å; I204-M206 PolarHBondContact O-N 2.92Å; I204-M206 VanDerWaalsContact O-N 3.17Å
205D97.3Very high97.9Very high82 Ų8230 Ų3044%0.43917%0.174SC..SBendtrans54.332176.9-63.4-33.6000114.6Q91 H185 K226Q91-D205 PolarHBondContact NE2-OD1 3.4Å; Q91-D205 PolarHBondContact OE1-OD1 2.72Å; H185-D205 IonicContact CD2-OD2 3.38Å; H185-D205 IonicContact CE1-OD2 2.74Å; H185-D205 IonicContact NE2-OD1 3.64Å; H185-D205 IonicContact NE2-OD2 3.8Å; H185-D205 PolarHBondContact NE2-OD2 3.18Å; D205-K226 VanDerWaalsContact CG-NZ 3.33Å; D205-K226 IonicContact OD1-NZ 3.61Å; D205-K226 PolarHBondContact OD1-NZ 3.49Å; D205-K226 IonicContact OD2-NZ 2.67Å; D205-K226 PolarHBondContact OD2-NZ 2.96Å
206M96.6Very high97.8Very high45 Ų4530.1 Ų30.122%0.22217%0.166CC..  trans-98.7-23.5-172.5-58.6-167.885.100115K104 A107 T108 C113 F203 I204K104-M206 HydrophobicContact CD-SD 4.42Å; K104-M206 HydrophobicContact CG-CE 3.93Å; K104-M206 HydrophobicContact CG-SD 3.98Å; A107-M206 HydrophobicContact CB-CE 3.75Å; T108-M206 WeakPolarHBondContact OG1-CE 3.35Å; C113-M206 WeakPolarHBondContact CB-O 3.4Å; F203-M206 HydrophobicContact CB-SD 3.98Å; F203-M206 HydrophobicContact CD1-SD 3.45Å; F203-M206 WeakPolarHBondContact CD1-SD 3.47Å; F203-M206 HydrophobicContact CE1-SD 4.26Å; F203-M206 HydrophobicContact CG-SD 3.95Å; I204-M206 WeakPolarHBondContact O-CG 3.43Å; I204-M206 PolarHBondContact O-N 2.92Å; I204-M206 VanDerWaalsContact O-N 3.17Å
207I97Very high97.6Very high15 Ų1530.1 Ų30.18%0.07717%0.166CC..  trans-101.9147.1-170.252.8156.2000113.3F90 C113 W115 V210 V223F90-I207 HydrophobicContact CB-CD1 4.1Å; F90-I207 HydrophobicContact CB-CG1 4.46Å; F90-I207 HydrophobicContact CD1-CD1 4.34Å; C113-I207 HydrophobicContact CB-CG2 4.15Å; W115-I207 HydrophobicContact CB-CG2 4.5Å; W115-I207 HydrophobicContact CD2-CD1 4.2Å; W115-I207 HydrophobicContact CD2-CG2 3.46Å; W115-I207 VanDerWaalsContact CD2-CG2 3.46Å; W115-I207 HydrophobicContact CE3-CD1 3.67Å; W115-I207 HydrophobicContact CE3-CG1 4.3Å; W115-I207 HydrophobicContact CE3-CG2 3.99Å; W115-I207 HydrophobicContact CG-CG2 3.67Å; W115-I207 HydrophobicContact CH2-CG2 4.34Å; W115-I207 HydrophobicContact CZ2-CG2 3.86Å; W115-I207 HydrophobicContact CZ3-CD1 4.03Å; W115-I207 HydrophobicContact CZ3-CG1 4.38Å; W115-I207 HydrophobicContact CZ3-CG2 4.4Å; I207-V210 HydrophobicContact CD1-CG2 3.39Å; I207-V223 HydrophobicContact CD1-CG2 3.86Å; I207-V223 HydrophobicContact CG1-CG2 3.99Å
208S97.3Very high97.6Very high36 Ų3631 Ų3125%0.25217%0.172SC..SBendtrans-99.7-23172.471.90000112.6D112 C113 V223D112-S208 WeakPolarHBondContact OD1-CB 3.22Å; D112-S208 PolarHBondContact OD1-OG 3.29Å; C113-S208 PolarHBondContact O-N 3.31Å; C113-S208 PolarHBondContact O-OG 3.49Å; S208-V223 VanDerWaalsContact C-CG2 3.48Å; S208-V223 WeakPolarHBondContact O-CB 3.46Å; S208-V223 PolarHBondContact O-N 2.8Å
209R97.8Very high97.5Very high38 Ų3833.6 Ų33.614%0.14318%0.18CC..EExtended strand (participates in β ladder)trans-155.4149.2-172.3179.5-176.3-71.1120.117.5111.8I114 W115 T220 L221 E222I114-R209 WeakPolarHBondContact CA-O 3.34Å; I114-R209 HydrophobicContact CG1-CB 4.21Å; W115-R209 PolarHBondContact N-O 2.81Å; R209-T220 HydrophobicContact CG-CG2 3.51Å; R209-L221 CarbonylContact C-O 3.56Å; R209-L221 VanDerWaalsContact CA-O 3.25Å; R209-L221 WeakPolarHBondContact CA-O 3.38Å; R209-L221 WeakPolarHBondContact CG-O 3.38Å; R209-E222 IonicContact CZ-OE1 3.91Å; R209-E222 IonicContact CZ-OE2 2.69Å; R209-E222 IonicContact NE-OE1 3.13Å; R209-E222 PolarHBondContact NE-OE1 3.29Å; R209-E222 IonicContact NE-OE2 3.47Å; R209-E222 PolarHBondContact NE-OE2 3.31Å; R209-E222 IonicContact NH2-OE1 3.03Å; R209-E222 PolarHBondContact NH2-OE1 3Å; R209-E222 IonicContact NH2-OE2 3.93Å; R209-E222 PolarHBondContact NH2-OE2 3.05Å
210V98.3Very high97.4Very high0 Ų034.8 Ų34.80%019%0.189CC..EExtended strand (participates in β ladder)trans-123135.6169.6-173.60000109.1I86 F90 W115 V117 M122 I207 V212 T220 L221I86-V210 HydrophobicContact CD1-CB 4.4Å; I86-V210 HydrophobicContact CD1-CG1 3.5Å; I86-V210 VanDerWaalsContact CD1-CG1 3.5Å; I86-V210 HydrophobicContact CD1-CG2 3.92Å; F90-V210 HydrophobicContact CD1-CG2 3.91Å; F90-V210 HydrophobicContact CE1-CG2 4.19Å; W115-V210 CarbonylContact O-C 3.52Å; W115-V210 WeakPolarHBondContact O-CA 3.39Å; V117-V210 HydrophobicContact CG2-CG1 3.83Å; M122-V210 HydrophobicContact SD-CG1 4.3Å; I207-V210 HydrophobicContact CD1-CG2 3.39Å; V210-V212 HydrophobicContact CG1-CG2 3.7Å; V210-T220 WeakPolarHBondContact O-CA 3.36Å; V210-L221 HydrophobicContact CB-CB 4.48Å; V210-L221 PolarHBondContact N-O 2.62Å; V210-L221 PolarHBondContact O-N 3.5Å
211I98.5Very high97.4Very high0 Ų037.7 Ų37.70%020%0.204CC..EExtended strand (participates in β ladder)trans-109.3112.1169.7-57.5169.9000107.5V7 E10 A11 F14 I114 W115 I116 V117 P218 K219 T220V7-I211 HydrophobicContact CB-CG2 4.08Å; V7-I211 HydrophobicContact CG1-CG2 3.97Å; E10-I211 HydrophobicContact CB-CG2 4.16Å; E10-I211 HydrophobicContact CG-CG2 4.08Å; A11-I211 HydrophobicContact CB-CD1 3.63Å; F14-I211 HydrophobicContact CD2-CD1 4.08Å; F14-I211 HydrophobicContact CE2-CD1 3.67Å; I114-I211 HydrophobicContact CG2-CD1 3.85Å; I114-I211 HydrophobicContact CG2-CG1 4.04Å; W115-I211 PolarHBondContact O-N 2.64Å; I116-I211 HydrophobicContact CG2-CB 4.21Å; I116-I211 HydrophobicContact CG2-CD1 4.44Å; V117-I211 PolarHBondContact N-O 3.04Å; I211-P218 HydrophobicContact CG2-CB 4.11Å; I211-K219 CarbonylContact C-O 3.57Å; I211-K219 WeakPolarHBondContact CA-O 3.28Å; I211-T220 HydrophobicContact CG1-CG2 4.45Å
212V98.3Very high97.3Very high8 Ų842.8 Ų42.85%0.04823%0.228CC..EExtended strand (participates in β ladder)trans-103.6122-175.2-1720000109.6V117 E119 M122 V210 T214 P218 K219 L221V117-V212 HydrophobicContact CG2-CB 4.49Å; V117-V212 HydrophobicContact CG2-CG1 4.44Å; V117-V212 HydrophobicContact CG2-CG2 4.09Å; V117-V212 CarbonylContact O-C 3.54Å; V117-V212 WeakPolarHBondContact O-CA 3.38Å; E119-V212 HydrophobicContact CB-CG1 4.03Å; M122-V212 HydrophobicContact CG-CG1 4.13Å; M122-V212 HydrophobicContact CG-CG2 4.19Å; M122-V212 HydrophobicContact SD-CG2 3.85Å; V210-V212 HydrophobicContact CG1-CG2 3.7Å; V212-T214 HydrophobicContact CG1-CG2 4.2Å; V212-T214 PolarHBondContact O-N 3.2Å; V212-P218 CarbonylContact O-C 3.56Å; V212-P218 WeakPolarHBondContact O-CA 3.34Å; V212-K219 PolarHBondContact N-O 3.25Å; V212-K219 PolarHBondContact O-N 3.26Å; V212-L221 HydrophobicContact CG2-CD1 3.93Å; V212-L221 HydrophobicContact CG2-CG 4.42Å
213G97.9Very high97.2Very high0 Ų044.3 Ų44.30%024%0.237CC..EExtended strand (participates in β ladder)trans-81.5115.2174.200000109.9V117 E119V117-G213 PolarHBondContact O-N 3.17Å; E119-G213 PolarHBondContact N-O 3.24Å; E119-G213 VanDerWaalsContact N-O 3.07Å
214T96.5Very high96.8Very high7 Ų748.7 Ų48.74%0.04327%0.266CS..EExtended strand (participates in β ladder)trans-115.4165173.984.70000110.5L3 E119 V212 E216 G217 K219L3-T214 WeakPolarHBondContact CD2-O 3.35Å; E119-T214 HydrophobicContact CB-CG2 4.48Å; V212-T214 HydrophobicContact CG1-CG2 4.2Å; V212-T214 PolarHBondContact O-N 3.2Å; T214-E216 WeakPolarHBondContact CB-OE2 3.33Å; T214-E216 PolarHBondContact O-N 2.79Å; T214-E216 VanDerWaalsContact O-N 3.13Å; T214-E216 PolarHBondContact OG1-N 3.3Å; T214-E216 PolarHBondContact OG1-OE2 3.43Å; T214-G217 PolarHBondContact N-O 3.18Å; T214-G217 VanDerWaalsContact N-O 3.15Å; T214-G217 PolarHBondContact O-N 3.08Å; T214-G217 PolarHBondContact OG1-O 2.79Å; T214-G217 VanDerWaalsContact OG1-O 3.12Å; T214-K219 HydrophobicContact CG2-CD 3.84Å; T214-K219 HydrophobicContact CG2-CG 4.25Å; T214-K219 WeakPolarHBondContact OG1-CE 3.46Å; T214-K219 PolarHBondContact OG1-NZ 3.05Å
215P93.8Very high96.1Very high92 Ų9257 Ų5760%0.59730%0.301SS*.THydrogen-bonded Turntrans-56-24.5173.6-27.336.3000114.2E119E119-P215 WeakPolarHBondContact OE1-CD 3.34Å; E119-P215 WeakPolarHBondContact OE2-CD 3.35Å
216E95.2Very high94.6Very high142 Ų14263.2 Ų63.266%0.66432%0.324SS*.THydrogen-bonded Turntrans-86.4-11.6177.8-52.878.7-144.500114T214 K219T214-E216 WeakPolarHBondContact CB-OE2 3.33Å; T214-E216 PolarHBondContact O-N 2.79Å; T214-E216 VanDerWaalsContact O-N 3.13Å; T214-E216 PolarHBondContact OG1-N 3.3Å; T214-E216 PolarHBondContact OG1-OE2 3.43Å; E216-K219 IonicContact OE2-NZ 2.62Å; E216-K219 PolarHBondContact OE2-NZ 2.85Å; E216-K219 VanDerWaalsContact OE2-NZ 3.08Å
217G95.6Very high94.5Very high18 Ų1864.1 Ų64.119%0.18633%0.329CS..EExtended strand (participates in β ladder)trans132.8175.7-175.400000113.2T214T214-G217 PolarHBondContact N-O 3.18Å; T214-G217 VanDerWaalsContact N-O 3.15Å; T214-G217 PolarHBondContact O-N 3.08Å; T214-G217 PolarHBondContact OG1-O 2.79Å; T214-G217 VanDerWaalsContact OG1-O 3.12Å
218P97.3Very high94.4Very high42 Ų4266.7 Ų66.727%0.27334%0.342SS..EExtended strand (participates in β ladder)trans-73.3131.717731.4-30.3000109.8L6 V7 E10 I211 V212L6-P218 HydrophobicContact CD2-CB 4.12Å; L6-P218 HydrophobicContact CD2-CG 4.27Å; L6-P218 HydrophobicContact CG-CB 4.29Å; L6-P218 HydrophobicContact CG-CG 4.18Å; V7-P218 HydrophobicContact CG1-CB 4.48Å; E10-P218 HydrophobicContact CB-CB 3.99Å; E10-P218 HydrophobicContact CB-CG 4.03Å; E10-P218 HydrophobicContact CG-CB 3.91Å; E10-P218 HydrophobicContact CG-CG 3.84Å; I211-P218 HydrophobicContact CG2-CB 4.11Å; V212-P218 CarbonylContact O-C 3.56Å; V212-P218 WeakPolarHBondContact O-CA 3.34Å
219K97.5Very high94.2Very high104 Ų10468.4 Ų68.445%0.45235%0.347SS..EExtended strand (participates in β ladder)trans-109.7129.1173.6-66.2177.5-170.2158.60108.9I211 V212 T214 E216I211-K219 CarbonylContact C-O 3.57Å; I211-K219 WeakPolarHBondContact CA-O 3.28Å; V212-K219 PolarHBondContact N-O 3.25Å; V212-K219 PolarHBondContact O-N 3.26Å; T214-K219 HydrophobicContact CG2-CD 3.84Å; T214-K219 HydrophobicContact CG2-CG 4.25Å; T214-K219 WeakPolarHBondContact OG1-CE 3.46Å; T214-K219 PolarHBondContact OG1-NZ 3.05Å; E216-K219 IonicContact OE2-NZ 2.62Å; E216-K219 PolarHBondContact OE2-NZ 2.85Å; E216-K219 VanDerWaalsContact OE2-NZ 3.08Å
220T97.7Very high94Very high58 Ų5870.2 Ų70.236%0.35636%0.359SS..EExtended strand (participates in β ladder)trans-97.8124.2175.7-61.70000109.4R209 V210 I211R209-T220 HydrophobicContact CG-CG2 3.51Å; V210-T220 WeakPolarHBondContact O-CA 3.36Å; I211-T220 HydrophobicContact CG1-CG2 4.45Å
221L97.3Very high93.7Very high67 Ų6774.6 Ų74.635%0.35138%0.382SS..EExtended strand (participates in β ladder)trans-110.4125.2176-55.6178.8000108.7F90 M122 R209 V210 V212F90-L221 HydrophobicContact CE1-CB 4.31Å; F90-L221 HydrophobicContact CE1-CD1 4.47Å; M122-L221 HydrophobicContact CE-CD1 4.3Å; R209-L221 CarbonylContact C-O 3.56Å; R209-L221 VanDerWaalsContact CA-O 3.25Å; R209-L221 WeakPolarHBondContact CA-O 3.38Å; R209-L221 WeakPolarHBondContact CG-O 3.38Å; V210-L221 HydrophobicContact CB-CB 4.48Å; V210-L221 PolarHBondContact N-O 2.62Å; V210-L221 PolarHBondContact O-N 3.5Å; V212-L221 HydrophobicContact CG2-CD1 3.93Å; V212-L221 HydrophobicContact CG2-CG 4.42Å
222E97.1Very high93.4Very high108 Ų10879.5 Ų79.551%0.50541%0.407SS..EExtended strand (participates in β ladder)trans-84.7133.5170.8-59.3-62.814900109.4R209 P224R209-E222 IonicContact CZ-OE1 3.91Å; R209-E222 IonicContact CZ-OE2 2.69Å; R209-E222 IonicContact NE-OE1 3.13Å; R209-E222 PolarHBondContact NE-OE1 3.29Å; R209-E222 IonicContact NE-OE2 3.47Å; R209-E222 PolarHBondContact NE-OE2 3.31Å; R209-E222 IonicContact NH2-OE1 3.03Å; R209-E222 PolarHBondContact NH2-OE1 3Å; R209-E222 IonicContact NH2-OE2 3.93Å; R209-E222 PolarHBondContact NH2-OE2 3.05Å; E222-P224 WeakPolarHBondContact O-CD 3.47Å
223V96.5Very high93.1Very high32 Ų3284.6 Ų84.619%0.19443%0.433CS..PPolyproline II helixtrans-77.3123.4173.2-177.70000108.1F90 I207 S208 K225F90-V223 HydrophobicContact CB-CG1 3.9Å; F90-V223 HydrophobicContact CB-CG2 3.97Å; F90-V223 HydrophobicContact CD1-CG2 3.72Å; F90-V223 HydrophobicContact CD2-CB 4.47Å; F90-V223 HydrophobicContact CD2-CG1 3.98Å; F90-V223 HydrophobicContact CD2-CG2 4.3Å; F90-V223 HydrophobicContact CE1-CG2 4.23Å; F90-V223 HydrophobicContact CG-CB 4.36Å; F90-V223 HydrophobicContact CG-CG1 3.99Å; F90-V223 HydrophobicContact CG-CG2 3.74Å; I207-V223 HydrophobicContact CD1-CG2 3.86Å; I207-V223 HydrophobicContact CG1-CG2 3.99Å; S208-V223 VanDerWaalsContact C-CG2 3.48Å; S208-V223 WeakPolarHBondContact O-CB 3.46Å; S208-V223 PolarHBondContact O-N 2.8Å; V223-K225 PolarHBondContact O-N 2.61Å
224P91.6Very high92.7Very high94 Ų9491.2 Ų91.261%0.6147%0.466SS*.PPolyproline II helixtrans-58.5130.3176.6-22.733.2000110.7E222 K226E222-P224 WeakPolarHBondContact O-CD 3.47Å; P224-K226 PolarHBondContact O-N 2.8Å
225K82.1Confident92.4Very high209 Ų20998.2 Ų98.291%0.90950%0.501SS*.PPolyproline II helixtrans-65.3124.9172.6-65.7-172.2177.6-1730109V223V223-K225 PolarHBondContact O-N 2.61Å
226K66.5Low92.2Very high212 Ų21298.7 Ų98.792%0.92249%0.493SS*.  trans-71.20170.3-71.2-178.2177.1174.90111.1D205 P224D205-K226 VanDerWaalsContact CG-NZ 3.33Å; D205-K226 IonicContact OD1-NZ 3.61Å; D205-K226 PolarHBondContact OD1-NZ 3.49Å; D205-K226 IonicContact OD2-NZ 2.67Å; D205-K226 PolarHBondContact OD2-NZ 2.96Å; P224-K226 PolarHBondContact O-N 2.8Å

Retrieved 226 of 226 residues in 478.1 ms (Link to these results)

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