A0A077YY01_TRITR Loading...

1,4-alpha-glucan branching enzyme

AlphaFold DB , UniProt , Accession A0A077YY01, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 689 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
1M45.3Very low65.3Low104 Ų10498.5 Ų98.551%0.51251%0.506SS..  0137.40-72.1-173.8-139.400107.8V3 I37 T315M1-V3 HydrophobicContact CB-CG2 4.32Å; M1-V3 PolarHBondContact O-N 3.49Å; M1-I37 HydrophobicContact SD-CG2 3.8Å; M1-T315 HydrophobicContact CE-CG2 4.08Å
2D35.7Very low67.9Low134 Ų13497.6 Ų97.672%0.71751%0.511SS*.  trans-76.684.1170-151.1-5.7000107.2L4 G5D2-L4 PolarHBondContact O-N 3.41Å; D2-G5 PolarHBondContact O-N 2.87Å
3V46.6Very low70.1Confident73 Ų7397.4 Ų97.444%0.44251%0.506SS..THydrogen-bonded Turntrans-60-16.3-172.7-175.50000111.7M1M1-V3 HydrophobicContact CB-CG2 4.32Å; M1-V3 PolarHBondContact O-N 3.49Å
4L44.2Very low72Confident174 Ų17490.4 Ų90.491%0.91147%0.47SS*.THydrogen-bonded Turntrans-90.2-11.2178.8-67.8166.5000113.8D2D2-L4 PolarHBondContact O-N 3.41Å
5G46.3Very low73.7Confident59 Ų5990.1 Ų90.161%0.60847%0.469SS*.THydrogen-bonded Turntrans-111.9-3.3-173.500000116.1D2 E7D2-G5 PolarHBondContact O-N 2.87Å; G5-E7 PolarHBondContact O-N 3.13Å
6S57.9Low75Confident23 Ų2387.6 Ų87.616%0.16146%0.457CS..  trans-69.4121.6179.962.90000110.7R8 I37S6-R8 PolarHBondContact O-N 3.01Å; S6-I37 WeakPolarHBondContact OG-CG1 3.36Å
7E70.2Confident76.2Confident166 Ų16682.6 Ų82.678%0.77643%0.431SS*.  trans-55.3127.6174.8-136.1175-175.100109.8G5 L9G5-E7 PolarHBondContact O-N 3.13Å; E7-L9 PolarHBondContact O-N 3.06Å; E7-L9 VanDerWaalsContact O-N 3.16Å
8R85.7Confident77.2Confident172 Ų17279.9 Ų79.965%0.64942%0.416SS*.  trans-68.1115.2175.3-67.7-178.9-175.2175.1-2.9107.5S6 S29 R33S6-R8 PolarHBondContact O-N 3.01Å; R8-S29 PolarHBondContact NH1-OG 3.35Å; R8-R33 HydrophobicContact CG-CB 4.44Å
9L93.7Very high78.1Confident77 Ų7784.2 Ų84.240%0.40343%0.432SS..  trans-115.5119.1179.7-168.776000109E7 S32 Y35 R39E7-L9 PolarHBondContact O-N 3.06Å; E7-L9 VanDerWaalsContact O-N 3.16Å; L9-S32 PolarHBondContact N-O 3.42Å; L9-S32 CarbonylContact O-C 3.52Å; L9-S32 VanDerWaalsContact O-CA 3.27Å; L9-S32 WeakPolarHBondContact O-CA 3.48Å; L9-S32 WeakPolarHBondContact O-CB 3.43Å; L9-Y35 HydrophobicContact CB-CD1 4.28Å; L9-Y35 HydrophobicContact CD2-CD1 4.02Å; L9-Y35 HydrophobicContact CD2-CE1 3.8Å; L9-Y35 HydrophobicContact CG-CD1 4.26Å; L9-Y35 HydrophobicContact CG-CE1 4.33Å; L9-Y35 WeakPolarHBondContact O-CD1 3.35Å; L9-R39 HydrophobicContact CD2-CB 4.1Å; L9-R39 HydrophobicContact CD2-CG 3.78Å
10R95.3Very high78.6Confident100 Ų10085.3 Ų85.338%0.37743%0.433SS..  trans-68.1132178.2-166.7-179.2-166.7-114.41.6109.8F14 N15 E28R10-F14 HydrophobicContact CG-CB 4.37Å; R10-N15 PolarHBondContact NH1-OD1 3.28Å; R10-N15 PolarHBondContact NH2-OD1 3.43Å; R10-E28 WeakPolarHBondContact CD-OE1 3.36Å; R10-E28 IonicContact CZ-OE1 3.47Å; R10-E28 IonicContact NE-OE1 3.48Å; R10-E28 PolarHBondContact NE-OE1 2.79Å; R10-E28 IonicContact NH2-OE1 2.68Å
11P96.8Very high79.3Confident1 Ų181.8 Ų81.81%0.00642%0.415CS..  trans-56.8137.9172.7-18.527.2000110.7E13 F14 I31 Y35 E410P11-E13 PolarHBondContact O-N 2.76Å; P11-F14 HydrophobicContact CB-CB 4.07Å; P11-F14 HydrophobicContact CG-CB 4.26Å; P11-F14 HydrophobicContact CG-CD2 4.2Å; P11-F14 HydrophobicContact CG-CG 4.48Å; P11-F14 WeakPolarHBondContact O-CB 3.41Å; P11-F14 PolarHBondContact O-N 3.06Å; P11-I31 HydrophobicContact CG-CG2 3.98Å; P11-Y35 HydrophobicContact CB-CD1 4.37Å; P11-Y35 HydrophobicContact CB-CD2 4.02Å; P11-Y35 HydrophobicContact CB-CE2 4.23Å; P11-Y35 HydrophobicContact CB-CG 4.11Å; P11-Y35 HydrophobicContact CG-CD1 4.31Å; P11-Y35 HydrophobicContact CG-CD2 4.05Å; P11-Y35 HydrophobicContact CG-CG 3.82Å; P11-E410 VanDerWaalsContact CB-O 3.22Å; P11-E410 WeakPolarHBondContact CB-O 3.33Å
12P96.9Very high81.7Confident88 Ų8879.3 Ų79.357%0.57142%0.417SS*.THydrogen-bonded Turntrans-61.5-31.9-172.824.3-34.6000112.6Y35 E410P12-Y35 VanDerWaalsContact CD-CZ 3.46Å; P12-Y35 WeakPolarHBondContact CD-OH 3.32Å; P12-E410 VanDerWaalsContact CD-O 3.3Å; P12-E410 WeakPolarHBondContact CD-O 3.42Å; P12-E410 HydrophobicContact CG-CB 4.14Å
13E97Very high84.4Confident95 Ų9581 Ų8144%0.44441%0.414SS..THydrogen-bonded Turntrans-109.820-178-58.3-163.7173.500113P11 N15 N16 E410 E411P11-E13 PolarHBondContact O-N 2.76Å; E13-N15 PolarHBondContact O-N 2.95Å; E13-N16 WeakPolarHBondContact O-CB 3.13Å; E13-N16 PolarHBondContact O-N 3.25Å; E13-N16 PolarHBondContact OE2-ND2 2.83Å; E13-E410 HydrophobicContact CG-CB 4.45Å; E13-E410 PolarHBondContact N-O 2.87Å; E13-E411 HydrophobicContact CB-CG 3.91Å
14F96.6Very high86.8Confident0 Ų077.5 Ų77.50%039%0.393CS..Hα-helixtrans-54.6-30.6-177.7-171.2-119.8000113.7R10 P11 N16 L17 L18 E28 I31 E411R10-F14 HydrophobicContact CG-CB 4.37Å; P11-F14 HydrophobicContact CB-CB 4.07Å; P11-F14 HydrophobicContact CG-CB 4.26Å; P11-F14 HydrophobicContact CG-CD2 4.2Å; P11-F14 HydrophobicContact CG-CG 4.48Å; P11-F14 WeakPolarHBondContact O-CB 3.41Å; P11-F14 PolarHBondContact O-N 3.06Å; F14-N16 PolarHBondContact O-N 3.39Å; F14-L17 HydrophobicContact CD2-CD2 4.25Å; F14-L17 HydrophobicContact CE2-CD2 4.03Å; F14-L17 WeakPolarHBondContact O-CB 3.45Å; F14-L17 PolarHBondContact O-N 2.89Å; F14-L18 HydrophobicContact CD1-CD1 3.86Å; F14-L18 HydrophobicContact CD1-CG 4.06Å; F14-L18 HydrophobicContact CE1-CD1 3.64Å; F14-L18 HydrophobicContact CE1-CD2 3.8Å; F14-L18 HydrophobicContact CE1-CG 3.77Å; F14-L18 HydrophobicContact CE2-CD2 4.49Å; F14-L18 HydrophobicContact CZ-CD1 4.43Å; F14-L18 HydrophobicContact CZ-CD2 3.75Å; F14-L18 HydrophobicContact CZ-CG 4.1Å; F14-L18 PolarHBondContact O-N 2.76Å; F14-L18 VanDerWaalsContact O-N 3.1Å; F14-E28 HydrophobicContact CD1-CG 4.06Å; F14-E28 HydrophobicContact CE1-CB 3.66Å; F14-E28 HydrophobicContact CE1-CG 3.45Å; F14-E28 VanDerWaalsContact CE1-CG 3.45Å; F14-E28 HydrophobicContact CZ-CB 3.97Å; F14-E28 HydrophobicContact CZ-CG 4.13Å; F14-I31 HydrophobicContact CD2-CG2 4.16Å; F14-I31 HydrophobicContact CE2-CB 4.26Å; F14-I31 HydrophobicContact CE2-CD1 3.67Å; F14-I31 HydrophobicContact CE2-CG2 3.82Å; F14-I31 HydrophobicContact CZ-CD1 3.97Å; F14-E411 WeakPolarHBondContact CD2-O 3.45Å
15N96.6Very high89.2Confident86 Ų8674.5 Ų74.546%0.4637%0.374SS..Hα-helixtrans-63.3-24.7175.9-70.6-20.9000113.3R10 E13 K19R10-N15 PolarHBondContact NH1-OD1 3.28Å; R10-N15 PolarHBondContact NH2-OD1 3.43Å; E13-N15 PolarHBondContact O-N 2.95Å; N15-K19 WeakPolarHBondContact O-CG 3.23Å; N15-K19 PolarHBondContact O-N 3.4Å
16N95.5Very high91.6Very high50 Ų5077.9 Ų77.927%0.26738%0.379SS..Hα-helixtrans-70.6-43.4174.6-69.1-20.4000110.3E13 F14 L18 K19 F20 E411E13-N16 WeakPolarHBondContact O-CB 3.13Å; E13-N16 PolarHBondContact O-N 3.25Å; E13-N16 PolarHBondContact OE2-ND2 2.83Å; F14-N16 PolarHBondContact O-N 3.39Å; N16-L18 PolarHBondContact O-N 2.8Å; N16-K19 WeakPolarHBondContact O-CB 3.35Å; N16-K19 PolarHBondContact O-N 3.41Å; N16-K19 PolarHBondContact OD1-NZ 2.8Å; N16-F20 VanDerWaalsContact O-CD2 3.29Å; N16-F20 WeakPolarHBondContact O-CD2 3.28Å; N16-E411 HydrophobicContact CB-CG 4.18Å; N16-E411 WeakPolarHBondContact CB-OE1 3.12Å
17L94.6Very high93.4Very high3 Ų378 Ų782%0.01638%0.376CS..Hα-helixtrans-59.9-45.3174.7-175.955.6000112F14 K19 F20 D21 L24 A404 R407 E411F14-L17 HydrophobicContact CD2-CD2 4.25Å; F14-L17 HydrophobicContact CE2-CD2 4.03Å; F14-L17 WeakPolarHBondContact O-CB 3.45Å; F14-L17 PolarHBondContact O-N 2.89Å; L17-K19 PolarHBondContact O-N 3.25Å; L17-F20 PolarHBondContact O-N 2.88Å; L17-D21 PolarHBondContact O-N 3.24Å; L17-L24 HydrophobicContact CD1-CD1 3.91Å; L17-L24 HydrophobicContact CD2-CD1 3.8Å; L17-L24 HydrophobicContact CG-CD1 3.68Å; L17-A404 HydrophobicContact CD1-CB 3.82Å; L17-A404 HydrophobicContact CD2-CB 3.7Å; L17-A404 HydrophobicContact CG-CB 4.4Å; L17-R407 HydrophobicContact CD1-CB 4.39Å; L17-R407 HydrophobicContact CD1-CG 3.89Å; L17-E411 HydrophobicContact CB-CB 4.27Å; L17-E411 WeakPolarHBondContact CD2-O 3.45Å
18L95.5Very high94.6Very high33 Ų3372 Ų7217%0.17335%0.348CS..Hα-helixtrans-63.7-22.6179.1-66.2-176.9000114.3F14 N16 D21 G22 L24 H25F14-L18 HydrophobicContact CD1-CD1 3.86Å; F14-L18 HydrophobicContact CD1-CG 4.06Å; F14-L18 HydrophobicContact CE1-CD1 3.64Å; F14-L18 HydrophobicContact CE1-CD2 3.8Å; F14-L18 HydrophobicContact CE1-CG 3.77Å; F14-L18 HydrophobicContact CE2-CD2 4.49Å; F14-L18 HydrophobicContact CZ-CD1 4.43Å; F14-L18 HydrophobicContact CZ-CD2 3.75Å; F14-L18 HydrophobicContact CZ-CG 4.1Å; F14-L18 PolarHBondContact O-N 2.76Å; F14-L18 VanDerWaalsContact O-N 3.1Å; N16-L18 PolarHBondContact O-N 2.8Å; L18-D21 CarbonylContact O-C 3.57Å; L18-G22 PolarHBondContact O-N 3.42Å; L18-L24 HydrophobicContact CD2-CB 4.04Å; L18-H25 HydrophobicContact CD2-CB 3.98Å
19K93.2Very high95Very high162 Ų16266.4 Ų66.470%0.70434%0.335SS*.Hα-helixtrans-71.3-34173.6-71.1165.8-169.1165.40111.8N15 N16 L17N15-K19 WeakPolarHBondContact O-CG 3.23Å; N15-K19 PolarHBondContact O-N 3.4Å; N16-K19 WeakPolarHBondContact O-CB 3.35Å; N16-K19 PolarHBondContact O-N 3.41Å; N16-K19 PolarHBondContact OD1-NZ 2.8Å; L17-K19 PolarHBondContact O-N 3.25Å
20F87.8Confident95.1Very high106 Ų10664.5 Ų64.547%0.46532%0.324SS..Hα-helixtrans-81.9-36.5176.4-71.1-77.3000111.4N16 L17 Y454N16-F20 VanDerWaalsContact O-CD2 3.29Å; N16-F20 WeakPolarHBondContact O-CD2 3.28Å; L17-F20 PolarHBondContact O-N 2.88Å; F20-Y454 HydrophobicContact CD1-CD1 4.08Å; F20-Y454 HydrophobicContact CD1-CE1 4.22Å; F20-Y454 HydrophobicContact CE1-CD1 4.32Å; F20-Y454 HydrophobicContact CE1-CE1 4.03Å
21D94.3Very high95.1Very high11 Ų1160.1 Ų60.16%0.05931%0.308CS..  trans-143.296.2-178-177.33000112.3L17 L18 Y23 L24 Y362 R453L17-D21 PolarHBondContact O-N 3.24Å; L18-D21 CarbonylContact O-C 3.57Å; D21-Y23 VanDerWaalsContact C-N 3.26Å; D21-Y23 PolarHBondContact O-N 2.82Å; D21-Y23 WeakPolarHBondContact OD1-CB 3.29Å; D21-Y23 PolarHBondContact OD1-N 2.69Å; D21-L24 HydrophobicContact CB-CD1 3.96Å; D21-L24 HydrophobicContact CB-CG 4.3Å; D21-L24 PolarHBondContact O-N 3.34Å; D21-L24 WeakPolarHBondContact OD2-CD1 3.23Å; D21-L24 WeakPolarHBondContact OD2-CG 3.44Å; D21-Y362 PolarHBondContact OD1-OH 2.77Å; D21-Y362 WeakPolarHBondContact OD2-CE2 3.49Å; D21-Y362 PolarHBondContact OD2-OH 2.8Å; D21-R453 IonicContact OD2-CZ 3.25Å; D21-R453 IonicContact OD2-NH2 2.97Å; D21-R453 PolarHBondContact OD2-NH2 2.83Å
22G94.5Very high95.1Very high53 Ų5360.4 Ų60.455%0.54631%0.31SS..G310 helixtrans-69.3-18.717900000114.4L18 L24 H25L18-G22 PolarHBondContact O-N 3.42Å; G22-L24 PolarHBondContact O-N 2.99Å; G22-H25 WeakPolarHBondContact O-CB 3.44Å; G22-H25 PolarHBondContact O-N 3.08Å
23Y94.2Very high95Very high169 Ų16958.2 Ų58.266%0.66329%0.291SS*.G310 helixtrans-68.4-25.6179.9-66.3-78.5000112D21 H25 N26D21-Y23 VanDerWaalsContact C-N 3.26Å; D21-Y23 PolarHBondContact O-N 2.82Å; D21-Y23 WeakPolarHBondContact OD1-CB 3.29Å; D21-Y23 PolarHBondContact OD1-N 2.69Å; Y23-H25 PolarHBondContact O-N 3.19Å; Y23-N26 PolarHBondContact O-N 2.67Å
24L95.6Very high95Very high0 Ų054.5 Ų54.50%027%0.272CS..G310 helixtrans-66.4-14.2176.9-66.1172.5000113.7L17 L18 D21 G22 N26 F27 E28 I31 Y362 F366 P403 A404L17-L24 HydrophobicContact CD1-CD1 3.91Å; L17-L24 HydrophobicContact CD2-CD1 3.8Å; L17-L24 HydrophobicContact CG-CD1 3.68Å; L18-L24 HydrophobicContact CD2-CB 4.04Å; D21-L24 HydrophobicContact CB-CD1 3.96Å; D21-L24 HydrophobicContact CB-CG 4.3Å; D21-L24 PolarHBondContact O-N 3.34Å; D21-L24 WeakPolarHBondContact OD2-CD1 3.23Å; D21-L24 WeakPolarHBondContact OD2-CG 3.44Å; G22-L24 PolarHBondContact O-N 2.99Å; L24-N26 PolarHBondContact O-N 3.16Å; L24-F27 CarbonylContact O-C 3.23Å; L24-F27 PolarHBondContact O-N 3.42Å; L24-E28 PolarHBondContact O-N 3.07Å; L24-I31 HydrophobicContact CB-CD1 4.34Å; L24-I31 HydrophobicContact CD2-CD1 4.33Å; L24-Y362 HydrophobicContact CD2-CD2 3.8Å; L24-Y362 HydrophobicContact CD2-CE2 3.8Å; L24-Y362 HydrophobicContact CG-CD2 4.44Å; L24-Y362 HydrophobicContact CG-CE2 4.05Å; L24-F366 HydrophobicContact CD2-CE2 3.55Å; L24-F366 HydrophobicContact CD2-CZ 3.54Å; L24-P403 HydrophobicContact CD1-CB 4.5Å; L24-P403 HydrophobicContact CD2-CB 3.99Å; L24-A404 HydrophobicContact CD1-CB 4.41Å
25H95.5Very high95Very high110 Ų11055.2 Ų55.251%0.50928%0.275SS..G310 helixtrans-59.1-35.3174.5-17353.7000111.8L18 G22 Y23 F27 E28L18-H25 HydrophobicContact CD2-CB 3.98Å; G22-H25 WeakPolarHBondContact O-CB 3.44Å; G22-H25 PolarHBondContact O-N 3.08Å; Y23-H25 PolarHBondContact O-N 3.19Å; H25-F27 PolarHBondContact O-N 2.75Å; H25-E28 IonicContact CE1-OE2 3.59Å; H25-E28 PolarHBondContact CE1-OE2 2.94Å; H25-E28 VanDerWaalsContact CE1-OE2 3.31Å; H25-E28 IonicContact ND1-OE2 3.8Å; H25-E28 PolarHBondContact ND1-OE2 3.44Å; H25-E28 WeakPolarHBondContact O-CB 3.48Å; H25-E28 PolarHBondContact O-N 2.91Å
26N95.8Very high95Very high131 Ų13151.1 Ų51.170%0.70125%0.254SS*.G310 helixtrans-65.4-19.5176.7-66.4-27.2000113.2Y23 L24Y23-N26 PolarHBondContact O-N 2.67Å; L24-N26 PolarHBondContact O-N 3.16Å
27F95.7Very high95.1Very high26 Ų2649.2 Ų49.211%0.11424%0.244CC..G310 helixtrans-111.29.2-177.9-56.3-81000112.6L24 H25 S29 E30 I31 Y362 F366L24-F27 CarbonylContact O-C 3.23Å; L24-F27 PolarHBondContact O-N 3.42Å; H25-F27 PolarHBondContact O-N 2.75Å; F27-S29 PolarHBondContact O-N 3.48Å; F27-S29 VanDerWaalsContact O-N 3.15Å; F27-E30 PolarHBondContact O-N 3.2Å; F27-I31 PolarHBondContact O-N 2.89Å; F27-Y362 HydrophobicContact CD2-CD2 4.32Å; F27-Y362 HydrophobicContact CE2-CD2 4.11Å; F27-Y362 HydrophobicContact CE2-CG 4.18Å; F27-F366 HydrophobicContact CB-CB 4.24Å; F27-F366 HydrophobicContact CB-CD1 4.34Å; F27-F366 HydrophobicContact CB-CD2 4.12Å; F27-F366 HydrophobicContact CB-CG 3.98Å; F27-F366 HydrophobicContact CD1-CB 3.35Å; F27-F366 AromaticContact CD1-CD2 3.93Å; F27-F366 HydrophobicContact CD1-CD2 3.93Å; F27-F366 AromaticContact CD1-CG 3.85Å; F27-F366 HydrophobicContact CD1-CG 3.85Å; F27-F366 HydrophobicContact CD2-CD2 4.04Å; F27-F366 HydrophobicContact CE1-CB 3.88Å; F27-F366 HydrophobicContact CE1-CD2 4.34Å; F27-F366 HydrophobicContact CE2-CD2 4.48Å; F27-F366 HydrophobicContact CG-CB 3.93Å; F27-F366 AromaticContact CG-CD2 3.74Å; F27-F366 HydrophobicContact CG-CD2 3.74Å; F27-F366 HydrophobicContact CG-CE2 4.49Å; F27-F366 AromaticContact CG-CG 3.89Å; F27-F366 HydrophobicContact CG-CG 3.89Å
28E95.6Very high95.2Very high40 Ų4049.1 Ų49.119%0.18724%0.243CC..Hα-helixtrans-53.2-38.7-179.6176.3167.3174.100112.5R10 F14 L24 H25 E30 I31 S32R10-E28 WeakPolarHBondContact CD-OE1 3.36Å; R10-E28 IonicContact CZ-OE1 3.47Å; R10-E28 IonicContact NE-OE1 3.48Å; R10-E28 PolarHBondContact NE-OE1 2.79Å; R10-E28 IonicContact NH2-OE1 2.68Å; F14-E28 HydrophobicContact CD1-CG 4.06Å; F14-E28 HydrophobicContact CE1-CB 3.66Å; F14-E28 HydrophobicContact CE1-CG 3.45Å; F14-E28 VanDerWaalsContact CE1-CG 3.45Å; F14-E28 HydrophobicContact CZ-CB 3.97Å; F14-E28 HydrophobicContact CZ-CG 4.13Å; L24-E28 PolarHBondContact O-N 3.07Å; H25-E28 IonicContact CE1-OE2 3.59Å; H25-E28 PolarHBondContact CE1-OE2 2.94Å; H25-E28 VanDerWaalsContact CE1-OE2 3.31Å; H25-E28 IonicContact ND1-OE2 3.8Å; H25-E28 PolarHBondContact ND1-OE2 3.44Å; H25-E28 WeakPolarHBondContact O-CB 3.48Å; H25-E28 PolarHBondContact O-N 2.91Å; E28-E30 VanDerWaalsContact C-N 3.35Å; E28-E30 PolarHBondContact O-N 3.12Å; E28-I31 PolarHBondContact O-N 3.24Å; E28-S32 WeakPolarHBondContact O-CB 3.38Å; E28-S32 PolarHBondContact O-N 2.9Å; E28-S32 PolarHBondContact O-OG 3.42Å
29S94.7Very high95.2Very high54 Ų5450.7 Ų50.738%0.37825%0.246SC..Hα-helixtrans-60.2-43.4177173.80000112.4R8 F27 R33R8-S29 PolarHBondContact NH1-OG 3.35Å; F27-S29 PolarHBondContact O-N 3.48Å; F27-S29 VanDerWaalsContact O-N 3.15Å; S29-R33 WeakPolarHBondContact O-CB 3.45Å; S29-R33 PolarHBondContact O-N 3.12Å
30E94.9Very high95.4Very high37 Ų3746.5 Ų46.517%0.17323%0.232CC..Hα-helixtrans-74.3-42-179175.354.3-160.400110.9F27 E28 S32 R33 R34 F366F27-E30 PolarHBondContact O-N 3.2Å; E28-E30 VanDerWaalsContact C-N 3.35Å; E28-E30 PolarHBondContact O-N 3.12Å; E30-S32 VanDerWaalsContact C-N 3.32Å; E30-S32 PolarHBondContact O-N 2.91Å; E30-R33 WeakPolarHBondContact O-CB 3.25Å; E30-R33 PolarHBondContact O-N 2.87Å; E30-R33 VanDerWaalsContact O-N 3.16Å; E30-R33 IonicContact OE1-CZ 2.67Å; E30-R33 IonicContact OE1-NE 2.82Å; E30-R33 IonicContact OE1-NH2 2.99Å; E30-R33 PolarHBondContact OE1-NH2 3.41Å; E30-R33 IonicContact OE2-CZ 2.67Å; E30-R33 IonicContact OE2-NE 3.52Å; E30-R33 PolarHBondContact OE2-NE 2.88Å; E30-R33 IonicContact OE2-NH2 2.71Å; E30-R33 PolarHBondContact OE2-NH2 3.16Å; E30-R34 WeakPolarHBondContact O-CG 3.35Å; E30-R34 PolarHBondContact O-N 2.66Å; E30-R34 IonicContact OE1-CZ 2.87Å; E30-R34 IonicContact OE1-NE 3.95Å; E30-R34 PolarHBondContact OE1-NE 3.05Å; E30-R34 IonicContact OE1-NH2 3.42Å; E30-R34 PolarHBondContact OE1-NH2 2.74Å; E30-F366 HydrophobicContact CG-CB 4.45Å; E30-F366 HydrophobicContact CG-CD1 4.48Å
31I95.9Very high95.7Very high7 Ų741.7 Ų41.74%0.03621%0.211CC..Hα-helixtrans-60.6-43.5174.6-63.9170.7000110.6P11 F14 L24 F27 E28 R33 R34 Y35 F366P11-I31 HydrophobicContact CG-CG2 3.98Å; F14-I31 HydrophobicContact CD2-CG2 4.16Å; F14-I31 HydrophobicContact CE2-CB 4.26Å; F14-I31 HydrophobicContact CE2-CD1 3.67Å; F14-I31 HydrophobicContact CE2-CG2 3.82Å; F14-I31 HydrophobicContact CZ-CD1 3.97Å; L24-I31 HydrophobicContact CB-CD1 4.34Å; L24-I31 HydrophobicContact CD2-CD1 4.33Å; F27-I31 PolarHBondContact O-N 2.89Å; E28-I31 PolarHBondContact O-N 3.24Å; I31-R33 VanDerWaalsContact C-N 3.31Å; I31-R33 PolarHBondContact O-N 3.06Å; I31-R34 PolarHBondContact O-N 2.98Å; I31-Y35 WeakPolarHBondContact O-CB 3.35Å; I31-Y35 PolarHBondContact O-N 2.67Å; I31-F366 HydrophobicContact CD1-CE1 4.23Å; I31-F366 HydrophobicContact CG1-CD1 4.43Å; I31-F366 HydrophobicContact CG1-CE1 4.02Å
32S96.1Very high95.8Very high7 Ų741.2 Ų41.25%0.04921%0.209CC..Hα-helixtrans-66.6-32.2176.7-58.20000112.7L9 E28 E30 G36L9-S32 PolarHBondContact N-O 3.42Å; L9-S32 CarbonylContact O-C 3.52Å; L9-S32 VanDerWaalsContact O-CA 3.27Å; L9-S32 WeakPolarHBondContact O-CA 3.48Å; L9-S32 WeakPolarHBondContact O-CB 3.43Å; E28-S32 WeakPolarHBondContact O-CB 3.38Å; E28-S32 PolarHBondContact O-N 2.9Å; E28-S32 PolarHBondContact O-OG 3.42Å; E30-S32 VanDerWaalsContact C-N 3.32Å; E30-S32 PolarHBondContact O-N 2.91Å; S32-G36 PolarHBondContact O-N 3.15Å
33R96Very high95.8Very high43 Ų4343.1 Ų43.116%0.16220%0.204CC..Hα-helixtrans-65.9-49.8172.6-171.6-1727084.94.1110.7R8 S29 E30 I31 Y35 G36 I37 T372R8-R33 HydrophobicContact CG-CB 4.44Å; S29-R33 WeakPolarHBondContact O-CB 3.45Å; S29-R33 PolarHBondContact O-N 3.12Å; E30-R33 WeakPolarHBondContact O-CB 3.25Å; E30-R33 PolarHBondContact O-N 2.87Å; E30-R33 VanDerWaalsContact O-N 3.16Å; E30-R33 IonicContact OE1-CZ 2.67Å; E30-R33 IonicContact OE1-NE 2.82Å; E30-R33 IonicContact OE1-NH2 2.99Å; E30-R33 PolarHBondContact OE1-NH2 3.41Å; E30-R33 IonicContact OE2-CZ 2.67Å; E30-R33 IonicContact OE2-NE 3.52Å; E30-R33 PolarHBondContact OE2-NE 2.88Å; E30-R33 IonicContact OE2-NH2 2.71Å; E30-R33 PolarHBondContact OE2-NH2 3.16Å; I31-R33 VanDerWaalsContact C-N 3.31Å; I31-R33 PolarHBondContact O-N 3.06Å; R33-Y35 PolarHBondContact O-N 2.88Å; R33-G36 PolarHBondContact O-N 3Å; R33-I37 HydrophobicContact CG-CD1 4.36Å; R33-I37 WeakPolarHBondContact O-CG1 3.39Å; R33-I37 PolarHBondContact O-N 2.88Å; R33-T372 PolarHBondContact NH2-OG1 3.04Å
34R95.9Very high95.9Very high16 Ų1638.9 Ų38.96%0.0619%0.186CC..Hα-helixtrans-57.8-47177.4-67.1173.1-174.4-172.7-0.3111.3E30 I31 G36 I37 F38 Y365 A370 T372E30-R34 WeakPolarHBondContact O-CG 3.35Å; E30-R34 PolarHBondContact O-N 2.66Å; E30-R34 IonicContact OE1-CZ 2.87Å; E30-R34 IonicContact OE1-NE 3.95Å; E30-R34 PolarHBondContact OE1-NE 3.05Å; E30-R34 IonicContact OE1-NH2 3.42Å; E30-R34 PolarHBondContact OE1-NH2 2.74Å; I31-R34 PolarHBondContact O-N 2.98Å; R34-G36 PolarHBondContact O-N 2.6Å; R34-I37 PolarHBondContact O-N 3.14Å; R34-F38 PolarHBondContact O-N 2.99Å; R34-Y365 PolarHBondContact NH2-O 3.32Å; R34-A370 VanDerWaalsContact NH2-CB 3.26Å; R34-T372 HydrophobicContact CG-CG2 4.25Å
35Y97.4Very high95.9Very high15 Ų1539 Ų396%0.05919%0.187CC..Hα-helixtrans-63.4-39.9177.6-172.2-97.5000112.7L9 P11 P12 I31 R33 I37 F38 R39 M379 V409L9-Y35 HydrophobicContact CB-CD1 4.28Å; L9-Y35 HydrophobicContact CD2-CD1 4.02Å; L9-Y35 HydrophobicContact CD2-CE1 3.8Å; L9-Y35 HydrophobicContact CG-CD1 4.26Å; L9-Y35 HydrophobicContact CG-CE1 4.33Å; L9-Y35 WeakPolarHBondContact O-CD1 3.35Å; P11-Y35 HydrophobicContact CB-CD1 4.37Å; P11-Y35 HydrophobicContact CB-CD2 4.02Å; P11-Y35 HydrophobicContact CB-CE2 4.23Å; P11-Y35 HydrophobicContact CB-CG 4.11Å; P11-Y35 HydrophobicContact CG-CD1 4.31Å; P11-Y35 HydrophobicContact CG-CD2 4.05Å; P11-Y35 HydrophobicContact CG-CG 3.82Å; P12-Y35 VanDerWaalsContact CD-CZ 3.46Å; P12-Y35 WeakPolarHBondContact CD-OH 3.32Å; I31-Y35 WeakPolarHBondContact O-CB 3.35Å; I31-Y35 PolarHBondContact O-N 2.67Å; R33-Y35 PolarHBondContact O-N 2.88Å; Y35-I37 VanDerWaalsContact C-N 3.34Å; Y35-I37 PolarHBondContact O-N 3.23Å; Y35-F38 AromaticContact CD2-CD1 4Å; Y35-F38 HydrophobicContact CD2-CD1 4Å; Y35-F38 HydrophobicContact CD2-CE1 4.5Å; Y35-F38 AromaticContact CE2-CD1 3.92Å; Y35-F38 HydrophobicContact CE2-CD1 3.92Å; Y35-F38 AromaticContact CE2-CE1 3.98Å; Y35-F38 HydrophobicContact CE2-CE1 3.98Å; Y35-F38 WeakPolarHBondContact O-CB 3.39Å; Y35-F38 PolarHBondContact O-N 3.21Å; Y35-R39 HydrophobicContact CD1-CG 3.89Å; Y35-R39 HydrophobicContact CE1-CG 3.49Å; Y35-R39 VanDerWaalsContact CE1-CG 3.49Å; Y35-R39 HydrophobicContact CE2-CG 4.44Å; Y35-R39 WeakPolarHBondContact O-CB 3.26Å; Y35-R39 WeakPolarHBondContact O-CG 3.47Å; Y35-R39 PolarHBondContact O-N 3.23Å; Y35-M379 HydrophobicContact CD2-CE 4.01Å; Y35-V409 HydrophobicContact CE2-CG1 4.42Å; Y35-V409 WeakPolarHBondContact CE2-O 3.5Å
36G97.1Very high95.9Very high1 Ų137.2 Ų37.21%0.0118%0.181CC..Hα-helixtrans-58.7-42.6172.700000112.9S32 R33 R34 R39 N40S32-G36 PolarHBondContact O-N 3.15Å; R33-G36 PolarHBondContact O-N 3Å; R34-G36 PolarHBondContact O-N 2.6Å; G36-R39 PolarHBondContact O-N 3.15Å; G36-N40 WeakPolarHBondContact O-CB 3.42Å; G36-N40 PolarHBondContact O-N 3.48Å; G36-N40 PolarHBondContact O-ND2 2.71Å
37I96.3Very high95.9Very high10 Ų1039.5 Ų39.55%0.05119%0.185CC..Hα-helixtrans-65.7-44.4176.4-61.8164.6000111.1M1 S6 R33 R34 Y35 R39 N40 A41 T372 V376M1-I37 HydrophobicContact SD-CG2 3.8Å; S6-I37 WeakPolarHBondContact OG-CG1 3.36Å; R33-I37 HydrophobicContact CG-CD1 4.36Å; R33-I37 WeakPolarHBondContact O-CG1 3.39Å; R33-I37 PolarHBondContact O-N 2.88Å; R34-I37 PolarHBondContact O-N 3.14Å; Y35-I37 VanDerWaalsContact C-N 3.34Å; Y35-I37 PolarHBondContact O-N 3.23Å; I37-R39 VanDerWaalsContact C-N 3.34Å; I37-R39 PolarHBondContact O-N 3.27Å; I37-N40 PolarHBondContact O-N 3.09Å; I37-A41 PolarHBondContact O-N 3.21Å; I37-T372 HydrophobicContact CD1-CG2 3.58Å; I37-V376 HydrophobicContact CB-CG2 4.01Å; I37-V376 HydrophobicContact CG2-CG1 4.35Å; I37-V376 HydrophobicContact CG2-CG2 3.75Å
38F97.2Very high95.8Very high1 Ų143.3 Ų43.30%0.00421%0.207CC..Hα-helixtrans-56-47.2173.5157.4-100.9000112R34 Y35 A41 L42 V376 M379 L380 Y383 V409R34-F38 PolarHBondContact O-N 2.99Å; Y35-F38 AromaticContact CD2-CD1 4Å; Y35-F38 HydrophobicContact CD2-CD1 4Å; Y35-F38 HydrophobicContact CD2-CE1 4.5Å; Y35-F38 AromaticContact CE2-CD1 3.92Å; Y35-F38 HydrophobicContact CE2-CD1 3.92Å; Y35-F38 AromaticContact CE2-CE1 3.98Å; Y35-F38 HydrophobicContact CE2-CE1 3.98Å; Y35-F38 WeakPolarHBondContact O-CB 3.39Å; Y35-F38 PolarHBondContact O-N 3.21Å; F38-A41 WeakPolarHBondContact O-CB 3.25Å; F38-A41 PolarHBondContact O-N 3.15Å; F38-L42 HydrophobicContact CZ-CD2 4.22Å; F38-L42 PolarHBondContact O-N 2.69Å; F38-V376 HydrophobicContact CB-CG1 4.35Å; F38-V376 HydrophobicContact CB-CG2 4.48Å; F38-M379 HydrophobicContact CB-CE 3.74Å; F38-M379 HydrophobicContact CB-SD 4.09Å; F38-M379 HydrophobicContact CD1-CE 4.03Å; F38-M379 HydrophobicContact CD2-CB 3.69Å; F38-M379 HydrophobicContact CD2-CE 4.44Å; F38-M379 HydrophobicContact CE2-CB 4.18Å; F38-M379 HydrophobicContact CG-CB 4.23Å; F38-M379 HydrophobicContact CG-CE 3.81Å; F38-L380 HydrophobicContact CD2-CD2 3.85Å; F38-L380 HydrophobicContact CD2-CG 3.96Å; F38-L380 HydrophobicContact CE2-CD2 3.8Å; F38-L380 HydrophobicContact CE2-CG 4.22Å; F38-Y383 HydrophobicContact CE2-CD1 4.35Å; F38-Y383 HydrophobicContact CE2-CG 4.19Å; F38-Y383 AromaticContact CZ-CD1 3.93Å; F38-Y383 HydrophobicContact CZ-CD1 3.93Å; F38-Y383 HydrophobicContact CZ-CD2 4.04Å; F38-Y383 HydrophobicContact CZ-CE1 4.46Å; F38-Y383 AromaticContact CZ-CG 3.71Å; F38-Y383 HydrophobicContact CZ-CG 3.71Å; F38-V409 HydrophobicContact CD1-CG1 4.03Å; F38-V409 HydrophobicContact CD2-CG1 4.45Å; F38-V409 HydrophobicContact CE1-CG1 3.61Å; F38-V409 HydrophobicContact CE2-CG1 4.06Å; F38-V409 HydrophobicContact CG-CG1 4.44Å; F38-V409 HydrophobicContact CZ-CG1 3.64Å
39R96.5Very high95.8Very high65 Ų6543.4 Ų43.425%0.24521%0.207CC..Hα-helixtrans-64.1-42.2179.4-76-63.9-52.7-179.36.7112.7L9 Y35 G36 I37 A41 L42 E43L9-R39 HydrophobicContact CD2-CB 4.1Å; L9-R39 HydrophobicContact CD2-CG 3.78Å; Y35-R39 HydrophobicContact CD1-CG 3.89Å; Y35-R39 HydrophobicContact CE1-CG 3.49Å; Y35-R39 VanDerWaalsContact CE1-CG 3.49Å; Y35-R39 HydrophobicContact CE2-CG 4.44Å; Y35-R39 WeakPolarHBondContact O-CB 3.26Å; Y35-R39 WeakPolarHBondContact O-CG 3.47Å; Y35-R39 PolarHBondContact O-N 3.23Å; G36-R39 PolarHBondContact O-N 3.15Å; I37-R39 VanDerWaalsContact C-N 3.34Å; I37-R39 PolarHBondContact O-N 3.27Å; R39-A41 VanDerWaalsContact C-N 3.31Å; R39-A41 PolarHBondContact O-N 2.82Å; R39-L42 PolarHBondContact O-N 3.46Å; R39-E43 IonicContact CZ-OE1 3.61Å; R39-E43 IonicContact NE-OE1 3.19Å; R39-E43 IonicContact NH2-OE1 3.1Å; R39-E43 PolarHBondContact NH2-OE1 3.47Å; R39-E43 WeakPolarHBondContact O-CB 3.39Å; R39-E43 WeakPolarHBondContact O-CG 3.35Å; R39-E43 PolarHBondContact O-N 3.47Å
40N95.8Very high95.7Very high75 Ų7543.6 Ų43.640%0.40122%0.217SC..Hα-helixtrans-61.5-40.2174.1-71-26.8000111.9G36 I37 R44G36-N40 WeakPolarHBondContact O-CB 3.42Å; G36-N40 PolarHBondContact O-N 3.48Å; G36-N40 PolarHBondContact O-ND2 2.71Å; I37-N40 PolarHBondContact O-N 3.09Å; N40-R44 WeakPolarHBondContact O-CB 3.49Å; N40-R44 PolarHBondContact O-N 3.03Å
41A95.4Very high95.7Very high4 Ų442.4 Ų42.43%0.03322%0.216CC..Hα-helixtrans-64.7-43.6176.100000111.6I37 F38 R39 R44 I45 V376 L380I37-A41 PolarHBondContact O-N 3.21Å; F38-A41 WeakPolarHBondContact O-CB 3.25Å; F38-A41 PolarHBondContact O-N 3.15Å; R39-A41 VanDerWaalsContact C-N 3.31Å; R39-A41 PolarHBondContact O-N 2.82Å; A41-R44 PolarHBondContact O-N 3.05Å; A41-I45 WeakPolarHBondContact O-CG1 3.38Å; A41-I45 PolarHBondContact O-N 3.44Å; A41-I45 VanDerWaalsContact O-N 3.1Å; A41-V376 HydrophobicContact CB-CG1 4.4Å; A41-L380 HydrophobicContact CB-CD1 3.99Å; A41-L380 HydrophobicContact CB-CD2 4.46Å
42L95.4Very high95.7Very high1 Ų142.5 Ų42.51%0.00522%0.216CC..Hα-helixtrans-61.9-47.5176.5-178.361.6000112F38 R39 R44 I45 D46 L52 L380 Y383F38-L42 HydrophobicContact CZ-CD2 4.22Å; F38-L42 PolarHBondContact O-N 2.69Å; R39-L42 PolarHBondContact O-N 3.46Å; L42-R44 VanDerWaalsContact C-N 3.29Å; L42-R44 PolarHBondContact O-N 2.75Å; L42-I45 WeakPolarHBondContact O-CB 3.43Å; L42-I45 PolarHBondContact O-N 3.11Å; L42-I45 VanDerWaalsContact O-N 3.1Å; L42-D46 PolarHBondContact O-N 3.48Å; L42-L52 HydrophobicContact CD1-CD1 3.51Å; L42-L52 HydrophobicContact CD1-CD2 3.73Å; L42-L52 HydrophobicContact CD1-CG 3.57Å; L42-L380 HydrophobicContact CB-CD2 4.44Å; L42-Y383 HydrophobicContact CD1-CE1 4.23Å; L42-Y383 HydrophobicContact CD2-CD1 4.35Å; L42-Y383 HydrophobicContact CD2-CE1 3.71Å
43E95.8Very high95.7Very high94 Ų9445.4 Ų45.444%0.43923%0.231SC..Hα-helixtrans-63.6-35.1179.2-74.5171-163.900112.4R39 D46 K47R39-E43 IonicContact CZ-OE1 3.61Å; R39-E43 IonicContact NE-OE1 3.19Å; R39-E43 IonicContact NH2-OE1 3.1Å; R39-E43 PolarHBondContact NH2-OE1 3.47Å; R39-E43 WeakPolarHBondContact O-CB 3.39Å; R39-E43 WeakPolarHBondContact O-CG 3.35Å; R39-E43 PolarHBondContact O-N 3.47Å; E43-D46 PolarHBondContact O-N 3.01Å; E43-K47 VanDerWaalsContact O-CB 3.22Å; E43-K47 WeakPolarHBondContact O-CB 3.49Å; E43-K47 PolarHBondContact O-N 2.95Å
44R95.2Very high95.7Very high79 Ų7950 Ų5030%0.29825%0.252SS..Hα-helixtrans-63.8-42.6172.7-174.617865.5-179.72.2111.6N40 A41 L42 N48N40-R44 WeakPolarHBondContact O-CB 3.49Å; N40-R44 PolarHBondContact O-N 3.03Å; A41-R44 PolarHBondContact O-N 3.05Å; L42-R44 VanDerWaalsContact C-N 3.29Å; L42-R44 PolarHBondContact O-N 2.75Å; R44-N48 VanDerWaalsContact O-CB 3.31Å; R44-N48 WeakPolarHBondContact O-CB 3.39Å; R44-N48 PolarHBondContact O-N 3.48Å
45I96.2Very high95.8Very high3 Ų349.3 Ų49.32%0.01525%0.25CC..Hα-helixtrans-64.3-47.8176-68.3164.4000110A41 L42 K47 E49 G51 L52 F55 L380A41-I45 WeakPolarHBondContact O-CG1 3.38Å; A41-I45 PolarHBondContact O-N 3.44Å; A41-I45 VanDerWaalsContact O-N 3.1Å; L42-I45 WeakPolarHBondContact O-CB 3.43Å; L42-I45 PolarHBondContact O-N 3.11Å; L42-I45 VanDerWaalsContact O-N 3.1Å; I45-K47 PolarHBondContact O-N 3.03Å; I45-E49 HydrophobicContact CG2-CB 4.37Å; I45-E49 WeakPolarHBondContact O-CA 3.2Å; I45-E49 VanDerWaalsContact O-CB 3.29Å; I45-E49 WeakPolarHBondContact O-CB 3.33Å; I45-E49 PolarHBondContact O-N 3Å; I45-G51 PolarHBondContact O-N 2.8Å; I45-L52 HydrophobicContact CD1-CD2 4.25Å; I45-L52 HydrophobicContact CG2-CD2 4.16Å; I45-F55 HydrophobicContact CD1-CD1 3.96Å; I45-F55 HydrophobicContact CD1-CE1 3.86Å; I45-F55 HydrophobicContact CD1-CZ 4.41Å; I45-F55 HydrophobicContact CG1-CD1 4.18Å; I45-F55 HydrophobicContact CG1-CE1 4.15Å; I45-F55 HydrophobicContact CG1-CE2 4.49Å; I45-F55 HydrophobicContact CG1-CG 4.36Å; I45-F55 HydrophobicContact CG1-CZ 4.29Å; I45-F55 HydrophobicContact CG2-CB 3.57Å; I45-F55 HydrophobicContact CG2-CD1 4Å; I45-F55 HydrophobicContact CG2-CD2 4.21Å; I45-F55 HydrophobicContact CG2-CG 3.67Å; I45-L380 HydrophobicContact CD1-CD2 4.35Å
46D94.9Very high95.9Very high72 Ų7248.6 Ų48.639%0.38525%0.247SC..Hα-helixtrans-60.3-45.9179.9-72.3-18.7000111.8L42 E43 G51L42-D46 PolarHBondContact O-N 3.48Å; E43-D46 PolarHBondContact O-N 3.01Å; D46-G51 WeakPolarHBondContact OD1-CA 3.05Å
47K95.2Very high95.9Very high180 Ų18052 Ų5278%0.78326%0.26SS*.Hα-helixtrans-70.9-43-177.4-173.9179.9178.4179.60113.7E43 I45E43-K47 VanDerWaalsContact O-CB 3.22Å; E43-K47 WeakPolarHBondContact O-CB 3.49Å; E43-K47 PolarHBondContact O-N 2.95Å; I45-K47 PolarHBondContact O-N 3.03Å
48N95Very high96Very high106 Ų10651.7 Ų51.757%0.56726%0.259SS*.Hα-helixtrans-101.4-23.5-167.9-60.5-22.8000113.5R44R44-N48 VanDerWaalsContact O-CB 3.31Å; R44-N48 WeakPolarHBondContact O-CB 3.39Å; R44-N48 PolarHBondContact O-N 3.48Å
49E94.4Very high96.1Very high41 Ų4153 Ų5319%0.19226%0.264CS..Hα-helixtrans-116.9-1.9-170.3-59-71.3171.900112.9I45 K54 F55 R321I45-E49 HydrophobicContact CG2-CB 4.37Å; I45-E49 WeakPolarHBondContact O-CA 3.2Å; I45-E49 VanDerWaalsContact O-CB 3.29Å; I45-E49 WeakPolarHBondContact O-CB 3.33Å; I45-E49 PolarHBondContact O-N 3Å; E49-K54 WeakPolarHBondContact O-CD 3.29Å; E49-F55 HydrophobicContact CB-CB 4.26Å; E49-F55 HydrophobicContact CB-CD2 3.7Å; E49-F55 HydrophobicContact CB-CG 4.39Å; E49-F55 HydrophobicContact CG-CD2 3.57Å; E49-F55 HydrophobicContact CG-CE2 3.92Å; E49-R321 IonicContact OE1-CZ 4Å; E49-R321 IonicContact OE1-NH1 3.33Å; E49-R321 IonicContact OE1-NH2 2.72Å; E49-R321 PolarHBondContact OE1-NH2 3.46Å; E49-R321 IonicContact OE2-CZ 3.67Å; E49-R321 IonicContact OE2-NH1 3.39Å; E49-R321 PolarHBondContact OE2-NH1 3.47Å; E49-R321 IonicContact OE2-NH2 3.94Å; E49-R321 PolarHBondContact OE2-NH2 3.15Å; E49-R321 VanDerWaalsContact OE2-NH2 3.11Å
50G92.7Very high96.1Very high58 Ų5854.5 Ų54.560%0.59827%0.273SS*.SBendtrans80.623.8179.600000113.8
51G95.4Very high96.2Very high13 Ų1353.6 Ų53.613%0.13427%0.271CS..  trans95.9164.2176.900000114.9I45 D46 D53 K54 F55I45-G51 PolarHBondContact O-N 2.8Å; D46-G51 WeakPolarHBondContact OD1-CA 3.05Å; G51-D53 PolarHBondContact O-N 3.13Å; G51-K54 PolarHBondContact O-N 2.89Å; G51-F55 WeakPolarHBondContact O-CB 3.45Å; G51-F55 PolarHBondContact O-N 3.24Å
52L95.4Very high96.3Very high8 Ų853.9 Ų53.94%0.04227%0.271CS..Hα-helixtrans-53-38.7179.7-72174.2000113.2L42 I45 K54 F55 T56 Y383 K387L42-L52 HydrophobicContact CD1-CD1 3.51Å; L42-L52 HydrophobicContact CD1-CD2 3.73Å; L42-L52 HydrophobicContact CD1-CG 3.57Å; I45-L52 HydrophobicContact CD1-CD2 4.25Å; I45-L52 HydrophobicContact CG2-CD2 4.16Å; L52-K54 PolarHBondContact O-N 2.91Å; L52-F55 PolarHBondContact O-N 2.87Å; L52-T56 WeakPolarHBondContact O-CB 3.35Å; L52-T56 WeakPolarHBondContact O-CG2 3.43Å; L52-T56 PolarHBondContact O-N 2.97Å; L52-T56 PolarHBondContact O-OG1 2.97Å; L52-Y383 HydrophobicContact CD1-CD1 3.86Å; L52-Y383 HydrophobicContact CD1-CE1 3.81Å; L52-K387 HydrophobicContact CD1-CD 4.35Å
53D95.8Very high96.4Very high69 Ų6953.9 Ų53.937%0.36927%0.271SS..Hα-helixtrans-63.8-39.4-178.3173.858.9000112.5G51 T56 R57 R328G51-D53 PolarHBondContact O-N 3.13Å; D53-T56 PolarHBondContact O-OG1 3Å; D53-R57 WeakPolarHBondContact O-CG 3.37Å; D53-R57 PolarHBondContact O-NE 3.3Å; D53-R57 IonicContact OD1-CZ 3.65Å; D53-R57 IonicContact OD1-NE 3.66Å; D53-R57 IonicContact OD1-NH2 2.85Å; D53-R57 PolarHBondContact OD1-NH2 3.45Å; D53-R57 IonicContact OD2-CZ 3.53Å; D53-R57 IonicContact OD2-NE 2.86Å; D53-R57 IonicContact OD2-NH2 3.31Å; D53-R57 PolarHBondContact OD2-NH2 2.84Å; D53-R328 PolarHBondContact O-NH1 3.49Å; D53-R328 IonicContact OD1-CZ 3.87Å; D53-R328 VanDerWaalsContact OD1-CZ 3.3Å; D53-R328 IonicContact OD1-NH1 2.76Å; D53-R328 PolarHBondContact OD1-NH1 2.76Å; D53-R328 IonicContact OD1-NH2 3.85Å; D53-R328 PolarHBondContact OD1-NH2 2.81Å
54K97Very high96.5Very high140 Ų14050.6 Ų50.661%0.60926%0.256SS*.Hα-helixtrans-78.8-38.5174.9-172.6173.5174.3-169.30111.6E49 G51 L52 T56 R57E49-K54 WeakPolarHBondContact O-CD 3.29Å; G51-K54 PolarHBondContact O-N 2.89Å; L52-K54 PolarHBondContact O-N 2.91Å; K54-T56 VanDerWaalsContact C-N 3.32Å; K54-T56 PolarHBondContact O-N 3.32Å; K54-R57 PolarHBondContact O-N 2.99Å; K54-R57 VanDerWaalsContact O-N 3.16Å
55F98.1Very high96.6Very high1 Ų149.3 Ų49.30%0.00426%0.255CS..Hα-helixtrans-63.2-37.1-177.7-172.6-108.4000113.3I45 E49 G51 L52 R57 T317 L320 R321 L324 S325I45-F55 HydrophobicContact CD1-CD1 3.96Å; I45-F55 HydrophobicContact CD1-CE1 3.86Å; I45-F55 HydrophobicContact CD1-CZ 4.41Å; I45-F55 HydrophobicContact CG1-CD1 4.18Å; I45-F55 HydrophobicContact CG1-CE1 4.15Å; I45-F55 HydrophobicContact CG1-CE2 4.49Å; I45-F55 HydrophobicContact CG1-CG 4.36Å; I45-F55 HydrophobicContact CG1-CZ 4.29Å; I45-F55 HydrophobicContact CG2-CB 3.57Å; I45-F55 HydrophobicContact CG2-CD1 4Å; I45-F55 HydrophobicContact CG2-CD2 4.21Å; I45-F55 HydrophobicContact CG2-CG 3.67Å; E49-F55 HydrophobicContact CB-CB 4.26Å; E49-F55 HydrophobicContact CB-CD2 3.7Å; E49-F55 HydrophobicContact CB-CG 4.39Å; E49-F55 HydrophobicContact CG-CD2 3.57Å; E49-F55 HydrophobicContact CG-CE2 3.92Å; G51-F55 WeakPolarHBondContact O-CB 3.45Å; G51-F55 PolarHBondContact O-N 3.24Å; L52-F55 PolarHBondContact O-N 2.87Å; F55-R57 PolarHBondContact O-N 2.93Å; F55-T317 HydrophobicContact CE2-CG2 4.06Å; F55-T317 HydrophobicContact CZ-CG2 4.24Å; F55-L320 HydrophobicContact CE1-CB 4.1Å; F55-L320 HydrophobicContact CZ-CB 4.06Å; F55-R321 HydrophobicContact CD2-CG 4.33Å; F55-R321 VanDerWaalsContact CD2-NH1 3.33Å; F55-R321 HydrophobicContact CE1-CB 4.24Å; F55-R321 HydrophobicContact CE2-CB 3.77Å; F55-R321 HydrophobicContact CE2-CG 4.06Å; F55-R321 VanDerWaalsContact CZ-CA 3.49Å; F55-R321 HydrophobicContact CZ-CB 3.63Å; F55-R321 HydrophobicContact CZ-CG 4.29Å; F55-L324 HydrophobicContact CD1-CD1 4.06Å; F55-L324 HydrophobicContact CE1-CD1 3.8Å; F55-S325 PolarHBondContact O-OG 2.9Å
56T98.4Very high96.7Very high0 Ų051.1 Ų51.10%027%0.266CS..THydrogen-bonded Turntrans-78.5-1.6178.153.80000113.7L52 D53 K54 L324 S325 R328 M385 I388L52-T56 WeakPolarHBondContact O-CB 3.35Å; L52-T56 WeakPolarHBondContact O-CG2 3.43Å; L52-T56 PolarHBondContact O-N 2.97Å; L52-T56 PolarHBondContact O-OG1 2.97Å; D53-T56 PolarHBondContact O-OG1 3Å; K54-T56 VanDerWaalsContact C-N 3.32Å; K54-T56 PolarHBondContact O-N 3.32Å; T56-L324 HydrophobicContact CG2-CB 4.06Å; T56-S325 VanDerWaalsContact O-CA 3.23Å; T56-S325 WeakPolarHBondContact O-CA 3.39Å; T56-S325 WeakPolarHBondContact O-CB 3.4Å; T56-S325 PolarHBondContact O-OG 2.84Å; T56-R328 WeakPolarHBondContact O-CB 3.47Å; T56-R328 WeakPolarHBondContact O-CD 3.47Å; T56-R328 VanDerWaalsContact OG1-CD 3.31Å; T56-R328 WeakPolarHBondContact OG1-CD 3.35Å; T56-R328 PolarHBondContact OG1-NH1 2.81Å; T56-M385 HydrophobicContact CG2-CE 3.77Å; T56-I388 HydrophobicContact CG2-CD1 4.44Å
57R98.4Very high96.8Very high73 Ų7349 Ų4928%0.27526%0.256SS..THydrogen-bonded Turntrans-104.733.6176.6-69.6-169.4-87.2160-9.6112.2D53 K54 F55 Y59 E60 R328D53-R57 WeakPolarHBondContact O-CG 3.37Å; D53-R57 PolarHBondContact O-NE 3.3Å; D53-R57 IonicContact OD1-CZ 3.65Å; D53-R57 IonicContact OD1-NE 3.66Å; D53-R57 IonicContact OD1-NH2 2.85Å; D53-R57 PolarHBondContact OD1-NH2 3.45Å; D53-R57 IonicContact OD2-CZ 3.53Å; D53-R57 IonicContact OD2-NE 2.86Å; D53-R57 IonicContact OD2-NH2 3.31Å; D53-R57 PolarHBondContact OD2-NH2 2.84Å; K54-R57 PolarHBondContact O-N 2.99Å; K54-R57 VanDerWaalsContact O-N 3.16Å; F55-R57 PolarHBondContact O-N 2.93Å; R57-Y59 HydrophobicContact CG-CE1 4.41Å; R57-Y59 PolarHBondContact O-N 3.12Å; R57-E60 HydrophobicContact CB-CG 4.14Å; R57-E60 WeakPolarHBondContact CD-OE1 3.27Å; R57-E60 IonicContact NH1-OE1 3.85Å; R57-E60 IonicContact NH1-OE2 2.76Å; R57-E60 WeakPolarHBondContact O-CB 3.21Å; R57-E60 PolarHBondContact O-N 2.84Å; R57-R328 VanDerWaalsContact CD-CZ 3.47Å; R57-R328 VanDerWaalsContact CG-CZ 3.48Å
58G98.2Very high96.8Very high3 Ų347.3 Ų47.33%0.03126%0.263CS..G310 helixtrans-55.3-35.4177.300000112.7E60 T61 F62 S325G58-E60 PolarHBondContact O-N 2.75Å; G58-E60 VanDerWaalsContact O-N 3.17Å; G58-T61 PolarHBondContact O-N 3.1Å; G58-T61 PolarHBondContact O-OG1 2.94Å; G58-F62 PolarHBondContact O-N 3.15Å; G58-S325 WeakPolarHBondContact CA-OG 3.42Å; G58-S325 PolarHBondContact N-OG 2.93Å
59Y98.2Very high96.7Very high29 Ų2945.1 Ų45.111%0.11426%0.26CS..G310 helixtrans-64.6-15178.163-99.4000114.3R57 T61 I65 S325 R328 W329R57-Y59 HydrophobicContact CG-CE1 4.41Å; R57-Y59 PolarHBondContact O-N 3.12Å; Y59-T61 VanDerWaalsContact C-N 3.25Å; Y59-I65 VanDerWaalsContact O-CD1 3.23Å; Y59-I65 WeakPolarHBondContact O-CD1 3.41Å; Y59-S325 WeakPolarHBondContact CD1-O 3.47Å; Y59-R328 HydrophobicContact CE1-CB 4.12Å; Y59-R328 HydrophobicContact CE1-CG 4.01Å; Y59-W329 HydrophobicContact CD1-CB 3.88Å; Y59-W329 HydrophobicContact CD1-CE3 4.26Å; Y59-W329 AromaticContact CD2-CE3 3.49Å; Y59-W329 HydrophobicContact CD2-CE3 3.49Å; Y59-W329 VanDerWaalsContact CD2-CE3 3.49Å; Y59-W329 AromaticContact CD2-CZ3 3.88Å; Y59-W329 HydrophobicContact CD2-CZ3 3.88Å; Y59-W329 HydrophobicContact CE1-CB 4.24Å; Y59-W329 HydrophobicContact CE2-CE3 4.02Å; Y59-W329 HydrophobicContact CE2-CZ3 4.45Å; Y59-W329 HydrophobicContact CG-CB 4.34Å; Y59-W329 HydrophobicContact CG-CD2 4.47Å; Y59-W329 AromaticContact CG-CE3 3.64Å; Y59-W329 HydrophobicContact CG-CE3 3.64Å; Y59-W329 HydrophobicContact CG-CZ3 4.36Å
60E97.8Very high96.8Very high95 Ų9546.6 Ų46.644%0.44427%0.269SS..G310 helixtrans-79.6-11.7172.4-61.5-178.1165.800112.1R57 G58R57-E60 HydrophobicContact CB-CG 4.14Å; R57-E60 WeakPolarHBondContact CD-OE1 3.27Å; R57-E60 IonicContact NH1-OE1 3.85Å; R57-E60 IonicContact NH1-OE2 2.76Å; R57-E60 WeakPolarHBondContact O-CB 3.21Å; R57-E60 PolarHBondContact O-N 2.84Å; G58-E60 PolarHBondContact O-N 2.75Å; G58-E60 VanDerWaalsContact O-N 3.17Å
61T96.8Very high97.1Very high56 Ų5643.9 Ų43.934%0.34424%0.241SC..THydrogen-bonded Turntrans-126.4-35-173.5600000114.2G58 Y59 R75G58-T61 PolarHBondContact O-N 3.1Å; G58-T61 PolarHBondContact O-OG1 2.94Å; Y59-T61 VanDerWaalsContact C-N 3.25Å; T61-R75 WeakPolarHBondContact O-CB 3.34Å; T61-R75 VanDerWaalsContact O-CD 3.25Å; T61-R75 WeakPolarHBondContact O-CD 3.49Å; T61-R75 WeakPolarHBondContact O-CG 3.48Å; T61-R75 PolarHBondContact O-NH1 3.3Å
62F98.2Very high97.2Very high10 Ų1043.2 Ų43.24%0.04423%0.234CC..SBendtrans-93.9156.2177.4-76.6-87.9000111.9G58 R75 W77 R107 W145G58-F62 PolarHBondContact O-N 3.15Å; F62-R75 HydrophobicContact CD1-CB 4.26Å; F62-W77 HydrophobicContact CE1-CB 4.08Å; F62-R107 HydrophobicContact CZ-CG 4.42Å; F62-W145 HydrophobicContact CB-CD2 3.49Å; F62-W145 VanDerWaalsContact CB-CD2 3.49Å; F62-W145 HydrophobicContact CB-CE3 4.04Å; F62-W145 HydrophobicContact CB-CG 3.76Å; F62-W145 HydrophobicContact CB-CH2 4.27Å; F62-W145 HydrophobicContact CB-CZ2 3.76Å; F62-W145 HydrophobicContact CB-CZ3 4.4Å; F62-W145 HydrophobicContact CD1-CZ2 4.41Å; F62-W145 AromaticContact CD1-NE1 3.83Å; F62-W145 HydrophobicContact CD2-CH2 4.44Å; F62-W145 HydrophobicContact CD2-CZ2 4.04Å; F62-W145 HydrophobicContact CG-CD2 4.42Å; F62-W145 AromaticContact CG-CE2 3.77Å; F62-W145 AromaticContact CG-CZ2 3.83Å; F62-W145 HydrophobicContact CG-CZ2 3.83Å; F62-W145 AromaticContact CG-NE1 3.85Å
63G97.9Very high97.4Very high1 Ų143.9 Ų43.91%0.0124%0.238CC..EExtended strand (participates in β ladder)trans82.5-146.1-169.300000111.2C74 R75G63-C74 CarbonylContact O-C 3.56Å; G63-C74 WeakPolarHBondContact O-CA 3.33Å; G63-R75 PolarHBondContact N-O 3.19Å; G63-R75 PolarHBondContact O-N 3.21Å
64M97.5Very high97.5Very high25 Ų2540.6 Ų40.612%0.12322%0.221CC..EExtended strand (participates in β ladder)trans-117103.9-174.5-58.4173.7-172.200109.8V72 C74 L86 L128 V130 Q160 F162M64-V72 HydrophobicContact CB-CG1 4.26Å; M64-C74 HydrophobicContact CG-CB 4.48Å; M64-L86 HydrophobicContact CE-CD1 3.41Å; M64-L86 VanDerWaalsContact CE-CD1 3.41Å; M64-L86 HydrophobicContact SD-CD1 4.4Å; M64-L128 HydrophobicContact CE-CB 4.43Å; M64-L128 HydrophobicContact CE-CD1 4.03Å; M64-L128 HydrophobicContact SD-CD1 3.3Å; M64-L128 WeakPolarHBondContact SD-CD1 3.21Å; M64-V130 HydrophobicContact CE-CG2 4.21Å; M64-Q160 VanDerWaalsContact CE-NE2 3.31Å; M64-Q160 PolarHBondContact SD-NE2 2.86Å; M64-Q160 VanDerWaalsContact SD-NE2 3.36Å; M64-F162 HydrophobicContact CB-CE2 4.05Å; M64-F162 HydrophobicContact SD-CD2 4.41Å
65I97.6Very high97.6Very high52 Ų5237.5 Ų37.527%0.26721%0.205SC..EExtended strand (participates in β ladder)trans-109.2122.6-170.4-50.8-57.7000110.1Y59 V72 V73Y59-I65 VanDerWaalsContact O-CD1 3.23Å; Y59-I65 WeakPolarHBondContact O-CD1 3.41Å; I65-V72 CarbonylContact O-C 3.22Å; I65-V72 WeakPolarHBondContact O-CA 3.49Å; I65-V73 PolarHBondContact N-O 3.09Å; I65-V73 PolarHBondContact O-N 2.92Å
66V97.2Very high97.6Very high41 Ų4137.5 Ų37.525%0.24821%0.205CC..EExtended strand (participates in β ladder)trans-75.1124172.1-1770000109G71 V72 F162 N164V66-G71 CarbonylContact C-O 3.53Å; V66-G71 WeakPolarHBondContact CA-O 3.27Å; V66-V72 HydrophobicContact CG2-CG2 4.44Å; V66-F162 HydrophobicContact CG2-CE1 4.28Å; V66-F162 HydrophobicContact CG2-CZ 3.62Å; V66-N164 HydrophobicContact CG2-CB 4.41Å
67T96.9Very high97.6Very high29 Ų2938.1 Ų38.118%0.17821%0.208CC..  trans-78.9161.7178.373.20000111A69 N70 G71 V73 Y111T67-A69 PolarHBondContact O-N 3.12Å; T67-A69 PolarHBondContact OG1-N 3.47Å; T67-N70 PolarHBondContact O-N 3.36Å; T67-G71 PolarHBondContact N-O 2.85Å; T67-G71 PolarHBondContact OG1-N 2.86Å; T67-G71 VanDerWaalsContact OG1-N 3.09Å; T67-G71 PolarHBondContact OG1-O 2.74Å; T67-V73 HydrophobicContact CG2-CG2 3.63Å; T67-Y111 HydrophobicContact CG2-CE2 4.21Å
68P94.9Very high97.6Very high143 Ų14334.7 Ų34.793%0.92920%0.195SC*.THydrogen-bonded Turntrans-57.2-20.2172.9-26.835.8000114.5
69A95Very high97.6Very high61 Ų6136.6 Ų36.650%0.50421%0.206SC..THydrogen-bonded Turntrans-94.315.5175.800000113.1T67 G71 P114T67-A69 PolarHBondContact O-N 3.12Å; T67-A69 PolarHBondContact OG1-N 3.47Å; A69-G71 PolarHBondContact O-N 3.2Å; A69-G71 VanDerWaalsContact O-N 3.15Å; A69-P114 WeakPolarHBondContact O-CB 3.39Å; A69-P114 WeakPolarHBondContact O-CG 3.44Å
70N96.1Very high97.5Very high72 Ų7236 Ų3639%0.38521%0.21SC..SBendtrans60.514.1-176.8-64.4-35.5000115.7T67 P114 G118 C120 P121T67-N70 PolarHBondContact O-N 3.36Å; N70-P114 HydrophobicContact CB-CB 4.33Å; N70-G118 WeakPolarHBondContact CB-O 3.23Å; N70-G118 PolarHBondContact ND2-O 3.01Å; N70-C120 WeakPolarHBondContact O-CA 3.43Å; N70-P121 WeakPolarHBondContact O-CD 3.13Å
71G98Very high97.5Very high0 Ų031.5 Ų31.50%019%0.189CC..  trans-74.1169.7163.800000110.9V66 T67 A69 I112V66-G71 CarbonylContact C-O 3.53Å; V66-G71 WeakPolarHBondContact CA-O 3.27Å; T67-G71 PolarHBondContact N-O 2.85Å; T67-G71 PolarHBondContact OG1-N 2.86Å; T67-G71 VanDerWaalsContact OG1-N 3.09Å; T67-G71 PolarHBondContact OG1-O 2.74Å; A69-G71 PolarHBondContact O-N 3.2Å; A69-G71 VanDerWaalsContact O-N 3.15Å; G71-I112 CarbonylContact C-O 3.58Å; G71-I112 VanDerWaalsContact CA-O 3.26Å; G71-I112 WeakPolarHBondContact CA-O 3.15Å
72V98.5Very high97.6Very high0 Ų032.8 Ų32.80%019%0.194CC..EExtended strand (participates in β ladder)trans-121119.9174-175.50000109.5M64 I65 V66 I112 P121 I122 F162M64-V72 HydrophobicContact CB-CG1 4.26Å; I65-V72 CarbonylContact O-C 3.22Å; I65-V72 WeakPolarHBondContact O-CA 3.49Å; V66-V72 HydrophobicContact CG2-CG2 4.44Å; V72-I112 HydrophobicContact CB-CB 4.48Å; V72-I112 PolarHBondContact N-O 3.15Å; V72-I112 PolarHBondContact O-N 3.15Å; V72-P121 HydrophobicContact CB-CG 4.43Å; V72-P121 HydrophobicContact CG2-CG 3.83Å; V72-I122 HydrophobicContact CB-CD1 4.5Å; V72-I122 HydrophobicContact CG1-CD1 4.29Å; V72-I122 HydrophobicContact CG2-CD1 4.34Å; V72-I122 HydrophobicContact CG2-CG1 4.38Å; V72-F162 HydrophobicContact CG1-CE2 4.49Å; V72-F162 HydrophobicContact CG2-CZ 4.15Å
73V98.4Very high97.5Very high21 Ų2132.8 Ų32.813%0.12720%0.196CC..EExtended strand (participates in β ladder)trans-95.7121.5169.41760000107.8I65 T67 R75 Y111I65-V73 PolarHBondContact N-O 3.09Å; I65-V73 PolarHBondContact O-N 2.92Å; T67-V73 HydrophobicContact CG2-CG2 3.63Å; V73-R75 HydrophobicContact CG1-CG 4.14Å; V73-Y111 HydrophobicContact CG2-CD2 3.63Å; V73-Y111 HydrophobicContact CG2-CE2 4.2Å
74C98.5Very high97.6Very high0 Ų032.8 Ų32.80%020%0.196CC..EExtended strand (participates in β ladder)trans-107.3128.4175.1-50.70000109.2G63 M64 Y100 E109 L110G63-C74 CarbonylContact O-C 3.56Å; G63-C74 WeakPolarHBondContact O-CA 3.33Å; M64-C74 HydrophobicContact CG-CB 4.48Å; C74-Y100 HydrophobicContact CB-CE1 3.5Å; C74-Y100 VanDerWaalsContact CB-OH 3.26Å; C74-Y100 WeakPolarHBondContact CB-OH 3.33Å; C74-E109 CarbonylContact O-C 3.55Å; C74-E109 VanDerWaalsContact O-CA 3.31Å; C74-E109 WeakPolarHBondContact O-CA 3.36Å; C74-L110 HydrophobicContact CB-CB 4.22Å; C74-L110 PolarHBondContact N-O 2.8Å; C74-L110 PolarHBondContact O-N 2.9Å
75R98.6Very high97.6Very high76 Ų7633.8 Ų33.829%0.28720%0.2SC..EExtended strand (participates in β ladder)trans-133.6136.1172.8-62.6-173.3-174.9102.71.4112.1T61 F62 G63 V73 W108 E109T61-R75 WeakPolarHBondContact O-CB 3.34Å; T61-R75 VanDerWaalsContact O-CD 3.25Å; T61-R75 WeakPolarHBondContact O-CD 3.49Å; T61-R75 WeakPolarHBondContact O-CG 3.48Å; T61-R75 PolarHBondContact O-NH1 3.3Å; F62-R75 HydrophobicContact CD1-CB 4.26Å; G63-R75 PolarHBondContact N-O 3.19Å; G63-R75 PolarHBondContact O-N 3.21Å; V73-R75 HydrophobicContact CG1-CG 4.14Å; R75-W108 VanDerWaalsContact CA-O 3.25Å; R75-W108 WeakPolarHBondContact CA-O 3.14Å; R75-E109 HydrophobicContact CG-CB 4.25Å; R75-E109 HydrophobicContact CG-CG 3.99Å; R75-E109 IonicContact CZ-OE2 3.66Å; R75-E109 VanDerWaalsContact CZ-OE2 3.25Å; R75-E109 IonicContact NE-OE2 3.49Å; R75-E109 PolarHBondContact NE-OE2 2.9Å; R75-E109 IonicContact NH2-OE2 2.89Å; R75-E109 PolarHBondContact NH2-OE2 2.83Å
76E98.6Very high97.6Very high0 Ų031.3 Ų31.30%019%0.187CC..EExtended strand (participates in β ladder)trans-135.1153.7179.8-61.9-61172.800111.2L84 Y100 R107 W108 S143 W288E76-L84 HydrophobicContact CB-CD1 3.93Å; E76-L84 HydrophobicContact CG-CD1 4.48Å; E76-Y100 HydrophobicContact CG-CE1 4.08Å; E76-R107 CarbonylContact O-C 3.53Å; E76-R107 WeakPolarHBondContact O-CA 3.27Å; E76-W108 PolarHBondContact N-O 3.18Å; E76-W108 PolarHBondContact O-N 2.88Å; E76-S143 WeakPolarHBondContact OE1-CB 3.48Å; E76-S143 PolarHBondContact OE1-OG 3.35Å; E76-S143 PolarHBondContact OE2-OG 3.49Å; E76-W288 HydrophobicContact CB-CZ2 4.16Å; E76-W288 HydrophobicContact CG-CZ2 4.02Å
77W98.6Very high97.7Very high14 Ų1430.5 Ų30.55%0.05318%0.179CC..EExtended strand (participates in β ladder)trans-107.7115.6167.4179.462.7000108.9F62 P79 F105 W288 C294 Y295 E316 E318 V319F62-W77 HydrophobicContact CE1-CB 4.08Å; W77-P79 HydrophobicContact CZ2-CG 3.83Å; W77-F105 PolarHBondContact NE1-O 3.44Å; W77-W288 PolarHBondContact O-NE1 2.71Å; W77-C294 VanDerWaalsContact CH2-O 3.3Å; W77-C294 WeakPolarHBondContact CH2-O 3.35Å; W77-C294 VanDerWaalsContact CZ3-SG 3.56Å; W77-Y295 HydrophobicContact CE3-CE1 4Å; W77-Y295 HydrophobicContact CE3-CE2 4.06Å; W77-Y295 AromaticContact CE3-CZ 3.76Å; W77-Y295 HydrophobicContact CZ3-CD1 4.12Å; W77-Y295 HydrophobicContact CZ3-CD2 4.34Å; W77-Y295 HydrophobicContact CZ3-CE1 4.06Å; W77-Y295 HydrophobicContact CZ3-CE2 4.28Å; W77-Y295 HydrophobicContact CZ3-CG 4.26Å; W77-E316 HydrophobicContact CH2-CG 3.6Å; W77-E316 HydrophobicContact CZ2-CG 3.91Å; W77-E318 HydrophobicContact CD2-CB 3.42Å; W77-E318 VanDerWaalsContact CD2-CB 3.42Å; W77-E318 HydrophobicContact CD2-CG 3.71Å; W77-E318 HydrophobicContact CE3-CB 3.56Å; W77-E318 HydrophobicContact CE3-CG 4.36Å; W77-E318 HydrophobicContact CG-CB 3.96Å; W77-E318 HydrophobicContact CG-CG 3.82Å; W77-E318 HydrophobicContact CH2-CB 4.01Å; W77-E318 HydrophobicContact CZ2-CB 3.88Å; W77-E318 HydrophobicContact CZ2-CG 4.17Å; W77-E318 HydrophobicContact CZ3-CB 3.85Å; W77-V319 HydrophobicContact CZ3-CG2 4.33Å
78A98.3Very high97.7Very high0 Ų029.1 Ų29.10%017%0.171CC..  trans-151.470.4-176.900000109G80 A81 L84 G106 W108 D289A78-G80 VanDerWaalsContact C-N 3.28Å; A78-G80 PolarHBondContact O-N 3.07Å; A78-A81 HydrophobicContact CB-CB 3.98Å; A78-A81 PolarHBondContact O-N 2.94Å; A78-L84 HydrophobicContact CB-CD1 3.96Å; A78-L84 HydrophobicContact CB-CD2 4.27Å; A78-L84 HydrophobicContact CB-CG 4.47Å; A78-G106 CarbonylContact C-O 3.39Å; A78-G106 PolarHBondContact N-O 3.11Å; A78-W108 PolarHBondContact O-NE1 2.72Å; A78-D289 HydrophobicContact CB-CB 3.7Å
79P97.8Very high97.8Very high43 Ų4326.1 Ų26.128%0.27915%0.147SC..THydrogen-bonded Turntrans-65.7-30.4-169.726.7-35.1000113.3W77 R102 D289W77-P79 HydrophobicContact CZ2-CG 3.83Å; P79-R102 PolarHBondContact O-NH2 3.41Å; P79-D289 WeakPolarHBondContact CD-OD2 3.29Å
80G97Very high97.9Very high18 Ų1825.2 Ų25.219%0.18613%0.132CC..THydrogen-bonded Turntrans-80.6-18.1179.400000114.8A78 K134 D289A78-G80 VanDerWaalsContact C-N 3.28Å; A78-G80 PolarHBondContact O-N 3.07Å; G80-K134 VanDerWaalsContact O-CD 3.24Å; G80-K134 WeakPolarHBondContact O-CD 3.35Å; G80-K134 VanDerWaalsContact O-CE 3.25Å; G80-K134 WeakPolarHBondContact O-CE 3.45Å; G80-K134 PolarHBondContact O-NZ 2.81Å; G80-D289 VanDerWaalsContact CA-OD2 3.28Å; G80-D289 WeakPolarHBondContact CA-OD2 3.34Å; G80-D289 PolarHBondContact N-OD2 2.92Å
81A98Very high98Very high0 Ų023 Ų230%012%0.12CC..  trans-69.5146.4-177.500000112.2A78 L84 W108 V132 D289A78-A81 HydrophobicContact CB-CB 3.98Å; A78-A81 PolarHBondContact O-N 2.94Å; A81-L84 HydrophobicContact CB-CD2 3.98Å; A81-W108 HydrophobicContact CB-CZ2 4.42Å; A81-W108 WeakPolarHBondContact O-CZ2 3.48Å; A81-V132 HydrophobicContact CB-CG1 3.84Å; A81-D289 HydrophobicContact CB-CB 4.34Å
82D97.7Very high98Very high83 Ų8326 Ų2644%0.44415%0.151SC..SBendtrans-87.5-21.7174.6-57.4-33.5000111.7T133 K134 D135D82-T133 WeakPolarHBondContact CB-O 3.25Å; D82-T133 PolarHBondContact N-O 3.2Å; D82-K134 IonicContact OD1-NZ 3.51Å; D82-K134 WeakPolarHBondContact OD2-CA 3.12Å; D82-D135 PolarHBondContact OD2-N 2.83Å
83G97.6Very high97.9Very high9 Ų930 Ų309%0.09317%0.166CC..EExtended strand (participates in β ladder)trans-172.3144.3-176.800000111.6T133G83-T133 VanDerWaalsContact CA-OG1 3.23Å; G83-T133 WeakPolarHBondContact CA-OG1 3.39Å; G83-T133 PolarHBondContact N-OG1 3.48Å; G83-T133 PolarHBondContact O-N 2.93Å; G83-T133 PolarHBondContact O-OG1 2.81Å
84L98.4Very high97.8Very high2 Ų230.8 Ų30.81%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-124.2142.4173.5-62.3-170.7000110.7E76 A78 A81 Y100 W108 V130 L131 V132E76-L84 HydrophobicContact CB-CD1 3.93Å; E76-L84 HydrophobicContact CG-CD1 4.48Å; A78-L84 HydrophobicContact CB-CD1 3.96Å; A78-L84 HydrophobicContact CB-CD2 4.27Å; A78-L84 HydrophobicContact CB-CG 4.47Å; A81-L84 HydrophobicContact CB-CD2 3.98Å; L84-Y100 HydrophobicContact CB-CD2 3.92Å; L84-Y100 HydrophobicContact CB-CG 4.02Å; L84-Y100 PolarHBondContact O-N 3.45Å; L84-W108 HydrophobicContact CB-CD2 4.3Å; L84-W108 HydrophobicContact CB-CE3 4.19Å; L84-W108 HydrophobicContact CD1-CB 3.61Å; L84-W108 HydrophobicContact CD1-CD2 3.94Å; L84-W108 HydrophobicContact CD1-CG 3.45Å; L84-W108 VanDerWaalsContact CD1-CG 3.45Å; L84-W108 HydrophobicContact CG-CB 4.42Å; L84-W108 HydrophobicContact CG-CD2 3.84Å; L84-W108 HydrophobicContact CG-CE3 4.2Å; L84-W108 HydrophobicContact CG-CG 3.93Å; L84-V130 HydrophobicContact CB-CG1 4.46Å; L84-V130 HydrophobicContact CD1-CG1 4.48Å; L84-V130 HydrophobicContact CD2-CG1 4.21Å; L84-L131 CarbonylContact C-O 3.52Å; L84-L131 WeakPolarHBondContact CA-O 3.3Å; L84-V132 HydrophobicContact CD2-CB 4.04Å; L84-V132 HydrophobicContact CD2-CG1 3.94Å; L84-V132 HydrophobicContact CD2-CG2 3.68Å
85F98.4Very high97.7Very high46 Ų4637.5 Ų37.520%0.20220%0.198CC..EExtended strand (participates in β ladder)trans-138.5141175.3-55.8-104.1000110.5R95 H98 P99 L131 T133F85-R95 WeakPolarHBondContact CB-O 3.32Å; F85-R95 VanDerWaalsContact CD1-O 3.28Å; F85-R95 WeakPolarHBondContact CD1-O 3.21Å; F85-R95 VanDerWaalsContact CG-O 3.31Å; F85-R95 WeakPolarHBondContact CG-O 3.2Å; F85-H98 WeakPolarHBondContact CA-O 3.44Å; F85-P99 HydrophobicContact CD1-CB 3.69Å; F85-P99 HydrophobicContact CE1-CB 3.61Å; F85-P99 HydrophobicContact CZ-CB 4.47Å; F85-L131 HydrophobicContact CB-CB 4.23Å; F85-L131 HydrophobicContact CD2-CD2 3.76Å; F85-L131 HydrophobicContact CE2-CD2 4.47Å; F85-L131 HydrophobicContact CG-CD2 4.47Å; F85-L131 PolarHBondContact N-O 3.2Å; F85-L131 PolarHBondContact O-N 3.1Å; F85-T133 HydrophobicContact CD2-CG2 4.44Å; F85-T133 HydrophobicContact CE2-CG2 4.06Å
86L98.4Very high97.5Very high0 Ų038.9 Ų38.90%022%0.215CC..EExtended strand (participates in β ladder)trans-89.1134.5171.1-169.663.6000110.2M64 F90 N91 H98 Y100 L110 I112 I122 V130M64-L86 HydrophobicContact CE-CD1 3.41Å; M64-L86 VanDerWaalsContact CE-CD1 3.41Å; M64-L86 HydrophobicContact SD-CD1 4.4Å; L86-F90 HydrophobicContact CD2-CE1 4.02Å; L86-F90 HydrophobicContact CD2-CZ 3.81Å; L86-F90 HydrophobicContact CG-CE1 3.97Å; L86-F90 HydrophobicContact CG-CZ 3.98Å; L86-N91 PolarHBondContact O-ND2 2.83Å; L86-N91 VanDerWaalsContact O-ND2 3.07Å; L86-H98 HydrophobicContact CB-CB 4.19Å; L86-H98 PolarHBondContact N-O 3.08Å; L86-Y100 HydrophobicContact CB-CE2 3.81Å; L86-L110 HydrophobicContact CB-CD2 3.62Å; L86-L110 HydrophobicContact CD2-CD2 4.18Å; L86-I112 HydrophobicContact CD2-CD1 3.69Å; L86-I122 HydrophobicContact CD2-CD1 3.97Å; L86-V130 HydrophobicContact CD1-CG2 4.35Å
87R97.8Very high97.4Very high24 Ų2441.5 Ų41.59%0.09123%0.234CC..EExtended strand (participates in β ladder)trans-145157.8173.467.2-171.6-65.3-130.8-6.9112.4W93 S94 L128 K129 D140R87-W93 HydrophobicContact CG-CE3 4.35Å; R87-W93 PolarHBondContact NE-O 3.06Å; R87-W93 VanDerWaalsContact NE-O 3.08Å; R87-W93 PolarHBondContact NH2-O 3.29Å; R87-S94 VanDerWaalsContact CB-O 3.26Å; R87-S94 WeakPolarHBondContact CB-O 3.45Å; R87-L128 CarbonylContact O-C 3.57Å; R87-L128 WeakPolarHBondContact O-CA 3.4Å; R87-K129 HydrophobicContact CG-CB 4.28Å; R87-K129 PolarHBondContact N-O 3.46Å; R87-K129 PolarHBondContact O-N 2.6Å; R87-K129 VanDerWaalsContact O-O 3.07Å; R87-D140 WeakPolarHBondContact CD-OD1 3.24Å; R87-D140 IonicContact CZ-OD1 2.76Å; R87-D140 IonicContact NH1-OD1 3.61Å; R87-D140 PolarHBondContact NH1-OD1 3.17Å; R87-D140 IonicContact NH1-OD2 3.22Å; R87-D140 PolarHBondContact NH1-OD2 3.2Å
88G97.6Very high97.4Very high0 Ų042.9 Ų42.90%024%0.24CC..EExtended strand (participates in β ladder)trans165.4-163.2178.200000111.7F90 N91 G92 W93 V127G88-F90 PolarHBondContact O-N 2.71Å; G88-N91 PolarHBondContact N-OD1 3.38Å; G88-N91 VanDerWaalsContact N-OD1 3.1Å; G88-N91 PolarHBondContact O-N 3.17Å; G88-N91 PolarHBondContact O-OD1 3.42Å; G88-G92 PolarHBondContact O-N 3.02Å; G88-W93 PolarHBondContact O-N 3.22Å; G88-V127 CarbonylContact C-O 3.57Å; G88-V127 WeakPolarHBondContact CA-O 3.46Å
89D97.5Very high97.4Very high79 Ų7945.8 Ų45.842%0.42226%0.26SS..G310 helixtrans-57.5-39.1-177.4-62.1-29.4000112N91 G92 W93 V127D89-N91 PolarHBondContact O-N 2.75Å; D89-N91 VanDerWaalsContact O-N 3.12Å; D89-G92 PolarHBondContact O-N 3.04Å; D89-W93 PolarHBondContact OD1-NE1 3.36Å; D89-V127 PolarHBondContact N-O 2.94Å; D89-V127 WeakPolarHBondContact OD2-CB 3.41Å; D89-V127 PolarHBondContact OD2-N 2.92Å
90F97.3Very high97.4Very high43 Ų4344.2 Ų44.219%0.18925%0.248CC..G310 helixtrans-61.2-23.6-17683.2-77.5000114.7L86 G88 H98 I112 I122 L128L86-F90 HydrophobicContact CD2-CE1 4.02Å; L86-F90 HydrophobicContact CD2-CZ 3.81Å; L86-F90 HydrophobicContact CG-CE1 3.97Å; L86-F90 HydrophobicContact CG-CZ 3.98Å; G88-F90 PolarHBondContact O-N 2.71Å; F90-H98 AromaticContact CE2-CD2 3.9Å; F90-H98 AromaticContact CE2-CE1 3.67Å; F90-H98 AromaticContact CE2-NE2 3.54Å; F90-I112 HydrophobicContact CE2-CD1 3.89Å; F90-I112 HydrophobicContact CZ-CD1 4.05Å; F90-I122 HydrophobicContact CB-CG1 4.34Å; F90-I122 HydrophobicContact CB-CG2 4.3Å; F90-I122 HydrophobicContact CD1-CG1 4.32Å; F90-I122 HydrophobicContact CD2-CG1 3.95Å; F90-I122 HydrophobicContact CE2-CG1 4.34Å; F90-I122 HydrophobicContact CG-CG1 3.93Å; F90-I122 HydrophobicContact CG-CG2 4.5Å; F90-L128 HydrophobicContact CD1-CD2 3.49Å; F90-L128 VanDerWaalsContact CD1-CD2 3.49Å; F90-L128 HydrophobicContact CE1-CD2 3.76Å
91N96.7Very high97.5Very high24 Ų2448.1 Ų48.113%0.12827%0.265CS..G310 helixtrans-122.420.3-178.2752.1000113.4L86 G88 D89 W93 S94 S97 H98L86-N91 PolarHBondContact O-ND2 2.83Å; L86-N91 VanDerWaalsContact O-ND2 3.07Å; G88-N91 PolarHBondContact N-OD1 3.38Å; G88-N91 VanDerWaalsContact N-OD1 3.1Å; G88-N91 PolarHBondContact O-N 3.17Å; G88-N91 PolarHBondContact O-OD1 3.42Å; D89-N91 PolarHBondContact O-N 2.75Å; D89-N91 VanDerWaalsContact O-N 3.12Å; N91-W93 PolarHBondContact O-N 3.47Å; N91-W93 PolarHBondContact OD1-N 3.17Å; N91-S94 WeakPolarHBondContact O-CB 3.09Å; N91-S94 PolarHBondContact O-N 3.21Å; N91-S94 PolarHBondContact OD1-N 3.42Å; N91-S97 PolarHBondContact ND2-OG 3.03Å; N91-S97 VanDerWaalsContact ND2-OG 3.17Å; N91-H98 PolarHBondContact ND2-ND1 3.33Å
92G97.5Very high97.5Very high65 Ų6554.7 Ų54.767%0.6729%0.29SS*.THydrogen-bonded Turntrans60.232.4-178.200000112.8G88 D89 S94G88-G92 PolarHBondContact O-N 3.02Å; D89-G92 PolarHBondContact O-N 3.04Å; G92-S94 PolarHBondContact O-N 2.94Å; G92-S94 VanDerWaalsContact O-N 3.17Å
93W97.2Very high97.4Very high83 Ų8355 Ų5531%0.31429%0.287SS..THydrogen-bonded Turntrans60.122.2-179.8-68.789000115.2R87 G88 D89 N91 R95 V127 K129R87-W93 HydrophobicContact CG-CE3 4.35Å; R87-W93 PolarHBondContact NE-O 3.06Å; R87-W93 VanDerWaalsContact NE-O 3.08Å; R87-W93 PolarHBondContact NH2-O 3.29Å; G88-W93 PolarHBondContact O-N 3.22Å; D89-W93 PolarHBondContact OD1-NE1 3.36Å; N91-W93 PolarHBondContact O-N 3.47Å; N91-W93 PolarHBondContact OD1-N 3.17Å; W93-R95 PolarHBondContact O-N 3.44Å; W93-V127 HydrophobicContact CH2-CG1 3.73Å; W93-V127 HydrophobicContact CZ2-CB 4.14Å; W93-V127 HydrophobicContact CZ2-CG1 3.8Å; W93-K129 HydrophobicContact CH2-CG 4.34Å; W93-K129 HydrophobicContact CZ3-CB 4.41Å; W93-K129 HydrophobicContact CZ3-CG 4.03Å
94S97.2Very high97.3Very high38 Ų3861.6 Ų61.627%0.26632%0.315SS..  trans-60.6133.5177.4170.70000111.8R87 N91 G92 S97R87-S94 VanDerWaalsContact CB-O 3.26Å; R87-S94 WeakPolarHBondContact CB-O 3.45Å; N91-S94 WeakPolarHBondContact O-CB 3.09Å; N91-S94 PolarHBondContact O-N 3.21Å; N91-S94 PolarHBondContact OD1-N 3.42Å; G92-S94 PolarHBondContact O-N 2.94Å; G92-S94 VanDerWaalsContact O-N 3.17Å; S94-S97 VanDerWaalsContact CB-OG 3.3Å; S94-S97 WeakPolarHBondContact CB-OG 3.49Å; S94-S97 WeakPolarHBondContact OG-CB 3.42Å; S94-S97 PolarHBondContact OG-N 2.94Å; S94-S97 PolarHBondContact OG-OG 2.87Å; S94-S97 VanDerWaalsContact OG-OG 3.11Å
95R95.7Very high97.1Very high141 Ų14169.1 Ų69.153%0.53235%0.348SS..SBendtrans-82.7-16.2-177.1-65.2-176178.5177.3-0.5114.3F85 W93 L131F85-R95 WeakPolarHBondContact CB-O 3.32Å; F85-R95 VanDerWaalsContact CD1-O 3.28Å; F85-R95 WeakPolarHBondContact CD1-O 3.21Å; F85-R95 VanDerWaalsContact CG-O 3.31Å; F85-R95 WeakPolarHBondContact CG-O 3.2Å; W93-R95 PolarHBondContact O-N 3.44Å; R95-L131 HydrophobicContact CB-CD1 3.87Å; R95-L131 HydrophobicContact CG-CD1 3.71Å
96T94.5Very high97Very high104 Ų10467.3 Ų67.364%0.63834%0.343SS*.SBendtrans-126-9.5-166.7530000113.9H98T96-H98 PolarHBondContact O-N 3.41Å
97S96.2Very high97Very high56 Ų5670.6 Ų70.639%0.39236%0.355SS..SBendtrans-71.7-26.3-171.552.30000114.4N91 S94N91-S97 PolarHBondContact ND2-OG 3.03Å; N91-S97 VanDerWaalsContact ND2-OG 3.17Å; S94-S97 VanDerWaalsContact CB-OG 3.3Å; S94-S97 WeakPolarHBondContact CB-OG 3.49Å; S94-S97 WeakPolarHBondContact OG-CB 3.42Å; S94-S97 PolarHBondContact OG-N 2.94Å; S94-S97 PolarHBondContact OG-OG 2.87Å; S94-S97 VanDerWaalsContact OG-OG 3.11Å
98H98.1Very high97.1Very high42 Ų4270.1 Ų70.119%0.19435%0.353CS..SBendtrans-13267.7-174.5-60.677.2000111.4F85 L86 F90 N91 T96 L110F85-H98 WeakPolarHBondContact CA-O 3.44Å; L86-H98 HydrophobicContact CB-CB 4.19Å; L86-H98 PolarHBondContact N-O 3.08Å; F90-H98 AromaticContact CE2-CD2 3.9Å; F90-H98 AromaticContact CE2-CE1 3.67Å; F90-H98 AromaticContact CE2-NE2 3.54Å; N91-H98 PolarHBondContact ND2-ND1 3.33Å; T96-H98 PolarHBondContact O-N 3.41Å; H98-L110 HydrophobicContact CB-CD1 4.4Å; H98-L110 HydrophobicContact CB-CD2 3.89Å
99P98.2Very high97.1Very high62 Ų6272.8 Ų72.840%0.40337%0.366SS..BIsolated β-bridgetrans-67.9143.9174.529.3-33.3000111.3F85F85-P99 HydrophobicContact CD1-CB 3.69Å; F85-P99 HydrophobicContact CE1-CB 3.61Å; F85-P99 HydrophobicContact CZ-CB 4.47Å
100Y98.6Very high97.2Very high9 Ų969.8 Ų69.84%0.03535%0.349CS..PPolyproline II helixtrans-85144.3167.2-69.2-122.9000110C74 E76 L84 L86 W108 E109 L110C74-Y100 HydrophobicContact CB-CE1 3.5Å; C74-Y100 VanDerWaalsContact CB-OH 3.26Å; C74-Y100 WeakPolarHBondContact CB-OH 3.33Å; E76-Y100 HydrophobicContact CG-CE1 4.08Å; L84-Y100 HydrophobicContact CB-CD2 3.92Å; L84-Y100 HydrophobicContact CB-CG 4.02Å; L84-Y100 PolarHBondContact O-N 3.45Å; L86-Y100 HydrophobicContact CB-CE2 3.81Å; Y100-W108 HydrophobicContact CD1-CB 4Å; Y100-W108 HydrophobicContact CG-CB 4.35Å; Y100-E109 CarbonylContact C-O 3.58Å; Y100-E109 WeakPolarHBondContact CA-O 3.31Å; Y100-L110 HydrophobicContact CD1-CB 3.73Å; Y100-L110 HydrophobicContact CD2-CB 3.95Å; Y100-L110 HydrophobicContact CD2-CD2 4.09Å; Y100-L110 HydrophobicContact CE1-CB 3.97Å; Y100-L110 HydrophobicContact CE2-CB 4.16Å; Y100-L110 HydrophobicContact CE2-CD2 3.82Å; Y100-L110 HydrophobicContact CG-CB 3.72Å
101D98.2Very high97.2Very high100 Ų10073.4 Ų73.454%0.53536%0.363SS..EExtended strand (participates in β ladder)trans-79.7126.8168.3-69.1-30.9000110.2K103 W108 E109D101-K103 HydrophobicContact CB-CD 4.46Å; D101-K103 PolarHBondContact O-N 3.04Å; D101-K103 IonicContact OD2-NZ 3.18Å; D101-W108 WeakPolarHBondContact O-CA 3.32Å; D101-E109 PolarHBondContact N-O 3.08Å; D101-E109 PolarHBondContact O-N 2.85Å
102R98Very high97.3Very high139 Ų13972.6 Ų72.653%0.52536%0.359SS..EExtended strand (participates in β ladder)trans-68128.3169.9-164.4173.6-172.2162.27.4109.8P79 W108P79-R102 PolarHBondContact O-NH2 3.41Å; R102-W108 HydrophobicContact CB-CD2 4.2Å; R102-W108 HydrophobicContact CB-CE3 3.86Å; R102-W108 HydrophobicContact CB-CH2 3.79Å; R102-W108 HydrophobicContact CB-CZ2 4.12Å; R102-W108 HydrophobicContact CB-CZ3 3.66Å; R102-W108 HydrophobicContact CG-CD2 4.25Å; R102-W108 HydrophobicContact CG-CE3 4.39Å; R102-W108 HydrophobicContact CG-CH2 3.95Å; R102-W108 HydrophobicContact CG-CZ2 3.79Å; R102-W108 HydrophobicContact CG-CZ3 4.26Å
103K97Very high97.3Very high89 Ų8973.1 Ų73.139%0.38735%0.35SS..  trans-110.9-176.5175.4-53.1-57.9-175.2-1730110.1D101 R107 E109D101-K103 HydrophobicContact CB-CD 4.46Å; D101-K103 PolarHBondContact O-N 3.04Å; D101-K103 IonicContact OD2-NZ 3.18Å; K103-R107 WeakPolarHBondContact CA-O 3.38Å; K103-R107 HydrophobicContact CB-CB 4.38Å; K103-R107 PolarHBondContact N-O 3.24Å; K103-E109 WeakPolarHBondContact CE-OE1 3.49Å; K103-E109 HydrophobicContact CG-CB 4.17Å; K103-E109 IonicContact NZ-OE1 2.76Å
104E94.7Very high97.3Very high148 Ų14871.1 Ų71.169%0.69235%0.348SS*.G310 helixtrans-62159175.3-61.9-175.3167.700112.1G106 R107E104-G106 PolarHBondContact O-N 3.5Å; E104-G106 VanDerWaalsContact O-N 3.1Å; E104-R107 PolarHBondContact O-N 2.9Å; E104-R107 VanDerWaalsContact O-N 3.17Å
105F95.3Very high97.3Very high160 Ų16073.7 Ų73.770%0.70235%0.354SS*.G310 helixtrans57.622.8177.5-49.8-74.6000115.2W77 R107W77-F105 PolarHBondContact NE1-O 3.44Å; F105-R107 VanDerWaalsContact C-N 3.25Å; F105-R107 PolarHBondContact O-N 3.2Å
106G96.1Very high97.3Very high8 Ų875.6 Ų75.68%0.08238%0.375CS..G310 helixtrans7317.4179.400000114.2A78 E104 W108A78-G106 CarbonylContact C-O 3.39Å; A78-G106 PolarHBondContact N-O 3.11Å; E104-G106 PolarHBondContact O-N 3.5Å; E104-G106 VanDerWaalsContact O-N 3.1Å; G106-W108 VanDerWaalsContact O-CD1 3.29Å
107R97.9Very high97.3Very high69 Ų6976.6 Ų76.626%0.2638%0.376SS..EExtended strand (participates in β ladder)trans-80.5155.8170.8-61.5179.6-174.5164.74.4110.2F62 E76 K103 E104 F105 E318F62-R107 HydrophobicContact CZ-CG 4.42Å; E76-R107 CarbonylContact O-C 3.53Å; E76-R107 WeakPolarHBondContact O-CA 3.27Å; K103-R107 WeakPolarHBondContact CA-O 3.38Å; K103-R107 HydrophobicContact CB-CB 4.38Å; K103-R107 PolarHBondContact N-O 3.24Å; E104-R107 PolarHBondContact O-N 2.9Å; E104-R107 VanDerWaalsContact O-N 3.17Å; F105-R107 VanDerWaalsContact C-N 3.25Å; F105-R107 PolarHBondContact O-N 3.2Å; R107-E318 IonicContact CZ-OE1 3.62Å; R107-E318 IonicContact NE-OE1 3.04Å; R107-E318 PolarHBondContact NE-OE1 3.39Å; R107-E318 IonicContact NH2-OE1 3.53Å; R107-E318 PolarHBondContact NH2-OE1 3.1Å
108W98.7Very high97.2Very high13 Ų1375.7 Ų75.75%0.04938%0.376CS..EExtended strand (participates in β ladder)trans-133.7142.1-179.9-64.582.6000109.1R75 E76 A78 A81 L84 Y100 D101 R102 G106R75-W108 VanDerWaalsContact CA-O 3.25Å; R75-W108 WeakPolarHBondContact CA-O 3.14Å; E76-W108 PolarHBondContact N-O 3.18Å; E76-W108 PolarHBondContact O-N 2.88Å; A78-W108 PolarHBondContact O-NE1 2.72Å; A81-W108 HydrophobicContact CB-CZ2 4.42Å; A81-W108 WeakPolarHBondContact O-CZ2 3.48Å; L84-W108 HydrophobicContact CB-CD2 4.3Å; L84-W108 HydrophobicContact CB-CE3 4.19Å; L84-W108 HydrophobicContact CD1-CB 3.61Å; L84-W108 HydrophobicContact CD1-CD2 3.94Å; L84-W108 HydrophobicContact CD1-CG 3.45Å; L84-W108 VanDerWaalsContact CD1-CG 3.45Å; L84-W108 HydrophobicContact CG-CB 4.42Å; L84-W108 HydrophobicContact CG-CD2 3.84Å; L84-W108 HydrophobicContact CG-CE3 4.2Å; L84-W108 HydrophobicContact CG-CG 3.93Å; Y100-W108 HydrophobicContact CD1-CB 4Å; Y100-W108 HydrophobicContact CG-CB 4.35Å; D101-W108 WeakPolarHBondContact O-CA 3.32Å; R102-W108 HydrophobicContact CB-CD2 4.2Å; R102-W108 HydrophobicContact CB-CE3 3.86Å; R102-W108 HydrophobicContact CB-CH2 3.79Å; R102-W108 HydrophobicContact CB-CZ2 4.12Å; R102-W108 HydrophobicContact CB-CZ3 3.66Å; R102-W108 HydrophobicContact CG-CD2 4.25Å; R102-W108 HydrophobicContact CG-CE3 4.39Å; R102-W108 HydrophobicContact CG-CH2 3.95Å; R102-W108 HydrophobicContact CG-CZ2 3.79Å; R102-W108 HydrophobicContact CG-CZ3 4.26Å; G106-W108 VanDerWaalsContact O-CD1 3.29Å
109E98.6Very high97.1Very high56 Ų5675.8 Ų75.826%0.26238%0.381SS..EExtended strand (participates in β ladder)trans-137.4139.3-179.1-176.5179.376.200111.4C74 R75 Y100 D101 K103C74-E109 CarbonylContact O-C 3.55Å; C74-E109 VanDerWaalsContact O-CA 3.31Å; C74-E109 WeakPolarHBondContact O-CA 3.36Å; R75-E109 HydrophobicContact CG-CB 4.25Å; R75-E109 HydrophobicContact CG-CG 3.99Å; R75-E109 IonicContact CZ-OE2 3.66Å; R75-E109 VanDerWaalsContact CZ-OE2 3.25Å; R75-E109 IonicContact NE-OE2 3.49Å; R75-E109 PolarHBondContact NE-OE2 2.9Å; R75-E109 IonicContact NH2-OE2 2.89Å; R75-E109 PolarHBondContact NH2-OE2 2.83Å; Y100-E109 CarbonylContact C-O 3.58Å; Y100-E109 WeakPolarHBondContact CA-O 3.31Å; D101-E109 PolarHBondContact N-O 3.08Å; D101-E109 PolarHBondContact O-N 2.85Å; K103-E109 WeakPolarHBondContact CE-OE1 3.49Å; K103-E109 HydrophobicContact CG-CB 4.17Å; K103-E109 IonicContact NZ-OE1 2.76Å
110L98.4Very high97.1Very high16 Ų1673.8 Ų73.88%0.08437%0.369CS..EExtended strand (participates in β ladder)trans-133.9137172162.868.1000108.1C74 L86 H98 Y100 I112C74-L110 HydrophobicContact CB-CB 4.22Å; C74-L110 PolarHBondContact N-O 2.8Å; C74-L110 PolarHBondContact O-N 2.9Å; L86-L110 HydrophobicContact CB-CD2 3.62Å; L86-L110 HydrophobicContact CD2-CD2 4.18Å; H98-L110 HydrophobicContact CB-CD1 4.4Å; H98-L110 HydrophobicContact CB-CD2 3.89Å; Y100-L110 HydrophobicContact CD1-CB 3.73Å; Y100-L110 HydrophobicContact CD2-CB 3.95Å; Y100-L110 HydrophobicContact CD2-CD2 4.09Å; Y100-L110 HydrophobicContact CE1-CB 3.97Å; Y100-L110 HydrophobicContact CE2-CB 4.16Å; Y100-L110 HydrophobicContact CE2-CD2 3.82Å; Y100-L110 HydrophobicContact CG-CB 3.72Å; L110-I112 HydrophobicContact CD1-CG1 4.26Å; L110-I112 HydrophobicContact CD2-CD1 4.06Å; L110-I112 HydrophobicContact CD2-CG1 4.07Å; L110-I112 HydrophobicContact CG-CG1 4Å
111Y98.4Very high97Very high119 Ų11974 Ų7447%0.46737%0.371SS..EExtended strand (participates in β ladder)trans-116.2127.6168.9176.4-115.1000110.1T67 V73 P113T67-Y111 HydrophobicContact CG2-CE2 4.21Å; V73-Y111 HydrophobicContact CG2-CD2 3.63Å; V73-Y111 HydrophobicContact CG2-CE2 4.2Å; Y111-P113 HydrophobicContact CE1-CB 4.17Å
112I98.2Very high97Very high8 Ų869.3 Ų69.34%0.04135%0.346CS..EExtended strand (participates in β ladder)trans-110.6114.8174.9-49179.2000107.1G71 V72 L86 F90 L110 P121 I122G71-I112 CarbonylContact C-O 3.58Å; G71-I112 VanDerWaalsContact CA-O 3.26Å; G71-I112 WeakPolarHBondContact CA-O 3.15Å; V72-I112 HydrophobicContact CB-CB 4.48Å; V72-I112 PolarHBondContact N-O 3.15Å; V72-I112 PolarHBondContact O-N 3.15Å; L86-I112 HydrophobicContact CD2-CD1 3.69Å; F90-I112 HydrophobicContact CE2-CD1 3.89Å; F90-I112 HydrophobicContact CZ-CD1 4.05Å; L110-I112 HydrophobicContact CD1-CG1 4.26Å; L110-I112 HydrophobicContact CD2-CD1 4.06Å; L110-I112 HydrophobicContact CD2-CG1 4.07Å; L110-I112 HydrophobicContact CG-CG1 4Å; I112-P121 HydrophobicContact CB-CG 4.02Å; I112-P121 HydrophobicContact CG2-CB 3.56Å; I112-P121 HydrophobicContact CG2-CG 3.58Å; I112-I122 HydrophobicContact CD1-CD1 4.15Å
113P97.9Very high96.9Very high76 Ų7665.4 Ų65.449%0.49434%0.338SS..PPolyproline II helixtrans-65.3157.618028.5-34.4000111.3Y111 P121Y111-P113 HydrophobicContact CE1-CB 4.17Å; P113-P121 WeakPolarHBondContact O-CB 3.2Å; P113-P121 WeakPolarHBondContact O-CG 3.3Å
114P97.8Very high97Very high41 Ų4165.3 Ų65.327%0.26634%0.339SS..PPolyproline II helixtrans-55.6157.1168.327.8-35.8000111.1A69 N70A69-P114 WeakPolarHBondContact O-CB 3.39Å; A69-P114 WeakPolarHBondContact O-CG 3.44Å; N70-P114 HydrophobicContact CB-CB 4.33Å
115K96.3Very high97.1Very high92 Ų9260.1 Ų60.140%0.433%0.326SS..PPolyproline II helixtrans-63.7164.3170.1-65.9-178.7-173.9167.80110.1D117 G118 S119 C120K115-D117 VanDerWaalsContact CB-OD1 3.3Å; K115-D117 WeakPolarHBondContact CB-OD1 3.42Å; K115-D117 PolarHBondContact O-N 3.49Å; K115-D117 VanDerWaalsContact O-N 3.07Å; K115-G118 WeakPolarHBondContact O-CA 3.34Å; K115-G118 PolarHBondContact O-N 3.09Å; K115-S119 PolarHBondContact N-O 3.11Å; K115-C120 WeakPolarHBondContact CE-O 3.36Å
116D95.4Very high97.2Very high181 Ų18153 Ų5397%0.96830%0.296SS*.THydrogen-bonded Turntrans-57.5-25.3179.3-64.7-24.5000113.3G118D116-G118 VanDerWaalsContact C-N 3.29Å
117D95.4Very high97.3Very high125 Ų12554 Ų5467%0.66830%0.301SS*.THydrogen-bonded Turntrans-841.8175.266.93.6000114.1K115 S119K115-D117 VanDerWaalsContact CB-OD1 3.3Å; K115-D117 WeakPolarHBondContact CB-OD1 3.42Å; K115-D117 PolarHBondContact O-N 3.49Å; K115-D117 VanDerWaalsContact O-N 3.07Å; D117-S119 VanDerWaalsContact C-N 3.29Å; D117-S119 PolarHBondContact O-N 2.91Å; D117-S119 WeakPolarHBondContact OD1-CB 3.41Å; D117-S119 PolarHBondContact OD1-N 3.41Å; D117-S119 PolarHBondContact OD1-OG 3.41Å; D117-S119 PolarHBondContact OD2-OG 2.94Å
118G95.1Very high97.3Very high37 Ų3750.8 Ų50.838%0.38129%0.288SS..SBendtrans80.11.8-177.800000114.9N70 K115 D116N70-G118 WeakPolarHBondContact CB-O 3.23Å; N70-G118 PolarHBondContact ND2-O 3.01Å; K115-G118 WeakPolarHBondContact O-CA 3.34Å; K115-G118 PolarHBondContact O-N 3.09Å; D116-G118 VanDerWaalsContact C-N 3.29Å
119S95.4Very high97.2Very high44 Ų4450.7 Ų50.731%0.30829%0.288SS..SBendtrans-80.5162.1177.1720000112.5K115 D117K115-S119 PolarHBondContact N-O 3.11Å; D117-S119 VanDerWaalsContact C-N 3.29Å; D117-S119 PolarHBondContact O-N 2.91Å; D117-S119 WeakPolarHBondContact OD1-CB 3.41Å; D117-S119 PolarHBondContact OD1-N 3.41Å; D117-S119 PolarHBondContact OD1-OG 3.41Å; D117-S119 PolarHBondContact OD2-OG 2.94Å
120C97.2Very high97.2Very high20 Ų2048 Ų4814%0.13528%0.276CS..  trans-59.9133.5179.2-1720000111.2N70 K115 I122N70-C120 WeakPolarHBondContact O-CA 3.43Å; K115-C120 WeakPolarHBondContact CE-O 3.36Å; C120-I122 PolarHBondContact O-N 3.04Å; C120-I122 PolarHBondContact SG-O 3.35Å
121P97.5Very high97.1Very high14 Ų1447.3 Ų47.39%0.09127%0.272CS..SBendtrans-66.2-27.5-178.827.9-35000112.5N70 V72 I112 P113N70-P121 WeakPolarHBondContact O-CD 3.13Å; V72-P121 HydrophobicContact CB-CG 4.43Å; V72-P121 HydrophobicContact CG2-CG 3.83Å; I112-P121 HydrophobicContact CB-CG 4.02Å; I112-P121 HydrophobicContact CG2-CB 3.56Å; I112-P121 HydrophobicContact CG2-CG 3.58Å; P113-P121 WeakPolarHBondContact O-CB 3.2Å; P113-P121 WeakPolarHBondContact O-CG 3.3Å
122I98Very high97.1Very high0 Ų041.7 Ų41.70%025%0.25CC..SBendtrans-106.8110.4177.1-52.3-180000108.5V72 L86 F90 I112 C120 L128 F162V72-I122 HydrophobicContact CB-CD1 4.5Å; V72-I122 HydrophobicContact CG1-CD1 4.29Å; V72-I122 HydrophobicContact CG2-CD1 4.34Å; V72-I122 HydrophobicContact CG2-CG1 4.38Å; L86-I122 HydrophobicContact CD2-CD1 3.97Å; F90-I122 HydrophobicContact CB-CG1 4.34Å; F90-I122 HydrophobicContact CB-CG2 4.3Å; F90-I122 HydrophobicContact CD1-CG1 4.32Å; F90-I122 HydrophobicContact CD2-CG1 3.95Å; F90-I122 HydrophobicContact CE2-CG1 4.34Å; F90-I122 HydrophobicContact CG-CG1 3.93Å; F90-I122 HydrophobicContact CG-CG2 4.5Å; I112-I122 HydrophobicContact CD1-CD1 4.15Å; C120-I122 PolarHBondContact O-N 3.04Å; C120-I122 PolarHBondContact SG-O 3.35Å; I122-L128 HydrophobicContact CD1-CD1 4.29Å; I122-L128 HydrophobicContact CG2-CD1 4.19Å; I122-L128 HydrophobicContact CG2-CD2 4.05Å; I122-F162 HydrophobicContact CB-CD1 3.91Å; I122-F162 HydrophobicContact CB-CE1 3.92Å; I122-F162 HydrophobicContact CB-CG 4.28Å; I122-F162 HydrophobicContact CB-CZ 4.3Å; I122-F162 HydrophobicContact CG2-CB 3.85Å; I122-F162 HydrophobicContact CG2-CD1 3.54Å; I122-F162 HydrophobicContact CG2-CD2 4.17Å; I122-F162 HydrophobicContact CG2-CE1 4.09Å; I122-F162 HydrophobicContact CG2-CG 3.58Å; I122-F162 WeakPolarHBondContact O-CD1 3.31Å; I122-F162 VanDerWaalsContact O-CE1 3.25Å; I122-F162 WeakPolarHBondContact O-CE1 3.48Å
123P96.6Very high97.1Very high57 Ų5742.8 Ų42.837%0.3726%0.257SS..  trans-61143.5175.3-22.232.5000112.1G125 S126P123-G125 PolarHBondContact O-N 2.95Å; P123-S126 WeakPolarHBondContact CD-OG 3.44Å; P123-S126 VanDerWaalsContact O-CB 3.24Å; P123-S126 WeakPolarHBondContact O-CB 3.06Å; P123-S126 PolarHBondContact O-N 3.43Å; P123-S126 VanDerWaalsContact O-N 3.15Å; P123-S126 PolarHBondContact O-OG 3.37Å
124H97.4Very high97Very high87 Ų8740.8 Ų40.840%0.40324%0.241SC..THydrogen-bonded Turntrans-54138.3168.9174.747000111.1S126 F162 Y163 N164H124-S126 VanDerWaalsContact C-N 3.25Å; H124-S126 PolarHBondContact O-N 3.19Å; H124-F162 PolarHBondContact ND1-O 3.4Å; H124-Y163 AromaticContact CE1-CD2 3.7Å; H124-Y163 AromaticContact CE1-CE2 3.9Å; H124-N164 WeakPolarHBondContact CB-O 3.48Å; H124-N164 PolarHBondContact ND1-N 2.95Å; H124-N164 VanDerWaalsContact ND1-N 3.17Å
125G97.2Very high97Very high40 Ų4044.4 Ų44.441%0.41226%0.258SS..THydrogen-bonded Turntrans84.2-4.9-179.200000113.9P123 F162P123-G125 PolarHBondContact O-N 2.95Å; G125-F162 PolarHBondContact N-O 2.97Å
126S98Very high96.9Very high11 Ų1143.9 Ų43.98%0.07728%0.278CS..  trans-62.4137.5174.3-58.70000110.9P123 H124 F162P123-S126 WeakPolarHBondContact CD-OG 3.44Å; P123-S126 VanDerWaalsContact O-CB 3.24Å; P123-S126 WeakPolarHBondContact O-CB 3.06Å; P123-S126 PolarHBondContact O-N 3.43Å; P123-S126 VanDerWaalsContact O-N 3.15Å; P123-S126 PolarHBondContact O-OG 3.37Å; H124-S126 VanDerWaalsContact C-N 3.25Å; H124-S126 PolarHBondContact O-N 3.19Å; S126-F162 PolarHBondContact O-N 3.37Å
127V97.7Very high96.9Very high29 Ų2940.5 Ų40.518%0.17626%0.257CS..EExtended strand (participates in β ladder)trans-80.8134.4171.7177.10000110G88 D89 W93 H159 Q160G88-V127 CarbonylContact C-O 3.57Å; G88-V127 WeakPolarHBondContact CA-O 3.46Å; D89-V127 PolarHBondContact N-O 2.94Å; D89-V127 WeakPolarHBondContact OD2-CB 3.41Å; D89-V127 PolarHBondContact OD2-N 2.92Å; W93-V127 HydrophobicContact CH2-CG1 3.73Å; W93-V127 HydrophobicContact CZ2-CB 4.14Å; W93-V127 HydrophobicContact CZ2-CG1 3.8Å; V127-H159 HydrophobicContact CG1-CB 3.73Å; V127-Q160 CarbonylContact C-O 3.56Å; V127-Q160 WeakPolarHBondContact CA-O 3.34Å
128L97.4Very high96.9Very high0 Ų038.8 Ų38.80%025%0.246CC..EExtended strand (participates in β ladder)trans-130.1154.2-177.5-57178.5000111.9M64 R87 F90 I122 Q160 F162M64-L128 HydrophobicContact CE-CB 4.43Å; M64-L128 HydrophobicContact CE-CD1 4.03Å; M64-L128 HydrophobicContact SD-CD1 3.3Å; M64-L128 WeakPolarHBondContact SD-CD1 3.21Å; R87-L128 CarbonylContact O-C 3.57Å; R87-L128 WeakPolarHBondContact O-CA 3.4Å; F90-L128 HydrophobicContact CD1-CD2 3.49Å; F90-L128 VanDerWaalsContact CD1-CD2 3.49Å; F90-L128 HydrophobicContact CE1-CD2 3.76Å; I122-L128 HydrophobicContact CD1-CD1 4.29Å; I122-L128 HydrophobicContact CG2-CD1 4.19Å; I122-L128 HydrophobicContact CG2-CD2 4.05Å; L128-Q160 HydrophobicContact CB-CB 4.48Å; L128-Q160 PolarHBondContact N-O 2.89Å; L128-Q160 WeakPolarHBondContact O-CB 3.29Å; L128-F162 HydrophobicContact CD1-CB 3.81Å; L128-F162 HydrophobicContact CD1-CD2 3.85Å; L128-F162 HydrophobicContact CD1-CG 4.15Å; L128-F162 HydrophobicContact CG-CB 4.36Å
129K97.1Very high96.9Very high11 Ų1140.9 Ų40.95%0.04824%0.243CC..EExtended strand (participates in β ladder)trans-142.2147.1166.4-69.5-68.6-176172.90109.6R87 W93 D140 K141 V142 Y158R87-K129 HydrophobicContact CG-CB 4.28Å; R87-K129 PolarHBondContact N-O 3.46Å; R87-K129 PolarHBondContact O-N 2.6Å; R87-K129 VanDerWaalsContact O-O 3.07Å; W93-K129 HydrophobicContact CH2-CG 4.34Å; W93-K129 HydrophobicContact CZ3-CB 4.41Å; W93-K129 HydrophobicContact CZ3-CG 4.03Å; K129-D140 HydrophobicContact CB-CB 4.21Å; K129-D140 HydrophobicContact CD-CB 4.34Å; K129-D140 HydrophobicContact CG-CB 4.17Å; K129-K141 WeakPolarHBondContact CA-O 3.18Å; K129-K141 WeakPolarHBondContact CD-O 3.26Å; K129-V142 HydrophobicContact CD-CG2 4.44Å; K129-Y158 PolarHBondContact NZ-O 3.46Å
130V97.8Very high96.9Very high0 Ų041.9 Ų41.90%025%0.245CC..EExtended strand (participates in β ladder)trans-93.5118.6164.8-178.70000107.4M64 L84 L86 V132 K141 W288M64-V130 HydrophobicContact CE-CG2 4.21Å; L84-V130 HydrophobicContact CB-CG1 4.46Å; L84-V130 HydrophobicContact CD1-CG1 4.48Å; L84-V130 HydrophobicContact CD2-CG1 4.21Å; L86-V130 HydrophobicContact CD1-CG2 4.35Å; V130-V132 HydrophobicContact CG1-CG2 4.34Å; V130-K141 PolarHBondContact N-O 3.14Å; V130-K141 PolarHBondContact O-N 3.14Å; V130-W288 HydrophobicContact CB-CH2 3.7Å; V130-W288 HydrophobicContact CB-CZ3 4.27Å; V130-W288 HydrophobicContact CG1-CH2 3.86Å; V130-W288 HydrophobicContact CG1-CZ2 4.44Å; V130-W288 HydrophobicContact CG2-CH2 3.95Å
131L97.7Very high96.9Very high2 Ų241.1 Ų41.11%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-85.5117.2175.4-175.5155.9000108.4L84 F85 R95 T133 I138 Y139L84-L131 CarbonylContact C-O 3.52Å; L84-L131 WeakPolarHBondContact CA-O 3.3Å; F85-L131 HydrophobicContact CB-CB 4.23Å; F85-L131 HydrophobicContact CD2-CD2 3.76Å; F85-L131 HydrophobicContact CE2-CD2 4.47Å; F85-L131 HydrophobicContact CG-CD2 4.47Å; F85-L131 PolarHBondContact N-O 3.2Å; F85-L131 PolarHBondContact O-N 3.1Å; R95-L131 HydrophobicContact CB-CD1 3.87Å; R95-L131 HydrophobicContact CG-CD1 3.71Å; L131-T133 HydrophobicContact CD2-CG2 3.66Å; L131-I138 HydrophobicContact CD1-CG2 3.65Å; L131-I138 HydrophobicContact CD2-CG2 3.58Å; L131-I138 HydrophobicContact CG-CG2 3.45Å; L131-I138 VanDerWaalsContact CG-CG2 3.45Å; L131-Y139 CarbonylContact C-O 3.52Å; L131-Y139 WeakPolarHBondContact CA-O 3.48Å
132V97.9Very high96.9Very high0 Ų040.8 Ų40.80%024%0.237CC..EExtended strand (participates in β ladder)trans-105.3123.6-179.1-175.80000108.8A81 L84 V130 Y139 K141A81-V132 HydrophobicContact CB-CG1 3.84Å; L84-V132 HydrophobicContact CD2-CB 4.04Å; L84-V132 HydrophobicContact CD2-CG1 3.94Å; L84-V132 HydrophobicContact CD2-CG2 3.68Å; V130-V132 HydrophobicContact CG1-CG2 4.34Å; V132-Y139 PolarHBondContact N-O 3.31Å; V132-Y139 PolarHBondContact O-N 2.98Å; V132-K141 HydrophobicContact CB-CG 4.42Å; V132-K141 HydrophobicContact CG2-CB 4.17Å; V132-K141 HydrophobicContact CG2-CG 3.71Å
133T97.7Very high96.9Very high31 Ų3140.9 Ų40.919%0.1924%0.238CC..EExtended strand (participates in β ladder)trans-100.7129.3172.966.40000110.4D82 G83 F85 L131 H137 I138D82-T133 WeakPolarHBondContact CB-O 3.25Å; D82-T133 PolarHBondContact N-O 3.2Å; G83-T133 VanDerWaalsContact CA-OG1 3.23Å; G83-T133 WeakPolarHBondContact CA-OG1 3.39Å; G83-T133 PolarHBondContact N-OG1 3.48Å; G83-T133 PolarHBondContact O-N 2.93Å; G83-T133 PolarHBondContact O-OG1 2.81Å; F85-T133 HydrophobicContact CD2-CG2 4.44Å; F85-T133 HydrophobicContact CE2-CG2 4.06Å; L131-T133 HydrophobicContact CD2-CG2 3.66Å; T133-H137 CarbonylContact C-O 3.51Å; T133-H137 VanDerWaalsContact CA-O 3.29Å; T133-H137 WeakPolarHBondContact CA-O 3.48Å; T133-I138 HydrophobicContact CG2-CG1 4.2Å
134K97.2Very high97Very high35 Ų3538.5 Ų38.515%0.15222%0.222CC..EExtended strand (participates in β ladder)trans-148.1126175.9179.556.9175.8176.80111.6G80 D82 G136 H137 Y139G80-K134 VanDerWaalsContact O-CD 3.24Å; G80-K134 WeakPolarHBondContact O-CD 3.35Å; G80-K134 VanDerWaalsContact O-CE 3.25Å; G80-K134 WeakPolarHBondContact O-CE 3.45Å; G80-K134 PolarHBondContact O-NZ 2.81Å; D82-K134 IonicContact OD1-NZ 3.51Å; D82-K134 WeakPolarHBondContact OD2-CA 3.12Å; K134-G136 PolarHBondContact O-N 2.78Å; K134-H137 PolarHBondContact N-O 3.32Å; K134-H137 WeakPolarHBondContact O-CA 3.21Å; K134-H137 WeakPolarHBondContact O-CB 3.29Å; K134-H137 PolarHBondContact O-N 3.28Å; K134-Y139 HydrophobicContact CB-CE2 4.16Å
135D96Very high97.1Very high116 Ų11634.9 Ų34.962%0.6221%0.205SC*.THydrogen-bonded Turntrans51.243.9176.4-58.9-38.1000112.2D82 H137D82-D135 PolarHBondContact OD2-N 2.83Å; D135-H137 PolarHBondContact O-N 3.42Å; D135-H137 PolarHBondContact O-ND1 3.22Å
136G94.2Very high97.1Very high81 Ų8133 Ų3384%0.83519%0.186SC*.THydrogen-bonded Turntrans75.6-4.5-177.800000115.6K134K134-G136 PolarHBondContact O-N 2.78Å
137H96Very high97.1Very high111 Ų11134.5 Ų34.551%0.51420%0.195SC..EExtended strand (participates in β ladder)trans-92.9154.3175.6-59.582.7000111.2T133 K134 D135 Y139T133-H137 CarbonylContact C-O 3.51Å; T133-H137 VanDerWaalsContact CA-O 3.29Å; T133-H137 WeakPolarHBondContact CA-O 3.48Å; K134-H137 PolarHBondContact N-O 3.32Å; K134-H137 WeakPolarHBondContact O-CA 3.21Å; K134-H137 WeakPolarHBondContact O-CB 3.29Å; K134-H137 PolarHBondContact O-N 3.28Å; D135-H137 PolarHBondContact O-N 3.42Å; D135-H137 PolarHBondContact O-ND1 3.22Å; H137-Y139 HydrophobicContact CB-CE1 4.39Å; H137-Y139 HydrophobicContact CB-CE2 3.71Å; H137-Y139 WeakPolarHBondContact CB-OH 3.3Å
138I95.5Very high97.2Very high88 Ų8834.4 Ų34.445%0.45119%0.191SC..EExtended strand (participates in β ladder)trans-123.3128.9179.8-62.3178.9000108.4L131 T133L131-I138 HydrophobicContact CD1-CG2 3.65Å; L131-I138 HydrophobicContact CD2-CG2 3.58Å; L131-I138 HydrophobicContact CG-CG2 3.45Å; L131-I138 VanDerWaalsContact CG-CG2 3.45Å; T133-I138 HydrophobicContact CG2-CG1 4.2Å
139Y95.9Very high97.2Very high81 Ų8134.4 Ų34.432%0.31819%0.191SC..EExtended strand (participates in β ladder)trans-124131.2178.5-50.4-81.8000109.9L131 V132 K134 H137L131-Y139 CarbonylContact C-O 3.52Å; L131-Y139 WeakPolarHBondContact CA-O 3.48Å; V132-Y139 PolarHBondContact N-O 3.31Å; V132-Y139 PolarHBondContact O-N 2.98Å; K134-Y139 HydrophobicContact CB-CE2 4.16Å; H137-Y139 HydrophobicContact CB-CE1 4.39Å; H137-Y139 HydrophobicContact CB-CE2 3.71Å; H137-Y139 WeakPolarHBondContact CB-OH 3.3Å
140D95.6Very high97.2Very high65 Ų6535.4 Ų35.435%0.34820%0.2SC..EExtended strand (participates in β ladder)trans-87125166.3-76.5-35.9000108.3R87 K129R87-D140 WeakPolarHBondContact CD-OD1 3.24Å; R87-D140 IonicContact CZ-OD1 2.76Å; R87-D140 IonicContact NH1-OD1 3.61Å; R87-D140 PolarHBondContact NH1-OD1 3.17Å; R87-D140 IonicContact NH1-OD2 3.22Å; R87-D140 PolarHBondContact NH1-OD2 3.2Å; K129-D140 HydrophobicContact CB-CB 4.21Å; K129-D140 HydrophobicContact CD-CB 4.34Å; K129-D140 HydrophobicContact CG-CB 4.17Å
141K97.3Very high97.1Very high5 Ų537.7 Ų37.72%0.02222%0.215CC..EExtended strand (participates in β ladder)trans-128.8160.9-175.3-61.3-72.4-165.7166.20111.8K129 V130 V132 T281 N286 Q287 W288K129-K141 WeakPolarHBondContact CA-O 3.18Å; K129-K141 WeakPolarHBondContact CD-O 3.26Å; V130-K141 PolarHBondContact N-O 3.14Å; V130-K141 PolarHBondContact O-N 3.14Å; V132-K141 HydrophobicContact CB-CG 4.42Å; V132-K141 HydrophobicContact CG2-CB 4.17Å; V132-K141 HydrophobicContact CG2-CG 3.71Å; K141-T281 VanDerWaalsContact CD-O 3.25Å; K141-T281 WeakPolarHBondContact CD-O 3.33Å; K141-T281 WeakPolarHBondContact CE-O 3.3Å; K141-T281 PolarHBondContact NZ-O 3.5Å; K141-N286 PolarHBondContact NZ-O 3.35Å; K141-N286 VanDerWaalsContact NZ-O 3.15Å; K141-Q287 WeakPolarHBondContact CE-O 3.41Å; K141-Q287 PolarHBondContact NZ-O 3Å; K141-W288 HydrophobicContact CB-CE3 3.56Å; K141-W288 HydrophobicContact CB-CH2 4.35Å; K141-W288 HydrophobicContact CB-CZ3 3.26Å; K141-W288 HydrophobicContact CG-CE3 4.07Å; K141-W288 HydrophobicContact CG-CZ3 4.19Å
142V97.1Very high96.9Very high6 Ų639.3 Ų39.34%0.03623%0.225CC..  trans-96.8133.8170.11700000108.5K129 A146 V149 Q160 W288K129-V142 HydrophobicContact CD-CG2 4.44Å; V142-A146 HydrophobicContact CG1-CB 3.66Å; V142-V149 HydrophobicContact CG1-CG1 3.57Å; V142-Q160 HydrophobicContact CG1-CB 4.19Å; V142-Q160 HydrophobicContact CG2-CB 4.42Å; V142-W288 VanDerWaalsContact C-CZ3 3.48Å; V142-W288 WeakPolarHBondContact O-CZ3 3.47Å
143S98.2Very high96.4Very high2 Ų245.6 Ų45.61%0.01427%0.27CS..  trans-52.8135.3177.3175.90000111.2E76 W145 A146 Q160E76-S143 WeakPolarHBondContact OE1-CB 3.48Å; E76-S143 PolarHBondContact OE1-OG 3.35Å; E76-S143 PolarHBondContact OE2-OG 3.49Å; S143-W145 PolarHBondContact O-N 2.85Å; S143-W145 PolarHBondContact OG-N 2.94Å; S143-W145 VanDerWaalsContact OG-N 3.15Å; S143-A146 VanDerWaalsContact O-CB 3.24Å; S143-A146 WeakPolarHBondContact O-CB 3.17Å; S143-A146 PolarHBondContact O-N 3.17Å; S143-Q160 VanDerWaalsContact CB-OE1 3.31Å
144P98.5Very high96Very high7 Ų751.2 Ų51.25%0.04530%0.298CS..THydrogen-bonded Turntrans-51.9-29.1169.6-2936.1000112.8L285 W288 Y295 F322P144-L285 HydrophobicContact CB-CD1 3.57Å; P144-L285 HydrophobicContact CG-CD1 3.72Å; P144-W288 VanDerWaalsContact CD-CH2 3.49Å; P144-W288 HydrophobicContact CG-CD2 3.63Å; P144-W288 HydrophobicContact CG-CE3 4.16Å; P144-W288 HydrophobicContact CG-CG 3.88Å; P144-W288 HydrophobicContact CG-CZ2 4.01Å; P144-Y295 HydrophobicContact CB-CE2 4.23Å; P144-Y295 WeakPolarHBondContact CB-OH 3.38Å; P144-Y295 HydrophobicContact CG-CE2 3.86Å; P144-F322 HydrophobicContact CB-CD2 4.4Å; P144-F322 HydrophobicContact CB-CE2 3.67Å; P144-F322 HydrophobicContact CB-CZ 4.35Å; P144-F322 VanDerWaalsContact O-CE2 3.29Å; P144-F322 WeakPolarHBondContact O-CE2 3.32Å
145W98.6Very high95.6Very high11 Ų1151.4 Ų51.44%0.04230%0.304CS..THydrogen-bonded Turntrans-100.215.5-177.2-5688.9000112.8F62 S143 T147 F242 F322F62-W145 HydrophobicContact CB-CD2 3.49Å; F62-W145 VanDerWaalsContact CB-CD2 3.49Å; F62-W145 HydrophobicContact CB-CE3 4.04Å; F62-W145 HydrophobicContact CB-CG 3.76Å; F62-W145 HydrophobicContact CB-CH2 4.27Å; F62-W145 HydrophobicContact CB-CZ2 3.76Å; F62-W145 HydrophobicContact CB-CZ3 4.4Å; F62-W145 HydrophobicContact CD1-CZ2 4.41Å; F62-W145 AromaticContact CD1-NE1 3.83Å; F62-W145 HydrophobicContact CD2-CH2 4.44Å; F62-W145 HydrophobicContact CD2-CZ2 4.04Å; F62-W145 HydrophobicContact CG-CD2 4.42Å; F62-W145 AromaticContact CG-CE2 3.77Å; F62-W145 AromaticContact CG-CZ2 3.83Å; F62-W145 HydrophobicContact CG-CZ2 3.83Å; F62-W145 AromaticContact CG-NE1 3.85Å; S143-W145 PolarHBondContact O-N 2.85Å; S143-W145 PolarHBondContact OG-N 2.94Å; S143-W145 VanDerWaalsContact OG-N 3.15Å; W145-T147 PolarHBondContact O-N 3.07Å; W145-F242 HydrophobicContact CD2-CE2 4.27Å; W145-F242 HydrophobicContact CD2-CZ 4.44Å; W145-F242 HydrophobicContact CE3-CD1 4.33Å; W145-F242 HydrophobicContact CE3-CD2 4.18Å; W145-F242 AromaticContact CE3-CE1 3.8Å; W145-F242 HydrophobicContact CE3-CE1 3.8Å; W145-F242 AromaticContact CE3-CE2 3.64Å; W145-F242 HydrophobicContact CE3-CE2 3.64Å; W145-F242 AromaticContact CE3-CZ 3.42Å; W145-F242 HydrophobicContact CE3-CZ 3.42Å; W145-F242 VanDerWaalsContact CE3-CZ 3.42Å; W145-F242 HydrophobicContact CH2-CZ 4.21Å; W145-F242 AromaticContact CZ3-CE1 3.8Å; W145-F242 HydrophobicContact CZ3-CE1 3.8Å; W145-F242 AromaticContact CZ3-CE2 3.86Å; W145-F242 HydrophobicContact CZ3-CE2 3.86Å; W145-F242 AromaticContact CZ3-CZ 3.28Å; W145-F242 HydrophobicContact CZ3-CZ 3.28Å; W145-F322 HydrophobicContact CD2-CD2 4.21Å; W145-F322 HydrophobicContact CD2-CE2 4.46Å; W145-F322 AromaticContact CE2-CD2 3.79Å; W145-F322 HydrophobicContact CH2-CB 4.4Å; W145-F322 HydrophobicContact CH2-CD2 4.2Å; W145-F322 HydrophobicContact CZ2-CB 4.24Å; W145-F322 AromaticContact CZ2-CD2 3.8Å; W145-F322 HydrophobicContact CZ2-CD2 3.8Å
146A98.4Very high95.2Very high0 Ų053.2 Ų53.20%031%0.312CS..  trans-59.8125.6176.200000110.7V142 S143 V149 Q160 F242 A243V142-A146 HydrophobicContact CG1-CB 3.66Å; S143-A146 VanDerWaalsContact O-CB 3.24Å; S143-A146 WeakPolarHBondContact O-CB 3.17Å; S143-A146 PolarHBondContact O-N 3.17Å; A146-V149 HydrophobicContact CB-CG1 3.94Å; A146-Q160 HydrophobicContact CB-CG 3.89Å; A146-F242 CarbonylContact O-C 3.59Å; A146-A243 PolarHBondContact O-N 2.94Å
147T98Very high95.2Very high43 Ų4352.5 Ų52.526%0.26429%0.289SS..SBendtrans-88.9-15.7-179.957.10000113.1W145 A243 W329W145-T147 PolarHBondContact O-N 3.07Å; T147-A243 WeakPolarHBondContact O-CA 3.32Å; T147-W329 HydrophobicContact CG2-CH2 3.63Å; T147-W329 HydrophobicContact CG2-CZ2 3.49Å; T147-W329 VanDerWaalsContact CG2-CZ2 3.49Å
148Y98.5Very high95.2Very high27 Ų2747.9 Ų47.911%0.10627%0.267CS..  trans-154.8134.3174.6-163.1-133000110.9C150 V161 Y163 G249 P251Y148-C150 WeakPolarHBondContact CE1-SG 3.16Å; Y148-V161 HydrophobicContact CD1-CB 3.85Å; Y148-V161 HydrophobicContact CD1-CG1 4.03Å; Y148-V161 PolarHBondContact O-N 3.18Å; Y148-Y163 AromaticContact CD1-CD2 3.82Å; Y148-Y163 HydrophobicContact CD1-CD2 3.82Å; Y148-Y163 HydrophobicContact CE1-CD2 4.38Å; Y148-Y163 HydrophobicContact CG-CD2 4.18Å; Y148-G249 PolarHBondContact OH-O 3.12Å; Y148-P251 VanDerWaalsContact CD2-CD 3.44Å; Y148-P251 HydrophobicContact CD2-CG 3.79Å; Y148-P251 HydrophobicContact CE2-CG 4.36Å; Y148-P251 HydrophobicContact CG-CG 4.1Å
149V98.5Very high95.3Very high0 Ų045.9 Ų45.90%026%0.255CS..EExtended strand (participates in β ladder)trans-135.8149.8174.5-61.90000108.1V142 A146 Y158 H159 Q160 E227 A243 S246V142-V149 HydrophobicContact CG1-CG1 3.57Å; A146-V149 HydrophobicContact CB-CG1 3.94Å; V149-Y158 HydrophobicContact CB-CD1 4.29Å; V149-Y158 HydrophobicContact CG2-CD1 3.83Å; V149-H159 CarbonylContact C-O 3.47Å; V149-H159 WeakPolarHBondContact CA-O 3.34Å; V149-H159 WeakPolarHBondContact CB-O 3.38Å; V149-Q160 HydrophobicContact CG1-CB 4.4Å; V149-E227 HydrophobicContact CG2-CB 4.25Å; V149-E227 HydrophobicContact CG2-CG 3.48Å; V149-E227 VanDerWaalsContact CG2-CG 3.48Å; V149-A243 HydrophobicContact CG2-CB 4.27Å; V149-S246 WeakPolarHBondContact O-CB 3.29Å; V149-S246 PolarHBondContact O-OG 3.08Å
150C97.6Very high95.4Very high33 Ų3342.5 Ų42.522%0.22324%0.242CC..EExtended strand (participates in β ladder)trans-135.6149178.3-63.80000110.1Y148 P152 H159 V161Y148-C150 WeakPolarHBondContact CE1-SG 3.16Å; C150-P152 WeakPolarHBondContact O-CD 3.37Å; C150-H159 PolarHBondContact N-O 3.13Å; C150-H159 PolarHBondContact O-N 2.68Å; C150-V161 HydrophobicContact CB-CG2 3.87Å
151C95.2Very high95.5Very high47 Ų4740.3 Ų40.332%0.31823%0.232SC..  trans-94.8117.5170.2-161.20000109.8S155 Y158C151-S155 PolarHBondContact SG-O 2.93Å; C151-Y158 HydrophobicContact CB-CD1 4.11Å; C151-Y158 HydrophobicContact CB-CD2 3.79Å; C151-Y158 HydrophobicContact CB-CE1 3.9Å; C151-Y158 HydrophobicContact CB-CE2 3.53Å; C151-Y158 HydrophobicContact CB-CG 4.05Å
152P92.1Very high95.6Very high36 Ų3640.5 Ų40.523%0.23423%0.232CC..  trans-58.2148168.6-2131.4000111.4C150 D154 S155 H159C150-P152 WeakPolarHBondContact O-CD 3.37Å; P152-D154 VanDerWaalsContact CB-OD1 3.22Å; P152-D154 WeakPolarHBondContact CB-OD1 3.21Å; P152-D154 PolarHBondContact O-N 3.16Å; P152-D154 VanDerWaalsContact O-N 3.11Å; P152-S155 PolarHBondContact O-N 2.73Å; P152-S155 VanDerWaalsContact O-N 3.08Å; P152-H159 WeakPolarHBondContact CG-ND1 3.21Å
153S88.4Confident95.6Very high133 Ų13342.2 Ų42.293%0.9324%0.238SC*.THydrogen-bonded Turntrans-62.2-20.9-178.653.20000114.5
154D88.3Confident95.5Very high148 Ų14844 Ų4479%0.79125%0.248SC*.THydrogen-bonded Turntrans-101.67.3-179.664-24.8000113.4P152P152-D154 VanDerWaalsContact CB-OD1 3.22Å; P152-D154 WeakPolarHBondContact CB-OD1 3.21Å; P152-D154 PolarHBondContact O-N 3.16Å; P152-D154 VanDerWaalsContact O-N 3.11Å
155S90.1Very high95.4Very high39 Ų3944.3 Ų44.327%0.27325%0.25SS..  trans-127.6160.4-177.3-175.50000111.4C151 P152 I157C151-S155 PolarHBondContact SG-O 2.93Å; P152-S155 PolarHBondContact O-N 2.73Å; P152-S155 VanDerWaalsContact O-N 3.08Å; S155-I157 PolarHBondContact OG-N 3.25Å; S155-I157 PolarHBondContact OG-O 3.48Å; S155-I157 VanDerWaalsContact OG-O 3.13Å
156I87.4Confident95.1Very high155 Ų15550 Ų5080%0.79529%0.288SS*.SBendtrans-106.8-7.7164.961.4170.1000112.1
157I94Very high94.9Very high66 Ų6658.1 Ų58.134%0.33833%0.326SS..SBendtrans-99.9127.1-176.7-58.2176.4000108.4S155 H159 A282 D283S155-I157 PolarHBondContact OG-N 3.25Å; S155-I157 PolarHBondContact OG-O 3.48Å; S155-I157 VanDerWaalsContact OG-O 3.13Å; I157-H159 PolarHBondContact O-CD2 3.2Å; I157-A282 HydrophobicContact CD1-CB 4.01Å; I157-A282 HydrophobicContact CG1-CB 4.3Å; I157-A282 HydrophobicContact CG2-CB 3.84Å; I157-D283 HydrophobicContact CG2-CB 4.14Å
158Y96.9Very high94.7Very high13 Ų1361.9 Ų61.95%0.05134%0.339CS..  trans-72.7146.1176.1-81.1-114.2000112.4K129 V149 C151 E227 A229 R247 D283K129-Y158 PolarHBondContact NZ-O 3.46Å; V149-Y158 HydrophobicContact CB-CD1 4.29Å; V149-Y158 HydrophobicContact CG2-CD1 3.83Å; C151-Y158 HydrophobicContact CB-CD1 4.11Å; C151-Y158 HydrophobicContact CB-CD2 3.79Å; C151-Y158 HydrophobicContact CB-CE1 3.9Å; C151-Y158 HydrophobicContact CB-CE2 3.53Å; C151-Y158 HydrophobicContact CB-CG 4.05Å; Y158-E227 HydrophobicContact CE1-CG 4.41Å; Y158-E227 WeakPolarHBondContact CE1-OE2 3.42Å; Y158-A229 HydrophobicContact CD2-CB 3.98Å; Y158-A229 HydrophobicContact CE2-CB 3.91Å; Y158-R247 PolarHBondContact OH-NH1 3.26Å; Y158-R247 PolarHBondContact OH-NH2 3.47Å; Y158-D283 PolarHBondContact N-OD2 2.97Å; Y158-D283 VanDerWaalsContact N-OD2 3.12Å
159H96.8Very high94.7Very high47 Ų4762.6 Ų62.622%0.21834%0.342CS..EExtended strand (participates in β ladder)trans-113.8138.2-179.2-71-174.1000109.9V127 V149 C150 P152 I157 V161V127-H159 HydrophobicContact CG1-CB 3.73Å; V149-H159 CarbonylContact C-O 3.47Å; V149-H159 WeakPolarHBondContact CA-O 3.34Å; V149-H159 WeakPolarHBondContact CB-O 3.38Å; C150-H159 PolarHBondContact N-O 3.13Å; C150-H159 PolarHBondContact O-N 2.68Å; P152-H159 WeakPolarHBondContact CG-ND1 3.21Å; I157-H159 PolarHBondContact O-CD2 3.2Å; H159-V161 PolarHBondContact O-N 2.77Å
160Q97.9Very high94.6Very high9 Ų969.3 Ų69.34%0.04237%0.373CS..EExtended strand (participates in β ladder)trans-71.3128.3172.2-176.7172-8.600109.3M64 V127 L128 V142 S143 A146 V149M64-Q160 VanDerWaalsContact CE-NE2 3.31Å; M64-Q160 PolarHBondContact SD-NE2 2.86Å; M64-Q160 VanDerWaalsContact SD-NE2 3.36Å; V127-Q160 CarbonylContact C-O 3.56Å; V127-Q160 WeakPolarHBondContact CA-O 3.34Å; L128-Q160 HydrophobicContact CB-CB 4.48Å; L128-Q160 PolarHBondContact N-O 2.89Å; L128-Q160 WeakPolarHBondContact O-CB 3.29Å; V142-Q160 HydrophobicContact CG1-CB 4.19Å; V142-Q160 HydrophobicContact CG2-CB 4.42Å; S143-Q160 VanDerWaalsContact CB-OE1 3.31Å; A146-Q160 HydrophobicContact CB-CG 3.89Å; V149-Q160 HydrophobicContact CG1-CB 4.4Å
161V98Very high94.7Very high20 Ų2069.9 Ų69.912%0.12137%0.372CS..EExtended strand (participates in β ladder)trans-110.1126.4178179.90000107.9Y148 C150 H159 Y163Y148-V161 HydrophobicContact CD1-CB 3.85Å; Y148-V161 HydrophobicContact CD1-CG1 4.03Å; Y148-V161 PolarHBondContact O-N 3.18Å; C150-V161 HydrophobicContact CB-CG2 3.87Å; H159-V161 PolarHBondContact O-N 2.77Å; V161-Y163 PolarHBondContact O-N 3.37Å
162F98.2Very high94.8Very high9 Ų975 Ų754%0.03939%0.389CS..  trans-69.599.6179.2-168.5-113000110.8M64 V66 V72 I122 H124 G125 S126 L128 N164M64-F162 HydrophobicContact CB-CE2 4.05Å; M64-F162 HydrophobicContact SD-CD2 4.41Å; V66-F162 HydrophobicContact CG2-CE1 4.28Å; V66-F162 HydrophobicContact CG2-CZ 3.62Å; V72-F162 HydrophobicContact CG1-CE2 4.49Å; V72-F162 HydrophobicContact CG2-CZ 4.15Å; I122-F162 HydrophobicContact CB-CD1 3.91Å; I122-F162 HydrophobicContact CB-CE1 3.92Å; I122-F162 HydrophobicContact CB-CG 4.28Å; I122-F162 HydrophobicContact CB-CZ 4.3Å; I122-F162 HydrophobicContact CG2-CB 3.85Å; I122-F162 HydrophobicContact CG2-CD1 3.54Å; I122-F162 HydrophobicContact CG2-CD2 4.17Å; I122-F162 HydrophobicContact CG2-CE1 4.09Å; I122-F162 HydrophobicContact CG2-CG 3.58Å; I122-F162 WeakPolarHBondContact O-CD1 3.31Å; I122-F162 VanDerWaalsContact O-CE1 3.25Å; I122-F162 WeakPolarHBondContact O-CE1 3.48Å; H124-F162 PolarHBondContact ND1-O 3.4Å; G125-F162 PolarHBondContact N-O 2.97Å; S126-F162 PolarHBondContact O-N 3.37Å; L128-F162 HydrophobicContact CD1-CB 3.81Å; L128-F162 HydrophobicContact CD1-CD2 3.85Å; L128-F162 HydrophobicContact CD1-CG 4.15Å; L128-F162 HydrophobicContact CG-CB 4.36Å; F162-N164 HydrophobicContact CD1-CB 4.12Å; F162-N164 HydrophobicContact CE1-CB 3.66Å; F162-N164 HydrophobicContact CZ-CB 4.2Å; F162-N164 PolarHBondContact O-N 2.99Å
163Y97.7Very high95.1Very high41 Ų4177.6 Ų77.616%0.16139%0.394CS..  trans-90.694.2-177.8-161.3-95.6000111.2H124 Y148 V161 P165 P250 P251 D252H124-Y163 AromaticContact CE1-CD2 3.7Å; H124-Y163 AromaticContact CE1-CE2 3.9Å; Y148-Y163 AromaticContact CD1-CD2 3.82Å; Y148-Y163 HydrophobicContact CD1-CD2 3.82Å; Y148-Y163 HydrophobicContact CE1-CD2 4.38Å; Y148-Y163 HydrophobicContact CG-CD2 4.18Å; V161-Y163 PolarHBondContact O-N 3.37Å; Y163-P165 HydrophobicContact CD1-CG 4.34Å; Y163-P165 HydrophobicContact CE1-CG 3.7Å; Y163-P250 HydrophobicContact CE2-CB 3.84Å; Y163-P251 HydrophobicContact CD1-CB 4.13Å; Y163-P251 HydrophobicContact CD1-CG 3.89Å; Y163-P251 HydrophobicContact CD2-CG 4.06Å; Y163-P251 HydrophobicContact CE1-CB 3.69Å; Y163-P251 HydrophobicContact CE1-CG 3.85Å; Y163-P251 HydrophobicContact CE2-CB 4.5Å; Y163-P251 VanDerWaalsContact CE2-CD 3.49Å; Y163-P251 HydrophobicContact CE2-CG 4.03Å; Y163-P251 HydrophobicContact CG-CG 4Å; Y163-D252 WeakPolarHBondContact OH-CB 3.34Å; Y163-D252 PolarHBondContact OH-N 3.11Å; Y163-D252 PolarHBondContact OH-OD2 2.8Å
164N96.6Very high95.5Very high39 Ų3975.3 Ų75.321%0.20938%0.384CS..  trans-141.465.1175.3-176.350.6000109.4V66 H124 F162V66-N164 HydrophobicContact CG2-CB 4.41Å; H124-N164 WeakPolarHBondContact CB-O 3.48Å; H124-N164 PolarHBondContact ND1-N 2.95Å; H124-N164 VanDerWaalsContact ND1-N 3.17Å; F162-N164 HydrophobicContact CD1-CB 4.12Å; F162-N164 HydrophobicContact CE1-CB 3.66Å; F162-N164 HydrophobicContact CZ-CB 4.2Å; F162-N164 PolarHBondContact O-N 2.99Å
165P96.1Very high95.9Very high15 Ų1572.5 Ų72.510%0.09736%0.362CS..  trans-59.7147.2-17627.9-35.9000110.5Y163 E167 K168 D252Y163-P165 HydrophobicContact CD1-CG 4.34Å; Y163-P165 HydrophobicContact CE1-CG 3.7Å; P165-E167 PolarHBondContact O-N 3.14Å; P165-K168 HydrophobicContact CG-CG 4.33Å; P165-D252 WeakPolarHBondContact CG-OD2 3.4Å
166P92.8Very high96.3Very high129 Ų12971.4 Ų71.484%0.83835%0.354SS*.SBendtrans-63.3-32.3-179.925.7-33.9000112.3
167E93.9Very high96.6Very high172 Ų17268.4 Ų68.480%0.80435%0.347SS*.SBendtrans-118.4117.5172.8-66.5-176.2-179.200108.6P165P165-E167 PolarHBondContact O-N 3.14Å
168K93.6Very high96.5Very high122 Ų12269.6 Ų69.653%0.5335%0.351SS..  trans-87.7142.4175.6-64.4-176.1178.8-172.90109.9P165 Q170P165-K168 HydrophobicContact CG-CG 4.33Å; K168-Q170 PolarHBondContact O-N 3.11Å
169Y97.9Very high96.5Very high41 Ų4169.9 Ų69.916%0.16136%0.355CS..  trans-56.1136.2171.9-169.2-94.5000111F171 K255 Y256 D259Y169-F171 HydrophobicContact CE1-CD1 4.31Å; Y169-F171 HydrophobicContact CE1-CG 4.37Å; Y169-K255 HydrophobicContact CD1-CB 3.57Å; Y169-K255 HydrophobicContact CD1-CD 4.39Å; Y169-K255 HydrophobicContact CE1-CB 4.2Å; Y169-K255 HydrophobicContact CG-CB 4.01Å; Y169-Y256 AromaticContact CE2-CD2 3.95Å; Y169-Y256 HydrophobicContact CE2-CD2 3.95Å; Y169-Y256 HydrophobicContact CE2-CG 4.45Å; Y169-D259 HydrophobicContact CE1-CB 3.95Å; Y169-D259 WeakPolarHBondContact CE1-OD2 3.26Å; Y169-D259 PolarHBondContact OH-OD2 3.03Å
170Q98Very high96.4Very high141 Ų14175 Ų7566%0.65937%0.372SS*.  trans-113.5118174.9-61.2-63.1-42.700108K168 K172K168-Q170 PolarHBondContact O-N 3.11Å; Q170-K172 PolarHBondContact O-N 3.34Å
171F98.3Very high96.4Very high46 Ų4674.6 Ų74.620%0.20237%0.37CS..  trans-59.4135.2174-76.3-87.2000110.5Y169 K255 V258 D259 Y334 H335Y169-F171 HydrophobicContact CE1-CD1 4.31Å; Y169-F171 HydrophobicContact CE1-CG 4.37Å; F171-K255 HydrophobicContact CE1-CB 4.26Å; F171-K255 WeakPolarHBondContact CE1-O 3.31Å; F171-K255 HydrophobicContact CE2-CB 4.02Å; F171-K255 HydrophobicContact CE2-CD 4.13Å; F171-K255 HydrophobicContact CE2-CG 3.98Å; F171-K255 HydrophobicContact CZ-CB 3.62Å; F171-K255 HydrophobicContact CZ-CD 4.47Å; F171-K255 HydrophobicContact CZ-CG 3.83Å; F171-V258 HydrophobicContact CE1-CB 4.33Å; F171-V258 HydrophobicContact CE1-CG1 4.45Å; F171-D259 HydrophobicContact CD1-CB 3.62Å; F171-D259 HydrophobicContact CE1-CB 3.94Å; F171-Y334 WeakPolarHBondContact CZ-O 3.28Å; F171-H335 HydrophobicContact CD1-CB 4.19Å; F171-H335 AromaticContact CD1-CG 3.87Å; F171-H335 AromaticContact CD1-ND1 3.47Å; F171-H335 WeakPolarHBondContact CD1-ND1 3.32Å; F171-H335 AromaticContact CD2-CD2 3.69Å; F171-H335 AromaticContact CD2-CE1 3.32Å; F171-H335 WeakPolarHBondContact CD2-CE1 3.4Å; F171-H335 AromaticContact CD2-CG 3.77Å; F171-H335 AromaticContact CD2-ND1 3.54Å; F171-H335 AromaticContact CD2-NE2 3.43Å; F171-H335 WeakPolarHBondContact CD2-NE2 3.21Å; F171-H335 HydrophobicContact CE1-CB 3.69Å; F171-H335 AromaticContact CE1-CG 3.75Å; F171-H335 AromaticContact CE1-ND1 3.85Å; F171-H335 HydrophobicContact CE2-CB 4.24Å; F171-H335 AromaticContact CE2-CD2 3.49Å; F171-H335 VanDerWaalsContact CE2-CD2 3.49Å; F171-H335 WeakPolarHBondContact CE2-CD2 3.27Å; F171-H335 AromaticContact CE2-CE1 3.94Å; F171-H335 AromaticContact CE2-CG 3.62Å; F171-H335 AromaticContact CE2-ND1 3.9Å; F171-H335 AromaticContact CE2-NE2 3.72Å; F171-H335 AromaticContact CG-CE1 3.37Å; F171-H335 WeakPolarHBondContact CG-CE1 3.15Å; F171-H335 AromaticContact CG-CG 3.89Å; F171-H335 AromaticContact CG-ND1 3.31Å; F171-H335 VanDerWaalsContact CG-ND1 3.31Å; F171-H335 WeakPolarHBondContact CG-ND1 3.31Å; F171-H335 AromaticContact CG-NE2 3.97Å; F171-H335 HydrophobicContact CZ-CB 3.72Å; F171-H335 AromaticContact CZ-CD2 3.91Å; F171-H335 AromaticContact CZ-CG 3.62Å
172K98.5Very high96.4Very high155 Ų15573.7 Ų73.767%0.67437%0.365SS*.  trans-105.7-27.5-175.6-61.3175.9-172.3171.40112Q170 D259Q170-K172 PolarHBondContact O-N 3.34Å; K172-D259 PolarHBondContact N-OD1 3.05Å; K172-D259 PolarHBondContact N-OD2 3.4Å
173Y98.3Very high96.5Very high89 Ų8973.9 Ų73.935%0.34937%0.365SS..SBendtrans-108.5144.2-175.5-55.7-77.6000110.3D259 E263Y173-D259 VanDerWaalsContact CD2-O 3.29Å; Y173-D259 WeakPolarHBondContact CD2-O 3.41Å; Y173-D259 WeakPolarHBondContact CD2-OD1 3.43Å; Y173-D259 PolarHBondContact N-OD1 3.15Å; Y173-E263 HydrophobicContact CD1-CB 4.21Å; Y173-E263 HydrophobicContact CD1-CG 4.45Å; Y173-E263 HydrophobicContact CD2-CB 3.74Å; Y173-E263 HydrophobicContact CD2-CG 4.43Å; Y173-E263 HydrophobicContact CE1-CB 4.14Å; Y173-E263 HydrophobicContact CE1-CG 3.92Å; Y173-E263 HydrophobicContact CE2-CB 3.65Å; Y173-E263 HydrophobicContact CE2-CG 3.89Å; Y173-E263 HydrophobicContact CG-CB 4.03Å; Y173-E263 PolarHBondContact OH-OE1 2.92Å
174A96.8Very high96.5Very high85 Ų8571.9 Ų71.970%0.70236%0.358SS*.PPolyproline II helixtrans-75.9157.9172.800000109.8
175R97.3Very high96.7Very high89 Ų8970.1 Ų70.134%0.33635%0.348SS..PPolyproline II helixtrans-59.6134.3171.9-67.3169.7174.3-90.99.5110I331 H335 F336 D337R175-I331 PolarHBondContact NH2-O 3.19Å; R175-H335 PolarHBondContact NH1-O 2.78Å; R175-H335 VanDerWaalsContact NH2-C 3.33Å; R175-H335 VanDerWaalsContact NH2-CA 3.27Å; R175-F336 PolarHBondContact NH1-O 3.31Å; R175-F336 PolarHBondContact NH2-O 2.86Å; R175-F336 VanDerWaalsContact NH2-O 3.11Å; R175-D337 IonicContact CZ-OD1 3.86Å; R175-D337 IonicContact NH1-OD1 2.85Å; R175-D337 PolarHBondContact NH1-OD1 3.31Å
176P96.6Very high96.8Very high17 Ų1769.5 Ų69.511%0.1134%0.344CS..PPolyproline II helixtrans-56.7158.4170.8-2635.7000112H262 D265 I267P176-H262 WeakPolarHBondContact CD-CD2 3.2Å; P176-D265 VanDerWaalsContact CB-OD1 3.31Å; P176-D265 WeakPolarHBondContact CB-OD1 3.35Å; P176-I267 HydrophobicContact CB-CG2 3.67Å; P176-I267 HydrophobicContact CG-CG2 3.97Å
177S93.9Very high97.1Very high92 Ų9263.3 Ų63.364%0.64330%0.304SS*.PPolyproline II helixtrans-70.7150.5168.754.10000111.3P179S177-P179 WeakPolarHBondContact O-CD 3.46Å
178E93.4Very high97.3Very high90 Ų9055.1 Ų55.142%0.42127%0.265SS..PPolyproline II helixtrans-54.3120.4174.7-173.8-178.4164.500110.8I393E178-I393 HydrophobicContact CG-CD1 4.25Å
179P95.9Very high97.5Very high20 Ų2049.3 Ų49.313%0.1324%0.24CC..PPolyproline II helixtrans-65.3147.2178.5-19.631.1000111.8S177 A181 L182 N218 I267S177-P179 WeakPolarHBondContact O-CD 3.46Å; P179-A181 PolarHBondContact O-N 3.32Å; P179-L182 HydrophobicContact CB-CD2 4.39Å; P179-L182 HydrophobicContact CG-CD2 4.21Å; P179-N218 HydrophobicContact CB-CB 4.48Å; P179-N218 VanDerWaalsContact CB-ND2 3.34Å; P179-N218 WeakPolarHBondContact CB-ND2 3.29Å; P179-N218 HydrophobicContact CG-CB 4.33Å; P179-I267 HydrophobicContact CG-CD1 4.07Å; P179-I267 HydrophobicContact CG-CG1 4.22Å
180R95.5Very high97.6Very high153 Ų15347.4 Ų47.458%0.57723%0.233SC*.SBendtrans-58.4-35.9178.4-176.7177.3175.2173.4-0.2113.1H580 S583R180-H580 PolarHBondContact NH1-CD2 2.89Å; R180-S583 PolarHBondContact NE-OG 3.4Å; R180-S583 PolarHBondContact NH2-OG 2.99Å
181A97.6Very high97.6Very high2 Ų240.7 Ų40.72%0.01720%0.201CC..SBendtrans-145148169.500000108.8P179 N218 L582P179-A181 PolarHBondContact O-N 3.32Å; A181-N218 PolarHBondContact O-ND2 3.08Å; A181-L582 HydrophobicContact CB-CB 3.54Å; A181-L582 HydrophobicContact CB-CD1 4.16Å
182L98.7Very high97.6Very high1 Ų138.5 Ų38.51%0.00519%0.192CC..  trans-83.9129-179.3-56-177.6000110.4P179 I184 I267 I393 I395 Y418 I459 G519 W520P179-L182 HydrophobicContact CB-CD2 4.39Å; P179-L182 HydrophobicContact CG-CD2 4.21Å; L182-I184 HydrophobicContact CB-CD1 4.04Å; L182-I184 HydrophobicContact CB-CG1 3.77Å; L182-I184 HydrophobicContact CD1-CD1 4.13Å; L182-I267 HydrophobicContact CD2-CD1 3.98Å; L182-I393 HydrophobicContact CD1-CD1 4.41Å; L182-I393 HydrophobicContact CD1-CG2 3.9Å; L182-I393 HydrophobicContact CD2-CD1 3.87Å; L182-I395 HydrophobicContact CD1-CD1 4.48Å; L182-Y418 HydrophobicContact CD1-CD2 3.98Å; L182-Y418 HydrophobicContact CD1-CE2 3.64Å; L182-Y418 HydrophobicContact CG-CE2 4.23Å; L182-I459 HydrophobicContact CB-CD1 4.22Å; L182-I459 HydrophobicContact CD1-CD1 4.21Å; L182-G519 CarbonylContact O-C 3.58Å; L182-G519 VanDerWaalsContact O-CA 3.26Å; L182-G519 WeakPolarHBondContact O-CA 3.21Å; L182-W520 PolarHBondContact O-N 2.83Å
183R98.8Very high97.6Very high12 Ų1231.2 Ų31.25%0.04516%0.16CC..EExtended strand (participates in β ladder)trans-119.794.8166.3-62.8-179.3-59.2-86.3-1.3106.2G216 Y217 N218 T219 E576 E577 L582R183-G216 PolarHBondContact NE-O 3.02Å; R183-G216 PolarHBondContact NH2-O 2.62Å; R183-Y217 HydrophobicContact CB-CD1 4.23Å; R183-Y217 WeakPolarHBondContact O-CA 3.39Å; R183-Y217 WeakPolarHBondContact O-CB 3.48Å; R183-Y217 WeakPolarHBondContact O-CD1 3.23Å; R183-N218 VanDerWaalsContact CZ-ND2 3.35Å; R183-N218 PolarHBondContact N-OD1 3.34Å; R183-N218 PolarHBondContact NH2-ND2 2.73Å; R183-N218 PolarHBondContact O-N 3.04Å; R183-N218 VanDerWaalsContact O-N 3.07Å; R183-N218 PolarHBondContact O-OD1 2.69Å; R183-T219 PolarHBondContact O-N 3.19Å; R183-E576 WeakPolarHBondContact CD-OE2 3.37Å; R183-E576 IonicContact CZ-OE2 2.64Å; R183-E576 IonicContact NE-OE2 3.92Å; R183-E576 IonicContact NH1-OE2 3.55Å; R183-E576 PolarHBondContact NH1-OE2 2.92Å; R183-E577 IonicContact CZ-OE2 3.68Å; R183-E577 IonicContact NH1-OE2 3.91Å; R183-E577 PolarHBondContact NH1-OE2 2.95Å; R183-E577 IonicContact NH2-OE2 2.75Å; R183-E577 PolarHBondContact NH2-OE2 3.11Å; R183-L582 HydrophobicContact CG-CD1 4.16Å
184I98.9Very high97.5Very high0 Ų031 Ų310%017%0.165CC..EExtended strand (participates in β ladder)trans-94.6128.5-166.4-52.2-179.4000110.3L182 T219 Q221 L269 I395 I459 W520 L521 N522L182-I184 HydrophobicContact CB-CD1 4.04Å; L182-I184 HydrophobicContact CB-CG1 3.77Å; L182-I184 HydrophobicContact CD1-CD1 4.13Å; I184-T219 CarbonylContact C-O 3.44Å; I184-T219 WeakPolarHBondContact CA-O 3.44Å; I184-T219 HydrophobicContact CB-CG2 4.4Å; I184-T219 HydrophobicContact CG1-CG2 3.88Å; I184-T219 HydrophobicContact CG2-CG2 4.22Å; I184-Q221 HydrophobicContact CG2-CB 3.51Å; I184-L269 HydrophobicContact CD1-CD1 4.48Å; I184-I395 HydrophobicContact CD1-CD1 3.62Å; I184-I459 HydrophobicContact CD1-CD1 4.03Å; I184-I459 HydrophobicContact CD1-CG1 4.12Å; I184-I459 HydrophobicContact CD1-CG2 4.11Å; I184-W520 WeakPolarHBondContact CB-O 3.48Å; I184-W520 PolarHBondContact N-O 3.01Å; I184-L521 HydrophobicContact CB-CB 4.09Å; I184-L521 HydrophobicContact CB-CD1 4.42Å; I184-L521 HydrophobicContact CB-CG 4.25Å; I184-L521 HydrophobicContact CG2-CD1 4.08Å; I184-L521 HydrophobicContact CG2-CG 4.24Å; I184-L521 CarbonylContact O-C 3.56Å; I184-L521 VanDerWaalsContact O-CA 3.32Å; I184-L521 WeakPolarHBondContact O-CA 3.47Å; I184-N522 PolarHBondContact O-N 3Å
185Y98.9Very high97.5Very high2 Ų231.7 Ų31.71%0.00815%0.153CC..EExtended strand (participates in β ladder)trans-103.299.2168.7-160.4-91.7000109.6S187 I212 Y217 T219 I220 Q221 N522 M524 G525 E527 W552Y185-S187 VanDerWaalsContact CD1-OG 3.27Å; Y185-S187 WeakPolarHBondContact CD1-OG 3.47Å; Y185-S187 PolarHBondContact O-N 2.64Å; Y185-S187 PolarHBondContact O-OG 3.18Å; Y185-S187 VanDerWaalsContact O-OG 3.12Å; Y185-I212 HydrophobicContact CD1-CD1 3.4Å; Y185-I212 HydrophobicContact CD1-CG1 3.47Å; Y185-I212 VanDerWaalsContact CD1-CG1 3.47Å; Y185-I212 HydrophobicContact CD1-CG2 4.47Å; Y185-I212 HydrophobicContact CD2-CG1 4.4Å; Y185-I212 HydrophobicContact CE1-CD1 3.9Å; Y185-I212 HydrophobicContact CE1-CG1 3.75Å; Y185-I212 HydrophobicContact CG-CD1 4.06Å; Y185-I212 HydrophobicContact CG-CG1 3.82Å; Y185-I212 HydrophobicContact CG-CG2 4.07Å; Y185-Y217 HydrophobicContact CD2-CD1 4.22Å; Y185-Y217 AromaticContact CD2-CD2 3.55Å; Y185-Y217 HydrophobicContact CD2-CD2 3.55Å; Y185-Y217 HydrophobicContact CD2-CE1 4.12Å; Y185-Y217 AromaticContact CD2-CE2 3.45Å; Y185-Y217 HydrophobicContact CD2-CE2 3.45Å; Y185-Y217 VanDerWaalsContact CD2-CE2 3.45Å; Y185-Y217 AromaticContact CD2-CG 3.98Å; Y185-Y217 HydrophobicContact CD2-CG 3.98Å; Y185-Y217 AromaticContact CD2-CZ 3.77Å; Y185-Y217 HydrophobicContact CE2-CD2 4.34Å; Y185-Y217 AromaticContact CE2-CE2 3.97Å; Y185-Y217 HydrophobicContact CE2-CE2 3.97Å; Y185-Y217 HydrophobicContact CG-CD2 4.29Å; Y185-Y217 HydrophobicContact CG-CG 4.37Å; Y185-T219 PolarHBondContact N-O 2.92Å; Y185-I220 WeakPolarHBondContact O-CA 3.42Å; Y185-Q221 PolarHBondContact O-N 2.8Å; Y185-Q221 VanDerWaalsContact O-N 3.11Å; Y185-N522 CarbonylContact C-O 3.47Å; Y185-N522 WeakPolarHBondContact CA-O 3.22Å; Y185-N522 WeakPolarHBondContact CE2-ND2 3.31Å; Y185-M524 HydrophobicContact CD1-CB 4.46Å; Y185-M524 HydrophobicContact CE1-CB 3.52Å; Y185-M524 WeakPolarHBondContact OH-CA 3.43Å; Y185-G525 PolarHBondContact OH-N 2.98Å; Y185-E527 HydrophobicContact CE2-CG 4.33Å; Y185-E527 WeakPolarHBondContact CE2-OE2 3.28Å; Y185-E527 PolarHBondContact OH-OE1 2.94Å; Y185-E527 PolarHBondContact OH-OE2 3.17Å; Y185-E527 VanDerWaalsContact OH-OE2 3.11Å; Y185-W552 WeakPolarHBondContact OH-CH2 3.41Å
186E98.9Very high97.4Very high1 Ų129.6 Ų29.61%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-72.5125.2179.2-175.5-170.6-134.800110.4Q221 M223 R340 H465 L521 N522 F523 M524E186-Q221 HydrophobicContact CB-CB 4.27Å; E186-Q221 HydrophobicContact CG-CB 4.36Å; E186-Q221 HydrophobicContact CG-CG 4.36Å; E186-M223 HydrophobicContact CG-CG 4Å; E186-M223 HydrophobicContact CG-SD 3.59Å; E186-M223 VanDerWaalsContact CG-SD 3.59Å; E186-R340 IonicContact OE1-CZ 3.58Å; E186-R340 IonicContact OE1-NH1 3.81Å; E186-R340 PolarHBondContact OE1-NH1 3.35Å; E186-R340 IonicContact OE1-NH2 3.56Å; E186-R340 PolarHBondContact OE1-NH2 3.27Å; E186-H465 IonicContact OE1-CE1 3.15Å; E186-H465 IonicContact OE1-CG 3.94Å; E186-H465 IonicContact OE1-ND1 2.71Å; E186-H465 PolarHBondContact OE1-ND1 3.01Å; E186-H465 IonicContact OE2-CG 3.06Å; E186-H465 PolarHBondContact OE2-N 2.59Å; E186-H465 IonicContact OE2-ND1 2.75Å; E186-H465 PolarHBondContact OE2-ND1 2.87Å; E186-L521 HydrophobicContact CB-CD1 4.17Å; E186-L521 HydrophobicContact CB-CD2 4Å; E186-L521 HydrophobicContact CB-CG 4.07Å; E186-N522 PolarHBondContact N-O 3.2Å; E186-F523 HydrophobicContact CB-CD2 4.16Å; E186-F523 HydrophobicContact CG-CD2 3.91Å; E186-F523 WeakPolarHBondContact O-CD2 3.34Å; E186-F523 WeakPolarHBondContact OE2-CB 3.39Å; E186-F523 WeakPolarHBondContact OE2-CD2 3.4Å; E186-M524 PolarHBondContact O-N 2.88Å
187S98.8Very high97.4Very high0 Ų033.2 Ų33.20%017%0.174CC..EExtended strand (participates in β ladder)trans-139.1144.5-162.3-63.80000112.6Y185 Q221 M223Y185-S187 VanDerWaalsContact CD1-OG 3.27Å; Y185-S187 WeakPolarHBondContact CD1-OG 3.47Å; Y185-S187 PolarHBondContact O-N 2.64Å; Y185-S187 PolarHBondContact O-OG 3.18Å; Y185-S187 VanDerWaalsContact O-OG 3.12Å; S187-Q221 PolarHBondContact N-O 2.85Å; S187-M223 WeakPolarHBondContact O-CB 3.27Å; S187-M223 WeakPolarHBondContact O-CG 3.29Å; S187-M223 PolarHBondContact O-N 3.26Å
188H98.7Very high97.6Very high0 Ų030.6 Ų30.60%015%0.154CC..EExtended strand (participates in β ladder)trans-127.6119.5169.2177.3-62.6000110.2G190 I191 A224 Y231 F234 Y248H188-G190 PolarHBondContact CE1-N 3.18Å; H188-G190 VanDerWaalsContact CE1-N 3.35Å; H188-G190 PolarHBondContact ND1-N 3.24Å; H188-G190 PolarHBondContact O-N 3.37Å; H188-I191 HydrophobicContact CB-CD1 4.01Å; H188-I191 HydrophobicContact CB-CG1 3.92Å; H188-I191 PolarHBondContact ND1-N 3.44Å; H188-I191 WeakPolarHBondContact O-CG1 3.49Å; H188-I191 PolarHBondContact O-N 3.31Å; H188-A224 WeakPolarHBondContact CD2-CB 3.22Å; H188-A224 WeakPolarHBondContact NE2-CB 3.45Å; H188-Y231 AromaticContact CE1-CE2 3.57Å; H188-Y231 AromaticContact CE1-CZ 3.94Å; H188-Y231 PolarHBondContact CE1-OH 2.76Å; H188-Y231 AromaticContact NE2-CE2 3.79Å; H188-F234 HydrophobicContact CB-CE2 3.73Å; H188-F234 AromaticContact CD2-CD2 3.34Å; H188-F234 WeakPolarHBondContact CD2-CD2 3.31Å; H188-F234 AromaticContact CD2-CE2 3.3Å; H188-F234 WeakPolarHBondContact CD2-CE2 3.46Å; H188-F234 AromaticContact CG-CE2 3.63Å; H188-F234 AromaticContact NE2-CD2 3.99Å; H188-Y248 AromaticContact CE1-CZ 3.92Å; H188-Y248 PolarHBondContact CE1-OH 3.1Å; H188-Y248 VanDerWaalsContact CE1-OH 3.3Å; H188-Y248 PolarHBondContact NE2-OH 3.4Å
189V98.8Very high97.8Very high0 Ų026.4 Ų26.40%013%0.134CC..G310 helixtrans-58.3-50.4-172.9177.70000112.1I191 S192 A199 D200 Y201 F204 L222 Y248 L257V189-I191 PolarHBondContact O-N 3.24Å; V189-I191 VanDerWaalsContact O-N 3.09Å; V189-S192 WeakPolarHBondContact O-CB 3.21Å; V189-S192 PolarHBondContact O-N 2.83Å; V189-S192 VanDerWaalsContact O-N 3.08Å; V189-S192 PolarHBondContact O-OG 3.24Å; V189-A199 WeakPolarHBondContact O-CB 3.47Å; V189-D200 WeakPolarHBondContact CG1-O 3.39Å; V189-Y201 HydrophobicContact CB-CD1 4.32Å; V189-Y201 HydrophobicContact CB-CE1 4.45Å; V189-Y201 HydrophobicContact CG1-CD1 3.83Å; V189-Y201 HydrophobicContact CG1-CE1 4.36Å; V189-Y201 HydrophobicContact CG1-CG 4.49Å; V189-Y201 HydrophobicContact CG2-CD1 3.88Å; V189-Y201 HydrophobicContact CG2-CE1 4Å; V189-F204 HydrophobicContact CG1-CB 4.11Å; V189-F204 HydrophobicContact CG2-CB 4.45Å; V189-F204 HydrophobicContact CG2-CD2 4.3Å; V189-F204 HydrophobicContact CG2-CG 4.26Å; V189-L222 HydrophobicContact CG2-CD1 3.8Å; V189-L222 HydrophobicContact CG2-CG 4.44Å; V189-Y248 HydrophobicContact CB-CD1 4.33Å; V189-Y248 HydrophobicContact CB-CD2 4.13Å; V189-Y248 HydrophobicContact CB-CE2 4.47Å; V189-Y248 HydrophobicContact CB-CG 4.04Å; V189-Y248 HydrophobicContact CG1-CD1 4.2Å; V189-Y248 HydrophobicContact CG1-CD2 4.32Å; V189-Y248 HydrophobicContact CG1-CG 3.83Å; V189-L257 HydrophobicContact CG2-CD1 4.07Å
190G98.3Very high97.9Very high0 Ų028.9 Ų28.90%015%0.146CC..G310 helixtrans-62.6-21.4-173.400000116.3H188 V198 A199 Y231H188-G190 PolarHBondContact CE1-N 3.18Å; H188-G190 VanDerWaalsContact CE1-N 3.35Å; H188-G190 PolarHBondContact ND1-N 3.24Å; H188-G190 PolarHBondContact O-N 3.37Å; G190-V198 WeakPolarHBondContact O-CA 3.48Å; G190-A199 PolarHBondContact O-N 2.64Å; G190-Y231 VanDerWaalsContact C-OH 3.31Å; G190-Y231 WeakPolarHBondContact CA-OH 3.23Å
191I98Very high98.1Very high0 Ų021.6 Ų21.60%012%0.119CC..G310 helixtrans-102.55.9-178.969.3174.6000112H188 V189 S193 F523 M524 L534 F536 C548 R549 R550H188-I191 HydrophobicContact CB-CD1 4.01Å; H188-I191 HydrophobicContact CB-CG1 3.92Å; H188-I191 PolarHBondContact ND1-N 3.44Å; H188-I191 WeakPolarHBondContact O-CG1 3.49Å; H188-I191 PolarHBondContact O-N 3.31Å; V189-I191 PolarHBondContact O-N 3.24Å; V189-I191 VanDerWaalsContact O-N 3.09Å; I191-S193 VanDerWaalsContact C-N 3.28Å; I191-S193 PolarHBondContact O-N 3.43Å; I191-F523 HydrophobicContact CD1-CZ 4.02Å; I191-M524 HydrophobicContact CD1-SD 3.94Å; I191-M524 HydrophobicContact CG1-SD 3.72Å; I191-L534 HydrophobicContact CB-CD1 4.37Å; I191-L534 HydrophobicContact CD1-CD1 3.71Å; I191-L534 HydrophobicContact CD1-CD2 3.64Å; I191-L534 HydrophobicContact CD1-CG 4.36Å; I191-L534 HydrophobicContact CG2-CD1 4.18Å; I191-F536 HydrophobicContact CG2-CE1 3.91Å; I191-F536 HydrophobicContact CG2-CZ 3.96Å; I191-C548 VanDerWaalsContact CG2-SG 3.53Å; I191-R549 CarbonylContact O-C 3.59Å; I191-R549 VanDerWaalsContact O-C 3.23Å; I191-R549 WeakPolarHBondContact O-CA 3.39Å; I191-R550 WeakPolarHBondContact O-CG 3.13Å; I191-R550 PolarHBondContact O-N 3.36Å; I191-R550 VanDerWaalsContact O-N 3.08Å
192S98.5Very high98.1Very high0 Ų026.2 Ų26.20%014%0.136CC..  trans-84.14.5-164.370.90000115.1V189 W552V189-S192 WeakPolarHBondContact O-CB 3.21Å; V189-S192 PolarHBondContact O-N 2.83Å; V189-S192 VanDerWaalsContact O-N 3.08Å; V189-S192 PolarHBondContact O-OG 3.24Å; S192-W552 PolarHBondContact O-NE1 3.24Å
193S97.9Very high98.1Very high3 Ų328.6 Ų28.62%0.02115%0.147CC..SBendtrans-109.5166.3176.984.20000112I191 E195 H203 R549 R550I191-S193 VanDerWaalsContact C-N 3.28Å; I191-S193 PolarHBondContact O-N 3.43Å; S193-E195 PolarHBondContact O-N 3.4Å; S193-E195 PolarHBondContact OG-N 2.96Å; S193-E195 VanDerWaalsContact OG-N 3.16Å; S193-E195 PolarHBondContact OG-O 3.34Å; S193-H203 WeakPolarHBondContact CB-NE2 3.33Å; S193-R549 WeakPolarHBondContact O-CB 3.22Å; S193-R550 CarbonylContact C-O 3.53Å; S193-R550 PolarHBondContact O-N 3.2Å
194I97.6Very high98.1Very high85 Ų8528 Ų2844%0.43615%0.145SC..SBendtrans-71.8-18.917160.8169000113.1R549 R550 W552I194-R549 VanDerWaalsContact O-CD 3.28Å; I194-R549 WeakPolarHBondContact O-CD 3Å; I194-R550 VanDerWaalsContact CA-O 3.27Å; I194-R550 WeakPolarHBondContact CA-O 3.45Å; I194-R550 WeakPolarHBondContact CG2-O 3.17Å; I194-R550 PolarHBondContact N-O 2.81Å; I194-W552 HydrophobicContact CG2-CB 3.93Å; I194-W552 HydrophobicContact CG2-CG 4.32Å
195E96.7Very high98.1Very high98 Ų9828 Ų2846%0.45815%0.145SC..SBendtrans-82.2141.8-175.8-64.9179.8-107.700109.8S193 K197S193-E195 PolarHBondContact O-N 3.4Å; S193-E195 PolarHBondContact OG-N 2.96Å; S193-E195 VanDerWaalsContact OG-N 3.16Å; S193-E195 PolarHBondContact OG-O 3.34Å; E195-K197 HydrophobicContact CB-CD 4.07Å; E195-K197 HydrophobicContact CB-CG 3.88Å; E195-K197 VanDerWaalsContact CD-CE 3.4Å; E195-K197 PolarHBondContact O-N 2.92Å; E195-K197 VanDerWaalsContact OE1-CE 3.31Å; E195-K197 WeakPolarHBondContact OE1-CE 3.48Å; E195-K197 IonicContact OE1-NZ 3.74Å; E195-K197 PolarHBondContact OE1-NZ 3.2Å; E195-K197 VanDerWaalsContact OE2-CE 3.27Å; E195-K197 WeakPolarHBondContact OE2-CE 3.26Å; E195-K197 IonicContact OE2-NZ 3.71Å; E195-K197 PolarHBondContact OE2-NZ 3.3Å
196G94.6Very high98.1Very high46 Ų4631.6 Ų31.647%0.47416%0.164SC..SBendtrans-74.76417100000111.3Y545G196-Y545 VanDerWaalsContact C-CB 3.44Å; G196-Y545 WeakPolarHBondContact CA-O 3.44Å; G196-Y545 WeakPolarHBondContact O-CB 3.33Å
197K96.2Very high98.1Very high93 Ų9335.2 Ų35.240%0.40418%0.184SC..SBendtrans-150.1166.5176.973.6-175-176.1-164.10109.6E195 A199E195-K197 HydrophobicContact CB-CD 4.07Å; E195-K197 HydrophobicContact CB-CG 3.88Å; E195-K197 VanDerWaalsContact CD-CE 3.4Å; E195-K197 PolarHBondContact O-N 2.92Å; E195-K197 VanDerWaalsContact OE1-CE 3.31Å; E195-K197 WeakPolarHBondContact OE1-CE 3.48Å; E195-K197 IonicContact OE1-NZ 3.74Å; E195-K197 PolarHBondContact OE1-NZ 3.2Å; E195-K197 VanDerWaalsContact OE2-CE 3.27Å; E195-K197 WeakPolarHBondContact OE2-CE 3.26Å; E195-K197 IonicContact OE2-NZ 3.71Å; E195-K197 PolarHBondContact OE2-NZ 3.3Å; K197-A199 PolarHBondContact O-N 3.48Å
198V97.8Very high98.1Very high37 Ų3735.2 Ų35.222%0.22418%0.184CC..  trans-68.1115169.6-176.10000109.5G190 Y231 R247 Y248 Y545G190-V198 WeakPolarHBondContact O-CA 3.48Å; V198-Y231 HydrophobicContact CG2-CD1 4.46Å; V198-Y231 HydrophobicContact CG2-CE1 3.87Å; V198-R247 HydrophobicContact CG1-CB 4.04Å; V198-R247 WeakPolarHBondContact CG1-O 3.28Å; V198-Y248 HydrophobicContact CG1-CD1 3.64Å; V198-Y248 HydrophobicContact CG1-CE1 3.88Å; V198-Y545 HydrophobicContact CG2-CE1 3.65Å
199A98.5Very high98.1Very high2 Ų235.2 Ų35.22%0.01718%0.184CC..  trans-77.2153.7171.600000111.8V189 G190 K197V189-A199 WeakPolarHBondContact O-CB 3.47Å; G190-A199 PolarHBondContact O-N 2.64Å; K197-A199 PolarHBondContact O-N 3.48Å
200D98.5Very high98.1Very high71 Ų7137.3 Ų37.338%0.3820%0.197SC..  trans-100.5166.7-175.363.765.8000113.4V189 R202 H203 F204 Y248V189-D200 WeakPolarHBondContact CG1-O 3.39Å; D200-R202 VanDerWaalsContact C-N 3.3Å; D200-R202 PolarHBondContact O-N 2.86Å; D200-R202 WeakPolarHBondContact OD1-CA 3.37Å; D200-R202 WeakPolarHBondContact OD1-CB 3.35Å; D200-R202 PolarHBondContact OD1-N 3.06Å; D200-R202 VanDerWaalsContact OD1-N 3.08Å; D200-H203 WeakPolarHBondContact O-CB 3.32Å; D200-H203 PolarHBondContact O-N 2.88Å; D200-H203 WeakPolarHBondContact OD1-CB 3.24Å; D200-H203 PolarHBondContact OD1-N 2.94Å; D200-F204 PolarHBondContact O-N 3.43Å; D200-F204 VanDerWaalsContact O-N 3.1Å; D200-Y248 CarbonylContact C-O 3.45Å; D200-Y248 VanDerWaalsContact CA-O 3.28Å; D200-Y248 WeakPolarHBondContact CA-O 3.37Å; D200-Y248 VanDerWaalsContact CB-O 3.23Å; D200-Y248 WeakPolarHBondContact CB-O 3.37Å
201Y98.9Very high98.1Very high0 Ų040.9 Ų40.90%021%0.21CC..Hα-helixtrans-60.3-37.8-179.5-71.2-54.6000112.4V189 F204 A205 Y248 D253 L254 L257V189-Y201 HydrophobicContact CB-CD1 4.32Å; V189-Y201 HydrophobicContact CB-CE1 4.45Å; V189-Y201 HydrophobicContact CG1-CD1 3.83Å; V189-Y201 HydrophobicContact CG1-CE1 4.36Å; V189-Y201 HydrophobicContact CG1-CG 4.49Å; V189-Y201 HydrophobicContact CG2-CD1 3.88Å; V189-Y201 HydrophobicContact CG2-CE1 4Å; Y201-F204 PolarHBondContact O-N 3.2Å; Y201-A205 WeakPolarHBondContact O-CB 3.25Å; Y201-A205 PolarHBondContact O-N 3.46Å; Y201-Y248 HydrophobicContact CD1-CD2 4.37Å; Y201-Y248 VanDerWaalsContact CD2-O 3.23Å; Y201-Y248 WeakPolarHBondContact CD2-O 3.44Å; Y201-Y248 AromaticContact CE1-CD2 3.59Å; Y201-Y248 HydrophobicContact CE1-CD2 3.59Å; Y201-Y248 HydrophobicContact CE1-CG 4.16Å; Y201-Y248 HydrophobicContact CE2-CD2 4.23Å; Y201-Y248 HydrophobicContact CE2-CG 4.49Å; Y201-Y248 AromaticContact CZ-CD2 3.52Å; Y201-Y248 PolarHBondContact N-O 3.33Å; Y201-Y248 WeakPolarHBondContact OH-CD2 3.45Å; Y201-D253 HydrophobicContact CD2-CB 4.15Å; Y201-L254 HydrophobicContact CD1-CB 4.36Å; Y201-L254 HydrophobicContact CD1-CD1 4.06Å; Y201-L254 HydrophobicContact CD2-CB 4.09Å; Y201-L254 HydrophobicContact CE1-CB 4.17Å; Y201-L254 HydrophobicContact CE1-CD1 3.71Å; Y201-L254 HydrophobicContact CE1-CG 4.38Å; Y201-L254 HydrophobicContact CE2-CB 3.89Å; Y201-L254 HydrophobicContact CG-CB 4.32Å; Y201-L257 HydrophobicContact CD1-CD1 3.77Å; Y201-L257 HydrophobicContact CG-CD1 4.49Å
202R98.7Very high98.2Very high100 Ų10040.9 Ų40.938%0.37721%0.21SC..Hα-helixtrans-69.5-41179.4-68.5-172.9171.7-86.1-9.8111.3D200 F204 A205 D206 D253 Y256D200-R202 VanDerWaalsContact C-N 3.3Å; D200-R202 PolarHBondContact O-N 2.86Å; D200-R202 WeakPolarHBondContact OD1-CA 3.37Å; D200-R202 WeakPolarHBondContact OD1-CB 3.35Å; D200-R202 PolarHBondContact OD1-N 3.06Å; D200-R202 VanDerWaalsContact OD1-N 3.08Å; R202-F204 VanDerWaalsContact C-N 3.32Å; R202-F204 PolarHBondContact O-N 2.64Å; R202-A205 PolarHBondContact O-N 2.62Å; R202-D206 WeakPolarHBondContact O-CB 3.46Å; R202-D206 PolarHBondContact O-N 2.7Å; R202-D253 HydrophobicContact CG-CB 4.21Å; R202-D253 IonicContact CZ-OD1 3.84Å; R202-D253 VanDerWaalsContact NE-CG 3.29Å; R202-D253 IonicContact NE-OD1 2.86Å; R202-D253 PolarHBondContact NE-OD1 3.06Å; R202-D253 IonicContact NE-OD2 3.2Å; R202-D253 PolarHBondContact NE-OD2 3.12Å; R202-D253 IonicContact NH2-OD1 3Å; R202-D253 PolarHBondContact NH2-OD1 3.38Å; R202-Y256 HydrophobicContact CG-CD1 4.17Å; R202-Y256 HydrophobicContact CG-CE1 4.45Å
203H98.7Very high98.2Very high50 Ų5044.1 Ų44.123%0.23123%0.228CC..Hα-helixtrans-56.8-48173.1177.177.7000111S193 D200 D206 N207S193-H203 WeakPolarHBondContact CB-NE2 3.33Å; D200-H203 WeakPolarHBondContact O-CB 3.32Å; D200-H203 PolarHBondContact O-N 2.88Å; D200-H203 WeakPolarHBondContact OD1-CB 3.24Å; D200-H203 PolarHBondContact OD1-N 2.94Å; H203-D206 PolarHBondContact O-N 3.11Å; H203-N207 PolarHBondContact ND1-ND2 3.03Å; H203-N207 VanDerWaalsContact ND1-ND2 3.19Å; H203-N207 VanDerWaalsContact O-CB 3.26Å; H203-N207 WeakPolarHBondContact O-CB 3.47Å; H203-N207 PolarHBondContact O-N 2.93Å; H203-N207 PolarHBondContact O-ND2 3.34Å
204F98.9Very high98.2Very high0 Ų050.2 Ų50.20%025%0.254CS..Iπ-helixtrans-61-47.8177.2-171-82.3000111.4V189 D200 Y201 R202 D206 V208 I209 I212 I220 L222 L257 M524V189-F204 HydrophobicContact CG1-CB 4.11Å; V189-F204 HydrophobicContact CG2-CB 4.45Å; V189-F204 HydrophobicContact CG2-CD2 4.3Å; V189-F204 HydrophobicContact CG2-CG 4.26Å; D200-F204 PolarHBondContact O-N 3.43Å; D200-F204 VanDerWaalsContact O-N 3.1Å; Y201-F204 PolarHBondContact O-N 3.2Å; R202-F204 VanDerWaalsContact C-N 3.32Å; R202-F204 PolarHBondContact O-N 2.64Å; F204-D206 PolarHBondContact O-N 3.34Å; F204-V208 HydrophobicContact CD1-CB 4.42Å; F204-V208 HydrophobicContact CD2-CB 3.88Å; F204-V208 HydrophobicContact CD2-CG1 4.04Å; F204-V208 HydrophobicContact CD2-CG2 3.99Å; F204-V208 HydrophobicContact CE2-CB 3.98Å; F204-V208 HydrophobicContact CE2-CG1 3.64Å; F204-V208 HydrophobicContact CE2-CG2 4.42Å; F204-V208 HydrophobicContact CG-CB 4.1Å; F204-V208 HydrophobicContact CG-CG2 4.35Å; F204-V208 HydrophobicContact CZ-CB 4.29Å; F204-V208 HydrophobicContact CZ-CG1 3.94Å; F204-V208 WeakPolarHBondContact O-CA 3.36Å; F204-V208 WeakPolarHBondContact O-CB 3.33Å; F204-V208 PolarHBondContact O-N 3.46Å; F204-I209 HydrophobicContact CD1-CD1 4.38Å; F204-I209 HydrophobicContact CD1-CG1 3.91Å; F204-I209 HydrophobicContact CE1-CD1 4.46Å; F204-I209 HydrophobicContact CE1-CG1 3.8Å; F204-I209 PolarHBondContact O-N 2.86Å; F204-I212 HydrophobicContact CE1-CD1 4.33Å; F204-I212 HydrophobicContact CZ-CD1 3.93Å; F204-I220 HydrophobicContact CE1-CD1 4.39Å; F204-L222 HydrophobicContact CE1-CD1 4.37Å; F204-L222 HydrophobicContact CZ-CD1 4.37Å; F204-L257 HydrophobicContact CB-CD1 4.04Å; F204-L257 HydrophobicContact CD1-CD1 3.62Å; F204-L257 HydrophobicContact CD1-CD2 4.33Å; F204-L257 HydrophobicContact CD1-CG 3.99Å; F204-L257 HydrophobicContact CE1-CD1 4.47Å; F204-L257 HydrophobicContact CG-CD1 4.09Å; F204-M524 HydrophobicContact CE2-CE 4.44Å
205A98.9Very high98.2Very high1 Ų146.5 Ų46.51%0.00824%0.235CC..Iπ-helixtrans-58.8-45.3179.800000112.7Y201 R202 I209 Y256 L257 K260Y201-A205 WeakPolarHBondContact O-CB 3.25Å; Y201-A205 PolarHBondContact O-N 3.46Å; R202-A205 PolarHBondContact O-N 2.62Å; A205-I209 HydrophobicContact CB-CD1 4.35Å; A205-Y256 HydrophobicContact CB-CD1 3.87Å; A205-Y256 HydrophobicContact CB-CE1 3.7Å; A205-L257 HydrophobicContact CB-CB 4.09Å; A205-L257 HydrophobicContact CB-CG 4.24Å; A205-K260 HydrophobicContact CB-CB 4.18Å; A205-K260 HydrophobicContact CB-CG 4.32Å
206D98.8Very high98.3Very high76 Ų7642.3 Ų42.341%0.40622%0.218SC..Iπ-helixtrans-87.7-25.6-171.7-64.4-27.5000113.1R202 H203 F204 P210 Y256R202-D206 WeakPolarHBondContact O-CB 3.46Å; R202-D206 PolarHBondContact O-N 2.7Å; H203-D206 PolarHBondContact O-N 3.11Å; F204-D206 PolarHBondContact O-N 3.34Å; D206-P210 WeakPolarHBondContact O-CG 3.23Å; D206-Y256 WeakPolarHBondContact OD1-CE1 3.43Å; D206-Y256 PolarHBondContact OD1-OH 2.77Å
207N98.5Very high98.5Very high78 Ų7840.3 Ų40.342%0.41720%0.196SC..Iπ-helixtrans-118.1-24.1-171.7-55.5-78.6000114.7H203 R211H203-N207 PolarHBondContact ND1-ND2 3.03Å; H203-N207 VanDerWaalsContact ND1-ND2 3.19Å; H203-N207 VanDerWaalsContact O-CB 3.26Å; H203-N207 WeakPolarHBondContact O-CB 3.47Å; H203-N207 PolarHBondContact O-N 2.93Å; H203-N207 PolarHBondContact O-ND2 3.34Å; N207-R211 WeakPolarHBondContact O-CD 3.18Å; N207-R211 WeakPolarHBondContact O-CG 3.4Å; N207-R211 PolarHBondContact O-NE 3.08Å
208V98.8Very high98.7Very high0 Ų036.6 Ų36.60%018%0.18CC..Iπ-helixtrans-104.8-45.4-174.9-170.70000111F204 P210 R211 I212 W552F204-V208 HydrophobicContact CD1-CB 4.42Å; F204-V208 HydrophobicContact CD2-CB 3.88Å; F204-V208 HydrophobicContact CD2-CG1 4.04Å; F204-V208 HydrophobicContact CD2-CG2 3.99Å; F204-V208 HydrophobicContact CE2-CB 3.98Å; F204-V208 HydrophobicContact CE2-CG1 3.64Å; F204-V208 HydrophobicContact CE2-CG2 4.42Å; F204-V208 HydrophobicContact CG-CB 4.1Å; F204-V208 HydrophobicContact CG-CG2 4.35Å; F204-V208 HydrophobicContact CZ-CB 4.29Å; F204-V208 HydrophobicContact CZ-CG1 3.94Å; F204-V208 WeakPolarHBondContact O-CA 3.36Å; F204-V208 WeakPolarHBondContact O-CB 3.33Å; F204-V208 PolarHBondContact O-N 3.46Å; V208-P210 VanDerWaalsContact C-N 3.33Å; V208-R211 WeakPolarHBondContact O-CA 3.41Å; V208-R211 VanDerWaalsContact O-CB 3.29Å; V208-R211 WeakPolarHBondContact O-CB 3.46Å; V208-R211 PolarHBondContact O-N 3.47Å; V208-I212 HydrophobicContact CG1-CD1 4.1Å; V208-I212 HydrophobicContact CG1-CG1 4.37Å; V208-I212 WeakPolarHBondContact O-CG1 3.39Å; V208-I212 PolarHBondContact O-N 3.47Å; V208-W552 HydrophobicContact CG1-CH2 4.45Å; V208-W552 HydrophobicContact CG1-CZ2 4.11Å
209I98.9Very high98.7Very high0 Ų034.9 Ų34.90%017%0.17CC..Hα-helixtrans-53.9-43.5176.2-61.2-177.8000112.3F204 A205 R211 I212 D213 I220 L257 K260 A261 I266F204-I209 HydrophobicContact CD1-CD1 4.38Å; F204-I209 HydrophobicContact CD1-CG1 3.91Å; F204-I209 HydrophobicContact CE1-CD1 4.46Å; F204-I209 HydrophobicContact CE1-CG1 3.8Å; F204-I209 PolarHBondContact O-N 2.86Å; A205-I209 HydrophobicContact CB-CD1 4.35Å; I209-R211 PolarHBondContact O-N 2.94Å; I209-I212 WeakPolarHBondContact O-CB 3.32Å; I209-I212 PolarHBondContact O-N 3.35Å; I209-I212 VanDerWaalsContact O-N 3.12Å; I209-D213 PolarHBondContact O-N 3.47Å; I209-I220 HydrophobicContact CD1-CD1 4.47Å; I209-I220 HydrophobicContact CG1-CD1 4.07Å; I209-L257 HydrophobicContact CD1-CD2 4.18Å; I209-L257 HydrophobicContact CD1-CG 4.19Å; I209-L257 WeakPolarHBondContact CD1-O 3.49Å; I209-K260 HydrophobicContact CD1-CB 4.21Å; I209-A261 HydrophobicContact CD1-CB 4.05Å; I209-I266 HydrophobicContact CG2-CD1 4.32Å
210P98.8Very high98.7Very high44 Ų4434.8 Ų34.829%0.28617%0.169SC..Hα-helixtrans-61-27.5175.4-25.336.1000114.1D206 V208 K214D206-P210 WeakPolarHBondContact O-CG 3.23Å; V208-P210 VanDerWaalsContact C-N 3.33Å; P210-K214 VanDerWaalsContact O-CB 3.3Å; P210-K214 WeakPolarHBondContact O-CB 3.21Å; P210-K214 PolarHBondContact O-N 2.83Å; P210-K214 VanDerWaalsContact O-N 3.15Å
211R98.6Very high98.8Very high74 Ų7431.4 Ų31.428%0.27915%0.151SC..Hα-helixtrans-73.5-43174.9-61173.6178.1-87.7-0.5110.6N207 V208 I209 K214 Q215 D556N207-R211 WeakPolarHBondContact O-CD 3.18Å; N207-R211 WeakPolarHBondContact O-CG 3.4Å; N207-R211 PolarHBondContact O-NE 3.08Å; V208-R211 WeakPolarHBondContact O-CA 3.41Å; V208-R211 VanDerWaalsContact O-CB 3.29Å; V208-R211 WeakPolarHBondContact O-CB 3.46Å; V208-R211 PolarHBondContact O-N 3.47Å; I209-R211 PolarHBondContact O-N 2.94Å; R211-K214 PolarHBondContact O-N 2.82Å; R211-Q215 WeakPolarHBondContact O-CG 3.29Å; R211-Q215 PolarHBondContact O-N 3.18Å; R211-Q215 VanDerWaalsContact O-N 3.08Å; R211-D556 IonicContact CZ-OD1 2.78Å; R211-D556 IonicContact CZ-OD2 3.23Å; R211-D556 IonicContact NH1-OD1 2.88Å; R211-D556 PolarHBondContact NH1-OD1 2.8Å; R211-D556 IonicContact NH1-OD2 3.97Å; R211-D556 PolarHBondContact NH1-OD2 3.2Å; R211-D556 IonicContact NH2-OD1 2.74Å; R211-D556 IonicContact NH2-OD2 3.86Å; R211-D556 PolarHBondContact NH2-OD2 2.97Å
212I98.9Very high98.8Very high0 Ų031.4 Ų31.40%015%0.151CC..Hα-helixtrans-59.6-49.9178-62.8174.2000110.4Y185 F204 V208 I209 K214 Q215 G216 Y217 I220 I266Y185-I212 HydrophobicContact CD1-CD1 3.4Å; Y185-I212 HydrophobicContact CD1-CG1 3.47Å; Y185-I212 VanDerWaalsContact CD1-CG1 3.47Å; Y185-I212 HydrophobicContact CD1-CG2 4.47Å; Y185-I212 HydrophobicContact CD2-CG1 4.4Å; Y185-I212 HydrophobicContact CE1-CD1 3.9Å; Y185-I212 HydrophobicContact CE1-CG1 3.75Å; Y185-I212 HydrophobicContact CG-CD1 4.06Å; Y185-I212 HydrophobicContact CG-CG1 3.82Å; Y185-I212 HydrophobicContact CG-CG2 4.07Å; F204-I212 HydrophobicContact CE1-CD1 4.33Å; F204-I212 HydrophobicContact CZ-CD1 3.93Å; V208-I212 HydrophobicContact CG1-CD1 4.1Å; V208-I212 HydrophobicContact CG1-CG1 4.37Å; V208-I212 WeakPolarHBondContact O-CG1 3.39Å; V208-I212 PolarHBondContact O-N 3.47Å; I209-I212 WeakPolarHBondContact O-CB 3.32Å; I209-I212 PolarHBondContact O-N 3.35Å; I209-I212 VanDerWaalsContact O-N 3.12Å; I212-K214 PolarHBondContact O-N 3.38Å; I212-Q215 PolarHBondContact O-N 3.07Å; I212-Q215 VanDerWaalsContact O-N 3.11Å; I212-G216 PolarHBondContact O-N 2.87Å; I212-Y217 HydrophobicContact CG2-CD2 4.48Å; I212-Y217 HydrophobicContact CG2-CG 4.41Å; I212-Y217 PolarHBondContact O-N 2.92Å; I212-I220 HydrophobicContact CD1-CD1 3.77Å; I212-I220 HydrophobicContact CD1-CG1 3.91Å; I212-I220 HydrophobicContact CG2-CD1 4.42Å; I212-I220 HydrophobicContact CG2-CG1 4.08Å; I212-I266 HydrophobicContact CG2-CD1 4.35Å
213D98.7Very high98.8Very high68 Ų6826.7 Ų26.736%0.36413%0.133SC..Hα-helixtrans-55.8-50.7174.9178.630.3000111.6I209 Q215 G216 I266I209-D213 PolarHBondContact O-N 3.47Å; D213-Q215 PolarHBondContact O-N 3.06Å; D213-Q215 VanDerWaalsContact O-N 3.09Å; D213-G216 PolarHBondContact O-N 2.77Å; D213-I266 HydrophobicContact CB-CD1 3.8Å
214K98.5Very high98.7Very high132 Ų13224.5 Ų24.557%0.57412%0.124SC*.Hα-helixtrans-57.7-29.2177.4-177.4179.2179.3-177.40113.3P210 R211 I212 G216 R570P210-K214 VanDerWaalsContact O-CB 3.3Å; P210-K214 WeakPolarHBondContact O-CB 3.21Å; P210-K214 PolarHBondContact O-N 2.83Å; P210-K214 VanDerWaalsContact O-N 3.15Å; R211-K214 PolarHBondContact O-N 2.82Å; I212-K214 PolarHBondContact O-N 3.38Å; K214-G216 VanDerWaalsContact C-N 3.32Å; K214-R570 WeakPolarHBondContact O-CD 3.26Å; K214-R570 WeakPolarHBondContact O-CG 3.47Å
215Q98.5Very high98.7Very high7 Ų724.5 Ų24.53%0.03312%0.124CC..THydrogen-bonded Turntrans-81.5-8.5178.1-70.3-56.8-29.900113.6R211 I212 D213 Y217 N566 R570 N573R211-Q215 WeakPolarHBondContact O-CG 3.29Å; R211-Q215 PolarHBondContact O-N 3.18Å; R211-Q215 VanDerWaalsContact O-N 3.08Å; I212-Q215 PolarHBondContact O-N 3.07Å; I212-Q215 VanDerWaalsContact O-N 3.11Å; D213-Q215 PolarHBondContact O-N 3.06Å; D213-Q215 VanDerWaalsContact O-N 3.09Å; Q215-Y217 HydrophobicContact CB-CD2 3.51Å; Q215-Y217 HydrophobicContact CB-CE2 3.55Å; Q215-Y217 HydrophobicContact CG-CE2 4.33Å; Q215-N566 PolarHBondContact NE2-ND2 3.33Å; Q215-N566 PolarHBondContact NE2-OD1 2.81Å; Q215-N566 PolarHBondContact OE1-O 2.96Å; Q215-N566 VanDerWaalsContact OE1-O 3.04Å; Q215-R570 VanDerWaalsContact OE1-CB 3.28Å; Q215-R570 VanDerWaalsContact OE1-N 3.09Å; Q215-N573 VanDerWaalsContact O-CB 3.25Å; Q215-N573 WeakPolarHBondContact O-CB 3.17Å; Q215-N573 PolarHBondContact O-ND2 3.34Å
216G98.5Very high98.7Very high9 Ų924.6 Ų24.69%0.09312%0.124CC..THydrogen-bonded Turntrans8413.7178.800000114.8R183 I212 D213 K214 M574R183-G216 PolarHBondContact NE-O 3.02Å; R183-G216 PolarHBondContact NH2-O 2.62Å; I212-G216 PolarHBondContact O-N 2.87Å; D213-G216 PolarHBondContact O-N 2.77Å; K214-G216 VanDerWaalsContact C-N 3.32Å; G216-M574 VanDerWaalsContact CA-CE 3.42Å
217Y98.9Very high98.7Very high4 Ų421 Ų212%0.01611%0.105CC..  trans-71.8141.4167.5-65.5-85.7000109.4R183 Y185 I212 Q215 R509 W520 N522 D569 N573R183-Y217 HydrophobicContact CB-CD1 4.23Å; R183-Y217 WeakPolarHBondContact O-CA 3.39Å; R183-Y217 WeakPolarHBondContact O-CB 3.48Å; R183-Y217 WeakPolarHBondContact O-CD1 3.23Å; Y185-Y217 HydrophobicContact CD2-CD1 4.22Å; Y185-Y217 AromaticContact CD2-CD2 3.55Å; Y185-Y217 HydrophobicContact CD2-CD2 3.55Å; Y185-Y217 HydrophobicContact CD2-CE1 4.12Å; Y185-Y217 AromaticContact CD2-CE2 3.45Å; Y185-Y217 HydrophobicContact CD2-CE2 3.45Å; Y185-Y217 VanDerWaalsContact CD2-CE2 3.45Å; Y185-Y217 AromaticContact CD2-CG 3.98Å; Y185-Y217 HydrophobicContact CD2-CG 3.98Å; Y185-Y217 AromaticContact CD2-CZ 3.77Å; Y185-Y217 HydrophobicContact CE2-CD2 4.34Å; Y185-Y217 AromaticContact CE2-CE2 3.97Å; Y185-Y217 HydrophobicContact CE2-CE2 3.97Å; Y185-Y217 HydrophobicContact CG-CD2 4.29Å; Y185-Y217 HydrophobicContact CG-CG 4.37Å; I212-Y217 HydrophobicContact CG2-CD2 4.48Å; I212-Y217 HydrophobicContact CG2-CG 4.41Å; I212-Y217 PolarHBondContact O-N 2.92Å; Q215-Y217 HydrophobicContact CB-CD2 3.51Å; Q215-Y217 HydrophobicContact CB-CE2 3.55Å; Q215-Y217 HydrophobicContact CG-CE2 4.33Å; Y217-R509 PolarHBondContact OH-NH2 3.15Å; Y217-W520 AromaticContact CE1-CD1 3.86Å; Y217-W520 AromaticContact CE1-NE1 3.77Å; Y217-N522 HydrophobicContact CE1-CB 3.76Å; Y217-N522 WeakPolarHBondContact OH-CB 3.2Å; Y217-D569 WeakPolarHBondContact CE2-OD2 3.37Å; Y217-D569 VanDerWaalsContact CZ-OD2 3.29Å; Y217-D569 VanDerWaalsContact OH-CG 3.25Å; Y217-D569 PolarHBondContact OH-OD1 3.17Å; Y217-D569 VanDerWaalsContact OH-OD1 3.11Å; Y217-D569 PolarHBondContact OH-OD2 2.94Å; Y217-N573 WeakPolarHBondContact CE2-ND2 3.49Å
218N98.8Very high98.7Very high16 Ų1617.3 Ų17.39%0.0869%0.085CC..  trans-113.91.2-179.46113.9000112.3P179 A181 R183 I267P179-N218 HydrophobicContact CB-CB 4.48Å; P179-N218 VanDerWaalsContact CB-ND2 3.34Å; P179-N218 WeakPolarHBondContact CB-ND2 3.29Å; P179-N218 HydrophobicContact CG-CB 4.33Å; A181-N218 PolarHBondContact O-ND2 3.08Å; R183-N218 VanDerWaalsContact CZ-ND2 3.35Å; R183-N218 PolarHBondContact N-OD1 3.34Å; R183-N218 PolarHBondContact NH2-ND2 2.73Å; R183-N218 PolarHBondContact O-N 3.04Å; R183-N218 VanDerWaalsContact O-N 3.07Å; R183-N218 PolarHBondContact O-OD1 2.69Å; N218-I267 WeakPolarHBondContact O-CG1 3.08Å; N218-I267 PolarHBondContact O-N 2.95Å; N218-I267 VanDerWaalsContact O-N 3.12Å
219T98.9Very high98.6Very high0 Ų018.3 Ų18.30%09%0.094CC..EExtended strand (participates in β ladder)trans-143.3139.4-177.5-57.60000110R183 I184 Y185 I267 L269R183-T219 PolarHBondContact O-N 3.19Å; I184-T219 CarbonylContact C-O 3.44Å; I184-T219 WeakPolarHBondContact CA-O 3.44Å; I184-T219 HydrophobicContact CB-CG2 4.4Å; I184-T219 HydrophobicContact CG1-CG2 3.88Å; I184-T219 HydrophobicContact CG2-CG2 4.22Å; Y185-T219 PolarHBondContact N-O 2.92Å; T219-I267 CarbonylContact C-O 3.56Å; T219-I267 VanDerWaalsContact CA-O 3.29Å; T219-I267 WeakPolarHBondContact CA-O 3.48Å; T219-I267 HydrophobicContact CG2-CD1 4.02Å; T219-I267 HydrophobicContact CG2-CG1 3.84Å; T219-I267 WeakPolarHBondContact OG1-CD1 3.21Å; T219-I267 WeakPolarHBondContact OG1-CG1 3.49Å; T219-L269 HydrophobicContact CG2-CD1 3.71Å; T219-L269 HydrophobicContact CG2-CG 3.71Å
220I98.9Very high98.4Very high0 Ų024.3 Ų24.30%012%0.117CC..EExtended strand (participates in β ladder)trans-109.2127.9168.6-67.9169.6000108.3Y185 F204 I209 I212 L222 A261 I266 I267 V268 L269Y185-I220 WeakPolarHBondContact O-CA 3.42Å; F204-I220 HydrophobicContact CE1-CD1 4.39Å; I209-I220 HydrophobicContact CD1-CD1 4.47Å; I209-I220 HydrophobicContact CG1-CD1 4.07Å; I212-I220 HydrophobicContact CD1-CD1 3.77Å; I212-I220 HydrophobicContact CD1-CG1 3.91Å; I212-I220 HydrophobicContact CG2-CD1 4.42Å; I212-I220 HydrophobicContact CG2-CG1 4.08Å; I220-L222 HydrophobicContact CG2-CB 4.33Å; I220-L222 HydrophobicContact CG2-CD1 4.14Å; I220-A261 HydrophobicContact CD1-CB 4.32Å; I220-I266 HydrophobicContact CB-CG2 4.5Å; I220-I266 HydrophobicContact CD1-CG2 3.85Å; I220-I266 HydrophobicContact CG1-CG2 3.74Å; I220-I267 PolarHBondContact N-O 3.27Å; I220-V268 HydrophobicContact CB-CG1 4.39Å; I220-V268 HydrophobicContact CG2-CG1 4.41Å; I220-L269 PolarHBondContact O-N 3.37Å
221Q98.9Very high98.3Very high1 Ų122.9 Ų22.91%0.00511%0.106CC..EExtended strand (participates in β ladder)trans-94.6111.4164-178.767.953.400107.6I184 Y185 E186 S187 L270 D271I184-Q221 HydrophobicContact CG2-CB 3.51Å; Y185-Q221 PolarHBondContact O-N 2.8Å; Y185-Q221 VanDerWaalsContact O-N 3.11Å; E186-Q221 HydrophobicContact CB-CB 4.27Å; E186-Q221 HydrophobicContact CG-CB 4.36Å; E186-Q221 HydrophobicContact CG-CG 4.36Å; S187-Q221 PolarHBondContact N-O 2.85Å; Q221-L270 PolarHBondContact NE2-O 2.9Å; Q221-D271 WeakPolarHBondContact CG-OD1 3.33Å; Q221-D271 PolarHBondContact NE2-OD1 3.11Å
222L98.9Very high98.1Very high0 Ų020.4 Ų20.40%010%0.102CC..EExtended strand (participates in β ladder)trans-99.7106-173.3-158.365.5000110.6V189 F204 I220 V225 L254 L257 V268 L269 D271 F336V189-L222 HydrophobicContact CG2-CD1 3.8Å; V189-L222 HydrophobicContact CG2-CG 4.44Å; F204-L222 HydrophobicContact CE1-CD1 4.37Å; F204-L222 HydrophobicContact CZ-CD1 4.37Å; I220-L222 HydrophobicContact CG2-CB 4.33Å; I220-L222 HydrophobicContact CG2-CD1 4.14Å; L222-V225 HydrophobicContact CB-CG2 4.16Å; L222-V225 HydrophobicContact CD2-CG2 3.68Å; L222-V225 HydrophobicContact CG-CG2 3.63Å; L222-L254 HydrophobicContact CD2-CD1 3.89Å; L222-L257 HydrophobicContact CD2-CD1 4.44Å; L222-L257 HydrophobicContact CD2-CD2 4.04Å; L222-V268 HydrophobicContact CB-CG1 4.23Å; L222-V268 HydrophobicContact CD2-CG1 4.42Å; L222-L269 PolarHBondContact N-O 2.69Å; L222-D271 PolarHBondContact O-N 2.71Å; L222-F336 HydrophobicContact CB-CE1 4.22Å; L222-F336 HydrophobicContact CD2-CE1 4.07Å; L222-F336 HydrophobicContact CD2-CZ 4.11Å
223M98.8Very high97.9Very high0 Ų021.1 Ų21.10%011%0.107CC..EExtended strand (participates in β ladder)trans-83.5160.2-178.4-52.8-175.66500112.1E186 S187 V225 D271 H465 F523E186-M223 HydrophobicContact CG-CG 4Å; E186-M223 HydrophobicContact CG-SD 3.59Å; E186-M223 VanDerWaalsContact CG-SD 3.59Å; S187-M223 WeakPolarHBondContact O-CB 3.27Å; S187-M223 WeakPolarHBondContact O-CG 3.29Å; S187-M223 PolarHBondContact O-N 3.26Å; M223-V225 PolarHBondContact O-N 2.75Å; M223-V225 VanDerWaalsContact O-N 3.16Å; M223-D271 WeakPolarHBondContact CB-OD2 3.44Å; M223-D271 VanDerWaalsContact CG-OD2 3.27Å; M223-D271 WeakPolarHBondContact CG-OD2 3.35Å; M223-H465 HydrophobicContact CE-CB 4.36Å; M223-H465 HydrophobicContact SD-CB 4.18Å; M223-F523 HydrophobicContact SD-CE2 4.28Å
224A98.2Very high97.7Very high4 Ų418.2 Ų18.23%0.0339%0.091CC..SBendtrans55.633.3168.300000115.1H188 H228 F234 Y248H188-A224 WeakPolarHBondContact CD2-CB 3.22Å; H188-A224 WeakPolarHBondContact NE2-CB 3.45Å; A224-H228 PolarHBondContact O-CE1 3.28Å; A224-F234 WeakPolarHBondContact CB-O 3.4Å; A224-Y248 VanDerWaalsContact O-CE2 3.27Å; A224-Y248 WeakPolarHBondContact O-CE2 3.33Å; A224-Y248 PolarHBondContact O-OH 2.62Å
225V98.8Very high97.7Very high1 Ų112.1 Ų12.11%0.0067%0.066CC..  trans-84.9-42.5179.1176.70000111.6L222 M223 E227 S245 L254 L270 W330 F336L222-V225 HydrophobicContact CB-CG2 4.16Å; L222-V225 HydrophobicContact CD2-CG2 3.68Å; L222-V225 HydrophobicContact CG-CG2 3.63Å; M223-V225 PolarHBondContact O-N 2.75Å; M223-V225 VanDerWaalsContact O-N 3.16Å; V225-E227 PolarHBondContact O-N 2.93Å; V225-S245 WeakPolarHBondContact O-CB 3.3Å; V225-S245 PolarHBondContact O-N 3.04Å; V225-L254 HydrophobicContact CG1-CD1 4.45Å; V225-L254 HydrophobicContact CG1-CD2 3.43Å; V225-L254 VanDerWaalsContact CG1-CD2 3.43Å; V225-L270 HydrophobicContact CB-CD1 3.47Å; V225-L270 VanDerWaalsContact CB-CD1 3.47Å; V225-L270 HydrophobicContact CG1-CD1 4.01Å; V225-L270 HydrophobicContact CG2-CD1 3.79Å; V225-W330 HydrophobicContact CG1-CH2 4.03Å; V225-W330 HydrophobicContact CG1-CZ3 3.89Å; V225-F336 HydrophobicContact CG1-CZ 4.3Å; V225-F336 HydrophobicContact CG2-CZ 4.44Å
226M98.8Very high97.6Very high3 Ų314.1 Ų14.12%0.0157%0.073CC..EExtended strand (participates in β ladder)trans-60.4130.8172.7-63.3174.580.500108.7H228 V238 F241 I272 N326 W330M226-H228 PolarHBondContact O-N 3.36Å; M226-H228 PolarHBondContact O-ND1 3.23Å; M226-V238 HydrophobicContact CB-CG1 4.03Å; M226-V238 HydrophobicContact CB-CG2 3.88Å; M226-V238 HydrophobicContact CE-CG1 4.12Å; M226-V238 HydrophobicContact SD-CG2 4.45Å; M226-F241 HydrophobicContact CE-CB 3.9Å; M226-F241 HydrophobicContact CE-CD1 3.35Å; M226-F241 HydrophobicContact CE-CE1 4.07Å; M226-F241 HydrophobicContact CE-CG 3.96Å; M226-F241 WeakPolarHBondContact CE-O 3.33Å; M226-I272 HydrophobicContact SD-CD1 4.13Å; M226-N326 WeakPolarHBondContact CE-OD1 3.37Å; M226-W330 HydrophobicContact CG-CZ2 3.77Å
227E98.8Very high97.5Very high0 Ų015.1 Ų15.10%08%0.076CC..EExtended strand (participates in β ladder)trans-62.2135.4-173-17870.5-84.200111.9V149 Y158 V225 V238 T239 S240 A243 S245 S246 R247V149-E227 HydrophobicContact CG2-CB 4.25Å; V149-E227 HydrophobicContact CG2-CG 3.48Å; V149-E227 VanDerWaalsContact CG2-CG 3.48Å; Y158-E227 HydrophobicContact CE1-CG 4.41Å; Y158-E227 WeakPolarHBondContact CE1-OE2 3.42Å; V225-E227 PolarHBondContact O-N 2.93Å; E227-V238 WeakPolarHBondContact O-CA 3.34Å; E227-T239 PolarHBondContact O-N 3.39Å; E227-T239 PolarHBondContact O-OG1 3.43Å; E227-S240 PolarHBondContact O-N 2.92Å; E227-A243 HydrophobicContact CB-CB 3.85Å; E227-A243 PolarHBondContact N-O 2.96Å; E227-S245 PolarHBondContact OE1-OG 2.79Å; E227-S246 WeakPolarHBondContact OE2-CB 3.11Å; E227-S246 PolarHBondContact OE2-N 3.48Å; E227-S246 PolarHBondContact OE2-OG 3.29Å; E227-R247 IonicContact OE1-NH1 3.19Å; E227-R247 PolarHBondContact OE1-NH1 2.76Å
228H98Very high97.5Very high0 Ų015 Ų150%08%0.075CC..EExtended strand (participates in β ladder)trans-142.8122.4-175.251.4-76.1000108.1A224 M226 Y230 Y231 Q237 R247A224-H228 PolarHBondContact O-CE1 3.28Å; M226-H228 PolarHBondContact O-N 3.36Å; M226-H228 PolarHBondContact O-ND1 3.23Å; H228-Y230 PolarHBondContact O-N 2.98Å; H228-Y231 AromaticContact NE2-CD2 3.99Å; H228-Q237 WeakPolarHBondContact CA-O 3.36Å; H228-Q237 WeakPolarHBondContact CB-O 3.26Å; H228-R247 PolarHBondContact O-NH1 3.13Å; H228-R247 PolarHBondContact O-NH2 2.89Å
229A96.4Very high97.5Very high22 Ų2214.4 Ų14.418%0.1827%0.072CC..SBendtrans-69.8-30.8-175.300000113.6Y158 T239 R247Y158-A229 HydrophobicContact CD2-CB 3.98Å; Y158-A229 HydrophobicContact CE2-CB 3.91Å; A229-T239 HydrophobicContact CB-CG2 3.88Å; A229-R247 PolarHBondContact O-NH2 3.08Å
230Y95Very high97.5Very high126 Ų12614.6 Ų14.649%0.4947%0.073SC..  trans-93.6101.8179-177.5-133.9000110.8H228 A232 S233H228-Y230 PolarHBondContact O-N 2.98Å; Y230-A232 VanDerWaalsContact C-N 3.29Å; Y230-A232 HydrophobicContact CD2-CB 4.46Å; Y230-A232 HydrophobicContact CE1-CB 4.02Å; Y230-A232 HydrophobicContact CE2-CB 3.79Å; Y230-A232 PolarHBondContact O-N 3.4Å; Y230-S233 WeakPolarHBondContact O-CB 3.41Å; Y230-S233 PolarHBondContact O-N 3.06Å; Y230-S233 PolarHBondContact O-OG 3.24Å
231Y95.7Very high97.5Very high13 Ų1314.6 Ų14.65%0.0517%0.074CC..G310 helixtrans-61.2-36.6-173.8-173-139.9000113.2H188 G190 V198 H228 S233 F234 Y248 F536 P537 Y545H188-Y231 AromaticContact CE1-CE2 3.57Å; H188-Y231 AromaticContact CE1-CZ 3.94Å; H188-Y231 PolarHBondContact CE1-OH 2.76Å; H188-Y231 AromaticContact NE2-CE2 3.79Å; G190-Y231 VanDerWaalsContact C-OH 3.31Å; G190-Y231 WeakPolarHBondContact CA-OH 3.23Å; V198-Y231 HydrophobicContact CG2-CD1 4.46Å; V198-Y231 HydrophobicContact CG2-CE1 3.87Å; H228-Y231 AromaticContact NE2-CD2 3.99Å; Y231-S233 PolarHBondContact O-N 3.04Å; Y231-S233 VanDerWaalsContact O-N 3.17Å; Y231-F234 PolarHBondContact O-N 3.34Å; Y231-F234 VanDerWaalsContact O-N 3.13Å; Y231-Y248 HydrophobicContact CE2-CE1 4.22Å; Y231-F536 AromaticContact CD1-CD1 3.96Å; Y231-F536 HydrophobicContact CD1-CD1 3.96Å; Y231-F536 HydrophobicContact CD1-CE1 4.48Å; Y231-F536 HydrophobicContact CD2-CD1 4.41Å; Y231-F536 HydrophobicContact CD2-CE1 4.32Å; Y231-F536 AromaticContact CE1-CD1 3.82Å; Y231-F536 HydrophobicContact CE1-CD1 3.82Å; Y231-F536 HydrophobicContact CE1-CE1 4.05Å; Y231-F536 HydrophobicContact CE2-CD1 4.27Å; Y231-F536 AromaticContact CE2-CE1 3.86Å; Y231-F536 HydrophobicContact CE2-CE1 3.86Å; Y231-F536 HydrophobicContact CG-CD1 4.24Å; Y231-F536 AromaticContact CZ-CD1 3.97Å; Y231-F536 AromaticContact CZ-CE1 3.7Å; Y231-P537 HydrophobicContact CD1-CG 3.8Å; Y231-P537 HydrophobicContact CE1-CG 4.37Å; Y231-Y545 HydrophobicContact CD1-CE1 4.27Å; Y231-Y545 AromaticContact CE1-CE1 3.93Å; Y231-Y545 HydrophobicContact CE1-CE1 3.93Å
232A95Very high97.5Very high23 Ų2314.7 Ų14.719%0.197%0.074CC..G310 helixtrans-73.71176.100000114.3Y230 F234 F536Y230-A232 VanDerWaalsContact C-N 3.29Å; Y230-A232 HydrophobicContact CD2-CB 4.46Å; Y230-A232 HydrophobicContact CE1-CB 4.02Å; Y230-A232 HydrophobicContact CE2-CB 3.79Å; Y230-A232 PolarHBondContact O-N 3.4Å; A232-F234 PolarHBondContact O-N 3.1Å; A232-F536 HydrophobicContact CB-CB 3.43Å; A232-F536 VanDerWaalsContact CB-CB 3.43Å; A232-F536 HydrophobicContact CB-CG 4.26Å
233S94.6Very high97.5Very high14 Ų1414.7 Ų14.710%0.0987%0.074CC..G310 helixtrans-73.3-7.916569.20000113.1Y230 Y231 G235 Y236 Q237Y230-S233 WeakPolarHBondContact O-CB 3.41Å; Y230-S233 PolarHBondContact O-N 3.06Å; Y230-S233 PolarHBondContact O-OG 3.24Å; Y231-S233 PolarHBondContact O-N 3.04Å; Y231-S233 VanDerWaalsContact O-N 3.17Å; S233-G235 PolarHBondContact O-N 2.71Å; S233-G235 VanDerWaalsContact O-N 3.14Å; S233-G235 PolarHBondContact OG-N 2.68Å; S233-Y236 WeakPolarHBondContact O-CB 3.42Å; S233-Y236 VanDerWaalsContact O-CD2 3.25Å; S233-Y236 WeakPolarHBondContact O-CD2 3.48Å; S233-Y236 PolarHBondContact O-N 3.19Å; S233-Q237 PolarHBondContact OG-N 2.68Å
234F95.6Very high97.5Very high7 Ų714.7 Ų14.73%0.0317%0.074CC..THydrogen-bonded Turntrans59.823.2-178-147.2174.3000114.1H188 A224 Y231 A232 Y236 H465 L469 F523 L534 F536H188-F234 HydrophobicContact CB-CE2 3.73Å; H188-F234 AromaticContact CD2-CD2 3.34Å; H188-F234 WeakPolarHBondContact CD2-CD2 3.31Å; H188-F234 AromaticContact CD2-CE2 3.3Å; H188-F234 WeakPolarHBondContact CD2-CE2 3.46Å; H188-F234 AromaticContact CG-CE2 3.63Å; H188-F234 AromaticContact NE2-CD2 3.99Å; A224-F234 WeakPolarHBondContact CB-O 3.4Å; Y231-F234 PolarHBondContact O-N 3.34Å; Y231-F234 VanDerWaalsContact O-N 3.13Å; A232-F234 PolarHBondContact O-N 3.1Å; F234-Y236 HydrophobicContact CB-CD2 4.22Å; F234-Y236 HydrophobicContact CB-CE2 4.37Å; F234-H465 AromaticContact CD1-CD2 3.97Å; F234-H465 HydrophobicContact CE1-CB 3.69Å; F234-H465 AromaticContact CE1-CD2 3.75Å; F234-H465 HydrophobicContact CZ-CB 3.97Å; F234-L469 HydrophobicContact CD1-CD1 4.19Å; F234-L469 HydrophobicContact CD1-CD2 4.04Å; F234-L469 HydrophobicContact CD1-CG 4.44Å; F234-L469 HydrophobicContact CE1-CD1 4.46Å; F234-L469 HydrophobicContact CE1-CD2 3.97Å; F234-L469 HydrophobicContact CE1-CG 4.31Å; F234-F523 HydrophobicContact CZ-CE2 4.2Å; F234-F523 AromaticContact CZ-CZ 3.79Å; F234-F523 HydrophobicContact CZ-CZ 3.79Å; F234-L534 HydrophobicContact CE1-CD2 3.88Å; F234-L534 HydrophobicContact CE2-CD2 4.38Å; F234-L534 HydrophobicContact CZ-CD2 3.57Å; F234-F536 HydrophobicContact CB-CE2 4.33Å; F234-F536 HydrophobicContact CB-CZ 4.42Å; F234-F536 AromaticContact CD1-CE2 3.97Å; F234-F536 HydrophobicContact CD1-CE2 3.97Å; F234-F536 HydrophobicContact CD1-CZ 4.4Å; F234-F536 HydrophobicContact CD2-CE1 4.29Å; F234-F536 AromaticContact CD2-CE2 3.74Å; F234-F536 HydrophobicContact CD2-CE2 3.74Å; F234-F536 AromaticContact CD2-CZ 3.31Å; F234-F536 HydrophobicContact CD2-CZ 3.31Å; F234-F536 HydrophobicContact CE1-CE2 4.12Å; F234-F536 AromaticContact CE2-CE2 3.92Å; F234-F536 HydrophobicContact CE2-CE2 3.92Å; F234-F536 AromaticContact CE2-CZ 3.48Å; F234-F536 HydrophobicContact CE2-CZ 3.48Å; F234-F536 VanDerWaalsContact CE2-CZ 3.48Å; F234-F536 AromaticContact CG-CE2 3.76Å; F234-F536 HydrophobicContact CG-CE2 3.76Å; F234-F536 AromaticContact CG-CZ 3.81Å; F234-F536 HydrophobicContact CG-CZ 3.81Å; F234-F536 HydrophobicContact CZ-CE2 4.11Å; F234-F536 HydrophobicContact CZ-CZ 4.11Å
235G96.9Very high97.5Very high5 Ų514.5 Ų14.55%0.0527%0.072CC..THydrogen-bonded Turntrans100-16.6-176.800000114.8S233 Q237 V238S233-G235 PolarHBondContact O-N 2.71Å; S233-G235 VanDerWaalsContact O-N 3.14Å; S233-G235 PolarHBondContact OG-N 2.68Å; G235-Q237 VanDerWaalsContact C-N 3.31Å; G235-Q237 PolarHBondContact O-N 2.74Å; G235-V238 WeakPolarHBondContact O-CG2 3.22Å
236Y96.9Very high97.5Very high49 Ų4915.4 Ų15.419%0.1928%0.079CC..  trans-71.5-21.7-173.3-67.2-68000113.9S233 F234 V238 V273 H276 D342 H465S233-Y236 WeakPolarHBondContact O-CB 3.42Å; S233-Y236 VanDerWaalsContact O-CD2 3.25Å; S233-Y236 WeakPolarHBondContact O-CD2 3.48Å; S233-Y236 PolarHBondContact O-N 3.19Å; F234-Y236 HydrophobicContact CB-CD2 4.22Å; F234-Y236 HydrophobicContact CB-CE2 4.37Å; Y236-V238 PolarHBondContact O-N 3.12Å; Y236-V273 HydrophobicContact CD1-CG2 4.29Å; Y236-H276 PolarHBondContact O-CE1 3.25Å; Y236-H276 PolarHBondContact O-NE2 3.23Å; Y236-D342 HydrophobicContact CD1-CB 4.36Å; Y236-D342 HydrophobicContact CE1-CB 3.83Å; Y236-H465 AromaticContact CE2-NE2 3.98Å; Y236-H465 AromaticContact CZ-NE2 3.92Å; Y236-H465 PolarHBondContact OH-CE1 3.49Å; Y236-H465 PolarHBondContact OH-NE2 2.89Å
237Q97.5Very high97.4Very high30 Ų3017.7 Ų17.714%0.149%0.087CC..SBendtrans-9767.1179.2-68.7-75.2-23.800111.9H228 S233 G235 T239 C278 W307 S309H228-Q237 WeakPolarHBondContact CA-O 3.36Å; H228-Q237 WeakPolarHBondContact CB-O 3.26Å; S233-Q237 PolarHBondContact OG-N 2.68Å; G235-Q237 VanDerWaalsContact C-N 3.31Å; G235-Q237 PolarHBondContact O-N 2.74Å; Q237-T239 PolarHBondContact O-N 2.83Å; Q237-C278 HydrophobicContact CB-CB 4.26Å; Q237-W307 PolarHBondContact NE2-O 2.66Å; Q237-S309 PolarHBondContact NE2-OG 2.84Å; Q237-S309 PolarHBondContact OE1-OG 3.3Å
238V98.6Very high97.4Very high1 Ų117.8 Ų17.81%0.0069%0.087CC..EExtended strand (participates in β ladder)trans-64.5131.5-177.3179.80000112M226 E227 G235 Y236 F241 V273 C278M226-V238 HydrophobicContact CB-CG1 4.03Å; M226-V238 HydrophobicContact CB-CG2 3.88Å; M226-V238 HydrophobicContact CE-CG1 4.12Å; M226-V238 HydrophobicContact SD-CG2 4.45Å; E227-V238 WeakPolarHBondContact O-CA 3.34Å; G235-V238 WeakPolarHBondContact O-CG2 3.22Å; Y236-V238 PolarHBondContact O-N 3.12Å; V238-F241 HydrophobicContact CB-CE1 4.3Å; V238-F241 HydrophobicContact CB-CE2 4.32Å; V238-F241 HydrophobicContact CB-CZ 3.99Å; V238-F241 HydrophobicContact CG1-CD1 3.99Å; V238-F241 HydrophobicContact CG1-CD2 3.81Å; V238-F241 HydrophobicContact CG1-CE1 3.91Å; V238-F241 HydrophobicContact CG1-CE2 3.74Å; V238-F241 HydrophobicContact CG1-CG 3.89Å; V238-F241 HydrophobicContact CG1-CZ 3.75Å; V238-V273 HydrophobicContact CG2-CB 3.74Å; V238-V273 HydrophobicContact CG2-CG1 4.34Å; V238-V273 HydrophobicContact CG2-CG2 4.04Å; V238-C278 WeakPolarHBondContact O-CB 3.16Å; V238-C278 PolarHBondContact O-N 2.8Å
239T98.5Very high97.4Very high4 Ų418.5 Ų18.53%0.02510%0.095CC..EExtended strand (participates in β ladder)trans-109-41176.7490000112.6E227 A229 Q237 C278 N280E227-T239 PolarHBondContact O-N 3.39Å; E227-T239 PolarHBondContact O-OG1 3.43Å; A229-T239 HydrophobicContact CB-CG2 3.88Å; Q237-T239 PolarHBondContact O-N 2.83Å; T239-C278 HydrophobicContact CG2-CB 3.76Å; T239-N280 HydrophobicContact CG2-CB 4.32Å
240S98.6Very high97.4Very high3 Ų319.4 Ų19.42%0.02110%0.099CC..EExtended strand (participates in β ladder)trans-129.699.6-177.3-550000110.5E227 F242 A243E227-S240 PolarHBondContact O-N 2.92Å; S240-F242 VanDerWaalsContact C-N 3.32Å; S240-F242 PolarHBondContact O-N 2.99Å; S240-A243 PolarHBondContact O-N 2.97Å; S240-A243 VanDerWaalsContact O-N 3.16Å
241F98.8Very high97.6Very high1 Ų113.5 Ų13.50%0.0048%0.076CC..EExtended strand (participates in β ladder)trans-67.2-28.4-164.9-74.3-105.5000114.1M226 V238 V273 H274 A277 L285 F312 F322 N326 W330M226-F241 HydrophobicContact CE-CB 3.9Å; M226-F241 HydrophobicContact CE-CD1 3.35Å; M226-F241 HydrophobicContact CE-CE1 4.07Å; M226-F241 HydrophobicContact CE-CG 3.96Å; M226-F241 WeakPolarHBondContact CE-O 3.33Å; V238-F241 HydrophobicContact CB-CE1 4.3Å; V238-F241 HydrophobicContact CB-CE2 4.32Å; V238-F241 HydrophobicContact CB-CZ 3.99Å; V238-F241 HydrophobicContact CG1-CD1 3.99Å; V238-F241 HydrophobicContact CG1-CD2 3.81Å; V238-F241 HydrophobicContact CG1-CE1 3.91Å; V238-F241 HydrophobicContact CG1-CE2 3.74Å; V238-F241 HydrophobicContact CG1-CG 3.89Å; V238-F241 HydrophobicContact CG1-CZ 3.75Å; F241-V273 WeakPolarHBondContact CE1-O 3.47Å; F241-H274 AromaticContact CD1-CD2 3.99Å; F241-A277 HydrophobicContact CE2-CB 3.94Å; F241-A277 HydrophobicContact CZ-CB 3.71Å; F241-L285 HydrophobicContact CD2-CD2 4.31Å; F241-L285 HydrophobicContact CE2-CB 4.4Å; F241-L285 HydrophobicContact CE2-CD2 4.04Å; F241-F312 HydrophobicContact CE1-CE2 4.13Å; F241-F312 AromaticContact CE1-CZ 3.64Å; F241-F312 HydrophobicContact CE1-CZ 3.64Å; F241-F312 HydrophobicContact CE2-CZ 4.23Å; F241-F312 HydrophobicContact CZ-CE2 4.14Å; F241-F312 AromaticContact CZ-CZ 3.51Å; F241-F312 HydrophobicContact CZ-CZ 3.51Å; F241-F322 HydrophobicContact CB-CE1 3.88Å; F241-F322 HydrophobicContact CB-CZ 3.66Å; F241-F322 HydrophobicContact CD1-CE1 4.11Å; F241-F322 HydrophobicContact CD2-CE1 4.01Å; F241-F322 AromaticContact CD2-CZ 3.95Å; F241-F322 HydrophobicContact CD2-CZ 3.95Å; F241-F322 AromaticContact CG-CE1 3.71Å; F241-F322 HydrophobicContact CG-CE1 3.71Å; F241-F322 AromaticContact CG-CZ 3.83Å; F241-F322 HydrophobicContact CG-CZ 3.83Å; F241-N326 PolarHBondContact O-ND2 3.18Å; F241-W330 WeakPolarHBondContact O-CZ2 3.4Å; F241-W330 PolarHBondContact O-NE1 3.31Å
242F98.9Very high97.7Very high2 Ų213.7 Ų13.71%0.0098%0.078CC..EExtended strand (participates in β ladder)trans-95.6-3.6-179.8-71.4-99.4000113W145 A146 S240 F322 N326 W329W145-F242 HydrophobicContact CD2-CE2 4.27Å; W145-F242 HydrophobicContact CD2-CZ 4.44Å; W145-F242 HydrophobicContact CE3-CD1 4.33Å; W145-F242 HydrophobicContact CE3-CD2 4.18Å; W145-F242 AromaticContact CE3-CE1 3.8Å; W145-F242 HydrophobicContact CE3-CE1 3.8Å; W145-F242 AromaticContact CE3-CE2 3.64Å; W145-F242 HydrophobicContact CE3-CE2 3.64Å; W145-F242 AromaticContact CE3-CZ 3.42Å; W145-F242 HydrophobicContact CE3-CZ 3.42Å; W145-F242 VanDerWaalsContact CE3-CZ 3.42Å; W145-F242 HydrophobicContact CH2-CZ 4.21Å; W145-F242 AromaticContact CZ3-CE1 3.8Å; W145-F242 HydrophobicContact CZ3-CE1 3.8Å; W145-F242 AromaticContact CZ3-CE2 3.86Å; W145-F242 HydrophobicContact CZ3-CE2 3.86Å; W145-F242 AromaticContact CZ3-CZ 3.28Å; W145-F242 HydrophobicContact CZ3-CZ 3.28Å; A146-F242 CarbonylContact O-C 3.59Å; S240-F242 VanDerWaalsContact C-N 3.32Å; S240-F242 PolarHBondContact O-N 2.99Å; F242-F322 AromaticContact CD2-CE2 3.95Å; F242-F322 HydrophobicContact CD2-CE2 3.95Å; F242-F322 HydrophobicContact CD2-CZ 4.2Å; F242-F322 AromaticContact CE2-CD2 3.74Å; F242-F322 HydrophobicContact CE2-CD2 3.74Å; F242-F322 HydrophobicContact CE2-CE1 4.44Å; F242-F322 AromaticContact CE2-CE2 3.46Å; F242-F322 HydrophobicContact CE2-CE2 3.46Å; F242-F322 VanDerWaalsContact CE2-CE2 3.46Å; F242-F322 HydrophobicContact CE2-CG 4.36Å; F242-F322 AromaticContact CE2-CZ 3.86Å; F242-F322 HydrophobicContact CE2-CZ 3.86Å; F242-F322 WeakPolarHBondContact CZ-O 3.41Å; F242-N326 HydrophobicContact CE1-CB 4.17Å; F242-N326 HydrophobicContact CE2-CB 4Å; F242-N326 VanDerWaalsContact CZ-CA 3.49Å; F242-N326 HydrophobicContact CZ-CB 3.67Å; F242-W329 HydrophobicContact CD1-CB 3.76Å; F242-W329 AromaticContact CD1-CD1 3.57Å; F242-W329 AromaticContact CD1-CD2 3.94Å; F242-W329 HydrophobicContact CD1-CD2 3.94Å; F242-W329 AromaticContact CD1-CG 3.48Å; F242-W329 HydrophobicContact CD1-CG 3.48Å; F242-W329 VanDerWaalsContact CD1-CG 3.48Å; F242-W329 AromaticContact CD1-NE1 3.99Å; F242-W329 HydrophobicContact CE1-CB 3.7Å; F242-W329 AromaticContact CE1-CG 3.97Å; F242-W329 HydrophobicContact CE1-CG 3.97Å; F242-W329 PolarHBondContact O-NE1 2.74Å
243A98.8Very high97.9Very high0 Ų013.8 Ų13.80%08%0.075CC..EExtended strand (participates in β ladder)trans-94.5127.4-176.500000111.4A146 T147 V149 E227 S240A146-A243 PolarHBondContact O-N 2.94Å; T147-A243 WeakPolarHBondContact O-CA 3.32Å; V149-A243 HydrophobicContact CG2-CB 4.27Å; E227-A243 HydrophobicContact CB-CB 3.85Å; E227-A243 PolarHBondContact N-O 2.96Å; S240-A243 PolarHBondContact O-N 2.97Å; S240-A243 VanDerWaalsContact O-N 3.16Å
244A98.7Very high98.1Very high0 Ų013.1 Ų13.10%07%0.071CC..EExtended strand (participates in β ladder)trans-67.7130.8162.900000108.9S246 L254 W330 Y334A244-S246 PolarHBondContact O-N 2.87Å; A244-S246 VanDerWaalsContact O-N 3.07Å; A244-L254 HydrophobicContact CB-CD2 3.75Å; A244-W330 HydrophobicContact CB-CH2 4.39Å; A244-W330 HydrophobicContact CB-CZ3 4.48Å; A244-Y334 HydrophobicContact CB-CE1 4.2Å
245S98.7Very high98.3Very high0 Ų013.3 Ų13.30%07%0.071CC..  trans-54113.4-176.3177.80000111.3V225 E227 R247 Y248V225-S245 WeakPolarHBondContact O-CB 3.3Å; V225-S245 PolarHBondContact O-N 3.04Å; E227-S245 PolarHBondContact OE1-OG 2.79Å; S245-R247 PolarHBondContact O-N 3.13Å; S245-R247 VanDerWaalsContact O-N 3.13Å; S245-Y248 VanDerWaalsContact CB-CE2 3.49Å; S245-Y248 PolarHBondContact O-N 2.72Å; S245-Y248 WeakPolarHBondContact OG-CE2 3.21Å
246S98.3Very high98.4Very high20 Ų2014.7 Ų14.714%0.148%0.075CC..G310 helixtrans-65.5-18.8-173.853.70000114.2V149 E227 A244 Y248 G249V149-S246 WeakPolarHBondContact O-CB 3.29Å; V149-S246 PolarHBondContact O-OG 3.08Å; E227-S246 WeakPolarHBondContact OE2-CB 3.11Å; E227-S246 PolarHBondContact OE2-N 3.48Å; E227-S246 PolarHBondContact OE2-OG 3.29Å; A244-S246 PolarHBondContact O-N 2.87Å; A244-S246 VanDerWaalsContact O-N 3.07Å; S246-Y248 PolarHBondContact O-N 3.28Å; S246-G249 PolarHBondContact O-N 3.08Å
247R97Very high98.5Very high52 Ų5212.3 Ų12.320%0.1967%0.066CC..G310 helixtrans-55.9-30.6175.7-83.8-171.9-153.979.7-5.6113.4Y158 V198 E227 H228 A229 S245Y158-R247 PolarHBondContact OH-NH1 3.26Å; Y158-R247 PolarHBondContact OH-NH2 3.47Å; V198-R247 HydrophobicContact CG1-CB 4.04Å; V198-R247 WeakPolarHBondContact CG1-O 3.28Å; E227-R247 IonicContact OE1-NH1 3.19Å; E227-R247 PolarHBondContact OE1-NH1 2.76Å; H228-R247 PolarHBondContact O-NH1 3.13Å; H228-R247 PolarHBondContact O-NH2 2.89Å; A229-R247 PolarHBondContact O-NH2 3.08Å; S245-R247 PolarHBondContact O-N 3.13Å; S245-R247 VanDerWaalsContact O-N 3.13Å
248Y98.5Very high98.5Very high1 Ų110.9 Ų10.90%0.0046%0.059CC..G310 helixtrans-102.4-0.3-175.6-33.9-52.8000112.9H188 V189 V198 D200 Y201 A224 Y231 S245 S246H188-Y248 AromaticContact CE1-CZ 3.92Å; H188-Y248 PolarHBondContact CE1-OH 3.1Å; H188-Y248 VanDerWaalsContact CE1-OH 3.3Å; H188-Y248 PolarHBondContact NE2-OH 3.4Å; V189-Y248 HydrophobicContact CB-CD1 4.33Å; V189-Y248 HydrophobicContact CB-CD2 4.13Å; V189-Y248 HydrophobicContact CB-CE2 4.47Å; V189-Y248 HydrophobicContact CB-CG 4.04Å; V189-Y248 HydrophobicContact CG1-CD1 4.2Å; V189-Y248 HydrophobicContact CG1-CD2 4.32Å; V189-Y248 HydrophobicContact CG1-CG 3.83Å; V198-Y248 HydrophobicContact CG1-CD1 3.64Å; V198-Y248 HydrophobicContact CG1-CE1 3.88Å; D200-Y248 CarbonylContact C-O 3.45Å; D200-Y248 VanDerWaalsContact CA-O 3.28Å; D200-Y248 WeakPolarHBondContact CA-O 3.37Å; D200-Y248 VanDerWaalsContact CB-O 3.23Å; D200-Y248 WeakPolarHBondContact CB-O 3.37Å; Y201-Y248 HydrophobicContact CD1-CD2 4.37Å; Y201-Y248 VanDerWaalsContact CD2-O 3.23Å; Y201-Y248 WeakPolarHBondContact CD2-O 3.44Å; Y201-Y248 AromaticContact CE1-CD2 3.59Å; Y201-Y248 HydrophobicContact CE1-CD2 3.59Å; Y201-Y248 HydrophobicContact CE1-CG 4.16Å; Y201-Y248 HydrophobicContact CE2-CD2 4.23Å; Y201-Y248 HydrophobicContact CE2-CG 4.49Å; Y201-Y248 AromaticContact CZ-CD2 3.52Å; Y201-Y248 PolarHBondContact N-O 3.33Å; Y201-Y248 WeakPolarHBondContact OH-CD2 3.45Å; A224-Y248 VanDerWaalsContact O-CE2 3.27Å; A224-Y248 WeakPolarHBondContact O-CE2 3.33Å; A224-Y248 PolarHBondContact O-OH 2.62Å; Y231-Y248 HydrophobicContact CE2-CE1 4.22Å; S245-Y248 VanDerWaalsContact CB-CE2 3.49Å; S245-Y248 PolarHBondContact O-N 2.72Å; S245-Y248 WeakPolarHBondContact OG-CE2 3.21Å; S246-Y248 PolarHBondContact O-N 3.28Å
249G98Very high98.5Very high15 Ų1511 Ų1116%0.1556%0.06CC..  trans129.8-177.9-179.800000113.7Y148 S246Y148-G249 PolarHBondContact OH-O 3.12Å; S246-G249 PolarHBondContact O-N 3.08Å
250P97.7Very high98.5Very high41 Ų4112.7 Ų12.727%0.2667%0.067SC..  trans-71.1159.8174.530.7-36.2000112.3Y163 D252 D253Y163-P250 HydrophobicContact CE2-CB 3.84Å; P250-D252 PolarHBondContact O-N 3.28Å; P250-D252 VanDerWaalsContact O-N 3.12Å; P250-D253 WeakPolarHBondContact CD-OD2 3.22Å; P250-D253 HydrophobicContact CG-CB 4.31Å; P250-D253 WeakPolarHBondContact O-CB 3.2Å; P250-D253 PolarHBondContact O-N 2.92Å
251P98.7Very high98.6Very high2 Ų212.6 Ų12.61%0.0137%0.066CC..Hα-helixtrans-46.1-40.2175.2-35.436.7000115.4Y148 Y163 D253 L254 K255 Y334Y148-P251 VanDerWaalsContact CD2-CD 3.44Å; Y148-P251 HydrophobicContact CD2-CG 3.79Å; Y148-P251 HydrophobicContact CE2-CG 4.36Å; Y148-P251 HydrophobicContact CG-CG 4.1Å; Y163-P251 HydrophobicContact CD1-CB 4.13Å; Y163-P251 HydrophobicContact CD1-CG 3.89Å; Y163-P251 HydrophobicContact CD2-CG 4.06Å; Y163-P251 HydrophobicContact CE1-CB 3.69Å; Y163-P251 HydrophobicContact CE1-CG 3.85Å; Y163-P251 HydrophobicContact CE2-CB 4.5Å; Y163-P251 VanDerWaalsContact CE2-CD 3.49Å; Y163-P251 HydrophobicContact CE2-CG 4.03Å; Y163-P251 HydrophobicContact CG-CG 4Å; P251-D253 PolarHBondContact O-N 3.31Å; P251-L254 WeakPolarHBondContact O-CB 3.36Å; P251-L254 PolarHBondContact O-N 2.82Å; P251-L254 VanDerWaalsContact O-N 3.15Å; P251-K255 PolarHBondContact O-N 3.26Å; P251-K255 VanDerWaalsContact O-N 3.17Å; P251-Y334 HydrophobicContact CB-CE1 4.11Å; P251-Y334 WeakPolarHBondContact CB-OH 3.48Å; P251-Y334 WeakPolarHBondContact O-CE1 3.49Å
252D98.4Very high98.6Very high18 Ų1813 Ų1310%0.0967%0.068CC..Hα-helixtrans-68.5-22-179.1-71.7-28.1000113.4Y163 P165 P250 K255 Y256Y163-D252 WeakPolarHBondContact OH-CB 3.34Å; Y163-D252 PolarHBondContact OH-N 3.11Å; Y163-D252 PolarHBondContact OH-OD2 2.8Å; P165-D252 WeakPolarHBondContact CG-OD2 3.4Å; P250-D252 PolarHBondContact O-N 3.28Å; P250-D252 VanDerWaalsContact O-N 3.12Å; D252-K255 PolarHBondContact O-N 3.02Å; D252-K255 WeakPolarHBondContact OD1-CD 3.34Å; D252-K255 IonicContact OD1-NZ 2.7Å; D252-K255 PolarHBondContact OD1-NZ 3.01Å; D252-Y256 PolarHBondContact O-N 3.44Å
253D98.6Very high98.5Very high25 Ų2515.9 Ų15.913%0.1348%0.081CC..Hα-helixtrans-76-30173.8-72.9-5.5000111.7Y201 R202 P250 P251 Y256 L257Y201-D253 HydrophobicContact CD2-CB 4.15Å; R202-D253 HydrophobicContact CG-CB 4.21Å; R202-D253 IonicContact CZ-OD1 3.84Å; R202-D253 VanDerWaalsContact NE-CG 3.29Å; R202-D253 IonicContact NE-OD1 2.86Å; R202-D253 PolarHBondContact NE-OD1 3.06Å; R202-D253 IonicContact NE-OD2 3.2Å; R202-D253 PolarHBondContact NE-OD2 3.12Å; R202-D253 IonicContact NH2-OD1 3Å; R202-D253 PolarHBondContact NH2-OD1 3.38Å; P250-D253 WeakPolarHBondContact CD-OD2 3.22Å; P250-D253 HydrophobicContact CG-CB 4.31Å; P250-D253 WeakPolarHBondContact O-CB 3.2Å; P250-D253 PolarHBondContact O-N 2.92Å; P251-D253 PolarHBondContact O-N 3.31Å; D253-Y256 WeakPolarHBondContact O-CB 3.46Å; D253-Y256 PolarHBondContact O-N 3.39Å; D253-L257 PolarHBondContact O-N 2.89Å
254L98.9Very high98.5Very high0 Ų019.2 Ų19.20%09%0.094CC..Hα-helixtrans-67.7-40.4169.1176.359.4000111.3Y201 L222 V225 A244 P251 Y256 L257 V258 W330 Y334 F336Y201-L254 HydrophobicContact CD1-CB 4.36Å; Y201-L254 HydrophobicContact CD1-CD1 4.06Å; Y201-L254 HydrophobicContact CD2-CB 4.09Å; Y201-L254 HydrophobicContact CE1-CB 4.17Å; Y201-L254 HydrophobicContact CE1-CD1 3.71Å; Y201-L254 HydrophobicContact CE1-CG 4.38Å; Y201-L254 HydrophobicContact CE2-CB 3.89Å; Y201-L254 HydrophobicContact CG-CB 4.32Å; L222-L254 HydrophobicContact CD2-CD1 3.89Å; V225-L254 HydrophobicContact CG1-CD1 4.45Å; V225-L254 HydrophobicContact CG1-CD2 3.43Å; V225-L254 VanDerWaalsContact CG1-CD2 3.43Å; A244-L254 HydrophobicContact CB-CD2 3.75Å; P251-L254 WeakPolarHBondContact O-CB 3.36Å; P251-L254 PolarHBondContact O-N 2.82Å; P251-L254 VanDerWaalsContact O-N 3.15Å; L254-Y256 VanDerWaalsContact C-N 3.32Å; L254-Y256 PolarHBondContact O-N 3.12Å; L254-L257 WeakPolarHBondContact O-CB 3.46Å; L254-L257 PolarHBondContact O-N 3.18Å; L254-L257 VanDerWaalsContact O-N 3.15Å; L254-V258 HydrophobicContact CD1-CG2 4.39Å; L254-V258 PolarHBondContact O-N 3.44Å; L254-W330 HydrophobicContact CD2-CZ3 4.05Å; L254-Y334 HydrophobicContact CB-CD1 4.09Å; L254-Y334 HydrophobicContact CB-CE1 4.11Å; L254-Y334 HydrophobicContact CD2-CD1 3.54Å; L254-Y334 HydrophobicContact CD2-CE1 3.69Å; L254-Y334 HydrophobicContact CD2-CG 4.16Å; L254-Y334 HydrophobicContact CG-CD1 3.72Å; L254-Y334 HydrophobicContact CG-CE1 4.12Å; L254-F336 HydrophobicContact CD1-CZ 4.21Å; L254-F336 HydrophobicContact CD2-CE2 4.28Å; L254-F336 HydrophobicContact CD2-CZ 4.41Å
255K98.8Very high98.5Very high10 Ų1024.3 Ų24.34%0.04312%0.121CC..Hα-helixtrans-60.2-44173.6-63.6176.5-173.6167.40111.3Y169 F171 P251 D252 L257 V258 D259 E333 Y334Y169-K255 HydrophobicContact CD1-CB 3.57Å; Y169-K255 HydrophobicContact CD1-CD 4.39Å; Y169-K255 HydrophobicContact CE1-CB 4.2Å; Y169-K255 HydrophobicContact CG-CB 4.01Å; F171-K255 HydrophobicContact CE1-CB 4.26Å; F171-K255 WeakPolarHBondContact CE1-O 3.31Å; F171-K255 HydrophobicContact CE2-CB 4.02Å; F171-K255 HydrophobicContact CE2-CD 4.13Å; F171-K255 HydrophobicContact CE2-CG 3.98Å; F171-K255 HydrophobicContact CZ-CB 3.62Å; F171-K255 HydrophobicContact CZ-CD 4.47Å; F171-K255 HydrophobicContact CZ-CG 3.83Å; P251-K255 PolarHBondContact O-N 3.26Å; P251-K255 VanDerWaalsContact O-N 3.17Å; D252-K255 PolarHBondContact O-N 3.02Å; D252-K255 WeakPolarHBondContact OD1-CD 3.34Å; D252-K255 IonicContact OD1-NZ 2.7Å; D252-K255 PolarHBondContact OD1-NZ 3.01Å; K255-L257 VanDerWaalsContact C-N 3.3Å; K255-L257 PolarHBondContact O-N 3.08Å; K255-V258 PolarHBondContact O-N 2.8Å; K255-D259 WeakPolarHBondContact O-CB 3.33Å; K255-D259 PolarHBondContact O-N 3.17Å; K255-E333 VanDerWaalsContact CE-O 3.23Å; K255-E333 WeakPolarHBondContact CE-O 3.37Å; K255-E333 WeakPolarHBondContact CE-OE1 3.48Å; K255-E333 IonicContact NZ-OE1 3.48Å; K255-E333 PolarHBondContact NZ-OE1 2.92Å; K255-Y334 HydrophobicContact CG-CD1 3.75Å; K255-Y334 HydrophobicContact CG-CE1 4.19Å
256Y98.9Very high98.5Very high34 Ų3424.3 Ų24.313%0.13312%0.121CC..Hα-helixtrans-57.1-42.2173.4175.3-101000112.3Y169 R202 A205 D206 D252 D253 L254 K260Y169-Y256 AromaticContact CE2-CD2 3.95Å; Y169-Y256 HydrophobicContact CE2-CD2 3.95Å; Y169-Y256 HydrophobicContact CE2-CG 4.45Å; R202-Y256 HydrophobicContact CG-CD1 4.17Å; R202-Y256 HydrophobicContact CG-CE1 4.45Å; A205-Y256 HydrophobicContact CB-CD1 3.87Å; A205-Y256 HydrophobicContact CB-CE1 3.7Å; D206-Y256 WeakPolarHBondContact OD1-CE1 3.43Å; D206-Y256 PolarHBondContact OD1-OH 2.77Å; D252-Y256 PolarHBondContact O-N 3.44Å; D253-Y256 WeakPolarHBondContact O-CB 3.46Å; D253-Y256 PolarHBondContact O-N 3.39Å; L254-Y256 VanDerWaalsContact C-N 3.32Å; L254-Y256 PolarHBondContact O-N 3.12Å; Y256-K260 HydrophobicContact CD1-CG 4.34Å; Y256-K260 HydrophobicContact CD2-CG 4.32Å; Y256-K260 HydrophobicContact CE1-CG 3.92Å; Y256-K260 HydrophobicContact CE2-CD 4.39Å; Y256-K260 HydrophobicContact CE2-CG 3.91Å; Y256-K260 WeakPolarHBondContact O-CB 3.34Å; Y256-K260 VanDerWaalsContact O-CG 3.29Å; Y256-K260 WeakPolarHBondContact O-CG 3.27Å; Y256-K260 PolarHBondContact O-N 2.79Å; Y256-K260 WeakPolarHBondContact OH-CE 3.49Å
257L98.9Very high98.5Very high0 Ų023.6 Ų23.60%012%0.116CC..Hα-helixtrans-60.8-50.6176.6-177.7166.8000112V189 Y201 F204 A205 I209 L222 D253 L254 K255 D259 K260 A261V189-L257 HydrophobicContact CG2-CD1 4.07Å; Y201-L257 HydrophobicContact CD1-CD1 3.77Å; Y201-L257 HydrophobicContact CG-CD1 4.49Å; F204-L257 HydrophobicContact CB-CD1 4.04Å; F204-L257 HydrophobicContact CD1-CD1 3.62Å; F204-L257 HydrophobicContact CD1-CD2 4.33Å; F204-L257 HydrophobicContact CD1-CG 3.99Å; F204-L257 HydrophobicContact CE1-CD1 4.47Å; F204-L257 HydrophobicContact CG-CD1 4.09Å; A205-L257 HydrophobicContact CB-CB 4.09Å; A205-L257 HydrophobicContact CB-CG 4.24Å; I209-L257 HydrophobicContact CD1-CD2 4.18Å; I209-L257 HydrophobicContact CD1-CG 4.19Å; I209-L257 WeakPolarHBondContact CD1-O 3.49Å; L222-L257 HydrophobicContact CD2-CD1 4.44Å; L222-L257 HydrophobicContact CD2-CD2 4.04Å; D253-L257 PolarHBondContact O-N 2.89Å; L254-L257 WeakPolarHBondContact O-CB 3.46Å; L254-L257 PolarHBondContact O-N 3.18Å; L254-L257 VanDerWaalsContact O-N 3.15Å; K255-L257 VanDerWaalsContact C-N 3.3Å; K255-L257 PolarHBondContact O-N 3.08Å; L257-D259 PolarHBondContact O-N 3.5Å; L257-K260 PolarHBondContact O-N 3.02Å; L257-K260 VanDerWaalsContact O-N 3.17Å; L257-A261 PolarHBondContact O-N 3.38Å
258V98.9Very high98.6Very high0 Ų021.1 Ų21.10%011%0.106CC..Hα-helixtrans-63.3-44-179.6177.70000110.7F171 L254 K255 K260 A261 H262 V268 Y334 H335 F336F171-V258 HydrophobicContact CE1-CB 4.33Å; F171-V258 HydrophobicContact CE1-CG1 4.45Å; L254-V258 HydrophobicContact CD1-CG2 4.39Å; L254-V258 PolarHBondContact O-N 3.44Å; K255-V258 PolarHBondContact O-N 2.8Å; V258-K260 PolarHBondContact O-N 2.94Å; V258-A261 WeakPolarHBondContact O-CB 3.36Å; V258-A261 PolarHBondContact O-N 2.87Å; V258-A261 VanDerWaalsContact O-N 3.09Å; V258-H262 PolarHBondContact O-N 3.22Å; V258-V268 HydrophobicContact CG1-CB 4.4Å; V258-V268 HydrophobicContact CG1-CG2 4.24Å; V258-V268 HydrophobicContact CG2-CG1 4.39Å; V258-Y334 WeakPolarHBondContact CB-O 3.49Å; V258-Y334 WeakPolarHBondContact CG1-O 3.15Å; V258-H335 HydrophobicContact CG1-CB 4.18Å; V258-F336 HydrophobicContact CG2-CE1 4.34Å; V258-F336 HydrophobicContact CG2-CZ 4.32Å
259D98.8Very high98.6Very high2 Ų221.1 Ų21.11%0.01111%0.106CC..Hα-helixtrans-61.3-33.1176.4-158.332.7000111.7Y169 F171 K172 Y173 K255 L257 H262 E263Y169-D259 HydrophobicContact CE1-CB 3.95Å; Y169-D259 WeakPolarHBondContact CE1-OD2 3.26Å; Y169-D259 PolarHBondContact OH-OD2 3.03Å; F171-D259 HydrophobicContact CD1-CB 3.62Å; F171-D259 HydrophobicContact CE1-CB 3.94Å; K172-D259 PolarHBondContact N-OD1 3.05Å; K172-D259 PolarHBondContact N-OD2 3.4Å; Y173-D259 VanDerWaalsContact CD2-O 3.29Å; Y173-D259 WeakPolarHBondContact CD2-O 3.41Å; Y173-D259 WeakPolarHBondContact CD2-OD1 3.43Å; Y173-D259 PolarHBondContact N-OD1 3.15Å; K255-D259 WeakPolarHBondContact O-CB 3.33Å; K255-D259 PolarHBondContact O-N 3.17Å; L257-D259 PolarHBondContact O-N 3.5Å; D259-H262 PolarHBondContact O-N 3.5Å; D259-E263 PolarHBondContact O-N 3.37Å
260K98.8Very high98.7Very high41 Ų4120.4 Ų20.418%0.17810%0.099CC..Hα-helixtrans-74.1-27.2175-80.7-65.2-179.9-172.80114.7A205 I209 Y256 L257 V258 E263 R264A205-K260 HydrophobicContact CB-CB 4.18Å; A205-K260 HydrophobicContact CB-CG 4.32Å; I209-K260 HydrophobicContact CD1-CB 4.21Å; Y256-K260 HydrophobicContact CD1-CG 4.34Å; Y256-K260 HydrophobicContact CD2-CG 4.32Å; Y256-K260 HydrophobicContact CE1-CG 3.92Å; Y256-K260 HydrophobicContact CE2-CD 4.39Å; Y256-K260 HydrophobicContact CE2-CG 3.91Å; Y256-K260 WeakPolarHBondContact O-CB 3.34Å; Y256-K260 VanDerWaalsContact O-CG 3.29Å; Y256-K260 WeakPolarHBondContact O-CG 3.27Å; Y256-K260 PolarHBondContact O-N 2.79Å; Y256-K260 WeakPolarHBondContact OH-CE 3.49Å; L257-K260 PolarHBondContact O-N 3.02Å; L257-K260 VanDerWaalsContact O-N 3.17Å; V258-K260 PolarHBondContact O-N 2.94Å; K260-E263 WeakPolarHBondContact CD-OE2 3.47Å; K260-E263 VanDerWaalsContact NZ-CD 3.29Å; K260-E263 IonicContact NZ-OE1 3.42Å; K260-E263 PolarHBondContact NZ-OE1 2.55Å; K260-E263 IonicContact NZ-OE2 3.66Å; K260-E263 PolarHBondContact NZ-OE2 2.6Å; K260-R264 PolarHBondContact O-NH1 3.07Å; K260-R264 VanDerWaalsContact O-NH1 3.08Å
261A98.9Very high98.7Very high0 Ų018.8 Ų18.80%09%0.088CC..Hα-helixtrans-70.7-46.2167.700000110.3I209 I220 L257 V258 E263 R264 D265 I266 V268I209-A261 HydrophobicContact CD1-CB 4.05Å; I220-A261 HydrophobicContact CD1-CB 4.32Å; L257-A261 PolarHBondContact O-N 3.38Å; V258-A261 WeakPolarHBondContact O-CB 3.36Å; V258-A261 PolarHBondContact O-N 2.87Å; V258-A261 VanDerWaalsContact O-N 3.09Å; A261-E263 VanDerWaalsContact C-N 3.3Å; A261-E263 PolarHBondContact O-N 2.86Å; A261-R264 CarbonylContact O-C 3.52Å; A261-R264 WeakPolarHBondContact O-CA 3.48Å; A261-R264 PolarHBondContact O-N 3.01Å; A261-D265 PolarHBondContact O-N 2.8Å; A261-I266 CarbonylContact C-O 3.48Å; A261-I266 HydrophobicContact CB-CB 4.24Å; A261-I266 HydrophobicContact CB-CG2 4.26Å; A261-I266 PolarHBondContact O-N 3.18Å; A261-I266 VanDerWaalsContact O-N 3.11Å; A261-V268 HydrophobicContact CB-CG2 3.3Å
262H98.8Very high98.7Very high9 Ų918.7 Ų18.74%0.0429%0.087CC..Hα-helixtrans-61.3-35.1177.6-66.9173.2000112.9P176 V258 D259 R264 D265 I266 H335 D337P176-H262 WeakPolarHBondContact CD-CD2 3.2Å; V258-H262 PolarHBondContact O-N 3.22Å; D259-H262 PolarHBondContact O-N 3.5Å; H262-R264 PolarHBondContact O-N 3.28Å; H262-R264 VanDerWaalsContact O-N 3.08Å; H262-D265 PolarHBondContact O-N 3.43Å; H262-I266 PolarHBondContact CD2-O 3.07Å; H262-H335 PolarHBondContact CE1-O 3.25Å; H262-H335 VanDerWaalsContact CE1-O 3.27Å; H262-D337 IonicContact CD2-OD2 2.77Å; H262-D337 IonicContact CE1-OD1 3.81Å; H262-D337 IonicContact CE1-OD2 3.12Å; H262-D337 IonicContact NE2-OD1 3.02Å; H262-D337 PolarHBondContact NE2-OD1 2.77Å; H262-D337 IonicContact NE2-OD2 2.62Å; H262-D337 PolarHBondContact NE2-OD2 2.84Å
263E98.5Very high98.7Very high64 Ų6418 Ų1830%0.2998%0.084SC..THydrogen-bonded Turntrans-52.5-28.4170.2179.4178.6-120.500113.2Y173 D259 K260 A261Y173-E263 HydrophobicContact CD1-CB 4.21Å; Y173-E263 HydrophobicContact CD1-CG 4.45Å; Y173-E263 HydrophobicContact CD2-CB 3.74Å; Y173-E263 HydrophobicContact CD2-CG 4.43Å; Y173-E263 HydrophobicContact CE1-CB 4.14Å; Y173-E263 HydrophobicContact CE1-CG 3.92Å; Y173-E263 HydrophobicContact CE2-CB 3.65Å; Y173-E263 HydrophobicContact CE2-CG 3.89Å; Y173-E263 HydrophobicContact CG-CB 4.03Å; Y173-E263 PolarHBondContact OH-OE1 2.92Å; D259-E263 PolarHBondContact O-N 3.37Å; K260-E263 WeakPolarHBondContact CD-OE2 3.47Å; K260-E263 VanDerWaalsContact NZ-CD 3.29Å; K260-E263 IonicContact NZ-OE1 3.42Å; K260-E263 PolarHBondContact NZ-OE1 2.55Å; K260-E263 IonicContact NZ-OE2 3.66Å; K260-E263 PolarHBondContact NZ-OE2 2.6Å; A261-E263 VanDerWaalsContact C-N 3.3Å; A261-E263 PolarHBondContact O-N 2.86Å
264R98.4Very high98.7Very high70 Ų7016.9 Ų16.926%0.2648%0.078SC..THydrogen-bonded Turntrans-106.715.9-177.5-71.5166.4178.469.19.6113.3K260 A261 H262 I266K260-R264 PolarHBondContact O-NH1 3.07Å; K260-R264 VanDerWaalsContact O-NH1 3.08Å; A261-R264 CarbonylContact O-C 3.52Å; A261-R264 WeakPolarHBondContact O-CA 3.48Å; A261-R264 PolarHBondContact O-N 3.01Å; H262-R264 PolarHBondContact O-N 3.28Å; H262-R264 VanDerWaalsContact O-N 3.08Å; R264-I266 HydrophobicContact CB-CD1 4.07Å; R264-I266 HydrophobicContact CB-CG1 4.31Å; R264-I266 PolarHBondContact O-N 2.94Å
265D98Very high98.7Very high106 Ų10617 Ų1757%0.5678%0.079SC*.THydrogen-bonded Turntrans60.429.2-178.2-153.141000113.2P176 A261 H262P176-D265 VanDerWaalsContact CB-OD1 3.31Å; P176-D265 WeakPolarHBondContact CB-OD1 3.35Å; A261-D265 PolarHBondContact O-N 2.8Å; H262-D265 PolarHBondContact O-N 3.43Å
266I98.8Very high98.6Very high1 Ų116.8 Ų16.81%0.0058%0.078CC..  trans-104.4120.2178-66.3169000109I209 I212 D213 I220 A261 H262 R264I209-I266 HydrophobicContact CG2-CD1 4.32Å; I212-I266 HydrophobicContact CG2-CD1 4.35Å; D213-I266 HydrophobicContact CB-CD1 3.8Å; I220-I266 HydrophobicContact CB-CG2 4.5Å; I220-I266 HydrophobicContact CD1-CG2 3.85Å; I220-I266 HydrophobicContact CG1-CG2 3.74Å; A261-I266 CarbonylContact C-O 3.48Å; A261-I266 HydrophobicContact CB-CB 4.24Å; A261-I266 HydrophobicContact CB-CG2 4.26Å; A261-I266 PolarHBondContact O-N 3.18Å; A261-I266 VanDerWaalsContact O-N 3.11Å; H262-I266 PolarHBondContact CD2-O 3.07Å; R264-I266 HydrophobicContact CB-CD1 4.07Å; R264-I266 HydrophobicContact CB-CG1 4.31Å; R264-I266 PolarHBondContact O-N 2.94Å
267I98.8Very high98.6Very high5 Ų515.2 Ų15.23%0.0267%0.072CC..EExtended strand (participates in β ladder)trans-75.6151.4172.260.3162.5000111.1P176 P179 L182 N218 T219 I220 L269 D337 I393P176-I267 HydrophobicContact CB-CG2 3.67Å; P176-I267 HydrophobicContact CG-CG2 3.97Å; P179-I267 HydrophobicContact CG-CD1 4.07Å; P179-I267 HydrophobicContact CG-CG1 4.22Å; L182-I267 HydrophobicContact CD2-CD1 3.98Å; N218-I267 WeakPolarHBondContact O-CG1 3.08Å; N218-I267 PolarHBondContact O-N 2.95Å; N218-I267 VanDerWaalsContact O-N 3.12Å; T219-I267 CarbonylContact C-O 3.56Å; T219-I267 VanDerWaalsContact CA-O 3.29Å; T219-I267 WeakPolarHBondContact CA-O 3.48Å; T219-I267 HydrophobicContact CG2-CD1 4.02Å; T219-I267 HydrophobicContact CG2-CG1 3.84Å; T219-I267 WeakPolarHBondContact OG1-CD1 3.21Å; T219-I267 WeakPolarHBondContact OG1-CG1 3.49Å; I220-I267 PolarHBondContact N-O 3.27Å; I267-L269 HydrophobicContact CD1-CD2 4.39Å; I267-D337 VanDerWaalsContact CA-OD2 3.26Å; I267-D337 WeakPolarHBondContact CA-OD2 3.5Å; I267-D337 HydrophobicContact CB-CB 3.82Å; I267-D337 WeakPolarHBondContact CB-OD2 3.4Å; I267-D337 HydrophobicContact CG2-CB 4.17Å; I267-I393 HydrophobicContact CD1-CD1 3.38Å
268V98.9Very high98.5Very high0 Ų015.5 Ų15.50%07%0.074CC..EExtended strand (participates in β ladder)trans-123.4119.6-178.1-168.90000109.8I220 L222 V258 A261 F336 D337I220-V268 HydrophobicContact CB-CG1 4.39Å; I220-V268 HydrophobicContact CG2-CG1 4.41Å; L222-V268 HydrophobicContact CB-CG1 4.23Å; L222-V268 HydrophobicContact CD2-CG1 4.42Å; V258-V268 HydrophobicContact CG1-CB 4.4Å; V258-V268 HydrophobicContact CG1-CG2 4.24Å; V258-V268 HydrophobicContact CG2-CG1 4.39Å; A261-V268 HydrophobicContact CB-CG2 3.3Å; V268-F336 HydrophobicContact CB-CD1 4.2Å; V268-F336 HydrophobicContact CG1-CD1 3.75Å; V268-F336 HydrophobicContact CG1-CE1 3.6Å; V268-F336 WeakPolarHBondContact O-CD1 3.35Å; V268-D337 PolarHBondContact N-OD2 3.43Å; V268-D337 PolarHBondContact O-N 3.41Å
269L98.9Very high98.4Very high0 Ų019.7 Ų19.70%09%0.092CC..EExtended strand (participates in β ladder)trans-98.8146.7173.8-49.8-177.5000109.7I184 T219 I220 L222 I267 G338 I393 I395I184-L269 HydrophobicContact CD1-CD1 4.48Å; T219-L269 HydrophobicContact CG2-CD1 3.71Å; T219-L269 HydrophobicContact CG2-CG 3.71Å; I220-L269 PolarHBondContact O-N 3.37Å; L222-L269 PolarHBondContact N-O 2.69Å; I267-L269 HydrophobicContact CD1-CD2 4.39Å; L269-G338 WeakPolarHBondContact CA-O 3.49Å; L269-I393 HydrophobicContact CD1-CG2 4.26Å; L269-I393 HydrophobicContact CD2-CB 4.07Å; L269-I393 HydrophobicContact CD2-CG2 4.28Å; L269-I395 HydrophobicContact CD1-CD1 3.58Å; L269-I395 HydrophobicContact CD1-CG1 4.35Å
270L98.9Very high98.3Very high0 Ų022.3 Ų22.30%011%0.106CC..EExtended strand (participates in β ladder)trans-107.8138.5177.3167.764.6000111.2Q221 V225 I272 W330 F336 G338 F339 R340Q221-L270 PolarHBondContact NE2-O 2.9Å; V225-L270 HydrophobicContact CB-CD1 3.47Å; V225-L270 VanDerWaalsContact CB-CD1 3.47Å; V225-L270 HydrophobicContact CG1-CD1 4.01Å; V225-L270 HydrophobicContact CG2-CD1 3.79Å; L270-I272 HydrophobicContact CD2-CD1 3.63Å; L270-I272 HydrophobicContact CD2-CG1 4.49Å; L270-I272 HydrophobicContact CG-CD1 3.99Å; L270-I272 HydrophobicContact CG-CG1 4.39Å; L270-I272 PolarHBondContact O-N 3.12Å; L270-W330 HydrophobicContact CD2-CB 3.62Å; L270-W330 HydrophobicContact CD2-CD2 3.36Å; L270-W330 HydrophobicContact CD2-CE3 3.87Å; L270-W330 HydrophobicContact CD2-CG 3.22Å; L270-F336 HydrophobicContact CB-CB 4.43Å; L270-F336 HydrophobicContact CB-CD1 3.57Å; L270-F336 HydrophobicContact CB-CD2 4.14Å; L270-F336 HydrophobicContact CB-CE1 3.67Å; L270-F336 HydrophobicContact CB-CE2 4.26Å; L270-F336 HydrophobicContact CB-CG 3.8Å; L270-F336 HydrophobicContact CB-CZ 4.03Å; L270-F336 HydrophobicContact CD1-CE1 4.4Å; L270-F336 HydrophobicContact CD1-CE2 4.46Å; L270-F336 HydrophobicContact CD1-CZ 4.1Å; L270-F336 HydrophobicContact CD2-CD2 4.14Å; L270-F336 HydrophobicContact CD2-CE2 4.1Å; L270-F336 HydrophobicContact CD2-CZ 4.49Å; L270-F336 HydrophobicContact CG-CZ 4.45Å; L270-G338 PolarHBondContact N-O 2.97Å; L270-F339 HydrophobicContact CB-CD1 3.95Å; L270-F339 HydrophobicContact CB-CE1 4.29Å; L270-F339 HydrophobicContact CD2-CD1 4.4Å; L270-F339 HydrophobicContact CD2-CE1 4.21Å; L270-F339 HydrophobicContact CG-CD1 4.4Å; L270-F339 CarbonylContact O-C 3.55Å; L270-F339 WeakPolarHBondContact O-CA 3.38Å; L270-R340 PolarHBondContact O-N 3.44Å
271D98.8Very high98.2Very high7 Ų723 Ų234%0.03711%0.114CC..EExtended strand (participates in β ladder)trans-68.8119.8162.7-82.716.7000110.7Q221 L222 M223 R340 D342Q221-D271 WeakPolarHBondContact CG-OD1 3.33Å; Q221-D271 PolarHBondContact NE2-OD1 3.11Å; L222-D271 PolarHBondContact O-N 2.71Å; M223-D271 WeakPolarHBondContact CB-OD2 3.44Å; M223-D271 VanDerWaalsContact CG-OD2 3.27Å; M223-D271 WeakPolarHBondContact CG-OD2 3.35Å; D271-R340 IonicContact OD1-CZ 2.68Å; D271-R340 IonicContact OD1-NE 3.04Å; D271-R340 PolarHBondContact OD1-NE 3.22Å; D271-R340 IonicContact OD1-NH2 2.66Å; D271-R340 PolarHBondContact OD1-NH2 3.13Å; D271-R340 VanDerWaalsContact OD1-NH2 3.1Å; D271-R340 IonicContact OD2-CZ 2.84Å; D271-R340 IonicContact OD2-NE 2.91Å; D271-R340 IonicContact OD2-NH2 3.25Å; D271-R340 PolarHBondContact OD2-NH2 3.09Å; D271-D342 WeakPolarHBondContact CB-OD2 3.49Å; D271-D342 VanDerWaalsContact CG-OD2 3.32Å
272I98.6Very high97.9Very high0 Ų024.7 Ų24.70%013%0.128CC..EExtended strand (participates in β ladder)trans-107.5112.5175.2-67.1-65.3000109M226 L270 H274 L327 F339 R340 F341 D342M226-I272 HydrophobicContact SD-CD1 4.13Å; L270-I272 HydrophobicContact CD2-CD1 3.63Å; L270-I272 HydrophobicContact CD2-CG1 4.49Å; L270-I272 HydrophobicContact CG-CD1 3.99Å; L270-I272 HydrophobicContact CG-CG1 4.39Å; L270-I272 PolarHBondContact O-N 3.12Å; I272-H274 HydrophobicContact CG2-CB 4.05Å; I272-H274 VanDerWaalsContact CG2-ND1 3.34Å; I272-H274 WeakPolarHBondContact CG2-ND1 3.32Å; I272-H274 PolarHBondContact O-N 2.87Å; I272-L327 HydrophobicContact CD1-CD2 4.07Å; I272-L327 HydrophobicContact CG1-CD2 3.93Å; I272-L327 HydrophobicContact CG2-CD2 3.95Å; I272-F339 HydrophobicContact CD1-CD1 3.77Å; I272-F339 HydrophobicContact CD1-CE1 3.96Å; I272-F339 HydrophobicContact CG1-CB 3.84Å; I272-F339 HydrophobicContact CG1-CD1 3.31Å; I272-F339 HydrophobicContact CG1-CE1 4.01Å; I272-F339 HydrophobicContact CG1-CG 3.69Å; I272-R340 PolarHBondContact N-O 2.82Å; I272-F341 HydrophobicContact CG2-CD1 4.11Å; I272-F341 HydrophobicContact CG2-CE1 4.05Å; I272-F341 HydrophobicContact CG2-CZ 4.47Å; I272-D342 PolarHBondContact O-N 3.07Å
273V98.4Very high97.7Very high5 Ų524.5 Ų24.53%0.0313%0.127CC..  trans-98.678.5176-168.50000109.2Y236 V238 F241 D342Y236-V273 HydrophobicContact CD1-CG2 4.29Å; V238-V273 HydrophobicContact CG2-CB 3.74Å; V238-V273 HydrophobicContact CG2-CG1 4.34Å; V238-V273 HydrophobicContact CG2-CG2 4.04Å; F241-V273 WeakPolarHBondContact CE1-O 3.47Å; V273-D342 HydrophobicContact CG2-CB 4.42Å
274H98.7Very high97.6Very high1 Ų121.6 Ų21.61%0.00512%0.115CC..  trans-99.92.7173.7-73.3174.4000113.3F241 I272 F312 Y314 L323 N326 Y377F241-H274 AromaticContact CD1-CD2 3.99Å; I272-H274 HydrophobicContact CG2-CB 4.05Å; I272-H274 VanDerWaalsContact CG2-ND1 3.34Å; I272-H274 WeakPolarHBondContact CG2-ND1 3.32Å; I272-H274 PolarHBondContact O-N 2.87Å; H274-F312 WeakPolarHBondContact O-CD2 3.37Å; H274-Y314 PolarHBondContact O-OH 3.35Å; H274-L323 HydrophobicContact CB-CD2 4.4Å; H274-L323 PolarHBondContact CE1-O 2.76Å; H274-N326 PolarHBondContact NE2-OD1 2.94Å; H274-N326 VanDerWaalsContact NE2-OD1 3.15Å; H274-Y377 HydrophobicContact CB-CE1 4.2Å; H274-Y377 AromaticContact ND1-CZ 3.82Å; H274-Y377 PolarHBondContact ND1-OH 3.33Å
275S97.7Very high97.6Very high2 Ų218.5 Ų18.51%0.01410%0.103CC..SBendtrans-70.7-31.2177.551.60000113.3L311 Y314 D342 G343 M347S275-L311 WeakPolarHBondContact O-CD2 3.47Å; S275-Y314 PolarHBondContact O-OH 3.19Å; S275-D342 VanDerWaalsContact CB-O 3.3Å; S275-D342 WeakPolarHBondContact CB-O 3.4Å; S275-D342 PolarHBondContact OG-O 3.25Å; S275-G343 WeakPolarHBondContact CB-O 3.48Å; S275-M347 VanDerWaalsContact CA-CG 3.49Å
276H98Very high97.6Very high6 Ų614 Ų143%0.0288%0.079CC..  trans-159.9175.9-178.364.3-78.7000111.5Y236 W307 S309 R310 L311Y236-H276 PolarHBondContact O-CE1 3.25Å; Y236-H276 PolarHBondContact O-NE2 3.23Å; H276-W307 HydrophobicContact CB-CE3 4.45Å; H276-W307 AromaticContact CE1-CE3 3.61Å; H276-W307 AromaticContact CE1-CZ3 3.77Å; H276-W307 AromaticContact CG-CE3 3.87Å; H276-W307 AromaticContact ND1-CE3 3.42Å; H276-W307 AromaticContact ND1-CZ3 3.37Å; H276-W307 WeakPolarHBondContact ND1-CZ3 3.39Å; H276-S309 WeakPolarHBondContact CD2-CB 3.4Å; H276-S309 PolarHBondContact CD2-OG 3.01Å; H276-R310 CarbonylContact C-O 3.55Å; H276-R310 VanDerWaalsContact CA-O 3.27Å; H276-R310 WeakPolarHBondContact CA-O 3.36Å; H276-R310 WeakPolarHBondContact CB-O 3.35Å; H276-L311 HydrophobicContact CB-CD2 4.02Å
277A98.4Very high97.5Very high0 Ų017.2 Ų17.20%09%0.094CC..EExtended strand (participates in β ladder)trans-131.4153.5170.600000111.1F241 F296 S309 R310 F312F241-A277 HydrophobicContact CE2-CB 3.94Å; F241-A277 HydrophobicContact CZ-CB 3.71Å; A277-F296 HydrophobicContact CB-CE1 3.59Å; A277-F296 HydrophobicContact CB-CZ 3.66Å; A277-S309 WeakPolarHBondContact O-CB 3.41Å; A277-R310 PolarHBondContact N-O 2.81Å; A277-R310 PolarHBondContact O-N 2.78Å; A277-F312 HydrophobicContact CB-CE2 4.46Å; A277-F312 HydrophobicContact CB-CZ 4.13Å
278C97.4Very high97.4Very high7 Ų717 Ų175%0.0479%0.093CC..EExtended strand (participates in β ladder)trans-58141.5174.6-174.20000111.5Q237 V238 T239 N280Q237-C278 HydrophobicContact CB-CB 4.26Å; V238-C278 WeakPolarHBondContact O-CB 3.16Å; V238-C278 PolarHBondContact O-N 2.8Å; T239-C278 HydrophobicContact CG2-CB 3.76Å; C278-N280 PolarHBondContact O-N 3.08Å; C278-N280 VanDerWaalsContact SG-CG 3.56Å
279K96.8Very high97.3Very high87 Ų8717.1 Ų17.138%0.3789%0.093SC..  trans-72.2-3.9177.269.5169.6175.4-177.30114.5T281 N286 D308K279-T281 PolarHBondContact O-N 2.81Å; K279-N286 WeakPolarHBondContact O-CB 3.28Å; K279-N286 PolarHBondContact O-ND2 3.1Å; K279-D308 WeakPolarHBondContact CD-O 3.31Å; K279-D308 WeakPolarHBondContact CD-OD1 3.08Å; K279-D308 WeakPolarHBondContact CE-OD1 3.5Å; K279-D308 WeakPolarHBondContact CE-OD2 3.46Å; K279-D308 WeakPolarHBondContact CG-O 3.23Å; K279-D308 IonicContact NZ-OD1 3Å; K279-D308 PolarHBondContact NZ-OD1 3.35Å; K279-D308 IonicContact NZ-OD2 3.31Å; K279-D308 PolarHBondContact NZ-OD2 3.4Å
280N96.1Very high97.2Very high57 Ų5718.1 Ų18.131%0.30510%0.104SC..  trans-57.7129.8178.7-81.314000111.7T239 C278 D283 G284 N286T239-N280 HydrophobicContact CG2-CB 4.32Å; C278-N280 PolarHBondContact O-N 3.08Å; C278-N280 VanDerWaalsContact SG-CG 3.56Å; N280-D283 WeakPolarHBondContact CB-OD1 3.41Å; N280-D283 PolarHBondContact ND2-OD1 3.23Å; N280-G284 CarbonylContact O-C 3.53Å; N280-G284 VanDerWaalsContact O-CA 3.25Å; N280-G284 WeakPolarHBondContact O-CA 3.48Å; N280-G284 PolarHBondContact O-N 3.26Å; N280-N286 VanDerWaalsContact O-CB 3.27Å; N280-N286 WeakPolarHBondContact O-CB 3.37Å
281T96.3Very high97Very high57 Ų5720 Ų2035%0.3512%0.116SC..SBendtrans-99.2-24.9-179.857.20000113.6K141 K279 N286 Q287K141-T281 VanDerWaalsContact CD-O 3.25Å; K141-T281 WeakPolarHBondContact CD-O 3.33Å; K141-T281 WeakPolarHBondContact CE-O 3.3Å; K141-T281 PolarHBondContact NZ-O 3.5Å; K279-T281 PolarHBondContact O-N 2.81Å; T281-N286 WeakPolarHBondContact CA-O 3.29Å; T281-N286 HydrophobicContact CG2-CB 4.05Å; T281-Q287 HydrophobicContact CG2-CB 4.09Å; T281-Q287 HydrophobicContact CG2-CG 4.18Å
282A93.6Very high96.8Very high34 Ų3423 Ų2328%0.28113%0.131SC..SBendtrans-82.3-31.9-175.700000113.2I157I157-A282 HydrophobicContact CD1-CB 4.01Å; I157-A282 HydrophobicContact CG1-CB 4.3Å; I157-A282 HydrophobicContact CG2-CB 3.84Å
283D94.3Very high96.5Very high5 Ų524.1 Ų24.13%0.02714%0.143CC..SBendtrans-133.7-0.1-176.755.71.7000114.2I157 Y158 N280I157-D283 HydrophobicContact CG2-CB 4.14Å; Y158-D283 PolarHBondContact N-OD2 2.97Å; Y158-D283 VanDerWaalsContact N-OD2 3.12Å; N280-D283 WeakPolarHBondContact CB-OD1 3.41Å; N280-D283 PolarHBondContact ND2-OD1 3.23Å
284G96.3Very high96.4Very high4 Ų424.3 Ų24.34%0.04115%0.145CC..SBendtrans-107.5177.3174.400000113.2N280 N286N280-G284 CarbonylContact O-C 3.53Å; N280-G284 VanDerWaalsContact O-CA 3.25Å; N280-G284 WeakPolarHBondContact O-CA 3.48Å; N280-G284 PolarHBondContact O-N 3.26Å; G284-N286 PolarHBondContact O-N 3.49Å
285L97.9Very high96.3Very high5 Ų524.3 Ų24.33%0.02615%0.145CC..SBendtrans-70.9-15.3178.5-166.564.8000113.1P144 F241 Q287 W288 Y295 F296 F312 F322P144-L285 HydrophobicContact CB-CD1 3.57Å; P144-L285 HydrophobicContact CG-CD1 3.72Å; F241-L285 HydrophobicContact CD2-CD2 4.31Å; F241-L285 HydrophobicContact CE2-CB 4.4Å; F241-L285 HydrophobicContact CE2-CD2 4.04Å; L285-Q287 PolarHBondContact O-N 2.79Å; L285-W288 WeakPolarHBondContact O-CB 3.42Å; L285-W288 PolarHBondContact O-N 3.4Å; L285-Y295 HydrophobicContact CD1-CD1 4.48Å; L285-Y295 HydrophobicContact CD1-CD2 3.56Å; L285-Y295 HydrophobicContact CD1-CE2 3.61Å; L285-Y295 HydrophobicContact CD1-CG 4.03Å; L285-Y295 HydrophobicContact CD2-CD1 4.1Å; L285-Y295 HydrophobicContact CD2-CD2 4.16Å; L285-Y295 HydrophobicContact CD2-CG 3.78Å; L285-Y295 HydrophobicContact CG-CD2 3.81Å; L285-Y295 HydrophobicContact CG-CE2 4.37Å; L285-Y295 HydrophobicContact CG-CG 3.95Å; L285-F296 HydrophobicContact CB-CE2 4.39Å; L285-F296 HydrophobicContact CB-CZ 3.94Å; L285-F296 HydrophobicContact CD2-CE1 4.33Å; L285-F296 HydrophobicContact CD2-CZ 3.77Å; L285-F296 HydrophobicContact CG-CE2 4.19Å; L285-F296 HydrophobicContact CG-CZ 3.84Å; L285-F312 HydrophobicContact CD2-CE1 3.79Å; L285-F312 HydrophobicContact CD2-CZ 4.33Å; L285-F322 HydrophobicContact CD1-CZ 4.46Å; L285-F322 HydrophobicContact CD2-CE1 4.11Å; L285-F322 HydrophobicContact CD2-CZ 4.25Å
286N97.8Very high96.4Very high12 Ų1224.4 Ų24.46%0.06415%0.145CC..THydrogen-bonded Turntrans-64.2134.7-177.3-168.119.5000112.3K141 K279 N280 T281 G284 W288 R310K141-N286 PolarHBondContact NZ-O 3.35Å; K141-N286 VanDerWaalsContact NZ-O 3.15Å; K279-N286 WeakPolarHBondContact O-CB 3.28Å; K279-N286 PolarHBondContact O-ND2 3.1Å; N280-N286 VanDerWaalsContact O-CB 3.27Å; N280-N286 WeakPolarHBondContact O-CB 3.37Å; T281-N286 WeakPolarHBondContact CA-O 3.29Å; T281-N286 HydrophobicContact CG2-CB 4.05Å; G284-N286 PolarHBondContact O-N 3.49Å; N286-W288 PolarHBondContact O-N 3.25Å; N286-W288 VanDerWaalsContact O-N 3.11Å; N286-R310 HydrophobicContact CB-CG 4.16Å; N286-R310 PolarHBondContact OD1-NH1 3.26Å
287Q96.8Very high96.3Very high67 Ų6725.1 Ų25.131%0.31315%0.148SC..THydrogen-bonded Turntrans50.634.3-178.5-62.4175.76.500113.6K141 T281 L285 D289 G290 T291 N292K141-Q287 WeakPolarHBondContact CE-O 3.41Å; K141-Q287 PolarHBondContact NZ-O 3Å; T281-Q287 HydrophobicContact CG2-CB 4.09Å; T281-Q287 HydrophobicContact CG2-CG 4.18Å; L285-Q287 PolarHBondContact O-N 2.79Å; Q287-D289 PolarHBondContact O-N 3.07Å; Q287-G290 PolarHBondContact O-N 2.86Å; Q287-T291 VanDerWaalsContact CA-O 3.28Å; Q287-T291 WeakPolarHBondContact CA-O 3.22Å; Q287-N292 VanDerWaalsContact CG-OD1 3.3Å; Q287-N292 WeakPolarHBondContact CG-OD1 3.26Å; Q287-N292 PolarHBondContact NE2-OD1 3.35Å
288W97.3Very high96.1Very high2 Ų230.5 Ų30.51%0.00818%0.177CC..THydrogen-bonded Turntrans-49.7-52.4-176.2161.6-114000112.4E76 W77 V130 K141 V142 P144 L285 N286 G290 Y295E76-W288 HydrophobicContact CB-CZ2 4.16Å; E76-W288 HydrophobicContact CG-CZ2 4.02Å; W77-W288 PolarHBondContact O-NE1 2.71Å; V130-W288 HydrophobicContact CB-CH2 3.7Å; V130-W288 HydrophobicContact CB-CZ3 4.27Å; V130-W288 HydrophobicContact CG1-CH2 3.86Å; V130-W288 HydrophobicContact CG1-CZ2 4.44Å; V130-W288 HydrophobicContact CG2-CH2 3.95Å; K141-W288 HydrophobicContact CB-CE3 3.56Å; K141-W288 HydrophobicContact CB-CH2 4.35Å; K141-W288 HydrophobicContact CB-CZ3 3.26Å; K141-W288 HydrophobicContact CG-CE3 4.07Å; K141-W288 HydrophobicContact CG-CZ3 4.19Å; V142-W288 VanDerWaalsContact C-CZ3 3.48Å; V142-W288 WeakPolarHBondContact O-CZ3 3.47Å; P144-W288 VanDerWaalsContact CD-CH2 3.49Å; P144-W288 HydrophobicContact CG-CD2 3.63Å; P144-W288 HydrophobicContact CG-CE3 4.16Å; P144-W288 HydrophobicContact CG-CG 3.88Å; P144-W288 HydrophobicContact CG-CZ2 4.01Å; L285-W288 WeakPolarHBondContact O-CB 3.42Å; L285-W288 PolarHBondContact O-N 3.4Å; N286-W288 PolarHBondContact O-N 3.25Å; N286-W288 VanDerWaalsContact O-N 3.11Å; W288-G290 VanDerWaalsContact C-N 3.27Å; W288-G290 PolarHBondContact O-N 2.85Å; W288-Y295 AromaticContact CD1-CE2 3.74Å; W288-Y295 HydrophobicContact CG-CE2 4.31Å
289D97.2Very high95.8Very high1 Ų135.5 Ų35.51%0.00520%0.203CC..THydrogen-bonded Turntrans-9015.8-179.973.4-12.6000113.8A78 P79 G80 A81 Q287 T291 C294A78-D289 HydrophobicContact CB-CB 3.7Å; P79-D289 WeakPolarHBondContact CD-OD2 3.29Å; G80-D289 VanDerWaalsContact CA-OD2 3.28Å; G80-D289 WeakPolarHBondContact CA-OD2 3.34Å; G80-D289 PolarHBondContact N-OD2 2.92Å; A81-D289 HydrophobicContact CB-CB 4.34Å; Q287-D289 PolarHBondContact O-N 3.07Å; D289-T291 VanDerWaalsContact C-N 3.28Å; D289-T291 PolarHBondContact O-N 3.3Å; D289-T291 WeakPolarHBondContact OD1-CB 3.41Å; D289-T291 PolarHBondContact OD1-N 3.4Å; D289-T291 PolarHBondContact OD1-OG1 3.2Å; D289-T291 PolarHBondContact OD2-OG1 2.9Å; D289-C294 WeakPolarHBondContact OD1-CB 3.45Å
290G95.9Very high95.5Very high22 Ų2235.7 Ų35.723%0.22722%0.221CC..SBendtrans80.9-1.1-173.600000114.6Q287 W288Q287-G290 PolarHBondContact O-N 2.86Å; W288-G290 VanDerWaalsContact C-N 3.27Å; W288-G290 PolarHBondContact O-N 2.85Å
291T95.7Very high95.4Very high39 Ų3937.3 Ų37.324%0.23922%0.223CC..SBendtrans-113159.8178.178.90000112.5Q287 D289 G293Q287-T291 VanDerWaalsContact CA-O 3.28Å; Q287-T291 WeakPolarHBondContact CA-O 3.22Å; D289-T291 VanDerWaalsContact C-N 3.28Å; D289-T291 PolarHBondContact O-N 3.3Å; D289-T291 WeakPolarHBondContact OD1-CB 3.41Å; D289-T291 PolarHBondContact OD1-N 3.4Å; D289-T291 PolarHBondContact OD1-OG1 3.2Å; D289-T291 PolarHBondContact OD2-OG1 2.9Å; T291-G293 VanDerWaalsContact C-N 3.32Å; T291-G293 PolarHBondContact O-N 3.22Å; T291-G293 PolarHBondContact OG1-N 3.41Å
292N93.9Very high95.3Very high69 Ų6934.6 Ų34.637%0.36921%0.206SC..SBendtrans-76.9-15.6175.3-76.3-28.9000113.8Q287 N298 R310Q287-N292 VanDerWaalsContact CG-OD1 3.3Å; Q287-N292 WeakPolarHBondContact CG-OD1 3.26Å; Q287-N292 PolarHBondContact NE2-OD1 3.35Å; N292-N298 VanDerWaalsContact CB-OD1 3.24Å; N292-N298 WeakPolarHBondContact CB-OD1 3.25Å; N292-R310 PolarHBondContact O-NH1 3.3Å; N292-R310 PolarHBondContact O-NH2 3.09Å
293G91.1Very high95.4Very high24 Ų2436.4 Ų36.425%0.24721%0.208CC..SBendtrans-107.21.2-163.100000117.3T291 F296 N298T291-G293 VanDerWaalsContact C-N 3.32Å; T291-G293 PolarHBondContact O-N 3.22Å; T291-G293 PolarHBondContact OG1-N 3.41Å; G293-F296 CarbonylContact C-O 3.51Å; G293-F296 VanDerWaalsContact C-O 3.22Å; G293-F296 WeakPolarHBondContact CA-O 2.94Å; G293-N298 PolarHBondContact N-OD1 3.16Å
294C96.6Very high95.3Very high9 Ų936.2 Ų36.26%0.06121%0.207CC..SBendtrans-58.5-80.7-175.8177.50000112.8W77 D289 F296W77-C294 VanDerWaalsContact CH2-O 3.3Å; W77-C294 WeakPolarHBondContact CH2-O 3.35Å; W77-C294 VanDerWaalsContact CZ3-SG 3.56Å; D289-C294 WeakPolarHBondContact OD1-CB 3.45Å; C294-F296 VanDerWaalsContact C-N 3.29Å
295Y98.3Very high95Very high2 Ų242.5 Ų42.51%0.00824%0.239CC..SBendtrans-80.8-11.5176.8-72.9-87.7000113.6W77 P144 L285 W288 F312 N313 V319 F322W77-Y295 HydrophobicContact CE3-CE1 4Å; W77-Y295 HydrophobicContact CE3-CE2 4.06Å; W77-Y295 AromaticContact CE3-CZ 3.76Å; W77-Y295 HydrophobicContact CZ3-CD1 4.12Å; W77-Y295 HydrophobicContact CZ3-CD2 4.34Å; W77-Y295 HydrophobicContact CZ3-CE1 4.06Å; W77-Y295 HydrophobicContact CZ3-CE2 4.28Å; W77-Y295 HydrophobicContact CZ3-CG 4.26Å; P144-Y295 HydrophobicContact CB-CE2 4.23Å; P144-Y295 WeakPolarHBondContact CB-OH 3.38Å; P144-Y295 HydrophobicContact CG-CE2 3.86Å; L285-Y295 HydrophobicContact CD1-CD1 4.48Å; L285-Y295 HydrophobicContact CD1-CD2 3.56Å; L285-Y295 HydrophobicContact CD1-CE2 3.61Å; L285-Y295 HydrophobicContact CD1-CG 4.03Å; L285-Y295 HydrophobicContact CD2-CD1 4.1Å; L285-Y295 HydrophobicContact CD2-CD2 4.16Å; L285-Y295 HydrophobicContact CD2-CG 3.78Å; L285-Y295 HydrophobicContact CG-CD2 3.81Å; L285-Y295 HydrophobicContact CG-CE2 4.37Å; L285-Y295 HydrophobicContact CG-CG 3.95Å; W288-Y295 AromaticContact CD1-CE2 3.74Å; W288-Y295 HydrophobicContact CG-CE2 4.31Å; Y295-F312 WeakPolarHBondContact O-CA 3.39Å; Y295-N313 PolarHBondContact O-N 3.4Å; Y295-V319 HydrophobicContact CD1-CG2 4.02Å; Y295-F322 HydrophobicContact CD1-CD1 4.41Å; Y295-F322 HydrophobicContact CD1-CG 4.35Å; Y295-F322 HydrophobicContact CE1-CB 3.93Å; Y295-F322 HydrophobicContact CE1-CD1 4.24Å; Y295-F322 AromaticContact CE1-CD2 3.87Å; Y295-F322 HydrophobicContact CE1-CD2 3.87Å; Y295-F322 HydrophobicContact CE1-CE2 4.4Å; Y295-F322 AromaticContact CE1-CG 3.76Å; Y295-F322 HydrophobicContact CE1-CG 3.76Å
296F98.3Very high94.6Very high3 Ų347.8 Ų47.81%0.01327%0.267CS..BIsolated β-bridgetrans-124.1162.4-166-52.2-64.2000111.4A277 L285 G293 C294 N298 R310 L311 F312A277-F296 HydrophobicContact CB-CE1 3.59Å; A277-F296 HydrophobicContact CB-CZ 3.66Å; L285-F296 HydrophobicContact CB-CE2 4.39Å; L285-F296 HydrophobicContact CB-CZ 3.94Å; L285-F296 HydrophobicContact CD2-CE1 4.33Å; L285-F296 HydrophobicContact CD2-CZ 3.77Å; L285-F296 HydrophobicContact CG-CE2 4.19Å; L285-F296 HydrophobicContact CG-CZ 3.84Å; G293-F296 CarbonylContact C-O 3.51Å; G293-F296 VanDerWaalsContact C-O 3.22Å; G293-F296 WeakPolarHBondContact CA-O 2.94Å; C294-F296 VanDerWaalsContact C-N 3.29Å; F296-N298 PolarHBondContact O-N 3.4Å; F296-R310 VanDerWaalsContact CB-NH2 3.33Å; F296-R310 HydrophobicContact CD1-CB 3.63Å; F296-R310 HydrophobicContact CD2-CB 4.1Å; F296-R310 HydrophobicContact CD2-CG 4.36Å; F296-R310 HydrophobicContact CE1-CB 3.67Å; F296-R310 HydrophobicContact CE2-CB 4.14Å; F296-R310 HydrophobicContact CE2-CG 4.36Å; F296-R310 HydrophobicContact CG-CB 3.84Å; F296-R310 HydrophobicContact CZ-CB 3.91Å; F296-R310 HydrophobicContact CZ-CG 4.5Å; F296-L311 VanDerWaalsContact CA-O 3.24Å; F296-L311 WeakPolarHBondContact CA-O 3.26Å; F296-L311 VanDerWaalsContact CB-O 3.28Å; F296-L311 WeakPolarHBondContact CB-O 3.44Å; F296-L311 WeakPolarHBondContact CD1-O 3.23Å; F296-F312 HydrophobicContact CD1-CD1 4.21Å; F296-F312 AromaticContact CE1-CD1 3.98Å; F296-F312 HydrophobicContact CE1-CD1 3.98Å; F296-F312 AromaticContact CE1-CE1 3.91Å; F296-F312 HydrophobicContact CE1-CE1 3.91Å; F296-F312 HydrophobicContact CE1-CG 4.48Å; F296-F312 HydrophobicContact CE1-CZ 4.35Å
297H96.9Very high94.3Very high22 Ų2251.2 Ų51.210%0.10228%0.279CS..  trans-63140.3165.2-66.5-69.6000110.4R301 G302 R310 L311 F312 N313H297-R301 HydrophobicContact CB-CB 4.14Å; H297-R301 HydrophobicContact CB-CG 4.38Å; H297-R301 PolarHBondContact NE2-NE 3.21Å; H297-G302 WeakPolarHBondContact O-CA 3.49Å; H297-R310 PolarHBondContact O-NH2 3.21Å; H297-L311 PolarHBondContact N-O 3.38Å; H297-L311 VanDerWaalsContact N-O 3.15Å; H297-F312 PolarHBondContact CD2-O 3.22Å; H297-F312 VanDerWaalsContact CD2-O 3.25Å; H297-F312 PolarHBondContact NE2-O 3.23Å; H297-N313 PolarHBondContact CE1-OD1 2.82Å; H297-N313 VanDerWaalsContact CE1-OD1 3.25Å
298N92.8Very high94.1Very high113 Ų11351.4 Ų51.460%0.60428%0.282SS*.SBendtrans-81.4-22.9-172.9-16732.7000113.9N292 G293 F296N292-N298 VanDerWaalsContact CB-OD1 3.24Å; N292-N298 WeakPolarHBondContact CB-OD1 3.25Å; G293-N298 PolarHBondContact N-OD1 3.16Å; F296-N298 PolarHBondContact O-N 3.4Å
299N91.6Very high94.1Very high112 Ų11251.3 Ų51.360%0.59928%0.282SS*.SBendtrans-102.1-165.5-176.564.510.3000111R301 G302N299-R301 PolarHBondContact O-N 3.33Å; N299-R301 VanDerWaalsContact O-N 3.08Å; N299-R301 WeakPolarHBondContact OD1-CB 3.33Å; N299-R301 PolarHBondContact OD1-N 3.3Å; N299-G302 PolarHBondContact O-N 3.38Å
300A91.4Very high94.1Very high91 Ų9152 Ų5275%0.75229%0.285SS*.G310 helixtrans-54.1-27.3178.500000114G302 F303A300-G302 PolarHBondContact O-N 3.3Å; A300-G302 VanDerWaalsContact O-N 3.11Å; A300-F303 PolarHBondContact O-N 3.38Å
301R93.2Very high94.2Very high90 Ų9051.6 Ų51.634%0.3428%0.277SS..G310 helixtrans-60.9-20.8174-172.4178.2175-169.7-6.4112.5H297 N299 F303 L311 D371 D373H297-R301 HydrophobicContact CB-CB 4.14Å; H297-R301 HydrophobicContact CB-CG 4.38Å; H297-R301 PolarHBondContact NE2-NE 3.21Å; N299-R301 PolarHBondContact O-N 3.33Å; N299-R301 VanDerWaalsContact O-N 3.08Å; N299-R301 WeakPolarHBondContact OD1-CB 3.33Å; N299-R301 PolarHBondContact OD1-N 3.3Å; R301-F303 VanDerWaalsContact C-N 3.29Å; R301-F303 PolarHBondContact O-N 2.95Å; R301-L311 WeakPolarHBondContact O-CD1 3.23Å; R301-D371 IonicContact CZ-OD2 3.06Å; R301-D371 IonicContact NE-OD2 2.66Å; R301-D371 IonicContact NH2-OD1 2.7Å; R301-D371 PolarHBondContact NH2-OD1 3.08Å; R301-D371 IonicContact NH2-OD2 3.79Å; R301-D371 PolarHBondContact NH2-OD2 3.09Å; R301-D373 IonicContact CZ-OD2 3.63Å; R301-D373 IonicContact NH1-OD2 3.41Å; R301-D373 PolarHBondContact NH1-OD2 3.11Å; R301-D373 IonicContact NH2-OD2 2.94Å; R301-D373 PolarHBondContact NH2-OD2 3.08Å
302G94.9Very high94.4Very high0 Ų049.8 Ų49.80%027%0.266CS..G310 helixtrans-86.79.2-178.300000115.1H297 N299 A300 R310 L311H297-G302 WeakPolarHBondContact O-CA 3.49Å; N299-G302 PolarHBondContact O-N 3.38Å; A300-G302 PolarHBondContact O-N 3.3Å; A300-G302 VanDerWaalsContact O-N 3.11Å; G302-R310 WeakPolarHBondContact O-CA 3.47Å; G302-R310 PolarHBondContact O-NE 3.37Å; G302-L311 PolarHBondContact O-N 3.15Å
303F94.6Very high94.6Very high73 Ų7347.8 Ų47.832%0.3226%0.255SS..EExtended strand (participates in β ladder)trans-134135.6-176.1-168.9-100.1000110.9A300 R301 D305 D308 S309A300-F303 PolarHBondContact O-N 3.38Å; R301-F303 VanDerWaalsContact C-N 3.29Å; R301-F303 PolarHBondContact O-N 2.95Å; F303-D305 VanDerWaalsContact CD1-OD1 3.27Å; F303-D305 WeakPolarHBondContact CD1-OD1 3.34Å; F303-D305 WeakPolarHBondContact CE1-OD1 3.37Å; F303-D308 WeakPolarHBondContact CZ-OD1 3.28Å; F303-S309 WeakPolarHBondContact CA-O 3.43Å; F303-S309 VanDerWaalsContact CD2-O 3.29Å; F303-S309 WeakPolarHBondContact CD2-O 3.33Å
304H92.8Very high94.9Very high1 Ų147.1 Ų47.11%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-106.3101178.5-169.2-64.4000109.8L306 W307 D308 S309 L311 S346 H352H304-L306 PolarHBondContact O-N 3.07Å; H304-W307 HydrophobicContact CB-CB 4.45Å; H304-W307 AromaticContact CD2-CE3 3.62Å; H304-W307 AromaticContact CE1-CD1 3.8Å; H304-W307 AromaticContact CE1-CD2 3.29Å; H304-W307 AromaticContact CE1-CE2 3.63Å; H304-W307 AromaticContact CE1-CE3 3.71Å; H304-W307 AromaticContact CE1-CG 3.45Å; H304-W307 VanDerWaalsContact CE1-CG 3.45Å; H304-W307 AromaticContact CE1-NE1 3.88Å; H304-W307 AromaticContact CG-CE3 3.85Å; H304-W307 AromaticContact ND1-CD2 3.6Å; H304-W307 AromaticContact ND1-CE3 3.91Å; H304-W307 AromaticContact ND1-CG 3.41Å; H304-W307 PolarHBondContact ND1-N 3.29Å; H304-W307 AromaticContact NE2-CD2 3.58Å; H304-W307 AromaticContact NE2-CE2 3.88Å; H304-W307 AromaticContact NE2-CE3 3.54Å; H304-W307 AromaticContact NE2-CZ3 3.83Å; H304-W307 PolarHBondContact O-N 2.88Å; H304-D308 PolarHBondContact O-N 3.08Å; H304-S309 PolarHBondContact N-O 3.21Å; H304-S309 PolarHBondContact O-N 3.41Å; H304-L311 HydrophobicContact CB-CD1 4.14Å; H304-L311 HydrophobicContact CB-CD2 4.01Å; H304-L311 HydrophobicContact CB-CG 4.05Å; H304-S346 PolarHBondContact CD2-OG 2.9Å; H304-S346 PolarHBondContact NE2-OG 3.36Å; H304-H352 AromaticContact CD2-CD2 3.74Å; H304-H352 AromaticContact CD2-CG 3.58Å; H304-H352 AromaticContact CD2-ND1 3.88Å; H304-H352 WeakPolarHBondContact NE2-CB 3.46Å; H304-H352 AromaticContact NE2-CD2 3.91Å; H304-H352 AromaticContact NE2-CG 3.53Å
305D89.3Confident94.8Very high136 Ų13648.3 Ų48.373%0.72725%0.252SS*.THydrogen-bonded Turntrans-57-44.2-169-68.5-39.2000114.1F303 W307F303-D305 VanDerWaalsContact CD1-OD1 3.27Å; F303-D305 WeakPolarHBondContact CD1-OD1 3.34Å; F303-D305 WeakPolarHBondContact CE1-OD1 3.37Å; D305-W307 VanDerWaalsContact C-N 3.34Å; D305-W307 PolarHBondContact O-N 3.2Å
306L89.8Confident94.7Very high115 Ų11551.5 Ų51.560%0.60227%0.267SS*.THydrogen-bonded Turntrans-68.6-33-177.6-177.167.2000113H304 L354H304-L306 PolarHBondContact O-N 3.07Å; L306-L354 HydrophobicContact CB-CD1 4Å; L306-L354 HydrophobicContact CD2-CD1 4.46Å; L306-L354 HydrophobicContact CD2-CD2 3.49Å; L306-L354 VanDerWaalsContact CD2-CD2 3.49Å
307W91.4Very high94.6Very high84 Ų8452.8 Ų52.832%0.31828%0.276SS..THydrogen-bonded Turntrans-98.7-8.6-174.2-62.8-16.7000112.2Q237 H276 H304 D305 S309 S346Q237-W307 PolarHBondContact NE2-O 2.66Å; H276-W307 HydrophobicContact CB-CE3 4.45Å; H276-W307 AromaticContact CE1-CE3 3.61Å; H276-W307 AromaticContact CE1-CZ3 3.77Å; H276-W307 AromaticContact CG-CE3 3.87Å; H276-W307 AromaticContact ND1-CE3 3.42Å; H276-W307 AromaticContact ND1-CZ3 3.37Å; H276-W307 WeakPolarHBondContact ND1-CZ3 3.39Å; H304-W307 HydrophobicContact CB-CB 4.45Å; H304-W307 AromaticContact CD2-CE3 3.62Å; H304-W307 AromaticContact CE1-CD1 3.8Å; H304-W307 AromaticContact CE1-CD2 3.29Å; H304-W307 AromaticContact CE1-CE2 3.63Å; H304-W307 AromaticContact CE1-CE3 3.71Å; H304-W307 AromaticContact CE1-CG 3.45Å; H304-W307 VanDerWaalsContact CE1-CG 3.45Å; H304-W307 AromaticContact CE1-NE1 3.88Å; H304-W307 AromaticContact CG-CE3 3.85Å; H304-W307 AromaticContact ND1-CD2 3.6Å; H304-W307 AromaticContact ND1-CE3 3.91Å; H304-W307 AromaticContact ND1-CG 3.41Å; H304-W307 PolarHBondContact ND1-N 3.29Å; H304-W307 AromaticContact NE2-CD2 3.58Å; H304-W307 AromaticContact NE2-CE2 3.88Å; H304-W307 AromaticContact NE2-CE3 3.54Å; H304-W307 AromaticContact NE2-CZ3 3.83Å; H304-W307 PolarHBondContact O-N 2.88Å; D305-W307 VanDerWaalsContact C-N 3.34Å; D305-W307 PolarHBondContact O-N 3.2Å; W307-S309 VanDerWaalsContact C-N 3.3Å; W307-S309 PolarHBondContact O-N 3.32Å; W307-S309 PolarHBondContact O-OG 2.82Å; W307-S346 WeakPolarHBondContact CZ3-OG 3.37Å
308D93.9Very high94.6Very high72 Ų7252.3 Ų52.339%0.38527%0.273SS..THydrogen-bonded Turntrans56.944.6-179.1-165.913000111.8K279 F303 H304K279-D308 WeakPolarHBondContact CD-O 3.31Å; K279-D308 WeakPolarHBondContact CD-OD1 3.08Å; K279-D308 WeakPolarHBondContact CE-OD1 3.5Å; K279-D308 WeakPolarHBondContact CE-OD2 3.46Å; K279-D308 WeakPolarHBondContact CG-O 3.23Å; K279-D308 IonicContact NZ-OD1 3Å; K279-D308 PolarHBondContact NZ-OD1 3.35Å; K279-D308 IonicContact NZ-OD2 3.31Å; K279-D308 PolarHBondContact NZ-OD2 3.4Å; F303-D308 WeakPolarHBondContact CZ-OD1 3.28Å; H304-D308 PolarHBondContact O-N 3.08Å
309S96.9Very high94.9Very high0 Ų047 Ų470%025%0.245CC..EExtended strand (participates in β ladder)trans-129.8165.6-166.1-65.10000113.6Q237 H276 A277 F303 H304 W307Q237-S309 PolarHBondContact NE2-OG 2.84Å; Q237-S309 PolarHBondContact OE1-OG 3.3Å; H276-S309 WeakPolarHBondContact CD2-CB 3.4Å; H276-S309 PolarHBondContact CD2-OG 3.01Å; A277-S309 WeakPolarHBondContact O-CB 3.41Å; F303-S309 WeakPolarHBondContact CA-O 3.43Å; F303-S309 VanDerWaalsContact CD2-O 3.29Å; F303-S309 WeakPolarHBondContact CD2-O 3.33Å; H304-S309 PolarHBondContact N-O 3.21Å; H304-S309 PolarHBondContact O-N 3.41Å; W307-S309 VanDerWaalsContact C-N 3.3Å; W307-S309 PolarHBondContact O-N 3.32Å; W307-S309 PolarHBondContact O-OG 2.82Å
310R97.9Very high95.2Very high15 Ų1541.8 Ų41.86%0.05722%0.217CC..EExtended strand (participates in β ladder)trans-95.4143.3175.1-61.4-55.7-50.8-84.10.3112.2H276 A277 N286 N292 F296 H297 G302H276-R310 CarbonylContact C-O 3.55Å; H276-R310 VanDerWaalsContact CA-O 3.27Å; H276-R310 WeakPolarHBondContact CA-O 3.36Å; H276-R310 WeakPolarHBondContact CB-O 3.35Å; A277-R310 PolarHBondContact N-O 2.81Å; A277-R310 PolarHBondContact O-N 2.78Å; N286-R310 HydrophobicContact CB-CG 4.16Å; N286-R310 PolarHBondContact OD1-NH1 3.26Å; N292-R310 PolarHBondContact O-NH1 3.3Å; N292-R310 PolarHBondContact O-NH2 3.09Å; F296-R310 VanDerWaalsContact CB-NH2 3.33Å; F296-R310 HydrophobicContact CD1-CB 3.63Å; F296-R310 HydrophobicContact CD2-CB 4.1Å; F296-R310 HydrophobicContact CD2-CG 4.36Å; F296-R310 HydrophobicContact CE1-CB 3.67Å; F296-R310 HydrophobicContact CE2-CB 4.14Å; F296-R310 HydrophobicContact CE2-CG 4.36Å; F296-R310 HydrophobicContact CG-CB 3.84Å; F296-R310 HydrophobicContact CZ-CB 3.91Å; F296-R310 HydrophobicContact CZ-CG 4.5Å; H297-R310 PolarHBondContact O-NH2 3.21Å; G302-R310 WeakPolarHBondContact O-CA 3.47Å; G302-R310 PolarHBondContact O-NE 3.37Å
311L98.1Very high95.6Very high14 Ų1438 Ų387%0.07318%0.183CC..  trans-110.1128.2-179.3-64.4176.1000112.3S275 H276 F296 H297 R301 G302 H304 H352S275-L311 WeakPolarHBondContact O-CD2 3.47Å; H276-L311 HydrophobicContact CB-CD2 4.02Å; F296-L311 VanDerWaalsContact CA-O 3.24Å; F296-L311 WeakPolarHBondContact CA-O 3.26Å; F296-L311 VanDerWaalsContact CB-O 3.28Å; F296-L311 WeakPolarHBondContact CB-O 3.44Å; F296-L311 WeakPolarHBondContact CD1-O 3.23Å; H297-L311 PolarHBondContact N-O 3.38Å; H297-L311 VanDerWaalsContact N-O 3.15Å; R301-L311 WeakPolarHBondContact O-CD1 3.23Å; G302-L311 PolarHBondContact O-N 3.15Å; H304-L311 HydrophobicContact CB-CD1 4.14Å; H304-L311 HydrophobicContact CB-CD2 4.01Å; H304-L311 HydrophobicContact CB-CG 4.05Å; L311-H352 WeakPolarHBondContact CD1-CE1 3.28Å
312F98.5Very high95.8Very high1 Ų133.8 Ų33.80%0.00417%0.167CC..BIsolated β-bridgetrans-61.8147.9-177-71.4-75.4000112.7F241 H274 A277 L285 Y295 F296 H297 Y314 V319 L323F241-F312 HydrophobicContact CE1-CE2 4.13Å; F241-F312 AromaticContact CE1-CZ 3.64Å; F241-F312 HydrophobicContact CE1-CZ 3.64Å; F241-F312 HydrophobicContact CE2-CZ 4.23Å; F241-F312 HydrophobicContact CZ-CE2 4.14Å; F241-F312 AromaticContact CZ-CZ 3.51Å; F241-F312 HydrophobicContact CZ-CZ 3.51Å; H274-F312 WeakPolarHBondContact O-CD2 3.37Å; A277-F312 HydrophobicContact CB-CE2 4.46Å; A277-F312 HydrophobicContact CB-CZ 4.13Å; L285-F312 HydrophobicContact CD2-CE1 3.79Å; L285-F312 HydrophobicContact CD2-CZ 4.33Å; Y295-F312 WeakPolarHBondContact O-CA 3.39Å; F296-F312 HydrophobicContact CD1-CD1 4.21Å; F296-F312 AromaticContact CE1-CD1 3.98Å; F296-F312 HydrophobicContact CE1-CD1 3.98Å; F296-F312 AromaticContact CE1-CE1 3.91Å; F296-F312 HydrophobicContact CE1-CE1 3.91Å; F296-F312 HydrophobicContact CE1-CG 4.48Å; F296-F312 HydrophobicContact CE1-CZ 4.35Å; H297-F312 PolarHBondContact CD2-O 3.22Å; H297-F312 VanDerWaalsContact CD2-O 3.25Å; H297-F312 PolarHBondContact NE2-O 3.23Å; F312-Y314 HydrophobicContact CB-CD1 4.04Å; F312-Y314 HydrophobicContact CB-CE1 3.61Å; F312-Y314 HydrophobicContact CB-CE2 4.17Å; F312-Y314 HydrophobicContact CB-CG 4.49Å; F312-Y314 HydrophobicContact CD2-CE1 4.25Å; F312-Y314 HydrophobicContact CG-CE1 4.22Å; F312-V319 HydrophobicContact CB-CG1 4.3Å; F312-V319 HydrophobicContact CD1-CG1 4.03Å; F312-L323 HydrophobicContact CD1-CD1 4.44Å; F312-L323 HydrophobicContact CD1-CD2 4.47Å; F312-L323 HydrophobicContact CE1-CD2 4.04Å; F312-L323 HydrophobicContact CE2-CD2 4.25Å; F312-L323 HydrophobicContact CG-CD1 4.33Å; F312-L323 HydrophobicContact CZ-CD2 3.92Å
313N97.8Very high96Very high27 Ų2733.8 Ų33.814%0.14417%0.167CC..  trans-94.286.9165.7-179.68.3000109.9Y295 H297 T315 E316Y295-N313 PolarHBondContact O-N 3.4Å; H297-N313 PolarHBondContact CE1-OD1 2.82Å; H297-N313 VanDerWaalsContact CE1-OD1 3.25Å; N313-T315 PolarHBondContact O-N 3.43Å; N313-T315 PolarHBondContact OD1-N 2.88Å; N313-T315 PolarHBondContact OD1-OG1 3.5Å; N313-E316 PolarHBondContact O-N 2.77Å; N313-E316 VanDerWaalsContact O-N 3.12Å
314Y97.6Very high96.2Very high10 Ų1030.3 Ų30.34%0.03915%0.152CC..THydrogen-bonded Turntrans-63.4-8.9-177.5-55-72.1000114.5H274 S275 F312 E316 L320 L323 M347 S374 Y377H274-Y314 PolarHBondContact O-OH 3.35Å; S275-Y314 PolarHBondContact O-OH 3.19Å; F312-Y314 HydrophobicContact CB-CD1 4.04Å; F312-Y314 HydrophobicContact CB-CE1 3.61Å; F312-Y314 HydrophobicContact CB-CE2 4.17Å; F312-Y314 HydrophobicContact CB-CG 4.49Å; F312-Y314 HydrophobicContact CD2-CE1 4.25Å; F312-Y314 HydrophobicContact CG-CE1 4.22Å; Y314-E316 VanDerWaalsContact C-N 3.33Å; Y314-L320 WeakPolarHBondContact O-CD2 3.43Å; Y314-L320 WeakPolarHBondContact O-CG 3.46Å; Y314-L323 HydrophobicContact CD1-CD1 3.82Å; Y314-L323 HydrophobicContact CE1-CD1 3.74Å; Y314-M347 HydrophobicContact CE1-CE 4.13Å; Y314-S374 WeakPolarHBondContact CD2-OG 3.47Å; Y314-S374 WeakPolarHBondContact CE2-OG 3.36Å; Y314-Y377 AromaticContact CD1-CD1 3.79Å; Y314-Y377 HydrophobicContact CD1-CD1 3.79Å; Y314-Y377 HydrophobicContact CD1-CD2 4.4Å; Y314-Y377 AromaticContact CD1-CG 3.72Å; Y314-Y377 HydrophobicContact CD1-CG 3.72Å; Y314-Y377 AromaticContact CE1-CD1 3.81Å; Y314-Y377 HydrophobicContact CE1-CD1 3.81Å; Y314-Y377 HydrophobicContact CE1-CE1 4.28Å; Y314-Y377 HydrophobicContact CE1-CG 4.22Å; Y314-Y377 HydrophobicContact CG-CG 4.44Å
315T95.4Very high96.5Very high33 Ų3330.2 Ų30.220%0.20215%0.152CC..THydrogen-bonded Turntrans-78.9-19.1176.572.50000113.5M1 N313 D373M1-T315 HydrophobicContact CE-CG2 4.08Å; N313-T315 PolarHBondContact O-N 3.43Å; N313-T315 PolarHBondContact OD1-N 2.88Å; N313-T315 PolarHBondContact OD1-OG1 3.5Å; T315-D373 HydrophobicContact CG2-CB 3.77Å; T315-D373 VanDerWaalsContact CG2-OD1 3.28Å; T315-D373 WeakPolarHBondContact CG2-OD1 3.49Å; T315-D373 WeakPolarHBondContact CG2-OD2 3.22Å
316E95.9Very high97Very high69 Ų6923.8 Ų23.832%0.32212%0.117SC..SBendtrans-81.3135.7-173.9-173.350.1-111.200111.6W77 N313 Y314 E318 V319 L320W77-E316 HydrophobicContact CH2-CG 3.6Å; W77-E316 HydrophobicContact CZ2-CG 3.91Å; N313-E316 PolarHBondContact O-N 2.77Å; N313-E316 VanDerWaalsContact O-N 3.12Å; Y314-E316 VanDerWaalsContact C-N 3.33Å; E316-E318 PolarHBondContact O-N 3.11Å; E316-V319 HydrophobicContact CB-CB 4.07Å; E316-V319 HydrophobicContact CB-CG2 3.76Å; E316-V319 HydrophobicContact CG-CG2 4.08Å; E316-V319 PolarHBondContact O-N 3.43Å; E316-L320 WeakPolarHBondContact O-CG 3.47Å; E316-L320 PolarHBondContact O-N 2.97Å
317T96.1Very high97.4Very high31 Ų3118.3 Ų18.319%0.199%0.088CC..Hα-helixtrans-68.4-38.7-171.2-570000111.4F55 V319 L320 R321F55-T317 HydrophobicContact CE2-CG2 4.06Å; F55-T317 HydrophobicContact CZ-CG2 4.24Å; T317-V319 VanDerWaalsContact C-N 3.34Å; T317-L320 PolarHBondContact O-N 3.41Å; T317-R321 PolarHBondContact O-N 3.41Å
318E97.7Very high97.7Very high12 Ų1214.9 Ų14.96%0.0568%0.075CC..Hα-helixtrans-74.1-26178.1-62.7-56.3141.300112.7W77 R107 E316 R321 F322W77-E318 HydrophobicContact CD2-CB 3.42Å; W77-E318 VanDerWaalsContact CD2-CB 3.42Å; W77-E318 HydrophobicContact CD2-CG 3.71Å; W77-E318 HydrophobicContact CE3-CB 3.56Å; W77-E318 HydrophobicContact CE3-CG 4.36Å; W77-E318 HydrophobicContact CG-CB 3.96Å; W77-E318 HydrophobicContact CG-CG 3.82Å; W77-E318 HydrophobicContact CH2-CB 4.01Å; W77-E318 HydrophobicContact CZ2-CB 3.88Å; W77-E318 HydrophobicContact CZ2-CG 4.17Å; W77-E318 HydrophobicContact CZ3-CB 3.85Å; R107-E318 IonicContact CZ-OE1 3.62Å; R107-E318 IonicContact NE-OE1 3.04Å; R107-E318 PolarHBondContact NE-OE1 3.39Å; R107-E318 IonicContact NH2-OE1 3.53Å; R107-E318 PolarHBondContact NH2-OE1 3.1Å; E316-E318 PolarHBondContact O-N 3.11Å; E318-R321 PolarHBondContact O-N 2.87Å; E318-R321 IonicContact OE1-CZ 2.74Å; E318-R321 IonicContact OE1-NE 3.66Å; E318-R321 PolarHBondContact OE1-NE 3.37Å; E318-R321 IonicContact OE1-NH2 3.34Å; E318-R321 PolarHBondContact OE1-NH2 3.21Å; E318-R321 IonicContact OE2-CZ 3.54Å; E318-R321 IonicContact OE2-NE 3.87Å; E318-R321 PolarHBondContact OE2-NE 3.26Å; E318-R321 IonicContact OE2-NH2 3.16Å; E318-F322 VanDerWaalsContact O-CB 3.22Å; E318-F322 WeakPolarHBondContact O-CB 3.49Å; E318-F322 PolarHBondContact O-N 3.3Å
319V98.4Very high98Very high0 Ų012.4 Ų12.40%06%0.061CC..Hα-helixtrans-69.2-45.3170.2177.80000110.3W77 Y295 F312 E316 T317 R321 F322 L323W77-V319 HydrophobicContact CZ3-CG2 4.33Å; Y295-V319 HydrophobicContact CD1-CG2 4.02Å; F312-V319 HydrophobicContact CB-CG1 4.3Å; F312-V319 HydrophobicContact CD1-CG1 4.03Å; E316-V319 HydrophobicContact CB-CB 4.07Å; E316-V319 HydrophobicContact CB-CG2 3.76Å; E316-V319 HydrophobicContact CG-CG2 4.08Å; E316-V319 PolarHBondContact O-N 3.43Å; T317-V319 VanDerWaalsContact C-N 3.34Å; V319-R321 VanDerWaalsContact C-N 3.32Å; V319-R321 PolarHBondContact O-N 3.23Å; V319-F322 WeakPolarHBondContact O-CB 3.39Å; V319-F322 PolarHBondContact O-N 3.45Å; V319-L323 HydrophobicContact CG1-CD1 3.88Å; V319-L323 HydrophobicContact CG1-CG 4.31Å; V319-L323 WeakPolarHBondContact O-CG 3.24Å; V319-L323 PolarHBondContact O-N 3.33Å
320L98.4Very high98.1Very high3 Ų312.4 Ų12.42%0.0166%0.061CC..Hα-helixtrans-59.1-43.8172.9-69.5175.6000111.4F55 Y314 E316 T317 F322 L324 Y377 L380F55-L320 HydrophobicContact CE1-CB 4.1Å; F55-L320 HydrophobicContact CZ-CB 4.06Å; Y314-L320 WeakPolarHBondContact O-CD2 3.43Å; Y314-L320 WeakPolarHBondContact O-CG 3.46Å; E316-L320 WeakPolarHBondContact O-CG 3.47Å; E316-L320 PolarHBondContact O-N 2.97Å; T317-L320 PolarHBondContact O-N 3.41Å; L320-F322 VanDerWaalsContact C-N 3.34Å; L320-F322 PolarHBondContact O-N 3.03Å; L320-L324 WeakPolarHBondContact O-CB 3.48Å; L320-L324 VanDerWaalsContact O-CG 3.23Å; L320-L324 WeakPolarHBondContact O-CG 3.39Å; L320-L324 PolarHBondContact O-N 3.17Å; L320-Y377 HydrophobicContact CD2-CD2 3.83Å; L320-Y377 HydrophobicContact CD2-CG 4.5Å; L320-L380 HydrophobicContact CD1-CD1 4.23Å; L320-L380 HydrophobicContact CD2-CD1 4.14Å
321R98.5Very high98.1Very high13 Ų1311.8 Ų11.85%0.0496%0.058CC..Hα-helixtrans-59.7-47.3176.5-167.9-168.4-51.4-75.1-8.9110.7E49 F55 T317 E318 V319 S325E49-R321 IonicContact OE1-CZ 4Å; E49-R321 IonicContact OE1-NH1 3.33Å; E49-R321 IonicContact OE1-NH2 2.72Å; E49-R321 PolarHBondContact OE1-NH2 3.46Å; E49-R321 IonicContact OE2-CZ 3.67Å; E49-R321 IonicContact OE2-NH1 3.39Å; E49-R321 PolarHBondContact OE2-NH1 3.47Å; E49-R321 IonicContact OE2-NH2 3.94Å; E49-R321 PolarHBondContact OE2-NH2 3.15Å; E49-R321 VanDerWaalsContact OE2-NH2 3.11Å; F55-R321 HydrophobicContact CD2-CG 4.33Å; F55-R321 VanDerWaalsContact CD2-NH1 3.33Å; F55-R321 HydrophobicContact CE1-CB 4.24Å; F55-R321 HydrophobicContact CE2-CB 3.77Å; F55-R321 HydrophobicContact CE2-CG 4.06Å; F55-R321 VanDerWaalsContact CZ-CA 3.49Å; F55-R321 HydrophobicContact CZ-CB 3.63Å; F55-R321 HydrophobicContact CZ-CG 4.29Å; T317-R321 PolarHBondContact O-N 3.41Å; E318-R321 PolarHBondContact O-N 2.87Å; E318-R321 IonicContact OE1-CZ 2.74Å; E318-R321 IonicContact OE1-NE 3.66Å; E318-R321 PolarHBondContact OE1-NE 3.37Å; E318-R321 IonicContact OE1-NH2 3.34Å; E318-R321 PolarHBondContact OE1-NH2 3.21Å; E318-R321 IonicContact OE2-CZ 3.54Å; E318-R321 IonicContact OE2-NE 3.87Å; E318-R321 PolarHBondContact OE2-NE 3.26Å; E318-R321 IonicContact OE2-NH2 3.16Å; V319-R321 VanDerWaalsContact C-N 3.32Å; V319-R321 PolarHBondContact O-N 3.23Å; R321-S325 WeakPolarHBondContact O-CB 3.45Å; R321-S325 PolarHBondContact O-N 2.83Å; R321-S325 PolarHBondContact O-OG 3Å
322F98.8Very high98.1Very high0 Ų015 Ų150%07%0.073CC..Hα-helixtrans-58.2-55.9179.6-179.1-98.3000111.8P144 W145 F241 F242 L285 Y295 E318 V319 L320 S325 N326P144-F322 HydrophobicContact CB-CD2 4.4Å; P144-F322 HydrophobicContact CB-CE2 3.67Å; P144-F322 HydrophobicContact CB-CZ 4.35Å; P144-F322 VanDerWaalsContact O-CE2 3.29Å; P144-F322 WeakPolarHBondContact O-CE2 3.32Å; W145-F322 HydrophobicContact CD2-CD2 4.21Å; W145-F322 HydrophobicContact CD2-CE2 4.46Å; W145-F322 AromaticContact CE2-CD2 3.79Å; W145-F322 HydrophobicContact CH2-CB 4.4Å; W145-F322 HydrophobicContact CH2-CD2 4.2Å; W145-F322 HydrophobicContact CZ2-CB 4.24Å; W145-F322 AromaticContact CZ2-CD2 3.8Å; W145-F322 HydrophobicContact CZ2-CD2 3.8Å; F241-F322 HydrophobicContact CB-CE1 3.88Å; F241-F322 HydrophobicContact CB-CZ 3.66Å; F241-F322 HydrophobicContact CD1-CE1 4.11Å; F241-F322 HydrophobicContact CD2-CE1 4.01Å; F241-F322 AromaticContact CD2-CZ 3.95Å; F241-F322 HydrophobicContact CD2-CZ 3.95Å; F241-F322 AromaticContact CG-CE1 3.71Å; F241-F322 HydrophobicContact CG-CE1 3.71Å; F241-F322 AromaticContact CG-CZ 3.83Å; F241-F322 HydrophobicContact CG-CZ 3.83Å; F242-F322 AromaticContact CD2-CE2 3.95Å; F242-F322 HydrophobicContact CD2-CE2 3.95Å; F242-F322 HydrophobicContact CD2-CZ 4.2Å; F242-F322 AromaticContact CE2-CD2 3.74Å; F242-F322 HydrophobicContact CE2-CD2 3.74Å; F242-F322 HydrophobicContact CE2-CE1 4.44Å; F242-F322 AromaticContact CE2-CE2 3.46Å; F242-F322 HydrophobicContact CE2-CE2 3.46Å; F242-F322 VanDerWaalsContact CE2-CE2 3.46Å; F242-F322 HydrophobicContact CE2-CG 4.36Å; F242-F322 AromaticContact CE2-CZ 3.86Å; F242-F322 HydrophobicContact CE2-CZ 3.86Å; F242-F322 WeakPolarHBondContact CZ-O 3.41Å; L285-F322 HydrophobicContact CD1-CZ 4.46Å; L285-F322 HydrophobicContact CD2-CE1 4.11Å; L285-F322 HydrophobicContact CD2-CZ 4.25Å; Y295-F322 HydrophobicContact CD1-CD1 4.41Å; Y295-F322 HydrophobicContact CD1-CG 4.35Å; Y295-F322 HydrophobicContact CE1-CB 3.93Å; Y295-F322 HydrophobicContact CE1-CD1 4.24Å; Y295-F322 AromaticContact CE1-CD2 3.87Å; Y295-F322 HydrophobicContact CE1-CD2 3.87Å; Y295-F322 HydrophobicContact CE1-CE2 4.4Å; Y295-F322 AromaticContact CE1-CG 3.76Å; Y295-F322 HydrophobicContact CE1-CG 3.76Å; E318-F322 VanDerWaalsContact O-CB 3.22Å; E318-F322 WeakPolarHBondContact O-CB 3.49Å; E318-F322 PolarHBondContact O-N 3.3Å; V319-F322 WeakPolarHBondContact O-CB 3.39Å; V319-F322 PolarHBondContact O-N 3.45Å; L320-F322 VanDerWaalsContact C-N 3.34Å; L320-F322 PolarHBondContact O-N 3.03Å; F322-S325 PolarHBondContact O-N 2.78Å; F322-N326 WeakPolarHBondContact O-CB 3.36Å; F322-N326 PolarHBondContact O-N 2.72Å
323L98.8Very high98.1Very high0 Ų017.7 Ų17.70%09%0.086CC..Hα-helixtrans-69.6-41.1-175.3-62175.7000112.5H274 F312 Y314 V319 N326 L327 Y377H274-L323 HydrophobicContact CB-CD2 4.4Å; H274-L323 PolarHBondContact CE1-O 2.76Å; F312-L323 HydrophobicContact CD1-CD1 4.44Å; F312-L323 HydrophobicContact CD1-CD2 4.47Å; F312-L323 HydrophobicContact CE1-CD2 4.04Å; F312-L323 HydrophobicContact CE2-CD2 4.25Å; F312-L323 HydrophobicContact CG-CD1 4.33Å; F312-L323 HydrophobicContact CZ-CD2 3.92Å; Y314-L323 HydrophobicContact CD1-CD1 3.82Å; Y314-L323 HydrophobicContact CE1-CD1 3.74Å; V319-L323 HydrophobicContact CG1-CD1 3.88Å; V319-L323 HydrophobicContact CG1-CG 4.31Å; V319-L323 WeakPolarHBondContact O-CG 3.24Å; V319-L323 PolarHBondContact O-N 3.33Å; L323-N326 WeakPolarHBondContact O-CB 3.47Å; L323-N326 PolarHBondContact O-N 3.29Å; L323-L327 PolarHBondContact O-N 2.94Å; L323-Y377 HydrophobicContact CB-CE2 3.59Å; L323-Y377 HydrophobicContact CD1-CD2 4.34Å; L323-Y377 HydrophobicContact CD1-CE1 4.39Å; L323-Y377 HydrophobicContact CD1-CE2 3.98Å; L323-Y377 HydrophobicContact CG-CE2 4.46Å
324L98.8Very high98.1Very high0 Ų016.4 Ų16.40%08%0.079CC..Hα-helixtrans-70.8-34.2177.9-66.5176.3000112.1F55 T56 L320 N326 L327 R328 Y377 L380 A381F55-L324 HydrophobicContact CD1-CD1 4.06Å; F55-L324 HydrophobicContact CE1-CD1 3.8Å; T56-L324 HydrophobicContact CG2-CB 4.06Å; L320-L324 WeakPolarHBondContact O-CB 3.48Å; L320-L324 VanDerWaalsContact O-CG 3.23Å; L320-L324 WeakPolarHBondContact O-CG 3.39Å; L320-L324 PolarHBondContact O-N 3.17Å; L324-N326 VanDerWaalsContact C-N 3.29Å; L324-L327 HydrophobicContact CD2-CD1 4.32Å; L324-R328 PolarHBondContact O-N 2.98Å; L324-Y377 HydrophobicContact CD2-CE2 4Å; L324-Y377 HydrophobicContact CG-CE2 4.32Å; L324-L380 HydrophobicContact CD1-CB 4.35Å; L324-L380 HydrophobicContact CD2-CB 4.48Å; L324-A381 VanDerWaalsContact CD2-CA 3.49Å; L324-A381 HydrophobicContact CD2-CB 3.95Å
325S98.9Very high98.2Very high0 Ų018.3 Ų18.30%09%0.088CC..Hα-helixtrans-70.6-28.7171.8-57.50000112.3F55 T56 G58 Y59 R321 F322 R328 W329F55-S325 PolarHBondContact O-OG 2.9Å; T56-S325 VanDerWaalsContact O-CA 3.23Å; T56-S325 WeakPolarHBondContact O-CA 3.39Å; T56-S325 WeakPolarHBondContact O-CB 3.4Å; T56-S325 PolarHBondContact O-OG 2.84Å; G58-S325 WeakPolarHBondContact CA-OG 3.42Å; G58-S325 PolarHBondContact N-OG 2.93Å; Y59-S325 WeakPolarHBondContact CD1-O 3.47Å; R321-S325 WeakPolarHBondContact O-CB 3.45Å; R321-S325 PolarHBondContact O-N 2.83Å; R321-S325 PolarHBondContact O-OG 3Å; F322-S325 PolarHBondContact O-N 2.78Å; S325-R328 PolarHBondContact O-N 2.89Å; S325-W329 VanDerWaalsContact O-CB 3.25Å; S325-W329 WeakPolarHBondContact O-CB 3.47Å; S325-W329 PolarHBondContact O-N 3.1Å
326N98.9Very high98.3Very high0 Ų016.7 Ų16.70%08%0.078CC..Hα-helixtrans-64.4-44.8175.2-170.6-103000111.7M226 F241 F242 H274 F322 L323 L324 R328 W329 W330M226-N326 WeakPolarHBondContact CE-OD1 3.37Å; F241-N326 PolarHBondContact O-ND2 3.18Å; F242-N326 HydrophobicContact CE1-CB 4.17Å; F242-N326 HydrophobicContact CE2-CB 4Å; F242-N326 VanDerWaalsContact CZ-CA 3.49Å; F242-N326 HydrophobicContact CZ-CB 3.67Å; H274-N326 PolarHBondContact NE2-OD1 2.94Å; H274-N326 VanDerWaalsContact NE2-OD1 3.15Å; F322-N326 WeakPolarHBondContact O-CB 3.36Å; F322-N326 PolarHBondContact O-N 2.72Å; L323-N326 WeakPolarHBondContact O-CB 3.47Å; L323-N326 PolarHBondContact O-N 3.29Å; L324-N326 VanDerWaalsContact C-N 3.29Å; N326-R328 VanDerWaalsContact C-N 3.35Å; N326-R328 PolarHBondContact O-N 3.27Å; N326-W329 WeakPolarHBondContact O-CB 3.26Å; N326-W329 PolarHBondContact O-N 2.8Å; N326-W330 PolarHBondContact ND2-NE1 3.31Å; N326-W330 PolarHBondContact O-N 2.97Å; N326-W330 PolarHBondContact OD1-NE1 3.33Å; N326-W330 VanDerWaalsContact OD1-NE1 3.07Å
327L98.9Very high98.5Very high0 Ų014 Ų140%07%0.066CC..Hα-helixtrans-56.7-50.4173.7-60.4174.4000110.9I272 L323 L324 W329 W330 I331 F339 F341 A381 M385I272-L327 HydrophobicContact CD1-CD2 4.07Å; I272-L327 HydrophobicContact CG1-CD2 3.93Å; I272-L327 HydrophobicContact CG2-CD2 3.95Å; L323-L327 PolarHBondContact O-N 2.94Å; L324-L327 HydrophobicContact CD2-CD1 4.32Å; L327-W329 VanDerWaalsContact C-N 3.32Å; L327-W329 PolarHBondContact O-N 3.42Å; L327-W330 PolarHBondContact O-N 2.76Å; L327-I331 PolarHBondContact O-N 3.27Å; L327-F339 HydrophobicContact CB-CE2 4.09Å; L327-F339 HydrophobicContact CB-CZ 4.21Å; L327-F339 HydrophobicContact CD2-CD2 4.12Å; L327-F339 HydrophobicContact CD2-CE2 4.02Å; L327-F339 HydrophobicContact CD2-CG 4.43Å; L327-F339 HydrophobicContact CD2-CZ 4.26Å; L327-F339 VanDerWaalsContact O-CZ 3.32Å; L327-F339 WeakPolarHBondContact O-CZ 3.49Å; L327-F341 HydrophobicContact CD1-CE1 4.42Å; L327-F341 HydrophobicContact CD1-CZ 3.85Å; L327-F341 HydrophobicContact CD2-CE1 4.1Å; L327-F341 HydrophobicContact CD2-CE2 4.32Å; L327-F341 HydrophobicContact CD2-CZ 3.55Å; L327-F341 HydrophobicContact CG-CZ 4.36Å; L327-A381 HydrophobicContact CD1-CB 3.64Å; L327-M385 HydrophobicContact CB-CE 4.47Å; L327-M385 HydrophobicContact CB-CG 4.1Å; L327-M385 HydrophobicContact CB-SD 3.66Å; L327-M385 HydrophobicContact CD1-CG 4.01Å
328R98.6Very high98.6Very high12 Ų1212.5 Ų12.55%0.0456%0.057CC..Hα-helixtrans-64.6-36.3-179.9-173169-174.2163.34.3113D53 T56 R57 Y59 L324 S325 N326 W330 I331 E332 M385 Y389D53-R328 PolarHBondContact O-NH1 3.49Å; D53-R328 IonicContact OD1-CZ 3.87Å; D53-R328 VanDerWaalsContact OD1-CZ 3.3Å; D53-R328 IonicContact OD1-NH1 2.76Å; D53-R328 PolarHBondContact OD1-NH1 2.76Å; D53-R328 IonicContact OD1-NH2 3.85Å; D53-R328 PolarHBondContact OD1-NH2 2.81Å; T56-R328 WeakPolarHBondContact O-CB 3.47Å; T56-R328 WeakPolarHBondContact O-CD 3.47Å; T56-R328 VanDerWaalsContact OG1-CD 3.31Å; T56-R328 WeakPolarHBondContact OG1-CD 3.35Å; T56-R328 PolarHBondContact OG1-NH1 2.81Å; R57-R328 VanDerWaalsContact CD-CZ 3.47Å; R57-R328 VanDerWaalsContact CG-CZ 3.48Å; Y59-R328 HydrophobicContact CE1-CB 4.12Å; Y59-R328 HydrophobicContact CE1-CG 4.01Å; L324-R328 PolarHBondContact O-N 2.98Å; S325-R328 PolarHBondContact O-N 2.89Å; N326-R328 VanDerWaalsContact C-N 3.35Å; N326-R328 PolarHBondContact O-N 3.27Å; R328-W330 VanDerWaalsContact C-N 3.34Å; R328-W330 PolarHBondContact O-N 3.07Å; R328-I331 PolarHBondContact O-N 3.36Å; R328-E332 HydrophobicContact CG-CG 3.86Å; R328-E332 IonicContact NE-OE1 3.11Å; R328-E332 IonicContact NH2-OE1 2.77Å; R328-E332 WeakPolarHBondContact O-CB 3.47Å; R328-E332 PolarHBondContact O-N 3.14Å; R328-M385 HydrophobicContact CB-CE 4.38Å; R328-M385 HydrophobicContact CB-SD 4.5Å; R328-Y389 HydrophobicContact CG-CE2 4.29Å; R328-Y389 WeakPolarHBondContact CG-OH 3.49Å; R328-Y389 PolarHBondContact NE-OH 2.81Å
329W98.7Very high98.6Very high21 Ų2112 Ų128%0.085%0.054CC..Hα-helixtrans-56.2-47.4175.3169.6-107000111.8Y59 T147 F242 S325 N326 L327 I331 E332 E333 Y334Y59-W329 HydrophobicContact CD1-CB 3.88Å; Y59-W329 HydrophobicContact CD1-CE3 4.26Å; Y59-W329 AromaticContact CD2-CE3 3.49Å; Y59-W329 HydrophobicContact CD2-CE3 3.49Å; Y59-W329 VanDerWaalsContact CD2-CE3 3.49Å; Y59-W329 AromaticContact CD2-CZ3 3.88Å; Y59-W329 HydrophobicContact CD2-CZ3 3.88Å; Y59-W329 HydrophobicContact CE1-CB 4.24Å; Y59-W329 HydrophobicContact CE2-CE3 4.02Å; Y59-W329 HydrophobicContact CE2-CZ3 4.45Å; Y59-W329 HydrophobicContact CG-CB 4.34Å; Y59-W329 HydrophobicContact CG-CD2 4.47Å; Y59-W329 AromaticContact CG-CE3 3.64Å; Y59-W329 HydrophobicContact CG-CE3 3.64Å; Y59-W329 HydrophobicContact CG-CZ3 4.36Å; T147-W329 HydrophobicContact CG2-CH2 3.63Å; T147-W329 HydrophobicContact CG2-CZ2 3.49Å; T147-W329 VanDerWaalsContact CG2-CZ2 3.49Å; F242-W329 HydrophobicContact CD1-CB 3.76Å; F242-W329 AromaticContact CD1-CD1 3.57Å; F242-W329 AromaticContact CD1-CD2 3.94Å; F242-W329 HydrophobicContact CD1-CD2 3.94Å; F242-W329 AromaticContact CD1-CG 3.48Å; F242-W329 HydrophobicContact CD1-CG 3.48Å; F242-W329 VanDerWaalsContact CD1-CG 3.48Å; F242-W329 AromaticContact CD1-NE1 3.99Å; F242-W329 HydrophobicContact CE1-CB 3.7Å; F242-W329 AromaticContact CE1-CG 3.97Å; F242-W329 HydrophobicContact CE1-CG 3.97Å; F242-W329 PolarHBondContact O-NE1 2.74Å; S325-W329 VanDerWaalsContact O-CB 3.25Å; S325-W329 WeakPolarHBondContact O-CB 3.47Å; S325-W329 PolarHBondContact O-N 3.1Å; N326-W329 WeakPolarHBondContact O-CB 3.26Å; N326-W329 PolarHBondContact O-N 2.8Å; L327-W329 VanDerWaalsContact C-N 3.32Å; L327-W329 PolarHBondContact O-N 3.42Å; W329-I331 VanDerWaalsContact C-N 3.3Å; W329-I331 PolarHBondContact O-N 3.35Å; W329-E332 PolarHBondContact O-N 2.93Å; W329-E333 HydrophobicContact CD2-CB 4Å; W329-E333 HydrophobicContact CD2-CG 4.47Å; W329-E333 HydrophobicContact CE3-CB 3.93Å; W329-E333 HydrophobicContact CE3-CG 4.39Å; W329-E333 HydrophobicContact CH2-CB 4.08Å; W329-E333 HydrophobicContact CH2-CG 3.61Å; W329-E333 HydrophobicContact CZ2-CB 4.16Å; W329-E333 HydrophobicContact CZ2-CG 3.7Å; W329-E333 HydrophobicContact CZ3-CB 3.97Å; W329-E333 HydrophobicContact CZ3-CG 3.98Å; W329-E333 WeakPolarHBondContact O-CB 3.32Å; W329-E333 PolarHBondContact O-N 2.9Å; W329-Y334 AromaticContact CE2-CE2 3.97Å; W329-Y334 HydrophobicContact CZ2-CE2 4.19Å; W329-Y334 AromaticContact NE1-CE2 3.61Å
330W98.9Very high98.7Very high0 Ų012.1 Ų12.10%06%0.055CC..Hα-helixtrans-66.5-30.8178.5-66.7118.1000113.2V225 M226 F241 A244 L254 L270 N326 L327 R328 Y334 H335 F336 F339V225-W330 HydrophobicContact CG1-CH2 4.03Å; V225-W330 HydrophobicContact CG1-CZ3 3.89Å; M226-W330 HydrophobicContact CG-CZ2 3.77Å; F241-W330 WeakPolarHBondContact O-CZ2 3.4Å; F241-W330 PolarHBondContact O-NE1 3.31Å; A244-W330 HydrophobicContact CB-CH2 4.39Å; A244-W330 HydrophobicContact CB-CZ3 4.48Å; L254-W330 HydrophobicContact CD2-CZ3 4.05Å; L270-W330 HydrophobicContact CD2-CB 3.62Å; L270-W330 HydrophobicContact CD2-CD2 3.36Å; L270-W330 HydrophobicContact CD2-CE3 3.87Å; L270-W330 HydrophobicContact CD2-CG 3.22Å; N326-W330 PolarHBondContact ND2-NE1 3.31Å; N326-W330 PolarHBondContact O-N 2.97Å; N326-W330 PolarHBondContact OD1-NE1 3.33Å; N326-W330 VanDerWaalsContact OD1-NE1 3.07Å; L327-W330 PolarHBondContact O-N 2.76Å; R328-W330 VanDerWaalsContact C-N 3.34Å; R328-W330 PolarHBondContact O-N 3.07Å; W330-Y334 HydrophobicContact CD2-CD2 4.35Å; W330-Y334 AromaticContact CE3-CD2 3.29Å; W330-Y334 HydrophobicContact CE3-CD2 3.29Å; W330-Y334 AromaticContact CE3-CE2 3.65Å; W330-Y334 HydrophobicContact CE3-CE2 3.65Å; W330-Y334 AromaticContact CE3-CG 3.96Å; W330-Y334 HydrophobicContact CE3-CG 3.96Å; W330-Y334 HydrophobicContact CH2-CE2 4.28Å; W330-Y334 AromaticContact CZ3-CD2 3.52Å; W330-Y334 HydrophobicContact CZ3-CD2 3.52Å; W330-Y334 AromaticContact CZ3-CE2 3.42Å; W330-Y334 HydrophobicContact CZ3-CE2 3.42Å; W330-Y334 VanDerWaalsContact CZ3-CE2 3.42Å; W330-Y334 HydrophobicContact CZ3-CG 4.1Å; W330-Y334 AromaticContact CZ3-CZ 3.94Å; W330-Y334 PolarHBondContact O-N 3.36Å; W330-H335 PolarHBondContact O-N 2.92Å; W330-F336 HydrophobicContact CB-CD2 4.12Å; W330-F336 HydrophobicContact CE3-CD2 4.21Å; W330-F336 AromaticContact CE3-CE2 3.84Å; W330-F336 HydrophobicContact CE3-CE2 3.84Å; W330-F336 HydrophobicContact CZ3-CE2 4.39Å; W330-F336 WeakPolarHBondContact O-CD2 3.47Å; W330-F336 PolarHBondContact O-N 2.85Å; W330-F339 HydrophobicContact CB-CE1 3.92Å; W330-F339 HydrophobicContact CB-CZ 4.33Å
331I98.6Very high98.7Very high1 Ų112.1 Ų12.11%0.0056%0.055CC..Hα-helixtrans-72.2-50.1174.5-67.8161.9000111.3R175 L327 R328 W329 H335 F339 M385 Y389 I392R175-I331 PolarHBondContact NH2-O 3.19Å; L327-I331 PolarHBondContact O-N 3.27Å; R328-I331 PolarHBondContact O-N 3.36Å; W329-I331 VanDerWaalsContact C-N 3.3Å; W329-I331 PolarHBondContact O-N 3.35Å; I331-H335 WeakPolarHBondContact O-CA 3.37Å; I331-H335 PolarHBondContact O-N 2.84Å; I331-H335 VanDerWaalsContact O-N 3.13Å; I331-F339 HydrophobicContact CD1-CE2 3.76Å; I331-F339 HydrophobicContact CD1-CZ 3.81Å; I331-F339 HydrophobicContact CG1-CE2 4.1Å; I331-F339 HydrophobicContact CG1-CZ 3.66Å; I331-M385 HydrophobicContact CD1-SD 3.71Å; I331-Y389 HydrophobicContact CB-CE2 4.43Å; I331-Y389 HydrophobicContact CD1-CD2 3.75Å; I331-Y389 HydrophobicContact CD1-CE2 3.95Å; I331-Y389 HydrophobicContact CD1-CG 4.47Å; I331-Y389 HydrophobicContact CG2-CD1 3.85Å; I331-Y389 HydrophobicContact CG2-CD2 4.03Å; I331-Y389 HydrophobicContact CG2-CE1 3.69Å; I331-Y389 HydrophobicContact CG2-CE2 3.87Å; I331-Y389 HydrophobicContact CG2-CG 4.02Å; I331-I392 HydrophobicContact CD1-CD1 3.55Å; I331-I392 HydrophobicContact CD1-CG1 4.08Å; I331-I392 HydrophobicContact CG1-CD1 3.66Å
332E97.9Very high98.7Very high83 Ų8311.6 Ų11.639%0.3885%0.053SC..Hα-helixtrans-81.4-40.8-171.1-67.5-82.5-161.200112.3R328 W329 H335 Y389R328-E332 HydrophobicContact CG-CG 3.86Å; R328-E332 IonicContact NE-OE1 3.11Å; R328-E332 IonicContact NH2-OE1 2.77Å; R328-E332 WeakPolarHBondContact O-CB 3.47Å; R328-E332 PolarHBondContact O-N 3.14Å; W329-E332 PolarHBondContact O-N 2.93Å; E332-H335 PolarHBondContact O-CD2 2.87Å; E332-Y389 VanDerWaalsContact CG-OH 3.23Å; E332-Y389 WeakPolarHBondContact CG-OH 3.43Å; E332-Y389 PolarHBondContact OE1-OH 3.23Å
333E98.1Very high98.5Very high56 Ų5612 Ų1226%0.2626%0.057SC..Hα-helixtrans-82.4-36.4-176-174.667.7-164.900112.4K255 W329K255-E333 VanDerWaalsContact CE-O 3.23Å; K255-E333 WeakPolarHBondContact CE-O 3.37Å; K255-E333 WeakPolarHBondContact CE-OE1 3.48Å; K255-E333 IonicContact NZ-OE1 3.48Å; K255-E333 PolarHBondContact NZ-OE1 2.92Å; W329-E333 HydrophobicContact CD2-CB 4Å; W329-E333 HydrophobicContact CD2-CG 4.47Å; W329-E333 HydrophobicContact CE3-CB 3.93Å; W329-E333 HydrophobicContact CE3-CG 4.39Å; W329-E333 HydrophobicContact CH2-CB 4.08Å; W329-E333 HydrophobicContact CH2-CG 3.61Å; W329-E333 HydrophobicContact CZ2-CB 4.16Å; W329-E333 HydrophobicContact CZ2-CG 3.7Å; W329-E333 HydrophobicContact CZ3-CB 3.97Å; W329-E333 HydrophobicContact CZ3-CG 3.98Å; W329-E333 WeakPolarHBondContact O-CB 3.32Å; W329-E333 PolarHBondContact O-N 2.9Å
334Y98.8Very high98.4Very high1 Ų112 Ų120%0.0046%0.057CC..Hα-helixtrans-116.5-2.2-172.2-63-84000114.4F171 A244 P251 L254 K255 V258 W329 W330 F336F171-Y334 WeakPolarHBondContact CZ-O 3.28Å; A244-Y334 HydrophobicContact CB-CE1 4.2Å; P251-Y334 HydrophobicContact CB-CE1 4.11Å; P251-Y334 WeakPolarHBondContact CB-OH 3.48Å; P251-Y334 WeakPolarHBondContact O-CE1 3.49Å; L254-Y334 HydrophobicContact CB-CD1 4.09Å; L254-Y334 HydrophobicContact CB-CE1 4.11Å; L254-Y334 HydrophobicContact CD2-CD1 3.54Å; L254-Y334 HydrophobicContact CD2-CE1 3.69Å; L254-Y334 HydrophobicContact CD2-CG 4.16Å; L254-Y334 HydrophobicContact CG-CD1 3.72Å; L254-Y334 HydrophobicContact CG-CE1 4.12Å; K255-Y334 HydrophobicContact CG-CD1 3.75Å; K255-Y334 HydrophobicContact CG-CE1 4.19Å; V258-Y334 WeakPolarHBondContact CB-O 3.49Å; V258-Y334 WeakPolarHBondContact CG1-O 3.15Å; W329-Y334 AromaticContact CE2-CE2 3.97Å; W329-Y334 HydrophobicContact CZ2-CE2 4.19Å; W329-Y334 AromaticContact NE1-CE2 3.61Å; W330-Y334 HydrophobicContact CD2-CD2 4.35Å; W330-Y334 AromaticContact CE3-CD2 3.29Å; W330-Y334 HydrophobicContact CE3-CD2 3.29Å; W330-Y334 AromaticContact CE3-CE2 3.65Å; W330-Y334 HydrophobicContact CE3-CE2 3.65Å; W330-Y334 AromaticContact CE3-CG 3.96Å; W330-Y334 HydrophobicContact CE3-CG 3.96Å; W330-Y334 HydrophobicContact CH2-CE2 4.28Å; W330-Y334 AromaticContact CZ3-CD2 3.52Å; W330-Y334 HydrophobicContact CZ3-CD2 3.52Å; W330-Y334 AromaticContact CZ3-CE2 3.42Å; W330-Y334 HydrophobicContact CZ3-CE2 3.42Å; W330-Y334 VanDerWaalsContact CZ3-CE2 3.42Å; W330-Y334 HydrophobicContact CZ3-CG 4.1Å; W330-Y334 AromaticContact CZ3-CZ 3.94Å; W330-Y334 PolarHBondContact O-N 3.36Å; Y334-F336 VanDerWaalsContact C-N 3.29Å; Y334-F336 HydrophobicContact CG-CE2 4.42Å; Y334-F336 PolarHBondContact O-N 3.17Å
335H98.4Very high98.3Very high49 Ų4912.5 Ų12.523%0.2276%0.06CC..  trans62.426.3176.8-68.4-156.9000115.2F171 R175 V258 H262 W330 I331 E332F171-H335 HydrophobicContact CD1-CB 4.19Å; F171-H335 AromaticContact CD1-CG 3.87Å; F171-H335 AromaticContact CD1-ND1 3.47Å; F171-H335 WeakPolarHBondContact CD1-ND1 3.32Å; F171-H335 AromaticContact CD2-CD2 3.69Å; F171-H335 AromaticContact CD2-CE1 3.32Å; F171-H335 WeakPolarHBondContact CD2-CE1 3.4Å; F171-H335 AromaticContact CD2-CG 3.77Å; F171-H335 AromaticContact CD2-ND1 3.54Å; F171-H335 AromaticContact CD2-NE2 3.43Å; F171-H335 WeakPolarHBondContact CD2-NE2 3.21Å; F171-H335 HydrophobicContact CE1-CB 3.69Å; F171-H335 AromaticContact CE1-CG 3.75Å; F171-H335 AromaticContact CE1-ND1 3.85Å; F171-H335 HydrophobicContact CE2-CB 4.24Å; F171-H335 AromaticContact CE2-CD2 3.49Å; F171-H335 VanDerWaalsContact CE2-CD2 3.49Å; F171-H335 WeakPolarHBondContact CE2-CD2 3.27Å; F171-H335 AromaticContact CE2-CE1 3.94Å; F171-H335 AromaticContact CE2-CG 3.62Å; F171-H335 AromaticContact CE2-ND1 3.9Å; F171-H335 AromaticContact CE2-NE2 3.72Å; F171-H335 AromaticContact CG-CE1 3.37Å; F171-H335 WeakPolarHBondContact CG-CE1 3.15Å; F171-H335 AromaticContact CG-CG 3.89Å; F171-H335 AromaticContact CG-ND1 3.31Å; F171-H335 VanDerWaalsContact CG-ND1 3.31Å; F171-H335 WeakPolarHBondContact CG-ND1 3.31Å; F171-H335 AromaticContact CG-NE2 3.97Å; F171-H335 HydrophobicContact CZ-CB 3.72Å; F171-H335 AromaticContact CZ-CD2 3.91Å; F171-H335 AromaticContact CZ-CG 3.62Å; R175-H335 PolarHBondContact NH1-O 2.78Å; R175-H335 VanDerWaalsContact NH2-C 3.33Å; R175-H335 VanDerWaalsContact NH2-CA 3.27Å; V258-H335 HydrophobicContact CG1-CB 4.18Å; H262-H335 PolarHBondContact CE1-O 3.25Å; H262-H335 VanDerWaalsContact CE1-O 3.27Å; W330-H335 PolarHBondContact O-N 2.92Å; I331-H335 WeakPolarHBondContact O-CA 3.37Å; I331-H335 PolarHBondContact O-N 2.84Å; I331-H335 VanDerWaalsContact O-N 3.13Å; E332-H335 PolarHBondContact O-CD2 2.87Å
336F98.8Very high98.1Very high0 Ų012.8 Ų12.80%06%0.062CC..  trans-61.2139.7171.9-76.2-80.2000111.4R175 L222 V225 L254 V258 V268 L270 W330 Y334R175-F336 PolarHBondContact NH1-O 3.31Å; R175-F336 PolarHBondContact NH2-O 2.86Å; R175-F336 VanDerWaalsContact NH2-O 3.11Å; L222-F336 HydrophobicContact CB-CE1 4.22Å; L222-F336 HydrophobicContact CD2-CE1 4.07Å; L222-F336 HydrophobicContact CD2-CZ 4.11Å; V225-F336 HydrophobicContact CG1-CZ 4.3Å; V225-F336 HydrophobicContact CG2-CZ 4.44Å; L254-F336 HydrophobicContact CD1-CZ 4.21Å; L254-F336 HydrophobicContact CD2-CE2 4.28Å; L254-F336 HydrophobicContact CD2-CZ 4.41Å; V258-F336 HydrophobicContact CG2-CE1 4.34Å; V258-F336 HydrophobicContact CG2-CZ 4.32Å; V268-F336 HydrophobicContact CB-CD1 4.2Å; V268-F336 HydrophobicContact CG1-CD1 3.75Å; V268-F336 HydrophobicContact CG1-CE1 3.6Å; V268-F336 WeakPolarHBondContact O-CD1 3.35Å; L270-F336 HydrophobicContact CB-CB 4.43Å; L270-F336 HydrophobicContact CB-CD1 3.57Å; L270-F336 HydrophobicContact CB-CD2 4.14Å; L270-F336 HydrophobicContact CB-CE1 3.67Å; L270-F336 HydrophobicContact CB-CE2 4.26Å; L270-F336 HydrophobicContact CB-CG 3.8Å; L270-F336 HydrophobicContact CB-CZ 4.03Å; L270-F336 HydrophobicContact CD1-CE1 4.4Å; L270-F336 HydrophobicContact CD1-CE2 4.46Å; L270-F336 HydrophobicContact CD1-CZ 4.1Å; L270-F336 HydrophobicContact CD2-CD2 4.14Å; L270-F336 HydrophobicContact CD2-CE2 4.1Å; L270-F336 HydrophobicContact CD2-CZ 4.49Å; L270-F336 HydrophobicContact CG-CZ 4.45Å; W330-F336 HydrophobicContact CB-CD2 4.12Å; W330-F336 HydrophobicContact CE3-CD2 4.21Å; W330-F336 AromaticContact CE3-CE2 3.84Å; W330-F336 HydrophobicContact CE3-CE2 3.84Å; W330-F336 HydrophobicContact CZ3-CE2 4.39Å; W330-F336 WeakPolarHBondContact O-CD2 3.47Å; W330-F336 PolarHBondContact O-N 2.85Å; Y334-F336 VanDerWaalsContact C-N 3.29Å; Y334-F336 HydrophobicContact CG-CE2 4.42Å; Y334-F336 PolarHBondContact O-N 3.17Å
337D98.8Very high98Very high12 Ų1213.1 Ų13.16%0.0646%0.064CC..  trans-91.6-0.3-176.4-55.5-64.3000113.2R175 H262 I267 V268 I392 I393R175-D337 IonicContact CZ-OD1 3.86Å; R175-D337 IonicContact NH1-OD1 2.85Å; R175-D337 PolarHBondContact NH1-OD1 3.31Å; H262-D337 IonicContact CD2-OD2 2.77Å; H262-D337 IonicContact CE1-OD1 3.81Å; H262-D337 IonicContact CE1-OD2 3.12Å; H262-D337 IonicContact NE2-OD1 3.02Å; H262-D337 PolarHBondContact NE2-OD1 2.77Å; H262-D337 IonicContact NE2-OD2 2.62Å; H262-D337 PolarHBondContact NE2-OD2 2.84Å; I267-D337 VanDerWaalsContact CA-OD2 3.26Å; I267-D337 WeakPolarHBondContact CA-OD2 3.5Å; I267-D337 HydrophobicContact CB-CB 3.82Å; I267-D337 WeakPolarHBondContact CB-OD2 3.4Å; I267-D337 HydrophobicContact CG2-CB 4.17Å; V268-D337 PolarHBondContact N-OD2 3.43Å; V268-D337 PolarHBondContact O-N 3.41Å; D337-I392 VanDerWaalsContact C-CD1 3.41Å; D337-I392 WeakPolarHBondContact O-CD1 3.32Å; D337-I393 PolarHBondContact O-N 3.14Å; D337-I393 VanDerWaalsContact O-N 3.09Å
338G98.7Very high97.8Very high0 Ų013.1 Ų13.10%06%0.064CC..EExtended strand (participates in β ladder)trans163.7-168.5178.200000113.3L269 L270 I393L269-G338 WeakPolarHBondContact CA-O 3.49Å; L270-G338 PolarHBondContact N-O 2.97Å; G338-I393 CarbonylContact C-O 3.5Å; G338-I393 WeakPolarHBondContact CA-O 3.27Å
339F98.9Very high97.7Very high1 Ų112.7 Ų12.70%0.0046%0.062CC..EExtended strand (participates in β ladder)trans-141.5148.4-170-52.5-64.8000112.6L270 I272 L327 W330 I331 F341 I392 I393 T394 I395L270-F339 HydrophobicContact CB-CD1 3.95Å; L270-F339 HydrophobicContact CB-CE1 4.29Å; L270-F339 HydrophobicContact CD2-CD1 4.4Å; L270-F339 HydrophobicContact CD2-CE1 4.21Å; L270-F339 HydrophobicContact CG-CD1 4.4Å; L270-F339 CarbonylContact O-C 3.55Å; L270-F339 WeakPolarHBondContact O-CA 3.38Å; I272-F339 HydrophobicContact CD1-CD1 3.77Å; I272-F339 HydrophobicContact CD1-CE1 3.96Å; I272-F339 HydrophobicContact CG1-CB 3.84Å; I272-F339 HydrophobicContact CG1-CD1 3.31Å; I272-F339 HydrophobicContact CG1-CE1 4.01Å; I272-F339 HydrophobicContact CG1-CG 3.69Å; L327-F339 HydrophobicContact CB-CE2 4.09Å; L327-F339 HydrophobicContact CB-CZ 4.21Å; L327-F339 HydrophobicContact CD2-CD2 4.12Å; L327-F339 HydrophobicContact CD2-CE2 4.02Å; L327-F339 HydrophobicContact CD2-CG 4.43Å; L327-F339 HydrophobicContact CD2-CZ 4.26Å; L327-F339 VanDerWaalsContact O-CZ 3.32Å; L327-F339 WeakPolarHBondContact O-CZ 3.49Å; W330-F339 HydrophobicContact CB-CE1 3.92Å; W330-F339 HydrophobicContact CB-CZ 4.33Å; I331-F339 HydrophobicContact CD1-CE2 3.76Å; I331-F339 HydrophobicContact CD1-CZ 3.81Å; I331-F339 HydrophobicContact CG1-CE2 4.1Å; I331-F339 HydrophobicContact CG1-CZ 3.66Å; F339-F341 HydrophobicContact CB-CD2 4Å; F339-F341 HydrophobicContact CB-CE2 3.78Å; F339-F341 HydrophobicContact CD2-CE2 4.22Å; F339-F341 HydrophobicContact CG-CE2 4.31Å; F339-I392 HydrophobicContact CE2-CD1 4.46Å; F339-I392 HydrophobicContact CE2-CG1 4.33Å; F339-I393 PolarHBondContact N-O 2.76Å; F339-T394 HydrophobicContact CD2-CG2 4.5Å; F339-T394 CarbonylContact O-C 3.52Å; F339-T394 WeakPolarHBondContact O-CA 3.35Å; F339-I395 PolarHBondContact O-N 2.77Å
340R98.9Very high97.4Very high2 Ų215.4 Ų15.41%0.0088%0.076CC..EExtended strand (participates in β ladder)trans-101.5125.8151-177.6177.268.3-167.4-1.3108.2E186 L270 D271 I272 D342 I395E186-R340 IonicContact OE1-CZ 3.58Å; E186-R340 IonicContact OE1-NH1 3.81Å; E186-R340 PolarHBondContact OE1-NH1 3.35Å; E186-R340 IonicContact OE1-NH2 3.56Å; E186-R340 PolarHBondContact OE1-NH2 3.27Å; L270-R340 PolarHBondContact O-N 3.44Å; D271-R340 IonicContact OD1-CZ 2.68Å; D271-R340 IonicContact OD1-NE 3.04Å; D271-R340 PolarHBondContact OD1-NE 3.22Å; D271-R340 IonicContact OD1-NH2 2.66Å; D271-R340 PolarHBondContact OD1-NH2 3.13Å; D271-R340 VanDerWaalsContact OD1-NH2 3.1Å; D271-R340 IonicContact OD2-CZ 2.84Å; D271-R340 IonicContact OD2-NE 2.91Å; D271-R340 IonicContact OD2-NH2 3.25Å; D271-R340 PolarHBondContact OD2-NH2 3.09Å; I272-R340 PolarHBondContact N-O 2.82Å; R340-D342 WeakPolarHBondContact CD-OD1 3.35Å; R340-D342 WeakPolarHBondContact CG-OD1 3.27Å; R340-D342 IonicContact CZ-OD1 2.68Å; R340-D342 IonicContact NE-OD1 2.79Å; R340-D342 PolarHBondContact NE-OD1 3.19Å; R340-D342 IonicContact NH2-OD1 3.87Å; R340-I395 CarbonylContact C-O 3.57Å; R340-I395 VanDerWaalsContact CA-O 3.31Å; R340-I395 WeakPolarHBondContact CA-O 3.42Å; R340-I395 HydrophobicContact CB-CB 4.28Å; R340-I395 HydrophobicContact CG-CB 4.29Å; R340-I395 HydrophobicContact CG-CG2 4.35Å
341F98.8Very high96.9Very high3 Ų316.7 Ų16.71%0.0139%0.085CC..EExtended strand (participates in β ladder)trans-89.3117.7171.6-77.4-110.6000108.5I272 L327 F339 V344 L378 A381 T394 I395 E397 F416I272-F341 HydrophobicContact CG2-CD1 4.11Å; I272-F341 HydrophobicContact CG2-CE1 4.05Å; I272-F341 HydrophobicContact CG2-CZ 4.47Å; L327-F341 HydrophobicContact CD1-CE1 4.42Å; L327-F341 HydrophobicContact CD1-CZ 3.85Å; L327-F341 HydrophobicContact CD2-CE1 4.1Å; L327-F341 HydrophobicContact CD2-CE2 4.32Å; L327-F341 HydrophobicContact CD2-CZ 3.55Å; L327-F341 HydrophobicContact CG-CZ 4.36Å; F339-F341 HydrophobicContact CB-CD2 4Å; F339-F341 HydrophobicContact CB-CE2 3.78Å; F339-F341 HydrophobicContact CD2-CE2 4.22Å; F339-F341 HydrophobicContact CG-CE2 4.31Å; F341-V344 HydrophobicContact CB-CG2 3.73Å; F341-V344 WeakPolarHBondContact O-CG2 3.44Å; F341-L378 HydrophobicContact CD1-CD2 4.01Å; F341-L378 HydrophobicContact CE1-CD2 4.34Å; F341-A381 HydrophobicContact CE1-CB 4.39Å; F341-A381 HydrophobicContact CZ-CB 4.22Å; F341-T394 HydrophobicContact CE2-CG2 4.4Å; F341-I395 PolarHBondContact N-O 2.86Å; F341-E397 WeakPolarHBondContact O-CB 3.23Å; F341-E397 PolarHBondContact O-N 2.85Å; F341-F416 HydrophobicContact CB-CE1 3.88Å; F341-F416 HydrophobicContact CB-CZ 4.05Å; F341-F416 AromaticContact CD2-CE1 3.62Å; F341-F416 HydrophobicContact CD2-CE1 3.62Å; F341-F416 HydrophobicContact CD2-CZ 4.28Å; F341-F416 HydrophobicContact CE2-CE1 4.31Å; F341-F416 AromaticContact CG-CE1 3.83Å; F341-F416 HydrophobicContact CG-CE1 3.83Å; F341-F416 HydrophobicContact CG-CZ 4.07Å
342D97.9Very high96.4Very high2 Ų218.7 Ų18.71%0.0119%0.094CC..THydrogen-bonded Turntrans-93142.7-175.5-63.9-30.4000112.2Y236 D271 I272 V273 S275 R340Y236-D342 HydrophobicContact CD1-CB 4.36Å; Y236-D342 HydrophobicContact CE1-CB 3.83Å; D271-D342 WeakPolarHBondContact CB-OD2 3.49Å; D271-D342 VanDerWaalsContact CG-OD2 3.32Å; I272-D342 PolarHBondContact O-N 3.07Å; V273-D342 HydrophobicContact CG2-CB 4.42Å; S275-D342 VanDerWaalsContact CB-O 3.3Å; S275-D342 WeakPolarHBondContact CB-O 3.4Å; S275-D342 PolarHBondContact OG-O 3.25Å; R340-D342 WeakPolarHBondContact CD-OD1 3.35Å; R340-D342 WeakPolarHBondContact CG-OD1 3.27Å; R340-D342 IonicContact CZ-OD1 2.68Å; R340-D342 IonicContact NE-OD1 2.79Å; R340-D342 PolarHBondContact NE-OD1 3.19Å; R340-D342 IonicContact NH2-OD1 3.87Å
343G95.5Very high95.7Very high8 Ų815.6 Ų15.68%0.0828%0.084CC..THydrogen-bonded Turntrans67.233.6-179.300000113.9S275 T345 S346 M347 E397S275-G343 WeakPolarHBondContact CB-O 3.48Å; G343-T345 VanDerWaalsContact C-N 3.27Å; G343-T345 PolarHBondContact O-N 3.3Å; G343-S346 WeakPolarHBondContact O-CB 3.34Å; G343-S346 PolarHBondContact O-N 3.31Å; G343-M347 PolarHBondContact O-N 3.23Å; G343-E397 PolarHBondContact N-OE2 3.27Å
344V97.6Very high94.9Very high0 Ų016.7 Ų16.70%09%0.091CC..Hα-helixtrans-60.4-38.6-179.6174.50000111F341 S346 M347 I348 L378 A396 E397 E398 L405 F416F341-V344 HydrophobicContact CB-CG2 3.73Å; F341-V344 WeakPolarHBondContact O-CG2 3.44Å; V344-S346 VanDerWaalsContact C-N 3.26Å; V344-S346 PolarHBondContact O-N 3Å; V344-M347 WeakPolarHBondContact O-CB 3.27Å; V344-M347 PolarHBondContact O-N 2.87Å; V344-I348 HydrophobicContact CG1-CG2 3.97Å; V344-I348 WeakPolarHBondContact O-CG1 3.3Å; V344-I348 WeakPolarHBondContact O-CG2 3.48Å; V344-I348 PolarHBondContact O-N 3.33Å; V344-L378 HydrophobicContact CG1-CD1 3.92Å; V344-A396 HydrophobicContact CG2-CB 4.15Å; V344-E397 WeakPolarHBondContact CB-O 3.49Å; V344-E397 PolarHBondContact N-O 2.99Å; V344-E398 HydrophobicContact CB-CB 4.15Å; V344-E398 HydrophobicContact CB-CG 4.21Å; V344-E398 HydrophobicContact CG1-CB 4.22Å; V344-E398 HydrophobicContact CG1-CG 3.86Å; V344-L405 HydrophobicContact CG1-CD1 4.42Å; V344-F416 HydrophobicContact CG2-CZ 4.23Å
345T95.9Very high93.9Very high12 Ų1220.9 Ų20.97%0.07414%0.135CC..Hα-helixtrans-58.1-38.5174.7-55.40000112.2G343 M347 Y349 E398 V399G343-T345 VanDerWaalsContact C-N 3.27Å; G343-T345 PolarHBondContact O-N 3.3Å; T345-M347 VanDerWaalsContact C-N 3.29Å; T345-M347 PolarHBondContact O-N 3.42Å; T345-Y349 HydrophobicContact CG2-CD2 3.93Å; T345-Y349 HydrophobicContact CG2-CE2 4.07Å; T345-Y349 WeakPolarHBondContact O-CD2 3.44Å; T345-E398 WeakPolarHBondContact OG1-CA 3.34Å; T345-E398 PolarHBondContact OG1-OE1 3.18Å; T345-V399 HydrophobicContact CG2-CG1 3.81Å; T345-V399 WeakPolarHBondContact OG1-CG1 3.25Å; T345-V399 PolarHBondContact OG1-N 2.91Å
346S94.8Very high92.8Very high6 Ų623.3 Ų23.34%0.04215%0.146CC..Hα-helixtrans-66.6-33.2176.1178.80000112.2H304 W307 G343 V344 H352H304-S346 PolarHBondContact CD2-OG 2.9Å; H304-S346 PolarHBondContact NE2-OG 3.36Å; W307-S346 WeakPolarHBondContact CZ3-OG 3.37Å; G343-S346 WeakPolarHBondContact O-CB 3.34Å; G343-S346 PolarHBondContact O-N 3.31Å; V344-S346 VanDerWaalsContact C-N 3.26Å; V344-S346 PolarHBondContact O-N 3Å; S346-H352 PolarHBondContact O-ND1 3.17Å
347M96.4Very high91.9Very high6 Ų626.5 Ų26.53%0.0318%0.179CC..Hα-helixtrans-70.8-47.2177.7-6417568.100112.6S275 Y314 G343 V344 T345 Y349 D371 S374 Y377 L378S275-M347 VanDerWaalsContact CA-CG 3.49Å; Y314-M347 HydrophobicContact CE1-CE 4.13Å; G343-M347 PolarHBondContact O-N 3.23Å; V344-M347 WeakPolarHBondContact O-CB 3.27Å; V344-M347 PolarHBondContact O-N 2.87Å; T345-M347 VanDerWaalsContact C-N 3.29Å; T345-M347 PolarHBondContact O-N 3.42Å; M347-Y349 VanDerWaalsContact C-N 3.34Å; M347-Y349 PolarHBondContact O-N 3.31Å; M347-D371 WeakPolarHBondContact O-CB 3.3Å; M347-S374 WeakPolarHBondContact O-CB 3.48Å; M347-S374 PolarHBondContact O-OG 3.41Å; M347-Y377 HydrophobicContact CE-CD1 3.64Å; M347-Y377 HydrophobicContact CE-CE1 3.8Å; M347-L378 HydrophobicContact CE-CD1 4.32Å; M347-L378 HydrophobicContact CE-CD2 3.64Å; M347-L378 HydrophobicContact CE-CG 3.97Å; M347-L378 HydrophobicContact SD-CD2 4.22Å
348I95.9Very high91.3Very high1 Ų128.5 Ų28.51%0.00519%0.187CC..Hα-helixtrans-81.9-10-166.464.7176.2000113.8V344 A370 D371 L375 L378 E398 L402V344-I348 HydrophobicContact CG1-CG2 3.97Å; V344-I348 WeakPolarHBondContact O-CG1 3.3Å; V344-I348 WeakPolarHBondContact O-CG2 3.48Å; V344-I348 PolarHBondContact O-N 3.33Å; I348-A370 CarbonylContact O-C 3.41Å; I348-A370 VanDerWaalsContact O-CA 3.28Å; I348-A370 WeakPolarHBondContact O-CA 3.34Å; I348-D371 PolarHBondContact O-N 3.43Å; I348-L375 HydrophobicContact CB-CD2 3.92Å; I348-L375 HydrophobicContact CB-CG 4.38Å; I348-L375 HydrophobicContact CG2-CD2 3.53Å; I348-L375 HydrophobicContact CG2-CG 4.21Å; I348-L378 HydrophobicContact CG2-CD1 3.82Å; I348-E398 HydrophobicContact CD1-CG 3.98Å; I348-L402 HydrophobicContact CD1-CB 4.2Å; I348-L402 HydrophobicContact CD1-CD2 3.83Å
349Y95Very high90.9Very high2 Ų232.9 Ų32.91%0.00822%0.218CC..BIsolated β-bridgetrans-123.7135.6175.7-58.6-64.2000111.3T345 M347 S351 H352 F358 Y365 N369 S400T345-Y349 HydrophobicContact CG2-CD2 3.93Å; T345-Y349 HydrophobicContact CG2-CE2 4.07Å; T345-Y349 WeakPolarHBondContact O-CD2 3.44Å; M347-Y349 VanDerWaalsContact C-N 3.34Å; M347-Y349 PolarHBondContact O-N 3.31Å; Y349-S351 PolarHBondContact O-N 3.12Å; Y349-H352 WeakPolarHBondContact O-CA 3.38Å; Y349-H352 PolarHBondContact O-N 2.94Å; Y349-H352 PolarHBondContact O-ND1 3.1Å; Y349-F358 HydrophobicContact CD2-CE1 4.48Å; Y349-F358 AromaticContact CD2-CZ 3.91Å; Y349-F358 HydrophobicContact CD2-CZ 3.91Å; Y349-F358 HydrophobicContact CE1-CE1 4.3Å; Y349-F358 AromaticContact CE2-CE1 3.87Å; Y349-F358 HydrophobicContact CE2-CE1 3.87Å; Y349-F358 AromaticContact CE2-CZ 3.56Å; Y349-F358 HydrophobicContact CE2-CZ 3.56Å; Y349-F358 AromaticContact CZ-CE1 3.79Å; Y349-F358 AromaticContact CZ-CZ 3.99Å; Y349-Y365 WeakPolarHBondContact OH-CD1 3.47Å; Y349-N369 CarbonylContact C-O 3.58Å; Y349-N369 VanDerWaalsContact CA-O 3.31Å; Y349-N369 WeakPolarHBondContact CA-O 3.46Å; Y349-S400 PolarHBondContact OH-OG 3.19Å
350H92.3Very high90.5Very high78 Ų7834.6 Ų34.636%0.36124%0.235SC..THydrogen-bonded Turntrans-63.4-26.8173-67.2-48000112.9H352 N369 D371H350-H352 VanDerWaalsContact C-N 3.27Å; H350-H352 PolarHBondContact O-NE2 3.19Å; H350-N369 PolarHBondContact N-O 3.16Å; H350-D371 IonicContact CE1-OD1 3.55Å; H350-D371 IonicContact CE1-OD2 3.87Å; H350-D371 PolarHBondContact CE1-OD2 2.67Å; H350-D371 IonicContact ND1-OD2 3.87Å; H350-D371 PolarHBondContact ND1-OD2 2.72Å; H350-D371 VanDerWaalsContact ND1-OD2 3.16Å
351S89.2Confident90.2Very high27 Ų2738.1 Ų38.119%0.18926%0.255CS..THydrogen-bonded Turntrans-81.4-2.6170.664.20000114.1Y349 G353 L354 H356 N369Y349-S351 PolarHBondContact O-N 3.12Å; S351-G353 PolarHBondContact O-N 2.66Å; S351-G353 VanDerWaalsContact O-N 3.1Å; S351-L354 WeakPolarHBondContact O-CB 3.49Å; S351-L354 PolarHBondContact O-N 2.76Å; S351-H356 PolarHBondContact OG-CD2 3.13Å; S351-H356 PolarHBondContact OG-NE2 2.73Å; S351-N369 PolarHBondContact N-OD1 3.1Å; S351-N369 VanDerWaalsContact N-OD1 3.08Å; S351-N369 PolarHBondContact OG-ND2 3.19Å; S351-N369 PolarHBondContact OG-OD1 3.27Å
352H89.1Confident90Very high44 Ų4439.8 Ų39.820%0.20426%0.261CS..THydrogen-bonded Turntrans58.818.5-176.3-46.6-56.7000114.6H304 L311 S346 Y349 H350 L354H304-H352 AromaticContact CD2-CD2 3.74Å; H304-H352 AromaticContact CD2-CG 3.58Å; H304-H352 AromaticContact CD2-ND1 3.88Å; H304-H352 WeakPolarHBondContact NE2-CB 3.46Å; H304-H352 AromaticContact NE2-CD2 3.91Å; H304-H352 AromaticContact NE2-CG 3.53Å; L311-H352 WeakPolarHBondContact CD1-CE1 3.28Å; S346-H352 PolarHBondContact O-ND1 3.17Å; Y349-H352 WeakPolarHBondContact O-CA 3.38Å; Y349-H352 PolarHBondContact O-N 2.94Å; Y349-H352 PolarHBondContact O-ND1 3.1Å; H350-H352 VanDerWaalsContact C-N 3.27Å; H350-H352 PolarHBondContact O-NE2 3.19Å; H352-L354 HydrophobicContact CB-CD1 4.45Å; H352-L354 HydrophobicContact CB-CG 4.26Å; H352-L354 PolarHBondContact O-N 2.67Å
353G82.3Confident89.8Confident17 Ų1744.2 Ų44.218%0.17529%0.285CS..THydrogen-bonded Turntrans75.3-0.1-172.200000114.2S351 G355 H356S351-G353 PolarHBondContact O-N 2.66Å; S351-G353 VanDerWaalsContact O-N 3.1Å; G353-G355 PolarHBondContact O-N 3.11Å; G353-H356 PolarHBondContact O-N 3.18Å
354L81.6Confident89.6Confident79 Ų7946.3 Ų46.341%0.41429%0.292SS..THydrogen-bonded Turntrans-69.8127.3-177.2-61.8177.6000111.3L306 S351 H352 H356L306-L354 HydrophobicContact CB-CD1 4Å; L306-L354 HydrophobicContact CD2-CD1 4.46Å; L306-L354 HydrophobicContact CD2-CD2 3.49Å; L306-L354 VanDerWaalsContact CD2-CD2 3.49Å; S351-L354 WeakPolarHBondContact O-CB 3.49Å; S351-L354 PolarHBondContact O-N 2.76Å; H352-L354 HydrophobicContact CB-CD1 4.45Å; H352-L354 HydrophobicContact CB-CG 4.26Å; H352-L354 PolarHBondContact O-N 2.67Å; L354-H356 PolarHBondContact O-CD2 3.12Å; L354-H356 PolarHBondContact O-N 3.47Å
355G76.7Confident89.5Confident89 Ų8946.9 Ų46.992%0.91829%0.294SS*.THydrogen-bonded Turntrans69.99179.100000114.7G353G353-G355 PolarHBondContact O-N 3.11Å
356H76.5Confident89.4Confident100 Ų10047.3 Ų47.346%0.46330%0.296SS..  trans-104.8120.2176.8-76.7-84000111S351 G353 L354 F358S351-H356 PolarHBondContact OG-CD2 3.13Å; S351-H356 PolarHBondContact OG-NE2 2.73Å; G353-H356 PolarHBondContact O-N 3.18Å; L354-H356 PolarHBondContact O-CD2 3.12Å; L354-H356 PolarHBondContact O-N 3.47Å; H356-F358 HydrophobicContact CB-CE2 4.41Å; H356-F358 HydrophobicContact CB-CZ 4.34Å
357G78.7Confident89.2Confident67 Ų6750 Ų5069%0.69131%0.309SS*.  trans-83.7130.8161.200000109.3
358F87.2Confident89Confident55 Ų5557.8 Ų57.824%0.24135%0.35CS..  trans-94.7113173.9-64-81.5000109.1Y349 H356 E364 Y365 S400Y349-F358 HydrophobicContact CD2-CE1 4.48Å; Y349-F358 AromaticContact CD2-CZ 3.91Å; Y349-F358 HydrophobicContact CD2-CZ 3.91Å; Y349-F358 HydrophobicContact CE1-CE1 4.3Å; Y349-F358 AromaticContact CE2-CE1 3.87Å; Y349-F358 HydrophobicContact CE2-CE1 3.87Å; Y349-F358 AromaticContact CE2-CZ 3.56Å; Y349-F358 HydrophobicContact CE2-CZ 3.56Å; Y349-F358 AromaticContact CZ-CE1 3.79Å; Y349-F358 AromaticContact CZ-CZ 3.99Å; H356-F358 HydrophobicContact CB-CE2 4.41Å; H356-F358 HydrophobicContact CB-CZ 4.34Å; F358-E364 VanDerWaalsContact CA-OE2 3.31Å; F358-E364 WeakPolarHBondContact CA-OE2 3.5Å; F358-E364 HydrophobicContact CD1-CB 4.4Å; F358-Y365 HydrophobicContact CB-CE1 4.38Å; F358-Y365 HydrophobicContact CD1-CD1 4.14Å; F358-Y365 AromaticContact CD1-CE1 3.59Å; F358-Y365 HydrophobicContact CD1-CE1 3.59Å; F358-Y365 HydrophobicContact CE1-CD1 4.41Å; F358-Y365 HydrophobicContact CE1-CE1 4.24Å; F358-Y365 HydrophobicContact CG-CE1 4.26Å; F358-S400 WeakPolarHBondContact CB-O 3.5Å; F358-S400 VanDerWaalsContact CE2-CB 3.41Å; F358-S400 VanDerWaalsContact CZ-CB 3.43Å
359S90.2Very high88.9Confident92 Ų9259.5 Ų59.564%0.64336%0.36SS*.  trans-84.3-17-17868.90000113.1D361 E364S359-D361 PolarHBondContact OG-N 3.34Å; S359-E364 WeakPolarHBondContact CB-OE1 3.01Å; S359-E364 PolarHBondContact N-OE2 3.04Å; S359-E364 VanDerWaalsContact OG-CD 3.26Å; S359-E364 PolarHBondContact OG-OE1 2.67Å; S359-E364 PolarHBondContact OG-OE2 3.13Å
360G89.8Confident88.8Confident36 Ų3659.7 Ų59.737%0.37136%0.361SS..SBendtrans95.40.9-169.700000113.6Y362G360-Y362 VanDerWaalsContact O-CD1 3.3Å; G360-Y362 WeakPolarHBondContact O-CD1 3.48Å; G360-Y362 PolarHBondContact O-N 2.95Å
361D92.7Very high89Confident77 Ų7756.6 Ų56.641%0.41235%0.347SS..  trans-67.8127.3168-173.4-26.6000110.2S359 N363 E364S359-D361 PolarHBondContact OG-N 3.34Å; D361-N363 PolarHBondContact O-N 3.44Å; D361-N363 WeakPolarHBondContact OD1-CB 3.45Å; D361-N363 PolarHBondContact OD1-N 2.81Å; D361-N363 PolarHBondContact OD1-ND2 3.04Å; D361-E364 HydrophobicContact CB-CG 4.27Å; D361-E364 VanDerWaalsContact O-CB 3.28Å; D361-E364 WeakPolarHBondContact O-CB 3.29Å; D361-E364 PolarHBondContact O-N 2.9Å
362Y94.2Very high89.3Confident37 Ų3756 Ų5615%0.14534%0.343CS..G310 helixtrans-68.9-22.1-173.4-74.429.9000112.4D21 L24 F27 G360 E364 Y365 F366 P403 R453D21-Y362 PolarHBondContact OD1-OH 2.77Å; D21-Y362 WeakPolarHBondContact OD2-CE2 3.49Å; D21-Y362 PolarHBondContact OD2-OH 2.8Å; L24-Y362 HydrophobicContact CD2-CD2 3.8Å; L24-Y362 HydrophobicContact CD2-CE2 3.8Å; L24-Y362 HydrophobicContact CG-CD2 4.44Å; L24-Y362 HydrophobicContact CG-CE2 4.05Å; F27-Y362 HydrophobicContact CD2-CD2 4.32Å; F27-Y362 HydrophobicContact CE2-CD2 4.11Å; F27-Y362 HydrophobicContact CE2-CG 4.18Å; G360-Y362 VanDerWaalsContact O-CD1 3.3Å; G360-Y362 WeakPolarHBondContact O-CD1 3.48Å; G360-Y362 PolarHBondContact O-N 2.95Å; Y362-E364 PolarHBondContact O-N 3.35Å; Y362-Y365 HydrophobicContact CD1-CD2 4.4Å; Y362-Y365 HydrophobicContact CD1-CE2 4.42Å; Y362-Y365 PolarHBondContact O-N 3.41Å; Y362-F366 HydrophobicContact CD2-CE2 4.35Å; Y362-F366 VanDerWaalsContact O-CD2 3.3Å; Y362-F366 WeakPolarHBondContact O-CD2 3.14Å; Y362-F366 PolarHBondContact O-N 3.5Å; Y362-P403 HydrophobicContact CD1-CG 4.41Å; Y362-P403 HydrophobicContact CD2-CG 4.31Å; Y362-P403 HydrophobicContact CE1-CG 4.2Å; Y362-P403 HydrophobicContact CE2-CB 4.4Å; Y362-P403 HydrophobicContact CE2-CG 4.05Å; Y362-P403 HydrophobicContact CG-CG 4.49Å; Y362-R453 PolarHBondContact OH-NH1 3.15Å; Y362-R453 PolarHBondContact OH-NH2 3.27Å
363N93.8Very high89.6Confident96 Ų9654.9 Ų54.951%0.51334%0.338SS..G310 helixtrans-63-21.8173.2-64.4-67.4000112.3D361 Y365 N367D361-N363 PolarHBondContact O-N 3.44Å; D361-N363 WeakPolarHBondContact OD1-CB 3.45Å; D361-N363 PolarHBondContact OD1-N 2.81Å; D361-N363 PolarHBondContact OD1-ND2 3.04Å; N363-Y365 VanDerWaalsContact C-N 3.29Å; N363-N367 VanDerWaalsContact O-CB 3.29Å; N363-N367 WeakPolarHBondContact O-CB 3.39Å; N363-N367 PolarHBondContact O-ND2 3.3Å
364E92.7Very high90.3Very high52 Ų5254.2 Ų54.224%0.24333%0.331CS..G310 helixtrans-71.1-27.6174.8-62171.5175.300111.8F358 S359 D361 Y362 N367F358-E364 VanDerWaalsContact CA-OE2 3.31Å; F358-E364 WeakPolarHBondContact CA-OE2 3.5Å; F358-E364 HydrophobicContact CD1-CB 4.4Å; S359-E364 WeakPolarHBondContact CB-OE1 3.01Å; S359-E364 PolarHBondContact N-OE2 3.04Å; S359-E364 VanDerWaalsContact OG-CD 3.26Å; S359-E364 PolarHBondContact OG-OE1 2.67Å; S359-E364 PolarHBondContact OG-OE2 3.13Å; D361-E364 HydrophobicContact CB-CG 4.27Å; D361-E364 VanDerWaalsContact O-CB 3.28Å; D361-E364 WeakPolarHBondContact O-CB 3.29Å; D361-E364 PolarHBondContact O-N 2.9Å; Y362-E364 PolarHBondContact O-N 3.35Å; E364-N367 WeakPolarHBondContact CA-ND2 3.23Å; E364-N367 PolarHBondContact O-ND2 2.82Å
365Y94.2Very high91.1Very high11 Ų1150.5 Ų50.54%0.04331%0.311CS..THydrogen-bonded Turntrans-95-29.3-174.6-54.4-49.8000114.3R34 Y349 F358 Y362 N363 S400 L402 P403R34-Y365 PolarHBondContact NH2-O 3.32Å; Y349-Y365 WeakPolarHBondContact OH-CD1 3.47Å; F358-Y365 HydrophobicContact CB-CE1 4.38Å; F358-Y365 HydrophobicContact CD1-CD1 4.14Å; F358-Y365 AromaticContact CD1-CE1 3.59Å; F358-Y365 HydrophobicContact CD1-CE1 3.59Å; F358-Y365 HydrophobicContact CE1-CD1 4.41Å; F358-Y365 HydrophobicContact CE1-CE1 4.24Å; F358-Y365 HydrophobicContact CG-CE1 4.26Å; Y362-Y365 HydrophobicContact CD1-CD2 4.4Å; Y362-Y365 HydrophobicContact CD1-CE2 4.42Å; Y362-Y365 PolarHBondContact O-N 3.41Å; N363-Y365 VanDerWaalsContact C-N 3.29Å; Y365-S400 VanDerWaalsContact CE1-O 3.25Å; Y365-S400 WeakPolarHBondContact CE1-O 3.17Å; Y365-S400 PolarHBondContact OH-O 3.27Å; Y365-L402 HydrophobicContact CG-CD1 4.33Å; Y365-P403 HydrophobicContact CD2-CG 3.76Å; Y365-P403 HydrophobicContact CE2-CG 4.1Å
366F93.6Very high92Very high22 Ų2246.5 Ų46.510%0.09627%0.269CS..SBendtrans-116.231.9-172.8-59.6-77.9000113.1L24 F27 E30 I31 Y362 L402 P403L24-F366 HydrophobicContact CD2-CE2 3.55Å; L24-F366 HydrophobicContact CD2-CZ 3.54Å; F27-F366 HydrophobicContact CB-CB 4.24Å; F27-F366 HydrophobicContact CB-CD1 4.34Å; F27-F366 HydrophobicContact CB-CD2 4.12Å; F27-F366 HydrophobicContact CB-CG 3.98Å; F27-F366 HydrophobicContact CD1-CB 3.35Å; F27-F366 AromaticContact CD1-CD2 3.93Å; F27-F366 HydrophobicContact CD1-CD2 3.93Å; F27-F366 AromaticContact CD1-CG 3.85Å; F27-F366 HydrophobicContact CD1-CG 3.85Å; F27-F366 HydrophobicContact CD2-CD2 4.04Å; F27-F366 HydrophobicContact CE1-CB 3.88Å; F27-F366 HydrophobicContact CE1-CD2 4.34Å; F27-F366 HydrophobicContact CE2-CD2 4.48Å; F27-F366 HydrophobicContact CG-CB 3.93Å; F27-F366 AromaticContact CG-CD2 3.74Å; F27-F366 HydrophobicContact CG-CD2 3.74Å; F27-F366 HydrophobicContact CG-CE2 4.49Å; F27-F366 AromaticContact CG-CG 3.89Å; F27-F366 HydrophobicContact CG-CG 3.89Å; E30-F366 HydrophobicContact CG-CB 4.45Å; E30-F366 HydrophobicContact CG-CD1 4.48Å; I31-F366 HydrophobicContact CD1-CE1 4.23Å; I31-F366 HydrophobicContact CG1-CD1 4.43Å; I31-F366 HydrophobicContact CG1-CE1 4.02Å; Y362-F366 HydrophobicContact CD2-CE2 4.35Å; Y362-F366 VanDerWaalsContact O-CD2 3.3Å; Y362-F366 WeakPolarHBondContact O-CD2 3.14Å; Y362-F366 PolarHBondContact O-N 3.5Å; F366-L402 HydrophobicContact CZ-CD1 4.45Å; F366-P403 HydrophobicContact CE2-CB 4.42Å; F366-P403 HydrophobicContact CE2-CG 4.25Å; F366-P403 HydrophobicContact CZ-CB 4.34Å
367N91.3Very high93.1Very high62 Ų6241.8 Ų41.833%0.33225%0.247SC..SBendtrans-101-174.9175.463.443.7000112.2N363 E364 N369 A370N363-N367 VanDerWaalsContact O-CB 3.29Å; N363-N367 WeakPolarHBondContact O-CB 3.39Å; N363-N367 PolarHBondContact O-ND2 3.3Å; E364-N367 WeakPolarHBondContact CA-ND2 3.23Å; E364-N367 PolarHBondContact O-ND2 2.82Å; N367-N369 PolarHBondContact O-N 3.14Å; N367-N369 WeakPolarHBondContact OD1-CA 3.19Å; N367-N369 WeakPolarHBondContact OD1-CB 3.47Å; N367-N369 PolarHBondContact OD1-N 2.83Å; N367-A370 WeakPolarHBondContact O-CB 2.98Å; N367-A370 PolarHBondContact O-N 3.42Å
368L92.2Very high94Very high169 Ų16938.6 Ų38.689%0.88521%0.214SC*.THydrogen-bonded Turntrans-68.8-12-179.8-63.8175.8000114.7A370L368-A370 VanDerWaalsContact C-N 3.26Å
369N93.1Very high94.6Very high38 Ų3836.2 Ų36.220%0.20320%0.204CC..THydrogen-bonded Turntrans-75.2-18.4173-170.145.4000111.8Y349 H350 S351 N367 D371Y349-N369 CarbonylContact C-O 3.58Å; Y349-N369 VanDerWaalsContact CA-O 3.31Å; Y349-N369 WeakPolarHBondContact CA-O 3.46Å; H350-N369 PolarHBondContact N-O 3.16Å; S351-N369 PolarHBondContact N-OD1 3.1Å; S351-N369 VanDerWaalsContact N-OD1 3.08Å; S351-N369 PolarHBondContact OG-ND2 3.19Å; S351-N369 PolarHBondContact OG-OD1 3.27Å; N367-N369 PolarHBondContact O-N 3.14Å; N367-N369 WeakPolarHBondContact OD1-CA 3.19Å; N367-N369 WeakPolarHBondContact OD1-CB 3.47Å; N367-N369 PolarHBondContact OD1-N 2.83Å; N369-D371 PolarHBondContact O-N 2.82Å
370A93.9Very high95Very high5 Ų531.8 Ų31.84%0.04117%0.173CC..BIsolated β-bridgetrans-70.3120.2177.100000111.2R34 I348 N367 L368 T372 L375R34-A370 VanDerWaalsContact NH2-CB 3.26Å; I348-A370 CarbonylContact O-C 3.41Å; I348-A370 VanDerWaalsContact O-CA 3.28Å; I348-A370 WeakPolarHBondContact O-CA 3.34Å; N367-A370 WeakPolarHBondContact O-CB 2.98Å; N367-A370 PolarHBondContact O-N 3.42Å; L368-A370 VanDerWaalsContact C-N 3.26Å; A370-T372 PolarHBondContact O-N 3.45Å; A370-T372 VanDerWaalsContact O-N 3.08Å; A370-L375 HydrophobicContact CB-CD1 4.27Å
371D95.6Very high95.4Very high13 Ų1330.1 Ų30.17%0.0716%0.156CC..  trans-75.6100.6177.9-166-33000110.1R301 M347 I348 H350 N369 D373 S374 L375R301-D371 IonicContact CZ-OD2 3.06Å; R301-D371 IonicContact NE-OD2 2.66Å; R301-D371 IonicContact NH2-OD1 2.7Å; R301-D371 PolarHBondContact NH2-OD1 3.08Å; R301-D371 IonicContact NH2-OD2 3.79Å; R301-D371 PolarHBondContact NH2-OD2 3.09Å; M347-D371 WeakPolarHBondContact O-CB 3.3Å; I348-D371 PolarHBondContact O-N 3.43Å; H350-D371 IonicContact CE1-OD1 3.55Å; H350-D371 IonicContact CE1-OD2 3.87Å; H350-D371 PolarHBondContact CE1-OD2 2.67Å; H350-D371 IonicContact ND1-OD2 3.87Å; H350-D371 PolarHBondContact ND1-OD2 2.72Å; H350-D371 VanDerWaalsContact ND1-OD2 3.16Å; N369-D371 PolarHBondContact O-N 2.82Å; D371-D373 VanDerWaalsContact C-N 3.26Å; D371-D373 PolarHBondContact O-N 3.11Å; D371-D373 WeakPolarHBondContact OD1-CB 3.12Å; D371-D373 PolarHBondContact OD1-N 3.43Å; D371-S374 PolarHBondContact O-N 3.24Å; D371-S374 PolarHBondContact OD1-N 2.77Å; D371-L375 WeakPolarHBondContact O-CD1 3.37Å; D371-L375 VanDerWaalsContact O-CG 3.22Å; D371-L375 WeakPolarHBondContact O-CG 3.49Å; D371-L375 PolarHBondContact O-N 2.74Å; D371-L375 VanDerWaalsContact O-N 3.08Å
372T95.6Very high95.7Very high16 Ų1626.5 Ų26.510%0.09814%0.136CC..Hα-helixtrans-64.6-31.5-179.1-55.60000112.6R33 R34 I37 A370 L375 V376R33-T372 PolarHBondContact NH2-OG1 3.04Å; R34-T372 HydrophobicContact CG-CG2 4.25Å; I37-T372 HydrophobicContact CD1-CG2 3.58Å; A370-T372 PolarHBondContact O-N 3.45Å; A370-T372 VanDerWaalsContact O-N 3.08Å; T372-L375 PolarHBondContact O-N 2.99Å; T372-V376 HydrophobicContact CG2-CG2 4.29Å; T372-V376 WeakPolarHBondContact O-CB 3.48Å; T372-V376 VanDerWaalsContact O-CG2 3.23Å; T372-V376 WeakPolarHBondContact O-CG2 3.3Å; T372-V376 PolarHBondContact O-N 3.28Å
373D95.7Very high95.9Very high20 Ų2026.6 Ų26.611%0.10714%0.137CC..Hα-helixtrans-69.8-44.8-176.5-55.8-41.7000109.7R301 T315 D371 V376 Y377R301-D373 IonicContact CZ-OD2 3.63Å; R301-D373 IonicContact NH1-OD2 3.41Å; R301-D373 PolarHBondContact NH1-OD2 3.11Å; R301-D373 IonicContact NH2-OD2 2.94Å; R301-D373 PolarHBondContact NH2-OD2 3.08Å; T315-D373 HydrophobicContact CG2-CB 3.77Å; T315-D373 VanDerWaalsContact CG2-OD1 3.28Å; T315-D373 WeakPolarHBondContact CG2-OD1 3.49Å; T315-D373 WeakPolarHBondContact CG2-OD2 3.22Å; D371-D373 VanDerWaalsContact C-N 3.26Å; D371-D373 PolarHBondContact O-N 3.11Å; D371-D373 WeakPolarHBondContact OD1-CB 3.12Å; D371-D373 PolarHBondContact OD1-N 3.43Å; D373-V376 PolarHBondContact O-N 3.2Å; D373-Y377 PolarHBondContact O-N 3.13Å
374S97.1Very high96Very high2 Ų222 Ų221%0.01411%0.112CC..Hα-helixtrans-62.3-45.6173.7-57.10000112.1Y314 M347 D371 V376 Y377 L378Y314-S374 WeakPolarHBondContact CD2-OG 3.47Å; Y314-S374 WeakPolarHBondContact CE2-OG 3.36Å; M347-S374 WeakPolarHBondContact O-CB 3.48Å; M347-S374 PolarHBondContact O-OG 3.41Å; D371-S374 PolarHBondContact O-N 3.24Å; D371-S374 PolarHBondContact OD1-N 2.77Å; S374-V376 VanDerWaalsContact C-N 3.31Å; S374-V376 PolarHBondContact O-N 2.93Å; S374-Y377 WeakPolarHBondContact O-CB 3.25Å; S374-Y377 PolarHBondContact O-N 2.71Å; S374-L378 WeakPolarHBondContact O-CG 2.98Å; S374-L378 PolarHBondContact O-N 3.44Å
375L97.8Very high96.3Very high1 Ų119.6 Ų19.61%0.00510%0.101CC..Hα-helixtrans-59.1-43.2177.8-71.2166.1000111.4I348 A370 D371 T372 L378 M379 L402 L414I348-L375 HydrophobicContact CB-CD2 3.92Å; I348-L375 HydrophobicContact CB-CG 4.38Å; I348-L375 HydrophobicContact CG2-CD2 3.53Å; I348-L375 HydrophobicContact CG2-CG 4.21Å; A370-L375 HydrophobicContact CB-CD1 4.27Å; D371-L375 WeakPolarHBondContact O-CD1 3.37Å; D371-L375 VanDerWaalsContact O-CG 3.22Å; D371-L375 WeakPolarHBondContact O-CG 3.49Å; D371-L375 PolarHBondContact O-N 2.74Å; D371-L375 VanDerWaalsContact O-N 3.08Å; T372-L375 PolarHBondContact O-N 2.99Å; L375-L378 PolarHBondContact O-N 3.43Å; L375-M379 VanDerWaalsContact O-CG 3.31Å; L375-M379 WeakPolarHBondContact O-CG 3.21Å; L375-M379 PolarHBondContact O-N 2.82Å; L375-L402 HydrophobicContact CD2-CD2 4.1Å; L375-L414 HydrophobicContact CB-CD2 4.47Å; L375-L414 HydrophobicContact CD2-CD1 3.46Å; L375-L414 VanDerWaalsContact CD2-CD1 3.46Å; L375-L414 HydrophobicContact CD2-CD2 3.9Å; L375-L414 HydrophobicContact CD2-CG 4.29Å
376V97.4Very high96.4Very high6 Ų621.8 Ų21.84%0.03611%0.111CC..Hα-helixtrans-66.1-39.1177.5167.80000111.6I37 F38 A41 T372 D373 S374 M379 L380I37-V376 HydrophobicContact CB-CG2 4.01Å; I37-V376 HydrophobicContact CG2-CG1 4.35Å; I37-V376 HydrophobicContact CG2-CG2 3.75Å; F38-V376 HydrophobicContact CB-CG1 4.35Å; F38-V376 HydrophobicContact CB-CG2 4.48Å; A41-V376 HydrophobicContact CB-CG1 4.4Å; T372-V376 HydrophobicContact CG2-CG2 4.29Å; T372-V376 WeakPolarHBondContact O-CB 3.48Å; T372-V376 VanDerWaalsContact O-CG2 3.23Å; T372-V376 WeakPolarHBondContact O-CG2 3.3Å; T372-V376 PolarHBondContact O-N 3.28Å; D373-V376 PolarHBondContact O-N 3.2Å; S374-V376 VanDerWaalsContact C-N 3.31Å; S374-V376 PolarHBondContact O-N 2.93Å; V376-M379 PolarHBondContact O-N 3.37Å; V376-L380 HydrophobicContact CG1-CD1 4.09Å; V376-L380 HydrophobicContact CG1-CG 4.46Å; V376-L380 WeakPolarHBondContact O-CB 3.2Å; V376-L380 WeakPolarHBondContact O-CG 3.45Å; V376-L380 PolarHBondContact O-N 3.43Å
377Y98.5Very high96.6Very high0 Ų026.7 Ų26.70%013%0.132CC..Hα-helixtrans-59.1-46172.4163.5-107.4000111.7H274 Y314 L320 L323 L324 M347 D373 S374 M379 L380 A381H274-Y377 HydrophobicContact CB-CE1 4.2Å; H274-Y377 AromaticContact ND1-CZ 3.82Å; H274-Y377 PolarHBondContact ND1-OH 3.33Å; Y314-Y377 AromaticContact CD1-CD1 3.79Å; Y314-Y377 HydrophobicContact CD1-CD1 3.79Å; Y314-Y377 HydrophobicContact CD1-CD2 4.4Å; Y314-Y377 AromaticContact CD1-CG 3.72Å; Y314-Y377 HydrophobicContact CD1-CG 3.72Å; Y314-Y377 AromaticContact CE1-CD1 3.81Å; Y314-Y377 HydrophobicContact CE1-CD1 3.81Å; Y314-Y377 HydrophobicContact CE1-CE1 4.28Å; Y314-Y377 HydrophobicContact CE1-CG 4.22Å; Y314-Y377 HydrophobicContact CG-CG 4.44Å; L320-Y377 HydrophobicContact CD2-CD2 3.83Å; L320-Y377 HydrophobicContact CD2-CG 4.5Å; L323-Y377 HydrophobicContact CB-CE2 3.59Å; L323-Y377 HydrophobicContact CD1-CD2 4.34Å; L323-Y377 HydrophobicContact CD1-CE1 4.39Å; L323-Y377 HydrophobicContact CD1-CE2 3.98Å; L323-Y377 HydrophobicContact CG-CE2 4.46Å; L324-Y377 HydrophobicContact CD2-CE2 4Å; L324-Y377 HydrophobicContact CG-CE2 4.32Å; M347-Y377 HydrophobicContact CE-CD1 3.64Å; M347-Y377 HydrophobicContact CE-CE1 3.8Å; D373-Y377 PolarHBondContact O-N 3.13Å; S374-Y377 WeakPolarHBondContact O-CB 3.25Å; S374-Y377 PolarHBondContact O-N 2.71Å; Y377-M379 PolarHBondContact O-N 3.17Å; Y377-L380 WeakPolarHBondContact O-CB 3.31Å; Y377-L380 PolarHBondContact O-N 2.62Å; Y377-A381 HydrophobicContact CE2-CB 4.37Å; Y377-A381 WeakPolarHBondContact O-CB 3.24Å; Y377-A381 PolarHBondContact O-N 2.95Å
378L98.7Very high96.8Very high0 Ų025.8 Ų25.80%013%0.127CC..Hα-helixtrans-63-40.4177.9-66.3175.4000112.1F341 V344 M347 I348 S374 L375 A381 N382 L414 F416F341-L378 HydrophobicContact CD1-CD2 4.01Å; F341-L378 HydrophobicContact CE1-CD2 4.34Å; V344-L378 HydrophobicContact CG1-CD1 3.92Å; M347-L378 HydrophobicContact CE-CD1 4.32Å; M347-L378 HydrophobicContact CE-CD2 3.64Å; M347-L378 HydrophobicContact CE-CG 3.97Å; M347-L378 HydrophobicContact SD-CD2 4.22Å; I348-L378 HydrophobicContact CG2-CD1 3.82Å; S374-L378 WeakPolarHBondContact O-CG 2.98Å; S374-L378 PolarHBondContact O-N 3.44Å; L375-L378 PolarHBondContact O-N 3.43Å; L378-A381 PolarHBondContact O-N 3.14Å; L378-N382 PolarHBondContact O-N 2.73Å; L378-N382 PolarHBondContact O-ND2 3.38Å; L378-L414 HydrophobicContact CB-CD1 4.44Å; L378-L414 HydrophobicContact CD1-CD1 4.12Å; L378-F416 HydrophobicContact CB-CE2 4.37Å; L378-F416 HydrophobicContact CD1-CE2 4.28Å; L378-F416 HydrophobicContact CD2-CE2 4.39Å; L378-F416 HydrophobicContact CD2-CZ 3.98Å
379M98.5Very high97.1Very high5 Ų519.7 Ų19.73%0.0259%0.092CC..Hα-helixtrans-60.7-45.7172.5-67.5168.477.700111.4Y35 F38 L375 V376 Y377 Y383 V409 L414Y35-M379 HydrophobicContact CD2-CE 4.01Å; F38-M379 HydrophobicContact CB-CE 3.74Å; F38-M379 HydrophobicContact CB-SD 4.09Å; F38-M379 HydrophobicContact CD1-CE 4.03Å; F38-M379 HydrophobicContact CD2-CB 3.69Å; F38-M379 HydrophobicContact CD2-CE 4.44Å; F38-M379 HydrophobicContact CE2-CB 4.18Å; F38-M379 HydrophobicContact CG-CB 4.23Å; F38-M379 HydrophobicContact CG-CE 3.81Å; L375-M379 VanDerWaalsContact O-CG 3.31Å; L375-M379 WeakPolarHBondContact O-CG 3.21Å; L375-M379 PolarHBondContact O-N 2.82Å; V376-M379 PolarHBondContact O-N 3.37Å; Y377-M379 PolarHBondContact O-N 3.17Å; M379-Y383 WeakPolarHBondContact O-CB 3.48Å; M379-Y383 PolarHBondContact O-N 3.44Å; M379-V409 HydrophobicContact CB-CG1 4.12Å; M379-V409 HydrophobicContact CB-CG2 4.27Å; M379-V409 HydrophobicContact CE-CG1 3.64Å; M379-V409 HydrophobicContact CG-CG1 4.39Å; M379-V409 HydrophobicContact CG-CG2 4.5Å; M379-L414 HydrophobicContact CG-CD2 3.75Å; M379-L414 HydrophobicContact SD-CD2 4.26Å
380L98.3Very high97.2Very high0 Ų022.3 Ų22.30%011%0.112CC..Hα-helixtrans-62.1-42.7176.5-74.6168.1000111.7F38 A41 L42 I45 L320 L324 V376 Y377 S384F38-L380 HydrophobicContact CD2-CD2 3.85Å; F38-L380 HydrophobicContact CD2-CG 3.96Å; F38-L380 HydrophobicContact CE2-CD2 3.8Å; F38-L380 HydrophobicContact CE2-CG 4.22Å; A41-L380 HydrophobicContact CB-CD1 3.99Å; A41-L380 HydrophobicContact CB-CD2 4.46Å; L42-L380 HydrophobicContact CB-CD2 4.44Å; I45-L380 HydrophobicContact CD1-CD2 4.35Å; L320-L380 HydrophobicContact CD1-CD1 4.23Å; L320-L380 HydrophobicContact CD2-CD1 4.14Å; L324-L380 HydrophobicContact CD1-CB 4.35Å; L324-L380 HydrophobicContact CD2-CB 4.48Å; V376-L380 HydrophobicContact CG1-CD1 4.09Å; V376-L380 HydrophobicContact CG1-CG 4.46Å; V376-L380 WeakPolarHBondContact O-CB 3.2Å; V376-L380 WeakPolarHBondContact O-CG 3.45Å; V376-L380 PolarHBondContact O-N 3.43Å; Y377-L380 WeakPolarHBondContact O-CB 3.31Å; Y377-L380 PolarHBondContact O-N 2.62Å; L380-S384 WeakPolarHBondContact O-CB 3.42Å; L380-S384 PolarHBondContact O-N 3.05Å; L380-S384 PolarHBondContact O-OG 2.68Å
381A98.6Very high97.3Very high0 Ų028.5 Ų28.50%014%0.139CC..Hα-helixtrans-59.6-57.8178.100000111L324 L327 F341 Y377 L378 S384 M385L324-A381 VanDerWaalsContact CD2-CA 3.49Å; L324-A381 HydrophobicContact CD2-CB 3.95Å; L327-A381 HydrophobicContact CD1-CB 3.64Å; F341-A381 HydrophobicContact CE1-CB 4.39Å; F341-A381 HydrophobicContact CZ-CB 4.22Å; Y377-A381 HydrophobicContact CE2-CB 4.37Å; Y377-A381 WeakPolarHBondContact O-CB 3.24Å; Y377-A381 PolarHBondContact O-N 2.95Å; L378-A381 PolarHBondContact O-N 3.14Å; A381-S384 PolarHBondContact O-N 2.92Å; A381-S384 PolarHBondContact O-OG 3.15Å; A381-S384 VanDerWaalsContact O-OG 3.13Å; A381-M385 WeakPolarHBondContact O-CB 3.42Å; A381-M385 VanDerWaalsContact O-CG 3.27Å; A381-M385 WeakPolarHBondContact O-CG 3.42Å; A381-M385 PolarHBondContact O-N 3.47Å
382N98.7Very high97.4Very high1 Ų128.3 Ų28.31%0.00514%0.138CC..Hα-helixtrans-64.3-45.8-178.8-74.2-44.3000112.2L378 S384 K386 T394 L414 F416L378-N382 PolarHBondContact O-N 2.73Å; L378-N382 PolarHBondContact O-ND2 3.38Å; N382-S384 PolarHBondContact O-N 2.85Å; N382-K386 WeakPolarHBondContact O-CB 3.38Å; N382-K386 WeakPolarHBondContact O-CG 3.34Å; N382-K386 PolarHBondContact O-N 2.87Å; N382-T394 WeakPolarHBondContact OD1-CB 3.36Å; N382-T394 WeakPolarHBondContact OD1-CG2 3.49Å; N382-T394 PolarHBondContact OD1-OG1 3.47Å; N382-L414 WeakPolarHBondContact CB-O 3.38Å; N382-L414 PolarHBondContact ND2-O 3.32Å; N382-F416 WeakPolarHBondContact ND2-CD2 3.45Å
383Y98.2Very high97.5Very high39 Ų3927.7 Ų27.715%0.15313%0.134CC..Hα-helixtrans-61-46.1179.2179.7-95.5000111.8F38 L42 L52 M379 K387 V409 E410F38-Y383 HydrophobicContact CE2-CD1 4.35Å; F38-Y383 HydrophobicContact CE2-CG 4.19Å; F38-Y383 AromaticContact CZ-CD1 3.93Å; F38-Y383 HydrophobicContact CZ-CD1 3.93Å; F38-Y383 HydrophobicContact CZ-CD2 4.04Å; F38-Y383 HydrophobicContact CZ-CE1 4.46Å; F38-Y383 AromaticContact CZ-CG 3.71Å; F38-Y383 HydrophobicContact CZ-CG 3.71Å; L42-Y383 HydrophobicContact CD1-CE1 4.23Å; L42-Y383 HydrophobicContact CD2-CD1 4.35Å; L42-Y383 HydrophobicContact CD2-CE1 3.71Å; L52-Y383 HydrophobicContact CD1-CD1 3.86Å; L52-Y383 HydrophobicContact CD1-CE1 3.81Å; M379-Y383 WeakPolarHBondContact O-CB 3.48Å; M379-Y383 PolarHBondContact O-N 3.44Å; Y383-K387 HydrophobicContact CE1-CD 3.89Å; Y383-K387 WeakPolarHBondContact O-CB 3.18Å; Y383-K387 PolarHBondContact O-N 3.36Å; Y383-K387 PolarHBondContact OH-NZ 2.96Å; Y383-V409 HydrophobicContact CD2-CB 4.45Å; Y383-E410 WeakPolarHBondContact CD2-OE1 3.4Å; Y383-E410 WeakPolarHBondContact CE2-OE1 3.29Å
384S97.2Very high97.7Very high0 Ų026.8 Ų26.80%013%0.129CC..Hα-helixtrans-68.8-46.7-177.963.40000112.4L380 A381 N382 K386 K387 I388L380-S384 WeakPolarHBondContact O-CB 3.42Å; L380-S384 PolarHBondContact O-N 3.05Å; L380-S384 PolarHBondContact O-OG 2.68Å; A381-S384 PolarHBondContact O-N 2.92Å; A381-S384 PolarHBondContact O-OG 3.15Å; A381-S384 VanDerWaalsContact O-OG 3.13Å; N382-S384 PolarHBondContact O-N 2.85Å; S384-K386 PolarHBondContact O-N 3.07Å; S384-K387 PolarHBondContact O-N 3.17Å; S384-I388 VanDerWaalsContact O-CG1 3.31Å; S384-I388 WeakPolarHBondContact O-CG1 3.31Å; S384-I388 PolarHBondContact O-N 2.8Å; S384-I388 VanDerWaalsContact O-N 3.13Å
385M97.7Very high97.8Very high2 Ų226.7 Ų26.71%0.0113%0.129CC..Hα-helixtrans-64.2-43.6-178.9-65.9-57.899.400111T56 L327 R328 I331 A381 K387 I388 Y389 I392T56-M385 HydrophobicContact CG2-CE 3.77Å; L327-M385 HydrophobicContact CB-CE 4.47Å; L327-M385 HydrophobicContact CB-CG 4.1Å; L327-M385 HydrophobicContact CB-SD 3.66Å; L327-M385 HydrophobicContact CD1-CG 4.01Å; R328-M385 HydrophobicContact CB-CE 4.38Å; R328-M385 HydrophobicContact CB-SD 4.5Å; I331-M385 HydrophobicContact CD1-SD 3.71Å; A381-M385 WeakPolarHBondContact O-CB 3.42Å; A381-M385 VanDerWaalsContact O-CG 3.27Å; A381-M385 WeakPolarHBondContact O-CG 3.42Å; A381-M385 PolarHBondContact O-N 3.47Å; M385-K387 PolarHBondContact O-N 2.91Å; M385-I388 HydrophobicContact CE-CD1 4.44Å; M385-I388 PolarHBondContact O-N 2.95Å; M385-Y389 CarbonylContact O-C 3.49Å; M385-Y389 WeakPolarHBondContact O-CA 3.33Å; M385-Y389 PolarHBondContact O-N 3.38Å; M385-I392 HydrophobicContact CB-CG2 4Å
386K97.3Very high97.8Very high56 Ų5626.7 Ų26.724%0.24313%0.129CC..Hα-helixtrans-69.6-31.3178.1-69.5-179.8175.5-170.90113.7N382 S384 I388 Y389 P390 I392 G415 D417N382-K386 WeakPolarHBondContact O-CB 3.38Å; N382-K386 WeakPolarHBondContact O-CG 3.34Å; N382-K386 PolarHBondContact O-N 2.87Å; S384-K386 PolarHBondContact O-N 3.07Å; K386-I388 VanDerWaalsContact C-N 3.33Å; K386-Y389 CarbonylContact O-C 3.52Å; K386-P390 VanDerWaalsContact O-CA 3.3Å; K386-P390 WeakPolarHBondContact O-CA 3.41Å; K386-I392 HydrophobicContact CG-CG2 3.79Å; K386-G415 WeakPolarHBondContact CE-O 3.34Å; K386-G415 PolarHBondContact NZ-O 3.29Å; K386-D417 WeakPolarHBondContact CE-OD2 3.24Å; K386-D417 IonicContact NZ-OD1 3.75Å; K386-D417 PolarHBondContact NZ-OD1 2.95Å; K386-D417 IonicContact NZ-OD2 3.36Å; K386-D417 PolarHBondContact NZ-OD2 2.86Å
387K96.6Very high97.8Very high125 Ų12527.6 Ų27.654%0.54313%0.132SC..Hα-helixtrans-68.1-34.2175.2-173.6171.8-174.1173.20112.4L52 Y383 S384 M385L52-K387 HydrophobicContact CD1-CD 4.35Å; Y383-K387 HydrophobicContact CE1-CD 3.89Å; Y383-K387 WeakPolarHBondContact O-CB 3.18Å; Y383-K387 PolarHBondContact O-N 3.36Å; Y383-K387 PolarHBondContact OH-NZ 2.96Å; S384-K387 PolarHBondContact O-N 3.17Å; M385-K387 PolarHBondContact O-N 2.91Å
388I97Very high97.7Very high44 Ų4427.6 Ų27.623%0.22613%0.132CC..Hα-helixtrans-88.7-40.4-179.3-58.6165.9000110.8T56 S384 M385 K386T56-I388 HydrophobicContact CG2-CD1 4.44Å; S384-I388 VanDerWaalsContact O-CG1 3.31Å; S384-I388 WeakPolarHBondContact O-CG1 3.31Å; S384-I388 PolarHBondContact O-N 2.8Å; S384-I388 VanDerWaalsContact O-N 3.13Å; M385-I388 HydrophobicContact CE-CD1 4.44Å; M385-I388 PolarHBondContact O-N 2.95Å; K386-I388 VanDerWaalsContact C-N 3.33Å
389Y96.9Very high97.4Very high41 Ų4131.7 Ų31.716%0.16116%0.157CC..  trans-126.988.2-178.5-48.2-79.1000109.6R328 I331 E332 M385 K386 H391 I392R328-Y389 HydrophobicContact CG-CE2 4.29Å; R328-Y389 WeakPolarHBondContact CG-OH 3.49Å; R328-Y389 PolarHBondContact NE-OH 2.81Å; I331-Y389 HydrophobicContact CB-CE2 4.43Å; I331-Y389 HydrophobicContact CD1-CD2 3.75Å; I331-Y389 HydrophobicContact CD1-CE2 3.95Å; I331-Y389 HydrophobicContact CD1-CG 4.47Å; I331-Y389 HydrophobicContact CG2-CD1 3.85Å; I331-Y389 HydrophobicContact CG2-CD2 4.03Å; I331-Y389 HydrophobicContact CG2-CE1 3.69Å; I331-Y389 HydrophobicContact CG2-CE2 3.87Å; I331-Y389 HydrophobicContact CG2-CG 4.02Å; E332-Y389 VanDerWaalsContact CG-OH 3.23Å; E332-Y389 WeakPolarHBondContact CG-OH 3.43Å; E332-Y389 PolarHBondContact OE1-OH 3.23Å; M385-Y389 CarbonylContact O-C 3.49Å; M385-Y389 WeakPolarHBondContact O-CA 3.33Å; M385-Y389 PolarHBondContact O-N 3.38Å; K386-Y389 CarbonylContact O-C 3.52Å; Y389-H391 PolarHBondContact O-N 3.36Å; Y389-I392 WeakPolarHBondContact O-CB 3.21Å; Y389-I392 VanDerWaalsContact O-CG2 3.25Å; Y389-I392 WeakPolarHBondContact O-CG2 3.21Å; Y389-I392 PolarHBondContact O-N 2.91Å; Y389-I392 VanDerWaalsContact O-N 3.08Å
390P96.3Very high97.1Very high93 Ų9331.7 Ų31.760%0.60416%0.158SC*.THydrogen-bonded Turntrans-60-21-172.7-27.936.3000115.9K386K386-P390 VanDerWaalsContact O-CA 3.3Å; K386-P390 WeakPolarHBondContact O-CA 3.41Å
391H96.1Very high96.9Very high135 Ų13532.6 Ų32.663%0.62517%0.167SC*.THydrogen-bonded Turntrans-99.77.1-177.9-57.5-61.6000113.4Y389 I393Y389-H391 PolarHBondContact O-N 3.36Å; H391-I393 PolarHBondContact O-N 2.6Å
392I97.4Very high96.8Very high8 Ų832.8 Ų32.84%0.04117%0.168CC..  trans-68.9128.3178.2-158.877.9000110I331 D337 F339 M385 K386 Y389I331-I392 HydrophobicContact CD1-CD1 3.55Å; I331-I392 HydrophobicContact CD1-CG1 4.08Å; I331-I392 HydrophobicContact CG1-CD1 3.66Å; D337-I392 VanDerWaalsContact C-CD1 3.41Å; D337-I392 WeakPolarHBondContact O-CD1 3.32Å; F339-I392 HydrophobicContact CE2-CD1 4.46Å; F339-I392 HydrophobicContact CE2-CG1 4.33Å; M385-I392 HydrophobicContact CB-CG2 4Å; K386-I392 HydrophobicContact CG-CG2 3.79Å; Y389-I392 WeakPolarHBondContact O-CB 3.21Å; Y389-I392 VanDerWaalsContact O-CG2 3.25Å; Y389-I392 WeakPolarHBondContact O-CG2 3.21Å; Y389-I392 PolarHBondContact O-N 2.91Å; Y389-I392 VanDerWaalsContact O-N 3.08Å
393I98.6Very high96.6Very high3 Ų332.9 Ų32.92%0.01517%0.169CC..EExtended strand (participates in β ladder)trans-94.1137.3177.5-69.6157.6000109.7E178 L182 I267 L269 D337 G338 F339 H391 I395 Y418E178-I393 HydrophobicContact CG-CD1 4.25Å; L182-I393 HydrophobicContact CD1-CD1 4.41Å; L182-I393 HydrophobicContact CD1-CG2 3.9Å; L182-I393 HydrophobicContact CD2-CD1 3.87Å; I267-I393 HydrophobicContact CD1-CD1 3.38Å; L269-I393 HydrophobicContact CD1-CG2 4.26Å; L269-I393 HydrophobicContact CD2-CB 4.07Å; L269-I393 HydrophobicContact CD2-CG2 4.28Å; D337-I393 PolarHBondContact O-N 3.14Å; D337-I393 VanDerWaalsContact O-N 3.09Å; G338-I393 CarbonylContact C-O 3.5Å; G338-I393 WeakPolarHBondContact CA-O 3.27Å; F339-I393 PolarHBondContact N-O 2.76Å; H391-I393 PolarHBondContact O-N 2.6Å; I393-I395 HydrophobicContact CG2-CG1 4.22Å; I393-Y418 HydrophobicContact CG2-CD2 4.38Å
394T98.8Very high96.6Very high1 Ų131.2 Ų31.21%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-130.2125.4177.354.10000111.2F339 F341 N382 D417 Y418F339-T394 HydrophobicContact CD2-CG2 4.5Å; F339-T394 CarbonylContact O-C 3.52Å; F339-T394 WeakPolarHBondContact O-CA 3.35Å; F341-T394 HydrophobicContact CE2-CG2 4.4Å; N382-T394 WeakPolarHBondContact OD1-CB 3.36Å; N382-T394 WeakPolarHBondContact OD1-CG2 3.49Å; N382-T394 PolarHBondContact OD1-OG1 3.47Å; T394-D417 PolarHBondContact N-OD2 3.07Å; T394-D417 WeakPolarHBondContact O-CA 3.37Å; T394-D417 WeakPolarHBondContact O-CB 3.32Å; T394-D417 PolarHBondContact O-N 3.5Å; T394-D417 PolarHBondContact OG1-N 3.4Å; T394-D417 PolarHBondContact OG1-OD2 2.49Å; T394-Y418 PolarHBondContact O-N 2.93Å; T394-Y418 VanDerWaalsContact O-N 3.14Å
395I98.9Very high96.6Very high1 Ų131.2 Ų31.21%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-114.8134.2-180-51.3-180000108.6L182 I184 L269 F339 R340 F341 I393 Y418 L420 I459L182-I395 HydrophobicContact CD1-CD1 4.48Å; I184-I395 HydrophobicContact CD1-CD1 3.62Å; L269-I395 HydrophobicContact CD1-CD1 3.58Å; L269-I395 HydrophobicContact CD1-CG1 4.35Å; F339-I395 PolarHBondContact O-N 2.77Å; R340-I395 CarbonylContact C-O 3.57Å; R340-I395 VanDerWaalsContact CA-O 3.31Å; R340-I395 WeakPolarHBondContact CA-O 3.42Å; R340-I395 HydrophobicContact CB-CB 4.28Å; R340-I395 HydrophobicContact CG-CB 4.29Å; R340-I395 HydrophobicContact CG-CG2 4.35Å; F341-I395 PolarHBondContact N-O 2.86Å; I393-I395 HydrophobicContact CG2-CG1 4.22Å; I395-Y418 CarbonylContact C-O 3.36Å; I395-Y418 VanDerWaalsContact CA-O 3.32Å; I395-Y418 WeakPolarHBondContact CA-O 3.3Å; I395-L420 HydrophobicContact CG2-CD2 3.86Å; I395-L420 HydrophobicContact CG2-CG 4.16Å; I395-I459 HydrophobicContact CD1-CG1 4.25Å; I395-I459 HydrophobicContact CG2-CG1 4.47Å
396A98.8Very high96.6Very high0 Ų031.7 Ų31.70%017%0.166CC..EExtended strand (participates in β ladder)trans-100.1124.7172.600000111.3V344 E398 L405 F416 Y418 R419 L420V344-A396 HydrophobicContact CG2-CB 4.15Å; A396-E398 HydrophobicContact CB-CB 4.23Å; A396-E398 PolarHBondContact O-N 3.01Å; A396-L405 HydrophobicContact CB-CD2 3.79Å; A396-L405 HydrophobicContact CB-CG 4.3Å; A396-F416 HydrophobicContact CB-CB 4.44Å; A396-F416 HydrophobicContact CB-CD1 3.81Å; A396-F416 HydrophobicContact CB-CD2 3.96Å; A396-F416 HydrophobicContact CB-CE1 3.93Å; A396-F416 HydrophobicContact CB-CE2 4.09Å; A396-F416 HydrophobicContact CB-CG 3.81Å; A396-F416 HydrophobicContact CB-CZ 4.05Å; A396-Y418 PolarHBondContact N-O 2.79Å; A396-R419 WeakPolarHBondContact O-CA 3.37Å; A396-L420 PolarHBondContact O-N 3.47Å
397E97.8Very high96.6Very high25 Ų2530.8 Ų30.812%0.11716%0.162CC..  trans-81.192161.4-175.3-173.2-107.900108.6F341 G343 V344 L420 M422F341-E397 WeakPolarHBondContact O-CB 3.23Å; F341-E397 PolarHBondContact O-N 2.85Å; G343-E397 PolarHBondContact N-OE2 3.27Å; V344-E397 WeakPolarHBondContact CB-O 3.49Å; V344-E397 PolarHBondContact N-O 2.99Å; E397-L420 HydrophobicContact CB-CD1 4.23Å; E397-L420 HydrophobicContact CG-CD1 4.18Å; E397-M422 HydrophobicContact CG-CE 3.96Å; E397-M422 HydrophobicContact CG-SD 4.07Å
398E95.2Very high96.7Very high0 Ų027.4 Ų27.40%015%0.152CC..  trans-140.2118.2-171.7-158.8-62.9111.100109.7V344 T345 I348 A396 S400 G401 L402 L405 R419V344-E398 HydrophobicContact CB-CB 4.15Å; V344-E398 HydrophobicContact CB-CG 4.21Å; V344-E398 HydrophobicContact CG1-CB 4.22Å; V344-E398 HydrophobicContact CG1-CG 3.86Å; T345-E398 WeakPolarHBondContact OG1-CA 3.34Å; T345-E398 PolarHBondContact OG1-OE1 3.18Å; I348-E398 HydrophobicContact CD1-CG 3.98Å; A396-E398 HydrophobicContact CB-CB 4.23Å; A396-E398 PolarHBondContact O-N 3.01Å; E398-S400 VanDerWaalsContact CD-N 3.34Å; E398-S400 WeakPolarHBondContact OE1-CA 3.43Å; E398-S400 WeakPolarHBondContact OE1-CB 3.41Å; E398-S400 PolarHBondContact OE1-N 3.44Å; E398-S400 PolarHBondContact OE1-OG 2.85Å; E398-S400 PolarHBondContact OE2-N 3.39Å; E398-S400 PolarHBondContact OE2-OG 2.74Å; E398-G401 PolarHBondContact OE2-N 2.71Å; E398-L402 PolarHBondContact OE2-N 3.48Å; E398-L405 HydrophobicContact CB-CD2 3.63Å; E398-L405 HydrophobicContact CG-CD1 4.48Å; E398-L405 HydrophobicContact CG-CD2 3.72Å; E398-R419 PolarHBondContact O-NH2 3.13Å; E398-R419 IonicContact OE2-CZ 2.82Å; E398-R419 IonicContact OE2-NH1 3.67Å; E398-R419 IonicContact OE2-NH2 3.38Å; E398-R419 PolarHBondContact OE2-NH2 3.49Å
399V92.5Very high96.7Very high87 Ų8725.4 Ų25.453%0.52714%0.142SC..  trans-95.4-21.3-173.865.60000114.3T345 G401 M422T345-V399 HydrophobicContact CG2-CG1 3.81Å; T345-V399 WeakPolarHBondContact OG1-CG1 3.25Å; T345-V399 PolarHBondContact OG1-N 2.91Å; V399-G401 PolarHBondContact O-N 2.87Å; V399-M422 HydrophobicContact CB-SD 3.8Å; V399-M422 HydrophobicContact CG2-CB 4.4Å; V399-M422 HydrophobicContact CG2-SD 4.48Å
400S93Very high96.8Very high4 Ų426.6 Ų26.63%0.02815%0.149CC..SBendtrans-70.6-29-170.686.20000114.8Y349 F358 Y365 E398 L402Y349-S400 PolarHBondContact OH-OG 3.19Å; F358-S400 WeakPolarHBondContact CB-O 3.5Å; F358-S400 VanDerWaalsContact CE2-CB 3.41Å; F358-S400 VanDerWaalsContact CZ-CB 3.43Å; Y365-S400 VanDerWaalsContact CE1-O 3.25Å; Y365-S400 WeakPolarHBondContact CE1-O 3.17Å; Y365-S400 PolarHBondContact OH-O 3.27Å; E398-S400 VanDerWaalsContact CD-N 3.34Å; E398-S400 WeakPolarHBondContact OE1-CA 3.43Å; E398-S400 WeakPolarHBondContact OE1-CB 3.41Å; E398-S400 PolarHBondContact OE1-N 3.44Å; E398-S400 PolarHBondContact OE1-OG 2.85Å; E398-S400 PolarHBondContact OE2-N 3.39Å; E398-S400 PolarHBondContact OE2-OG 2.74Å; S400-L402 PolarHBondContact OG-N 3.29Å
401G93.4Very high96.8Very high19 Ų1922.7 Ų22.720%0.19612%0.123CC..  trans93.818.3-174.600000114.3E398 V399 P403 R419E398-G401 PolarHBondContact OE2-N 2.71Å; V399-G401 PolarHBondContact O-N 2.87Å; G401-P403 WeakPolarHBondContact O-CD 3.36Å; G401-P403 VanDerWaalsContact O-N 3.15Å; G401-R419 VanDerWaalsContact C-NH1 3.33Å; G401-R419 VanDerWaalsContact CA-NH1 3.28Å; G401-R419 VanDerWaalsContact CA-NH2 3.35Å
402L95.9Very high96.8Very high4 Ų417 Ų172%0.02110%0.1CC..  trans-46.6119.1-17617664.8000111.8I348 Y365 F366 L375 E398 S400 L405 L414I348-L402 HydrophobicContact CD1-CB 4.2Å; I348-L402 HydrophobicContact CD1-CD2 3.83Å; Y365-L402 HydrophobicContact CG-CD1 4.33Å; F366-L402 HydrophobicContact CZ-CD1 4.45Å; L375-L402 HydrophobicContact CD2-CD2 4.1Å; E398-L402 PolarHBondContact OE2-N 3.48Å; S400-L402 PolarHBondContact OG-N 3.29Å; L402-L405 HydrophobicContact CD2-CD1 4.17Å; L402-L405 WeakPolarHBondContact O-CB 3.16Å; L402-L414 HydrophobicContact CD2-CD1 4.06Å
403P96.3Very high96.8Very high3 Ų316.6 Ų16.62%0.01910%0.099CC..THydrogen-bonded Turntrans-61.2145.5175.1-27.936.3000113.2L24 Y362 Y365 F366 G401 L405L24-P403 HydrophobicContact CD1-CB 4.5Å; L24-P403 HydrophobicContact CD2-CB 3.99Å; Y362-P403 HydrophobicContact CD1-CG 4.41Å; Y362-P403 HydrophobicContact CD2-CG 4.31Å; Y362-P403 HydrophobicContact CE1-CG 4.2Å; Y362-P403 HydrophobicContact CE2-CB 4.4Å; Y362-P403 HydrophobicContact CE2-CG 4.05Å; Y362-P403 HydrophobicContact CG-CG 4.49Å; Y365-P403 HydrophobicContact CD2-CG 3.76Å; Y365-P403 HydrophobicContact CE2-CG 4.1Å; F366-P403 HydrophobicContact CE2-CB 4.42Å; F366-P403 HydrophobicContact CE2-CG 4.25Å; F366-P403 HydrophobicContact CZ-CB 4.34Å; G401-P403 WeakPolarHBondContact O-CD 3.36Å; G401-P403 VanDerWaalsContact O-N 3.15Å; P403-L405 PolarHBondContact O-N 3.19Å
404A96.7Very high96.8Very high5 Ų517 Ų174%0.04110%0.1CC..THydrogen-bonded Turntrans64.412.8178.600000114.9L17 L24 C406 R407 G413 L414 E456L17-A404 HydrophobicContact CD1-CB 3.82Å; L17-A404 HydrophobicContact CD2-CB 3.7Å; L17-A404 HydrophobicContact CG-CB 4.4Å; L24-A404 HydrophobicContact CD1-CB 4.41Å; A404-C406 PolarHBondContact O-N 3.45Å; A404-R407 HydrophobicContact CB-CB 4.27Å; A404-R407 HydrophobicContact CB-CG 4.21Å; A404-R407 PolarHBondContact O-N 3.38Å; A404-G413 CarbonylContact O-C 3.57Å; A404-G413 WeakPolarHBondContact O-CA 3.41Å; A404-L414 PolarHBondContact O-N 3.37Å; A404-E456 PolarHBondContact N-OE1 3.44Å; A404-E456 PolarHBondContact N-OE2 3.33Å
405L97.6Very high96.7Very high0 Ų017 Ų170%010%0.102CC..THydrogen-bonded Turntrans-56.4-44175.2-179.772.8000110.8V344 A396 E398 L402 P403 L414 F416 R419 E456V344-L405 HydrophobicContact CG1-CD1 4.42Å; A396-L405 HydrophobicContact CB-CD2 3.79Å; A396-L405 HydrophobicContact CB-CG 4.3Å; E398-L405 HydrophobicContact CB-CD2 3.63Å; E398-L405 HydrophobicContact CG-CD1 4.48Å; E398-L405 HydrophobicContact CG-CD2 3.72Å; L402-L405 HydrophobicContact CD2-CD1 4.17Å; L402-L405 WeakPolarHBondContact O-CB 3.16Å; P403-L405 PolarHBondContact O-N 3.19Å; L405-L414 HydrophobicContact CD1-CB 4.28Å; L405-L414 HydrophobicContact CD1-CD1 3.56Å; L405-L414 HydrophobicContact CD1-CG 4.15Å; L405-F416 HydrophobicContact CD1-CD2 3.87Å; L405-F416 HydrophobicContact CD1-CE2 4.13Å; L405-F416 HydrophobicContact CG-CD2 4.13Å; L405-F416 PolarHBondContact O-N 3.35Å; L405-R419 HydrophobicContact CD2-CB 4.18Å; L405-E456 PolarHBondContact N-OE2 3.24Å; L405-E456 VanDerWaalsContact N-OE2 3.11Å
406C98.1Very high96.7Very high11 Ų1117.1 Ų17.17%0.07410%0.102CC..THydrogen-bonded Turntrans-101.533-177.1-54.70000112.7A404 F416 R419 E456A404-C406 PolarHBondContact O-N 3.45Å; C406-F416 CarbonylContact C-O 3.43Å; C406-F416 WeakPolarHBondContact CA-O 3.07Å; C406-R419 PolarHBondContact SG-N 3.31Å; C406-R419 VanDerWaalsContact SG-N 3.42Å; C406-E456 HydrophobicContact CB-CB 4.01Å; C406-E456 HydrophobicContact CB-CG 4.24Å; C406-E456 PolarHBondContact N-OE2 3.26Å
407R97.6Very high96.7Very high38 Ų3818.6 Ų18.614%0.14311%0.11CC..SBendtrans-114.2151.8175-62.2-60.1-55.4173.42.8110.5L17 A404 E411 G413 G415 G455 E456L17-R407 HydrophobicContact CD1-CB 4.39Å; L17-R407 HydrophobicContact CD1-CG 3.89Å; A404-R407 HydrophobicContact CB-CB 4.27Å; A404-R407 HydrophobicContact CB-CG 4.21Å; A404-R407 PolarHBondContact O-N 3.38Å; R407-E411 IonicContact CZ-OE1 2.77Å; R407-E411 IonicContact CZ-OE2 3.69Å; R407-E411 VanDerWaalsContact CZ-OE2 3.23Å; R407-E411 IonicContact NE-OE2 3.74Å; R407-E411 PolarHBondContact NE-OE2 2.79Å; R407-E411 IonicContact NH2-OE1 2.76Å; R407-E411 PolarHBondContact NH2-OE1 2.86Å; R407-E411 IonicContact NH2-OE2 3.49Å; R407-E411 PolarHBondContact NH2-OE2 3.42Å; R407-G413 CarbonylContact O-C 3.53Å; R407-G413 WeakPolarHBondContact O-CA 3.4Å; R407-G415 VanDerWaalsContact O-CA 3.23Å; R407-G415 WeakPolarHBondContact O-CA 3.33Å; R407-G415 PolarHBondContact O-N 2.7Å; R407-G455 WeakPolarHBondContact CD-O 3.23Å; R407-G455 PolarHBondContact NH1-O 3.42Å; R407-E456 HydrophobicContact CG-CG 3.93Å
408P97.7Very high96.7Very high53 Ų5317.8 Ų17.834%0.34411%0.106SC..  trans-52.7149.2178.4-25.933.6000113.3E410 E411 G412 G413P408-E410 PolarHBondContact O-N 3.01Å; P408-E411 HydrophobicContact CB-CB 4.47Å; P408-E411 HydrophobicContact CB-CG 4.18Å; P408-E411 HydrophobicContact CG-CG 4.24Å; P408-E411 WeakPolarHBondContact O-CB 3.5Å; P408-E411 PolarHBondContact O-N 2.83Å; P408-E411 VanDerWaalsContact O-N 3.1Å; P408-G412 PolarHBondContact O-N 3.37Å; P408-G413 PolarHBondContact O-N 3.2Å
409V98Very high96.9Very high3 Ų318.8 Ų18.82%0.01811%0.109CC..G310 helixtrans-63.8-33.9179.9175.70000110.9Y35 F38 M379 Y383 E411 G412Y35-V409 HydrophobicContact CE2-CG1 4.42Å; Y35-V409 WeakPolarHBondContact CE2-O 3.5Å; F38-V409 HydrophobicContact CD1-CG1 4.03Å; F38-V409 HydrophobicContact CD2-CG1 4.45Å; F38-V409 HydrophobicContact CE1-CG1 3.61Å; F38-V409 HydrophobicContact CE2-CG1 4.06Å; F38-V409 HydrophobicContact CG-CG1 4.44Å; F38-V409 HydrophobicContact CZ-CG1 3.64Å; M379-V409 HydrophobicContact CB-CG1 4.12Å; M379-V409 HydrophobicContact CB-CG2 4.27Å; M379-V409 HydrophobicContact CE-CG1 3.64Å; M379-V409 HydrophobicContact CG-CG1 4.39Å; M379-V409 HydrophobicContact CG-CG2 4.5Å; Y383-V409 HydrophobicContact CD2-CB 4.45Å; V409-E411 VanDerWaalsContact C-N 3.26Å; V409-E411 PolarHBondContact O-N 2.85Å; V409-G412 PolarHBondContact O-N 3.11Å
410E97.4Very high97.2Very high65 Ų6514.9 Ų14.930%0.3049%0.086SC..G310 helixtrans-67-24.8176.9-62.484.3173.600113.2P11 P12 E13 Y383 P408 G412P11-E410 VanDerWaalsContact CB-O 3.22Å; P11-E410 WeakPolarHBondContact CB-O 3.33Å; P12-E410 VanDerWaalsContact CD-O 3.3Å; P12-E410 WeakPolarHBondContact CD-O 3.42Å; P12-E410 HydrophobicContact CG-CB 4.14Å; E13-E410 HydrophobicContact CG-CB 4.45Å; E13-E410 PolarHBondContact N-O 2.87Å; Y383-E410 WeakPolarHBondContact CD2-OE1 3.4Å; Y383-E410 WeakPolarHBondContact CE2-OE1 3.29Å; P408-E410 PolarHBondContact O-N 3.01Å; E410-G412 VanDerWaalsContact C-N 3.31Å
411E97.1Very high97.4Very high12 Ų1215.5 Ų15.56%0.0569%0.091CC..G310 helixtrans-84.4-6.9171.8-66.7-171.7176.100112.4E13 F14 N16 L17 R407 P408 V409E13-E411 HydrophobicContact CB-CG 3.91Å; F14-E411 WeakPolarHBondContact CD2-O 3.45Å; N16-E411 HydrophobicContact CB-CG 4.18Å; N16-E411 WeakPolarHBondContact CB-OE1 3.12Å; L17-E411 HydrophobicContact CB-CB 4.27Å; L17-E411 WeakPolarHBondContact CD2-O 3.45Å; R407-E411 IonicContact CZ-OE1 2.77Å; R407-E411 IonicContact CZ-OE2 3.69Å; R407-E411 VanDerWaalsContact CZ-OE2 3.23Å; R407-E411 IonicContact NE-OE2 3.74Å; R407-E411 PolarHBondContact NE-OE2 2.79Å; R407-E411 IonicContact NH2-OE1 2.76Å; R407-E411 PolarHBondContact NH2-OE1 2.86Å; R407-E411 IonicContact NH2-OE2 3.49Å; R407-E411 PolarHBondContact NH2-OE2 3.42Å; P408-E411 HydrophobicContact CB-CB 4.47Å; P408-E411 HydrophobicContact CB-CG 4.18Å; P408-E411 HydrophobicContact CG-CG 4.24Å; P408-E411 WeakPolarHBondContact O-CB 3.5Å; P408-E411 PolarHBondContact O-N 2.83Å; P408-E411 VanDerWaalsContact O-N 3.1Å; V409-E411 VanDerWaalsContact C-N 3.26Å; V409-E411 PolarHBondContact O-N 2.85Å
412G96.1Very high97.5Very high14 Ų1416.5 Ų16.514%0.1449%0.091CC..THydrogen-bonded Turntrans93.310.2-173.600000114.6P408 V409 E410P408-G412 PolarHBondContact O-N 3.37Å; V409-G412 PolarHBondContact O-N 3.11Å; E410-G412 VanDerWaalsContact C-N 3.31Å
413G97.2Very high97.4Very high1 Ų119.4 Ų19.41%0.0112%0.115CC..SBendtrans-84.8-173.5172.600000113.8A404 R407 P408A404-G413 CarbonylContact O-C 3.57Å; A404-G413 WeakPolarHBondContact O-CA 3.41Å; R407-G413 CarbonylContact O-C 3.53Å; R407-G413 WeakPolarHBondContact O-CA 3.4Å; P408-G413 PolarHBondContact O-N 3.2Å
414L98Very high97.5Very high10 Ų1019.4 Ų19.45%0.05212%0.115CC..  trans-94.5-9.1175.9-58-162.3000113.9L375 L378 M379 N382 L402 A404 L405 F416L375-L414 HydrophobicContact CB-CD2 4.47Å; L375-L414 HydrophobicContact CD2-CD1 3.46Å; L375-L414 VanDerWaalsContact CD2-CD1 3.46Å; L375-L414 HydrophobicContact CD2-CD2 3.9Å; L375-L414 HydrophobicContact CD2-CG 4.29Å; L378-L414 HydrophobicContact CB-CD1 4.44Å; L378-L414 HydrophobicContact CD1-CD1 4.12Å; M379-L414 HydrophobicContact CG-CD2 3.75Å; M379-L414 HydrophobicContact SD-CD2 4.26Å; N382-L414 WeakPolarHBondContact CB-O 3.38Å; N382-L414 PolarHBondContact ND2-O 3.32Å; L402-L414 HydrophobicContact CD2-CD1 4.06Å; A404-L414 PolarHBondContact O-N 3.37Å; L405-L414 HydrophobicContact CD1-CB 4.28Å; L405-L414 HydrophobicContact CD1-CD1 3.56Å; L405-L414 HydrophobicContact CD1-CG 4.15Å; L414-F416 HydrophobicContact CB-CD2 4.06Å; L414-F416 HydrophobicContact CB-CE2 4.31Å
415G98.1Very high97.5Very high3 Ų319.3 Ų19.33%0.03111%0.114CC..  trans86.28.2173.900000115.8K386 R407K386-G415 WeakPolarHBondContact CE-O 3.34Å; K386-G415 PolarHBondContact NZ-O 3.29Å; R407-G415 VanDerWaalsContact O-CA 3.23Å; R407-G415 WeakPolarHBondContact O-CA 3.33Å; R407-G415 PolarHBondContact O-N 2.7Å
416F98.7Very high97.3Very high3 Ų323.8 Ų23.81%0.01314%0.138CC..  trans-67.4152.1172.8-72.9-81000111.6F341 V344 L378 N382 A396 L405 C406 L414F341-F416 HydrophobicContact CB-CE1 3.88Å; F341-F416 HydrophobicContact CB-CZ 4.05Å; F341-F416 AromaticContact CD2-CE1 3.62Å; F341-F416 HydrophobicContact CD2-CE1 3.62Å; F341-F416 HydrophobicContact CD2-CZ 4.28Å; F341-F416 HydrophobicContact CE2-CE1 4.31Å; F341-F416 AromaticContact CG-CE1 3.83Å; F341-F416 HydrophobicContact CG-CE1 3.83Å; F341-F416 HydrophobicContact CG-CZ 4.07Å; V344-F416 HydrophobicContact CG2-CZ 4.23Å; L378-F416 HydrophobicContact CB-CE2 4.37Å; L378-F416 HydrophobicContact CD1-CE2 4.28Å; L378-F416 HydrophobicContact CD2-CE2 4.39Å; L378-F416 HydrophobicContact CD2-CZ 3.98Å; N382-F416 WeakPolarHBondContact ND2-CD2 3.45Å; A396-F416 HydrophobicContact CB-CB 4.44Å; A396-F416 HydrophobicContact CB-CD1 3.81Å; A396-F416 HydrophobicContact CB-CD2 3.96Å; A396-F416 HydrophobicContact CB-CE1 3.93Å; A396-F416 HydrophobicContact CB-CE2 4.09Å; A396-F416 HydrophobicContact CB-CG 3.81Å; A396-F416 HydrophobicContact CB-CZ 4.05Å; L405-F416 HydrophobicContact CD1-CD2 3.87Å; L405-F416 HydrophobicContact CD1-CE2 4.13Å; L405-F416 HydrophobicContact CG-CD2 4.13Å; L405-F416 PolarHBondContact O-N 3.35Å; C406-F416 CarbonylContact C-O 3.43Å; C406-F416 WeakPolarHBondContact CA-O 3.07Å; L414-F416 HydrophobicContact CB-CD2 4.06Å; L414-F416 HydrophobicContact CB-CE2 4.31Å
417D98.4Very high97.3Very high30 Ų3024.2 Ų24.216%0.1614%0.139CC..SBendtrans-84.8-39.4174.1-61-67.6000111.9K386 T394 K457K386-D417 WeakPolarHBondContact CE-OD2 3.24Å; K386-D417 IonicContact NZ-OD1 3.75Å; K386-D417 PolarHBondContact NZ-OD1 2.95Å; K386-D417 IonicContact NZ-OD2 3.36Å; K386-D417 PolarHBondContact NZ-OD2 2.86Å; T394-D417 PolarHBondContact N-OD2 3.07Å; T394-D417 WeakPolarHBondContact O-CA 3.37Å; T394-D417 WeakPolarHBondContact O-CB 3.32Å; T394-D417 PolarHBondContact O-N 3.5Å; T394-D417 PolarHBondContact OG1-N 3.4Å; T394-D417 PolarHBondContact OG1-OD2 2.49Å; D417-K457 WeakPolarHBondContact O-CB 3.4Å; D417-K457 WeakPolarHBondContact O-CE 3.37Å
418Y98.7Very high97.3Very high8 Ų822.5 Ų22.53%0.03113%0.132CC..EExtended strand (participates in β ladder)trans-138.6157.5-178.5-60.3-98.2000112.1L182 I393 T394 I395 A396 K457 I459 E518L182-Y418 HydrophobicContact CD1-CD2 3.98Å; L182-Y418 HydrophobicContact CD1-CE2 3.64Å; L182-Y418 HydrophobicContact CG-CE2 4.23Å; I393-Y418 HydrophobicContact CG2-CD2 4.38Å; T394-Y418 PolarHBondContact O-N 2.93Å; T394-Y418 VanDerWaalsContact O-N 3.14Å; I395-Y418 CarbonylContact C-O 3.36Å; I395-Y418 VanDerWaalsContact CA-O 3.32Å; I395-Y418 WeakPolarHBondContact CA-O 3.3Å; A396-Y418 PolarHBondContact N-O 2.79Å; Y418-K457 VanDerWaalsContact CA-O 3.3Å; Y418-K457 WeakPolarHBondContact CA-O 3.42Å; Y418-K457 HydrophobicContact CD1-CB 3.36Å; Y418-K457 HydrophobicContact CD1-CD 4.39Å; Y418-K457 HydrophobicContact CD1-CG 4.47Å; Y418-K457 HydrophobicContact CE1-CB 3.48Å; Y418-K457 VanDerWaalsContact CE1-CB 3.48Å; Y418-K457 HydrophobicContact CE1-CD 3.71Å; Y418-K457 HydrophobicContact CE1-CG 4.17Å; Y418-K457 HydrophobicContact CE2-CD 4.48Å; Y418-K457 HydrophobicContact CG-CB 4.12Å; Y418-K457 VanDerWaalsContact CZ-CE 3.5Å; Y418-K457 VanDerWaalsContact CZ-NZ 3.31Å; Y418-K457 PolarHBondContact OH-NZ 2.74Å; Y418-K457 VanDerWaalsContact OH-NZ 3.07Å; Y418-I459 HydrophobicContact CD1-CD1 3.38Å; Y418-I459 HydrophobicContact CD1-CG1 3.99Å; Y418-I459 HydrophobicContact CD2-CD1 4.44Å; Y418-I459 HydrophobicContact CE1-CD1 3.83Å; Y418-I459 HydrophobicContact CG-CD1 3.75Å; Y418-I459 HydrophobicContact CG-CG1 4.04Å; Y418-E518 HydrophobicContact CE1-CB 4.35Å
419R98.4Very high97.2Very high22 Ų2221.1 Ų21.18%0.08312%0.122CC..EExtended strand (participates in β ladder)trans-115.5156161.165.2-179.3-61.5142.711.2110.8A396 E398 G401 L405 C406 K457 C458 I459A396-R419 WeakPolarHBondContact O-CA 3.37Å; E398-R419 PolarHBondContact O-NH2 3.13Å; E398-R419 IonicContact OE2-CZ 2.82Å; E398-R419 IonicContact OE2-NH1 3.67Å; E398-R419 IonicContact OE2-NH2 3.38Å; E398-R419 PolarHBondContact OE2-NH2 3.49Å; G401-R419 VanDerWaalsContact C-NH1 3.33Å; G401-R419 VanDerWaalsContact CA-NH1 3.28Å; G401-R419 VanDerWaalsContact CA-NH2 3.35Å; L405-R419 HydrophobicContact CD2-CB 4.18Å; C406-R419 PolarHBondContact SG-N 3.31Å; C406-R419 VanDerWaalsContact SG-N 3.42Å; R419-K457 PolarHBondContact N-O 2.89Å; R419-K457 VanDerWaalsContact N-O 3.1Å; R419-C458 HydrophobicContact CG-CB 4.29Å; R419-C458 WeakPolarHBondContact CG-SG 3.39Å; R419-C458 CarbonylContact O-C 3.52Å; R419-C458 VanDerWaalsContact O-CA 3.29Å; R419-C458 WeakPolarHBondContact O-CA 3.35Å; R419-I459 PolarHBondContact O-N 3.22Å
420L98.3Very high97.1Very high5 Ų524.1 Ų24.13%0.02614%0.135CC..EExtended strand (participates in β ladder)trans-74.6136.5168.1-67.5-168.7000111.3I395 A396 E397 M422 I459 Y461 L521I395-L420 HydrophobicContact CG2-CD2 3.86Å; I395-L420 HydrophobicContact CG2-CG 4.16Å; A396-L420 PolarHBondContact O-N 3.47Å; E397-L420 HydrophobicContact CB-CD1 4.23Å; E397-L420 HydrophobicContact CG-CD1 4.18Å; L420-M422 VanDerWaalsContact C-N 3.27Å; L420-M422 HydrophobicContact CB-CG 3.77Å; L420-M422 PolarHBondContact O-N 2.78Å; L420-M422 VanDerWaalsContact O-N 3.11Å; L420-I459 HydrophobicContact CD2-CB 3.9Å; L420-I459 HydrophobicContact CD2-CG1 4.47Å; L420-I459 HydrophobicContact CD2-CG2 4.2Å; L420-Y461 HydrophobicContact CB-CE1 3.93Å; L420-Y461 HydrophobicContact CD1-CE1 4.4Å; L420-Y461 HydrophobicContact CD2-CE1 4.15Å; L420-Y461 HydrophobicContact CG-CE1 4.38Å; L420-L521 HydrophobicContact CD2-CD1 4.46Å
421A97.3Very high97.1Very high17 Ų1721.2 Ų21.214%0.1412%0.122CC..  trans-85.465.2175.500000111.3A423 I424 C458 I459A421-A423 PolarHBondContact O-N 2.88Å; A421-A423 VanDerWaalsContact O-N 3.12Å; A421-I424 HydrophobicContact CB-CD1 3.68Å; A421-I424 HydrophobicContact CB-CG1 4.21Å; A421-I424 PolarHBondContact O-N 2.85Å; A421-I424 VanDerWaalsContact O-N 3.13Å; A421-C458 HydrophobicContact CB-CB 4.4Å; A421-I459 WeakPolarHBondContact CB-O 3.47Å; A421-I459 PolarHBondContact N-O 2.91Å
422M95.5Very high97.1Very high40 Ų4021.7 Ų21.720%0.19713%0.125CC..THydrogen-bonded Turntrans-65.4-18.3-166.5-53.2-175.972.500115E397 V399 L420 I424 P425 Y461E397-M422 HydrophobicContact CG-CE 3.96Å; E397-M422 HydrophobicContact CG-SD 4.07Å; V399-M422 HydrophobicContact CB-SD 3.8Å; V399-M422 HydrophobicContact CG2-CB 4.4Å; V399-M422 HydrophobicContact CG2-SD 4.48Å; L420-M422 VanDerWaalsContact C-N 3.27Å; L420-M422 HydrophobicContact CB-CG 3.77Å; L420-M422 PolarHBondContact O-N 2.78Å; L420-M422 VanDerWaalsContact O-N 3.11Å; M422-I424 VanDerWaalsContact C-N 3.3Å; M422-I424 PolarHBondContact O-N 3.04Å; M422-P425 WeakPolarHBondContact O-CD 3.37Å; M422-Y461 WeakPolarHBondContact CA-OH 3.23Å; M422-Y461 WeakPolarHBondContact CG-OH 3.41Å
423A94.9Very high97.1Very high64 Ų6427.1 Ų27.153%0.52915%0.145SC..Hα-helixtrans-75.7-15.7176.900000113.9A421 K427A421-A423 PolarHBondContact O-N 2.88Å; A421-A423 VanDerWaalsContact O-N 3.12Å; A423-K427 PolarHBondContact O-N 2.81Å
424I97.8Very high97.1Very high4 Ų433 Ų332%0.02117%0.172CC..Hα-helixtrans-69.6-51.1-177.1-65.5175.2000111.9A421 M422 D426 K427 W428 T448 M449 A460 Y461 T512A421-I424 HydrophobicContact CB-CD1 3.68Å; A421-I424 HydrophobicContact CB-CG1 4.21Å; A421-I424 PolarHBondContact O-N 2.85Å; A421-I424 VanDerWaalsContact O-N 3.13Å; M422-I424 VanDerWaalsContact C-N 3.3Å; M422-I424 PolarHBondContact O-N 3.04Å; I424-D426 VanDerWaalsContact C-N 3.31Å; I424-D426 PolarHBondContact O-N 2.95Å; I424-K427 PolarHBondContact O-N 3.13Å; I424-K427 VanDerWaalsContact O-N 3.15Å; I424-W428 PolarHBondContact O-N 2.77Å; I424-T448 HydrophobicContact CG1-CG2 4.19Å; I424-M449 HydrophobicContact CD1-SD 4.01Å; I424-M449 HydrophobicContact CG1-SD 4.21Å; I424-M449 HydrophobicContact CG2-CE 3.7Å; I424-M449 HydrophobicContact CG2-SD 3.89Å; I424-A460 HydrophobicContact CD1-CB 3.89Å; I424-Y461 WeakPolarHBondContact CG2-O 3.5Å; I424-T512 HydrophobicContact CD1-CG2 4.24Å; I424-T512 HydrophobicContact CG2-CG2 3.68Å
425P97.2Very high97.1Very high2 Ų236.7 Ų36.71%0.01319%0.187CC..Hα-helixtrans-55.8-44175.5-23.830.2000113.3M422 K427 W428 I429 Y461 A462M422-P425 WeakPolarHBondContact O-CD 3.37Å; P425-K427 PolarHBondContact O-N 3.37Å; P425-W428 PolarHBondContact O-N 3.12Å; P425-I429 WeakPolarHBondContact O-CG1 3.48Å; P425-I429 PolarHBondContact O-N 3.01Å; P425-Y461 HydrophobicContact CG-CD2 3.53Å; P425-Y461 HydrophobicContact CG-CE2 3.27Å; P425-A462 WeakPolarHBondContact CA-O 3.45Å
426D93.9Very high97Very high95 Ų9544 Ų4451%0.50821%0.214SC..Hα-helixtrans-55.6-39.4178.3-72.3-16.2000111.7I424 I429 E430I424-D426 VanDerWaalsContact C-N 3.31Å; I424-D426 PolarHBondContact O-N 2.95Å; D426-I429 PolarHBondContact O-N 2.81Å; D426-E430 WeakPolarHBondContact O-CB 3.49Å; D426-E430 PolarHBondContact O-N 3.26Å
427K97.3Very high96.9Very high20 Ų2044.8 Ų44.89%0.08722%0.218CC..Hα-helixtrans-66.4-39.1178-173.357.2176.5178.50112.5A423 I424 P425 E430 L431 T448A423-K427 PolarHBondContact O-N 2.81Å; I424-K427 PolarHBondContact O-N 3.13Å; I424-K427 VanDerWaalsContact O-N 3.15Å; P425-K427 PolarHBondContact O-N 3.37Å; K427-E430 VanDerWaalsContact CD-OE2 3.27Å; K427-E430 WeakPolarHBondContact CD-OE2 3.37Å; K427-E430 IonicContact NZ-OE1 3.49Å; K427-E430 PolarHBondContact NZ-OE1 3.49Å; K427-E430 IonicContact NZ-OE2 3.58Å; K427-E430 PolarHBondContact NZ-OE2 2.85Å; K427-L431 HydrophobicContact CD-CG 4.42Å; K427-L431 HydrophobicContact CG-CD1 4.31Å; K427-L431 WeakPolarHBondContact O-CB 3.06Å; K427-L431 VanDerWaalsContact O-CG 3.26Å; K427-L431 WeakPolarHBondContact O-CG 3.39Å; K427-L431 PolarHBondContact O-N 3.31Å; K427-T448 HydrophobicContact CB-CG2 3.77Å; K427-T448 HydrophobicContact CG-CG2 4.13Å
428W98Very high96.9Very high1 Ų148.1 Ų48.10%0.00423%0.233CC..Hα-helixtrans-67.5-41.5175.9-67129000112I424 P425 L431 L432 W440 I445 M449 I475 I508 I511 T512I424-W428 PolarHBondContact O-N 2.77Å; P425-W428 PolarHBondContact O-N 3.12Å; W428-L431 HydrophobicContact CE3-CD1 4Å; W428-L431 HydrophobicContact CZ3-CD1 3.98Å; W428-L431 PolarHBondContact O-N 2.89Å; W428-L432 VanDerWaalsContact O-CB 3.31Å; W428-L432 WeakPolarHBondContact O-CB 3.33Å; W428-L432 WeakPolarHBondContact O-CG 3.31Å; W428-L432 PolarHBondContact O-N 3.01Å; W428-W440 HydrophobicContact CZ3-CZ3 4.1Å; W428-I445 HydrophobicContact CH2-CD1 4.33Å; W428-I445 HydrophobicContact CH2-CG1 4.48Å; W428-I445 HydrophobicContact CH2-CG2 3.74Å; W428-I445 HydrophobicContact CZ2-CG2 4.38Å; W428-I445 HydrophobicContact CZ3-CD1 4.1Å; W428-I445 HydrophobicContact CZ3-CG1 4.35Å; W428-I445 HydrophobicContact CZ3-CG2 4.42Å; W428-M449 HydrophobicContact CH2-CE 4.16Å; W428-M449 HydrophobicContact CZ2-CE 3.27Å; W428-I475 HydrophobicContact CB-CD1 4.49Å; W428-I508 HydrophobicContact CD2-CG1 4.17Å; W428-I508 HydrophobicContact CD2-CG2 3.73Å; W428-I508 VanDerWaalsContact CE2-CG2 3.49Å; W428-I508 HydrophobicContact CE3-CD1 4.2Å; W428-I508 HydrophobicContact CE3-CG1 3.9Å; W428-I508 HydrophobicContact CE3-CG2 4.34Å; W428-I508 HydrophobicContact CG-CG2 3.96Å; W428-I508 HydrophobicContact CH2-CG1 4.04Å; W428-I508 HydrophobicContact CZ2-CB 4.31Å; W428-I508 HydrophobicContact CZ2-CG1 4.25Å; W428-I508 HydrophobicContact CZ2-CG2 3.92Å; W428-I508 HydrophobicContact CZ3-CG1 3.85Å; W428-I511 HydrophobicContact CH2-CG2 3.77Å; W428-I511 HydrophobicContact CZ2-CG2 3.54Å; W428-T512 PolarHBondContact NE1-OG1 2.83Å
429I95Very high96.8Very high24 Ų2451.8 Ų51.812%0.12325%0.25CS..Hα-helixtrans-61.5-48.5175.7-61164.4000110.3P425 D426 L431 L432 K433 Q467P425-I429 WeakPolarHBondContact O-CG1 3.48Å; P425-I429 PolarHBondContact O-N 3.01Å; D426-I429 PolarHBondContact O-N 2.81Å; I429-L431 VanDerWaalsContact C-N 3.33Å; I429-L431 PolarHBondContact O-N 3.44Å; I429-L432 PolarHBondContact O-N 2.97Å; I429-K433 HydrophobicContact CG2-CD 4.47Å; I429-K433 WeakPolarHBondContact O-CB 3.49Å; I429-K433 PolarHBondContact O-N 3.33Å; I429-Q467 HydrophobicContact CD1-CG 3.42Å; I429-Q467 VanDerWaalsContact CD1-CG 3.42Å; I429-Q467 HydrophobicContact CG1-CG 4.17Å
430E96.1Very high96.8Very high66 Ų6651 Ų5131%0.30825%0.247SC..Hα-helixtrans-52.4-51.7176-175.8-149.5142.400110.7D426 K427 E434D426-E430 WeakPolarHBondContact O-CB 3.49Å; D426-E430 PolarHBondContact O-N 3.26Å; K427-E430 VanDerWaalsContact CD-OE2 3.27Å; K427-E430 WeakPolarHBondContact CD-OE2 3.37Å; K427-E430 IonicContact NZ-OE1 3.49Å; K427-E430 PolarHBondContact NZ-OE1 3.49Å; K427-E430 IonicContact NZ-OE2 3.58Å; K427-E430 PolarHBondContact NZ-OE2 2.85Å; E430-E434 VanDerWaalsContact O-CB 3.28Å; E430-E434 WeakPolarHBondContact O-CB 3.3Å; E430-E434 PolarHBondContact O-N 2.96Å
431L98.1Very high96.8Very high5 Ų556.4 Ų56.43%0.02627%0.27CS..Hα-helixtrans-65.7-40.7-177.6-72.4178.5000113K427 W428 I429 K435 W440 I445K427-L431 HydrophobicContact CD-CG 4.42Å; K427-L431 HydrophobicContact CG-CD1 4.31Å; K427-L431 WeakPolarHBondContact O-CB 3.06Å; K427-L431 VanDerWaalsContact O-CG 3.26Å; K427-L431 WeakPolarHBondContact O-CG 3.39Å; K427-L431 PolarHBondContact O-N 3.31Å; W428-L431 HydrophobicContact CE3-CD1 4Å; W428-L431 HydrophobicContact CZ3-CD1 3.98Å; W428-L431 PolarHBondContact O-N 2.89Å; I429-L431 VanDerWaalsContact C-N 3.33Å; I429-L431 PolarHBondContact O-N 3.44Å; L431-K435 HydrophobicContact CD2-CB 4.47Å; L431-K435 HydrophobicContact CD2-CG 4.14Å; L431-K435 PolarHBondContact O-N 3.44Å; L431-W440 HydrophobicContact CB-CD2 4.29Å; L431-W440 HydrophobicContact CB-CZ2 3.88Å; L431-W440 HydrophobicContact CD1-CD2 4.26Å; L431-W440 HydrophobicContact CD1-CE3 4.37Å; L431-W440 HydrophobicContact CD2-CD2 4.45Å; L431-W440 HydrophobicContact CD2-CG 4.07Å; L431-W440 PolarHBondContact O-NE1 3.36Å; L431-W440 VanDerWaalsContact O-NE1 3.13Å; L431-I445 HydrophobicContact CD1-CD1 3.93Å; L431-I445 HydrophobicContact CD1-CG1 3.68Å
432L97.2Very high96.9Very high21 Ų2155.6 Ų55.611%0.1126%0.264CS..Hα-helixtrans-76.8-31.9-177.8-70.9169.3000113W428 I429 W440 I475 W478 L479 I508W428-L432 VanDerWaalsContact O-CB 3.31Å; W428-L432 WeakPolarHBondContact O-CB 3.33Å; W428-L432 WeakPolarHBondContact O-CG 3.31Å; W428-L432 PolarHBondContact O-N 3.01Å; I429-L432 PolarHBondContact O-N 2.97Å; L432-W440 HydrophobicContact CD2-CH2 4.06Å; L432-W440 HydrophobicContact CD2-CZ2 3.89Å; L432-W440 HydrophobicContact CG-CZ2 4.36Å; L432-I475 HydrophobicContact CD1-CB 4.48Å; L432-I475 HydrophobicContact CD1-CG1 4.23Å; L432-I475 HydrophobicContact CD1-CG2 4.16Å; L432-W478 HydrophobicContact CB-CB 4.07Å; L432-W478 HydrophobicContact CB-CG 4.23Å; L432-W478 HydrophobicContact CD1-CB 3.94Å; L432-W478 HydrophobicContact CD1-CG 4.42Å; L432-W478 HydrophobicContact CG-CB 4.48Å; L432-L479 HydrophobicContact CD2-CD2 3.43Å; L432-L479 VanDerWaalsContact CD2-CD2 3.43Å; L432-L479 HydrophobicContact CD2-CG 3.93Å; L432-I508 HydrophobicContact CD1-CD1 4.47Å
433K95.2Very high97Very high129 Ų12954.5 Ų54.556%0.56126%0.263SS*.Hα-helixtrans-88.2-38.6-176.9-177.2177.9178.8-179.50112.6I429 W478I429-K433 HydrophobicContact CG2-CD 4.47Å; I429-K433 WeakPolarHBondContact O-CB 3.49Å; I429-K433 PolarHBondContact O-N 3.33Å; K433-W478 HydrophobicContact CB-CE3 4.48Å; K433-W478 HydrophobicContact CB-CH2 3.9Å; K433-W478 HydrophobicContact CB-CZ2 4.27Å; K433-W478 HydrophobicContact CB-CZ3 4Å; K433-W478 HydrophobicContact CD-CH2 3.79Å; K433-W478 HydrophobicContact CD-CZ2 4.07Å; K433-W478 HydrophobicContact CG-CH2 3.62Å; K433-W478 HydrophobicContact CG-CZ2 4.26Å; K433-W478 HydrophobicContact CG-CZ3 3.98Å
434E96.9Very high97.2Very high124 Ų12454.6 Ų54.658%0.57926%0.255SS*.Hα-helixtrans-114.3-13.6-164.8-51.9-172.2171.400114.7E430E430-E434 VanDerWaalsContact O-CB 3.28Å; E430-E434 WeakPolarHBondContact O-CB 3.3Å; E430-E434 PolarHBondContact O-N 2.96Å
435K97.5Very high97.2Very high87 Ų8754.4 Ų54.438%0.37825%0.254SS..  trans-125144.3-173.5-52.4-62.9175.6-1700111.7L431 E439L431-K435 HydrophobicContact CD2-CB 4.47Å; L431-K435 HydrophobicContact CD2-CG 4.14Å; L431-K435 PolarHBondContact O-N 3.44Å; K435-E439 HydrophobicContact CB-CB 4.42Å
436R96.8Very high97.3Very high158 Ų15854.3 Ų54.360%0.59625%0.253SS*.  trans-78155165.2-59.3173.8-68.8162.43.9110E438 E439 W440R436-E438 PolarHBondContact O-N 3.33Å; R436-E438 VanDerWaalsContact O-N 3.11Å; R436-E439 HydrophobicContact CB-CG 4.38Å; R436-E439 WeakPolarHBondContact CB-OE2 3.25Å; R436-E439 WeakPolarHBondContact CG-OE2 3.39Å; R436-E439 IonicContact CZ-OE1 2.73Å; R436-E439 IonicContact CZ-OE2 3.35Å; R436-E439 PolarHBondContact N-OE2 2.87Å; R436-E439 IonicContact NE-OE1 2.68Å; R436-E439 PolarHBondContact NE-OE1 3.16Å; R436-E439 IonicContact NE-OE2 2.9Å; R436-E439 PolarHBondContact NE-OE2 2.88Å; R436-E439 VanDerWaalsContact NH2-CD 3.34Å; R436-E439 IonicContact NH2-OE1 3.79Å; R436-E439 PolarHBondContact NH2-OE1 3.27Å; R436-E439 IonicContact NH2-OE2 3.97Å; R436-E439 WeakPolarHBondContact O-CA 3.4Å; R436-E439 WeakPolarHBondContact O-CB 3.08Å; R436-E439 PolarHBondContact O-N 3.33Å; R436-W440 PolarHBondContact O-N 2.68Å
437D97.7Very high97.5Very high18 Ų1855.7 Ų55.710%0.09625%0.254CS..G310 helixtrans-51.3-38.3-179.2-65.99.3000112.7E439 W440 R500 C614 R675D437-E439 PolarHBondContact O-N 3Å; D437-W440 WeakPolarHBondContact O-CB 3.49Å; D437-W440 PolarHBondContact O-N 3.06Å; D437-R500 IonicContact OD1-CZ 3.62Å; D437-R500 IonicContact OD1-NE 3.39Å; D437-R500 PolarHBondContact OD1-NE 3.32Å; D437-R500 IonicContact OD1-NH2 2.71Å; D437-R500 PolarHBondContact OD1-NH2 3.4Å; D437-R500 IonicContact OD2-CZ 3.72Å; D437-R500 IonicContact OD2-NE 3.17Å; D437-R500 PolarHBondContact OD2-NE 3.28Å; D437-R500 IonicContact OD2-NH2 3.68Å; D437-C614 HydrophobicContact CB-CB 4.45Å; D437-R675 IonicContact OD2-CZ 2.66Å; D437-R675 IonicContact OD2-NE 2.75Å; D437-R675 IonicContact OD2-NH2 3.52Å; D437-R675 PolarHBondContact OD2-NH2 3.28Å
438E96.5Very high97.5Very high100 Ų10056.2 Ų56.247%0.46726%0.259SS..G310 helixtrans-69.9-20.7-179.3-57.776.8-161.700113.4R436 K597 C614R436-E438 PolarHBondContact O-N 3.33Å; R436-E438 VanDerWaalsContact O-N 3.11Å; E438-K597 WeakPolarHBondContact O-CE 3.38Å; E438-K597 PolarHBondContact O-NZ 2.98Å; E438-C614 PolarHBondContact OE1-SG 3.2Å
439E97.7Very high97.5Very high86 Ų8656.2 Ų56.240%0.40226%0.26SS..G310 helixtrans-91.3-8.3-178.6-61.4173.2135.700112.3K435 R436 D437 K441K435-E439 HydrophobicContact CB-CB 4.42Å; R436-E439 HydrophobicContact CB-CG 4.38Å; R436-E439 WeakPolarHBondContact CB-OE2 3.25Å; R436-E439 WeakPolarHBondContact CG-OE2 3.39Å; R436-E439 IonicContact CZ-OE1 2.73Å; R436-E439 IonicContact CZ-OE2 3.35Å; R436-E439 PolarHBondContact N-OE2 2.87Å; R436-E439 IonicContact NE-OE1 2.68Å; R436-E439 PolarHBondContact NE-OE1 3.16Å; R436-E439 IonicContact NE-OE2 2.9Å; R436-E439 PolarHBondContact NE-OE2 2.88Å; R436-E439 VanDerWaalsContact NH2-CD 3.34Å; R436-E439 IonicContact NH2-OE1 3.79Å; R436-E439 PolarHBondContact NH2-OE1 3.27Å; R436-E439 IonicContact NH2-OE2 3.97Å; R436-E439 WeakPolarHBondContact O-CA 3.4Å; R436-E439 WeakPolarHBondContact O-CB 3.08Å; R436-E439 PolarHBondContact O-N 3.33Å; D437-E439 PolarHBondContact O-N 3Å; E439-K441 PolarHBondContact O-N 3.03Å
440W98.4Very high97.6Very high4 Ų458.2 Ų58.22%0.01527%0.269CS..  trans-63.9124.2176.6-71.919.8000109.9W428 L431 L432 R436 D437 M442 I445 I508 K597 F612W428-W440 HydrophobicContact CZ3-CZ3 4.1Å; L431-W440 HydrophobicContact CB-CD2 4.29Å; L431-W440 HydrophobicContact CB-CZ2 3.88Å; L431-W440 HydrophobicContact CD1-CD2 4.26Å; L431-W440 HydrophobicContact CD1-CE3 4.37Å; L431-W440 HydrophobicContact CD2-CD2 4.45Å; L431-W440 HydrophobicContact CD2-CG 4.07Å; L431-W440 PolarHBondContact O-NE1 3.36Å; L431-W440 VanDerWaalsContact O-NE1 3.13Å; L432-W440 HydrophobicContact CD2-CH2 4.06Å; L432-W440 HydrophobicContact CD2-CZ2 3.89Å; L432-W440 HydrophobicContact CG-CZ2 4.36Å; R436-W440 PolarHBondContact O-N 2.68Å; D437-W440 WeakPolarHBondContact O-CB 3.49Å; D437-W440 PolarHBondContact O-N 3.06Å; W440-M442 HydrophobicContact CB-CE 3.86Å; W440-M442 WeakPolarHBondContact O-CE 3.39Å; W440-I445 HydrophobicContact CE3-CD1 4.07Å; W440-I508 HydrophobicContact CH2-CD1 4.41Å; W440-K597 WeakPolarHBondContact O-CD 3.33Å; W440-K597 WeakPolarHBondContact O-CE 3.22Å; W440-F612 HydrophobicContact CE3-CD1 4.21Å; W440-F612 HydrophobicContact CZ3-CD1 4.05Å; W440-F612 HydrophobicContact CZ3-CE1 4.12Å
441K98.4Very high97.6Very high119 Ų11960.3 Ų60.352%0.51728%0.282SS..  trans-92.3119.3176.8-65.8-174.8-176.2174.20110E439 G443 D444 I445 E594E439-K441 PolarHBondContact O-N 3.03Å; K441-G443 VanDerWaalsContact C-N 3.28Å; K441-G443 PolarHBondContact O-N 2.73Å; K441-D444 HydrophobicContact CB-CB 4.03Å; K441-D444 WeakPolarHBondContact CD-OD2 3.34Å; K441-D444 PolarHBondContact O-N 3.4Å; K441-I445 PolarHBondContact O-N 2.79Å; K441-E594 VanDerWaalsContact CA-OE2 3.26Å; K441-E594 WeakPolarHBondContact CA-OE2 3.26Å
442M98.6Very high97.5Very high0 Ų062.6 Ų62.60%029%0.29CS..Hα-helixtrans-64.5-38-179-60.8-58.391.600110.8W440 D444 I445 V446 K592 H593 E594 K597 I599 F612W440-M442 HydrophobicContact CB-CE 3.86Å; W440-M442 WeakPolarHBondContact O-CE 3.39Å; M442-D444 VanDerWaalsContact C-N 3.33Å; M442-D444 PolarHBondContact O-N 3.31Å; M442-I445 HydrophobicContact CE-CD1 3.78Å; M442-I445 PolarHBondContact O-N 3.28Å; M442-V446 WeakPolarHBondContact O-CG2 3.49Å; M442-V446 PolarHBondContact O-N 2.74Å; M442-K592 HydrophobicContact CB-CB 4.36Å; M442-H593 WeakPolarHBondContact CG-O 3.07Å; M442-E594 PolarHBondContact N-OE1 3.31Å; M442-E594 PolarHBondContact N-OE2 2.84Å; M442-K597 HydrophobicContact CE-CD 3.86Å; M442-K597 HydrophobicContact CG-CD 4.35Å; M442-K597 HydrophobicContact SD-CB 4.24Å; M442-K597 HydrophobicContact SD-CD 4.35Å; M442-I599 HydrophobicContact CB-CD1 4.03Å; M442-I599 HydrophobicContact CB-CG1 3.79Å; M442-I599 HydrophobicContact CG-CD1 4.4Å; M442-I599 HydrophobicContact CG-CG1 4.12Å; M442-I599 HydrophobicContact SD-CD1 3.73Å; M442-I599 HydrophobicContact SD-CG1 3.85Å; M442-F612 HydrophobicContact CE-CB 4.16Å; M442-F612 HydrophobicContact CE-CG 4.46Å; M442-F612 HydrophobicContact SD-CB 4Å; M442-F612 HydrophobicContact SD-CD2 3.89Å; M442-F612 HydrophobicContact SD-CG 4.25Å
443G98.4Very high97.3Very high17 Ų1764.6 Ų64.618%0.17530%0.296CS..Hα-helixtrans-58.4-41.1174.200000113.5K441 F447 E594K441-G443 VanDerWaalsContact C-N 3.28Å; K441-G443 PolarHBondContact O-N 2.73Å; G443-F447 VanDerWaalsContact O-CB 3.24Å; G443-F447 WeakPolarHBondContact O-CB 3.37Å; G443-F447 PolarHBondContact O-N 2.72Å; G443-E594 PolarHBondContact N-OE1 3.49Å
444D98.5Very high97.1Very high67 Ų6766.5 Ų66.536%0.35830%0.301SS..Hα-helixtrans-70.1-40.5-179.8-65.91.4000111.2K441 M442 F447 T448K441-D444 HydrophobicContact CB-CB 4.03Å; K441-D444 WeakPolarHBondContact CD-OD2 3.34Å; K441-D444 PolarHBondContact O-N 3.4Å; M442-D444 VanDerWaalsContact C-N 3.33Å; M442-D444 PolarHBondContact O-N 3.31Å; D444-F447 PolarHBondContact O-N 3.37Å; D444-T448 PolarHBondContact O-N 3.23Å; D444-T448 PolarHBondContact O-OG1 3.15Å
445I98.7Very high96.8Very high0 Ų062 Ų620%029%0.288CS..Hα-helixtrans-60.4-52.2175.1-66172.3000109.9W428 L431 W440 K441 M442 F447 T448 M449 I511 I599W428-I445 HydrophobicContact CH2-CD1 4.33Å; W428-I445 HydrophobicContact CH2-CG1 4.48Å; W428-I445 HydrophobicContact CH2-CG2 3.74Å; W428-I445 HydrophobicContact CZ2-CG2 4.38Å; W428-I445 HydrophobicContact CZ3-CD1 4.1Å; W428-I445 HydrophobicContact CZ3-CG1 4.35Å; W428-I445 HydrophobicContact CZ3-CG2 4.42Å; L431-I445 HydrophobicContact CD1-CD1 3.93Å; L431-I445 HydrophobicContact CD1-CG1 3.68Å; W440-I445 HydrophobicContact CE3-CD1 4.07Å; K441-I445 PolarHBondContact O-N 2.79Å; M442-I445 HydrophobicContact CE-CD1 3.78Å; M442-I445 PolarHBondContact O-N 3.28Å; I445-F447 VanDerWaalsContact C-N 3.31Å; I445-F447 PolarHBondContact O-N 3.36Å; I445-T448 PolarHBondContact O-N 2.97Å; I445-M449 HydrophobicContact CG2-CE 4.37Å; I445-M449 VanDerWaalsContact O-CG 3.32Å; I445-M449 WeakPolarHBondContact O-CG 3.32Å; I445-M449 PolarHBondContact O-N 2.83Å; I445-M449 VanDerWaalsContact O-N 3.1Å; I445-I511 HydrophobicContact CG2-CD1 3.94Å; I445-I599 HydrophobicContact CB-CD1 4.41Å; I445-I599 HydrophobicContact CG2-CD1 4.27Å
446V98.6Very high96.7Very high0 Ų058.4 Ų58.40%027%0.272CS..Hα-helixtrans-59.5-44.9179.2170.30000110.6M442 T448 M449 E450 L515 T589 K592 I599M442-V446 WeakPolarHBondContact O-CG2 3.49Å; M442-V446 PolarHBondContact O-N 2.74Å; V446-T448 PolarHBondContact O-N 3.32Å; V446-M449 PolarHBondContact O-N 3.23Å; V446-E450 HydrophobicContact CG1-CG 4.18Å; V446-E450 WeakPolarHBondContact CG1-OE2 3.46Å; V446-E450 WeakPolarHBondContact O-CB 3.25Å; V446-E450 WeakPolarHBondContact O-CG 3.3Å; V446-E450 PolarHBondContact O-N 3.49Å; V446-L515 HydrophobicContact CG1-CD2 4.47Å; V446-T589 HydrophobicContact CG1-CG2 3.9Å; V446-T589 HydrophobicContact CG2-CG2 4.18Å; V446-K592 HydrophobicContact CB-CD 4.32Å; V446-K592 HydrophobicContact CG1-CD 4.2Å; V446-K592 HydrophobicContact CG2-CB 4.23Å; V446-K592 HydrophobicContact CG2-CD 4.5Å; V446-I599 HydrophobicContact CG2-CD1 3.92Å; V446-I599 HydrophobicContact CG2-CG1 4.12Å; V446-I599 HydrophobicContact CG2-CG2 3.84Å
447F98.3Very high96.8Very high123 Ų12354 Ų5454%0.53926%0.258SS..Hα-helixtrans-56.8-48.6177.6177.2-97.1000111.4G443 D444 I445 M449 E450 N451G443-F447 VanDerWaalsContact O-CB 3.24Å; G443-F447 WeakPolarHBondContact O-CB 3.37Å; G443-F447 PolarHBondContact O-N 2.72Å; D444-F447 PolarHBondContact O-N 3.37Å; I445-F447 VanDerWaalsContact C-N 3.31Å; I445-F447 PolarHBondContact O-N 3.36Å; F447-M449 VanDerWaalsContact C-N 3.32Å; F447-M449 PolarHBondContact O-N 2.82Å; F447-E450 PolarHBondContact O-N 2.83Å; F447-N451 HydrophobicContact CD1-CB 4.35Å; F447-N451 HydrophobicContact CD2-CB 4.39Å; F447-N451 HydrophobicContact CE1-CB 4.07Å; F447-N451 HydrophobicContact CE2-CB 4.11Å; F447-N451 HydrophobicContact CZ-CB 3.94Å; F447-N451 WeakPolarHBondContact O-CA 3.33Å; F447-N451 WeakPolarHBondContact O-CB 3.49Å; F447-N451 PolarHBondContact O-N 2.9Å
448T98.1Very high96.8Very high31 Ų3153.5 Ų53.519%0.1926%0.255CS..Hα-helixtrans-62.4-37.2178.9-62.50000112.9I424 K427 D444 I445 V446I424-T448 HydrophobicContact CG1-CG2 4.19Å; K427-T448 HydrophobicContact CB-CG2 3.77Å; K427-T448 HydrophobicContact CG-CG2 4.13Å; D444-T448 PolarHBondContact O-N 3.23Å; D444-T448 PolarHBondContact O-OG1 3.15Å; I445-T448 PolarHBondContact O-N 2.97Å; V446-T448 PolarHBondContact O-N 3.32Å
449M97.6Very high96.9Very high2 Ų248.7 Ų48.71%0.0123%0.233CC..Hα-helixtrans-71.4-35.9178.2-59.9-60.8149.500112.6I424 W428 I445 V446 F447 R452 T512 L515 G516I424-M449 HydrophobicContact CD1-SD 4.01Å; I424-M449 HydrophobicContact CG1-SD 4.21Å; I424-M449 HydrophobicContact CG2-CE 3.7Å; I424-M449 HydrophobicContact CG2-SD 3.89Å; W428-M449 HydrophobicContact CH2-CE 4.16Å; W428-M449 HydrophobicContact CZ2-CE 3.27Å; I445-M449 HydrophobicContact CG2-CE 4.37Å; I445-M449 VanDerWaalsContact O-CG 3.32Å; I445-M449 WeakPolarHBondContact O-CG 3.32Å; I445-M449 PolarHBondContact O-N 2.83Å; I445-M449 VanDerWaalsContact O-N 3.1Å; V446-M449 PolarHBondContact O-N 3.23Å; F447-M449 VanDerWaalsContact C-N 3.32Å; F447-M449 PolarHBondContact O-N 2.82Å; M449-R452 PolarHBondContact O-NH1 2.84Å; M449-T512 HydrophobicContact SD-CG2 4.25Å; M449-L515 HydrophobicContact CB-CB 4.03Å; M449-L515 HydrophobicContact CB-CD2 3.81Å; M449-L515 HydrophobicContact CB-CG 3.78Å; M449-L515 HydrophobicContact CG-CD2 4.36Å; M449-G516 WeakPolarHBondContact O-CA 3.38Å
450E97.1Very high96.9Very high66 Ų6644.7 Ų44.731%0.30821%0.214SC..Hα-helixtrans-93.5-20.7-174.6-68-175.7157.800113.9V446 F447 R452 L515 T589V446-E450 HydrophobicContact CG1-CG 4.18Å; V446-E450 WeakPolarHBondContact CG1-OE2 3.46Å; V446-E450 WeakPolarHBondContact O-CB 3.25Å; V446-E450 WeakPolarHBondContact O-CG 3.3Å; V446-E450 PolarHBondContact O-N 3.49Å; F447-E450 PolarHBondContact O-N 2.83Å; E450-R452 PolarHBondContact O-N 3.07Å; E450-L515 HydrophobicContact CG-CD1 3.96Å; E450-L515 HydrophobicContact CG-CD2 4.13Å; E450-L515 HydrophobicContact CG-CG 3.97Å; E450-T589 WeakPolarHBondContact OE1-CB 3.28Å; E450-T589 PolarHBondContact OE1-OG1 3.46Å
451N96.1Very high96.9Very high109 Ų10944.8 Ų44.858%0.58321%0.214SC*.  trans-73.774.4-175.3-175.538.6000111.8F447F447-N451 HydrophobicContact CD1-CB 4.35Å; F447-N451 HydrophobicContact CD2-CB 4.39Å; F447-N451 HydrophobicContact CE1-CB 4.07Å; F447-N451 HydrophobicContact CE2-CB 4.11Å; F447-N451 HydrophobicContact CZ-CB 3.94Å; F447-N451 WeakPolarHBondContact O-CA 3.33Å; F447-N451 WeakPolarHBondContact O-CB 3.49Å; F447-N451 PolarHBondContact O-N 2.9Å
452R94.9Very high96.9Very high53 Ų5339.3 Ų39.320%0.219%0.191CC..SBendtrans-139.3162.6177.160.8176.4-170-95.64.9111.1M449 E450 Y454 L515 G516 E518M449-R452 PolarHBondContact O-NH1 2.84Å; E450-R452 PolarHBondContact O-N 3.07Å; R452-Y454 PolarHBondContact O-N 2.97Å; R452-L515 PolarHBondContact NH1-O 2.92Å; R452-G516 PolarHBondContact NH1-O 3.36Å; R452-E518 IonicContact CZ-OE1 2.83Å; R452-E518 VanDerWaalsContact CZ-OE1 3.25Å; R452-E518 IonicContact NE-OE1 3.19Å; R452-E518 PolarHBondContact NE-OE1 3.26Å; R452-E518 IonicContact NE-OE2 3.73Å; R452-E518 PolarHBondContact NE-OE2 3.15Å; R452-E518 IonicContact NH2-OE1 3.77Å; R452-E518 PolarHBondContact NH2-OE1 2.9Å
453R93.4Very high96.8Very high63 Ų6339.6 Ų39.624%0.23819%0.193CC..  trans-77.9122.1-174.9-58.1-175.467809.9110.2D21 Y362 G455 E456D21-R453 IonicContact OD2-CZ 3.25Å; D21-R453 IonicContact OD2-NH2 2.97Å; D21-R453 PolarHBondContact OD2-NH2 2.83Å; Y362-R453 PolarHBondContact OH-NH1 3.15Å; Y362-R453 PolarHBondContact OH-NH2 3.27Å; R453-G455 PolarHBondContact O-N 3.43Å; R453-E456 HydrophobicContact CB-CB 4.17Å; R453-E456 HydrophobicContact CB-CG 4.45Å; R453-E456 WeakPolarHBondContact CD-OE1 3.39Å; R453-E456 IonicContact CZ-OE1 2.74Å; R453-E456 IonicContact NE-OE1 3.35Å; R453-E456 PolarHBondContact NE-OE1 3.09Å; R453-E456 PolarHBondContact O-N 2.81Å
454Y90.6Very high96.4Very high170 Ų17039 Ų3967%0.66719%0.186SC*.THydrogen-bonded Turntrans-64.8132175.6-176.3-100.5000110.7F20 R452 P586F20-Y454 HydrophobicContact CD1-CD1 4.08Å; F20-Y454 HydrophobicContact CD1-CE1 4.22Å; F20-Y454 HydrophobicContact CE1-CD1 4.32Å; F20-Y454 HydrophobicContact CE1-CE1 4.03Å; R452-Y454 PolarHBondContact O-N 2.97Å; Y454-P586 HydrophobicContact CD2-CG 4.14Å; Y454-P586 HydrophobicContact CE2-CG 3.9Å
455G91Very high96Very high29 Ų2935.9 Ų35.930%0.29917%0.169SC..THydrogen-bonded Turntrans86.40.1-177.400000115.2R407 R453R407-G455 WeakPolarHBondContact CD-O 3.23Å; R407-G455 PolarHBondContact NH1-O 3.42Å; R453-G455 PolarHBondContact O-N 3.43Å
456E96.5Very high95.4Very high11 Ų1139.3 Ų39.35%0.05119%0.187CC..SBendtrans-119.3116.2171.2-67.4-171.6-114.800108.9A404 L405 C406 R407 R453A404-E456 PolarHBondContact N-OE1 3.44Å; A404-E456 PolarHBondContact N-OE2 3.33Å; L405-E456 PolarHBondContact N-OE2 3.24Å; L405-E456 VanDerWaalsContact N-OE2 3.11Å; C406-E456 HydrophobicContact CB-CB 4.01Å; C406-E456 HydrophobicContact CB-CG 4.24Å; C406-E456 PolarHBondContact N-OE2 3.26Å; R407-E456 HydrophobicContact CG-CG 3.93Å; R453-E456 HydrophobicContact CB-CB 4.17Å; R453-E456 HydrophobicContact CB-CG 4.45Å; R453-E456 WeakPolarHBondContact CD-OE1 3.39Å; R453-E456 IonicContact CZ-OE1 2.74Å; R453-E456 IonicContact NE-OE1 3.35Å; R453-E456 PolarHBondContact NE-OE1 3.09Å; R453-E456 PolarHBondContact O-N 2.81Å
457K97.3Very high94.7Very high67 Ų6740.1 Ų40.129%0.29119%0.191SC..EExtended strand (participates in β ladder)trans-73.8140.4-172.6-57.8-178.3-69177.90110.9D417 Y418 R419 E518D417-K457 WeakPolarHBondContact O-CB 3.4Å; D417-K457 WeakPolarHBondContact O-CE 3.37Å; Y418-K457 VanDerWaalsContact CA-O 3.3Å; Y418-K457 WeakPolarHBondContact CA-O 3.42Å; Y418-K457 HydrophobicContact CD1-CB 3.36Å; Y418-K457 HydrophobicContact CD1-CD 4.39Å; Y418-K457 HydrophobicContact CD1-CG 4.47Å; Y418-K457 HydrophobicContact CE1-CB 3.48Å; Y418-K457 VanDerWaalsContact CE1-CB 3.48Å; Y418-K457 HydrophobicContact CE1-CD 3.71Å; Y418-K457 HydrophobicContact CE1-CG 4.17Å; Y418-K457 HydrophobicContact CE2-CD 4.48Å; Y418-K457 HydrophobicContact CG-CB 4.12Å; Y418-K457 VanDerWaalsContact CZ-CE 3.5Å; Y418-K457 VanDerWaalsContact CZ-NZ 3.31Å; Y418-K457 PolarHBondContact OH-NZ 2.74Å; Y418-K457 VanDerWaalsContact OH-NZ 3.07Å; R419-K457 PolarHBondContact N-O 2.89Å; R419-K457 VanDerWaalsContact N-O 3.1Å; K457-E518 HydrophobicContact CB-CB 3.99Å; K457-E518 HydrophobicContact CB-CG 4.36Å; K457-E518 HydrophobicContact CG-CB 4.23Å; K457-E518 HydrophobicContact CG-CG 4.32Å
458C97.9Very high93.7Very high6 Ų634.3 Ų34.34%0.04117%0.166CC..EExtended strand (participates in β ladder)trans-121.1141.6176.8-600000111.7R419 A421 G517 E518 G519R419-C458 HydrophobicContact CG-CB 4.29Å; R419-C458 WeakPolarHBondContact CG-SG 3.39Å; R419-C458 CarbonylContact O-C 3.52Å; R419-C458 VanDerWaalsContact O-CA 3.29Å; R419-C458 WeakPolarHBondContact O-CA 3.35Å; A421-C458 HydrophobicContact CB-CB 4.4Å; C458-G517 CarbonylContact O-C 3.58Å; C458-G517 WeakPolarHBondContact O-CA 3.25Å; C458-E518 PolarHBondContact N-OE2 3.36Å; C458-E518 PolarHBondContact O-N 2.61Å; C458-G519 PolarHBondContact O-N 2.57Å; C458-G519 VanDerWaalsContact O-N 3.1Å
459I98.6Very high92.7Very high0 Ų035 Ų350%017%0.168CC..EExtended strand (participates in β ladder)trans-91.2119165.8-56.2-56.4000108.3L182 I184 I395 Y418 R419 L420 A421 L521L182-I459 HydrophobicContact CB-CD1 4.22Å; L182-I459 HydrophobicContact CD1-CD1 4.21Å; I184-I459 HydrophobicContact CD1-CD1 4.03Å; I184-I459 HydrophobicContact CD1-CG1 4.12Å; I184-I459 HydrophobicContact CD1-CG2 4.11Å; I395-I459 HydrophobicContact CD1-CG1 4.25Å; I395-I459 HydrophobicContact CG2-CG1 4.47Å; Y418-I459 HydrophobicContact CD1-CD1 3.38Å; Y418-I459 HydrophobicContact CD1-CG1 3.99Å; Y418-I459 HydrophobicContact CD2-CD1 4.44Å; Y418-I459 HydrophobicContact CE1-CD1 3.83Å; Y418-I459 HydrophobicContact CG-CD1 3.75Å; Y418-I459 HydrophobicContact CG-CG1 4.04Å; R419-I459 PolarHBondContact O-N 3.22Å; L420-I459 HydrophobicContact CD2-CB 3.9Å; L420-I459 HydrophobicContact CD2-CG1 4.47Å; L420-I459 HydrophobicContact CD2-CG2 4.2Å; A421-I459 WeakPolarHBondContact CB-O 3.47Å; A421-I459 PolarHBondContact N-O 2.91Å; I459-L521 HydrophobicContact CG2-CB 3.5Å; I459-L521 HydrophobicContact CG2-CD1 4.43Å
460A98.5Very high91.4Very high1 Ų137.9 Ų37.91%0.00819%0.185CC..EExtended strand (participates in β ladder)trans-96.4145176.800000111.5I424 T512 G519 W520 L521I424-A460 HydrophobicContact CD1-CB 3.89Å; A460-T512 HydrophobicContact CB-CG2 3.97Å; A460-G519 PolarHBondContact N-O 2.85Å; A460-W520 CarbonylContact O-C 3.59Å; A460-W520 WeakPolarHBondContact O-CA 3.29Å; A460-W520 VanDerWaalsContact O-CE3 3.22Å; A460-L521 PolarHBondContact O-N 3.04Å
461Y98.7Very high90.5Very high7 Ų738.8 Ų38.83%0.02721%0.212CC..  trans-152.5146.3176.652.7-78.9000108.7L420 M422 I424 P425 L521L420-Y461 HydrophobicContact CB-CE1 3.93Å; L420-Y461 HydrophobicContact CD1-CE1 4.4Å; L420-Y461 HydrophobicContact CD2-CE1 4.15Å; L420-Y461 HydrophobicContact CG-CE1 4.38Å; M422-Y461 WeakPolarHBondContact CA-OH 3.23Å; M422-Y461 WeakPolarHBondContact CG-OH 3.41Å; I424-Y461 WeakPolarHBondContact CG2-O 3.5Å; P425-Y461 HydrophobicContact CG-CD2 3.53Å; P425-Y461 HydrophobicContact CG-CE2 3.27Å; Y461-L521 WeakPolarHBondContact CB-O 3.47Å; Y461-L521 HydrophobicContact CG-CD2 4.08Å
462A98.5Very high90Very high3 Ų335.8 Ų35.83%0.02520%0.196CC..SBendtrans-82.1-32.6-17900000112P425 I475 I508 R509 W520P425-A462 WeakPolarHBondContact CA-O 3.45Å; A462-I475 HydrophobicContact CB-CD1 3.74Å; A462-I508 HydrophobicContact CB-CG2 3.87Å; A462-R509 HydrophobicContact CB-CG 4.36Å; A462-W520 HydrophobicContact CB-CH2 4.27Å
463E96.7Very high89.7Confident7 Ų736 Ų363%0.03320%0.199CC..  trans-156.4145.5177.852.5-17915400108Q467 T474 I475 N526E463-Q467 HydrophobicContact CB-CB 4.23Å; E463-T474 WeakPolarHBondContact OE2-CA 3.31Å; E463-T474 WeakPolarHBondContact OE2-CB 3.48Å; E463-I475 HydrophobicContact CB-CD1 3.91Å; E463-I475 HydrophobicContact CB-CG1 4.18Å; E463-I475 HydrophobicContact CG-CD1 3.81Å; E463-I475 HydrophobicContact CG-CG1 4.18Å; E463-I475 PolarHBondContact OE2-N 2.83Å; E463-N526 HydrophobicContact CG-CB 4.21Å; E463-N526 WeakPolarHBondContact CG-ND2 3.33Å
464S89.9Confident89.8Confident4 Ų433.1 Ų33.13%0.02819%0.188CC..  trans-114.9-170.2177.7650000111.6D466 Q467 A468S464-D466 PolarHBondContact O-N 3.03Å; S464-D466 PolarHBondContact OG-N 3.03Å; S464-Q467 PolarHBondContact O-N 3.38Å; S464-Q467 PolarHBondContact OG-OE1 3.03Å; S464-A468 PolarHBondContact O-N 3.32Å
465H89.9Confident90.1Very high2 Ų225.3 Ų25.31%0.00916%0.158CC..Hα-helixtrans-55.9-30.817071.4-95.9000113.6E186 M223 F234 Y236 A468 L469 F523E186-H465 IonicContact OE1-CE1 3.15Å; E186-H465 IonicContact OE1-CG 3.94Å; E186-H465 IonicContact OE1-ND1 2.71Å; E186-H465 PolarHBondContact OE1-ND1 3.01Å; E186-H465 IonicContact OE2-CG 3.06Å; E186-H465 PolarHBondContact OE2-N 2.59Å; E186-H465 IonicContact OE2-ND1 2.75Å; E186-H465 PolarHBondContact OE2-ND1 2.87Å; M223-H465 HydrophobicContact CE-CB 4.36Å; M223-H465 HydrophobicContact SD-CB 4.18Å; F234-H465 AromaticContact CD1-CD2 3.97Å; F234-H465 HydrophobicContact CE1-CB 3.69Å; F234-H465 AromaticContact CE1-CD2 3.75Å; F234-H465 HydrophobicContact CZ-CB 3.97Å; Y236-H465 AromaticContact CE2-NE2 3.98Å; Y236-H465 AromaticContact CZ-NE2 3.92Å; Y236-H465 PolarHBondContact OH-CE1 3.49Å; Y236-H465 PolarHBondContact OH-NE2 2.89Å; H465-A468 WeakPolarHBondContact O-CB 3.35Å; H465-A468 PolarHBondContact O-N 2.99Å; H465-L469 WeakPolarHBondContact O-CG 3.43Å; H465-L469 PolarHBondContact O-N 2.67Å; H465-F523 HydrophobicContact CB-CD1 4.06Å; H465-F523 HydrophobicContact CB-CD2 3.72Å; H465-F523 HydrophobicContact CB-CE1 3.91Å; H465-F523 HydrophobicContact CB-CE2 3.66Å; H465-F523 HydrophobicContact CB-CG 3.95Å; H465-F523 HydrophobicContact CB-CZ 3.77Å
466D84.8Confident90.5Very high71 Ų7123.9 Ų23.938%0.3814%0.143SC..Hα-helixtrans-62.5-48.4178.8-76.2-39.6000112S464 A468 L469S464-D466 PolarHBondContact O-N 3.03Å; S464-D466 PolarHBondContact OG-N 3.03Å; D466-A468 PolarHBondContact O-N 3.13Å; D466-L469 WeakPolarHBondContact O-CB 3.44Å; D466-L469 PolarHBondContact O-N 3.45Å; D466-L469 VanDerWaalsContact O-N 3.16Å
467Q84.3Confident90.5Very high17 Ų1724 Ų248%0.07914%0.144CC..Hα-helixtrans-70.9-17.3178.1-71.678.948.800112.9I429 E463 S464 K473I429-Q467 HydrophobicContact CD1-CG 3.42Å; I429-Q467 VanDerWaalsContact CD1-CG 3.42Å; I429-Q467 HydrophobicContact CG1-CG 4.17Å; E463-Q467 HydrophobicContact CB-CB 4.23Å; S464-Q467 PolarHBondContact O-N 3.38Å; S464-Q467 PolarHBondContact OG-OE1 3.03Å; Q467-K473 CarbonylContact O-C 3.6Å; Q467-K473 VanDerWaalsContact O-C 3.28Å
468A78.4Confident90.4Very high1 Ų123.5 Ų23.51%0.00814%0.14CC..Hα-helixtrans-79.3-20174.200000112.3S464 H465 D466 T474 F523 W533 L534S464-A468 PolarHBondContact O-N 3.32Å; H465-A468 WeakPolarHBondContact O-CB 3.35Å; H465-A468 PolarHBondContact O-N 2.99Å; D466-A468 PolarHBondContact O-N 3.13Å; A468-T474 HydrophobicContact CB-CG2 4.48Å; A468-F523 HydrophobicContact CB-CD1 3.83Å; A468-F523 HydrophobicContact CB-CE1 3.65Å; A468-W533 CarbonylContact O-C 3.51Å; A468-L534 HydrophobicContact CB-CB 4.44Å; A468-L534 VanDerWaalsContact O-CB 3.31Å; A468-L534 WeakPolarHBondContact O-CB 3.36Å; A468-L534 PolarHBondContact O-N 2.66Å
469L76.8Confident90.4Very high47 Ų4723.5 Ų23.525%0.24614%0.139CC..BIsolated β-bridgetrans-72.4156.2-175.9-71.9171.7000113.2F234 H465 D466 G471 D472 L534 F536F234-L469 HydrophobicContact CD1-CD1 4.19Å; F234-L469 HydrophobicContact CD1-CD2 4.04Å; F234-L469 HydrophobicContact CD1-CG 4.44Å; F234-L469 HydrophobicContact CE1-CD1 4.46Å; F234-L469 HydrophobicContact CE1-CD2 3.97Å; F234-L469 HydrophobicContact CE1-CG 4.31Å; H465-L469 WeakPolarHBondContact O-CG 3.43Å; H465-L469 PolarHBondContact O-N 2.67Å; D466-L469 WeakPolarHBondContact O-CB 3.44Å; D466-L469 PolarHBondContact O-N 3.45Å; D466-L469 VanDerWaalsContact O-N 3.16Å; L469-G471 PolarHBondContact O-N 2.9Å; L469-D472 PolarHBondContact O-N 3.34Å; L469-D472 VanDerWaalsContact O-N 3.14Å; L469-L534 CarbonylContact C-O 3.6Å; L469-L534 WeakPolarHBondContact CA-O 3.43Å; L469-L534 HydrophobicContact CD2-CB 4.49Å; L469-L534 HydrophobicContact CD2-CD2 4.07Å; L469-L534 HydrophobicContact CD2-CG 4.19Å; L469-F536 HydrophobicContact CD2-CD2 4.15Å; L469-F536 HydrophobicContact CD2-CE2 4.03Å
470V69.3Low90.4Very high61 Ų6123.6 Ų23.637%0.3714%0.14SC..THydrogen-bonded Turntrans-55128.6171.667.80000110.9L534 D535V470-L534 PolarHBondContact N-O 2.99Å; V470-D535 HydrophobicContact CB-CB 4Å; V470-D535 HydrophobicContact CG1-CB 4.2Å; V470-D535 WeakPolarHBondContact CG1-OD1 3.35Å
471G78.3Confident90.2Very high85 Ų8526.5 Ų26.588%0.87616%0.155SC*.THydrogen-bonded Turntrans111-18.2-174.400000113.1L469L469-G471 PolarHBondContact O-N 2.9Å
472D85.9Confident90.1Very high46 Ų4632.9 Ų32.925%0.24618%0.183CC..SBendtrans-124.1-173.6166.4-146.5-27.5000110.9L469 W478L469-D472 PolarHBondContact O-N 3.34Å; L469-D472 VanDerWaalsContact O-N 3.14Å; D472-W478 PolarHBondContact OD1-NE1 2.72Å
473K88.9Confident90.1Very high59 Ų5934.8 Ų34.826%0.25719%0.192SC..  trans-132.4144175.9-58.5-177.6168.7-172.80109.9Q467 F477 W478 D481Q467-K473 CarbonylContact O-C 3.6Å; Q467-K473 VanDerWaalsContact O-C 3.28Å; K473-F477 HydrophobicContact CB-CB 4.22Å; K473-F477 HydrophobicContact CB-CD1 4.02Å; K473-F477 HydrophobicContact CD-CD1 3.59Å; K473-F477 HydrophobicContact CD-CE1 4.13Å; K473-F477 HydrophobicContact CG-CD1 3.73Å; K473-F477 HydrophobicContact CG-CE1 4.41Å; K473-W478 HydrophobicContact CB-CD2 4.08Å; K473-W478 HydrophobicContact CB-CG 3.98Å; K473-W478 HydrophobicContact CB-CZ2 4.39Å; K473-W478 HydrophobicContact CD-CD2 3.98Å; K473-W478 HydrophobicContact CD-CE3 4.06Å; K473-W478 HydrophobicContact CD-CG 4.47Å; K473-W478 HydrophobicContact CD-CH2 4.32Å; K473-W478 HydrophobicContact CD-CZ2 4.26Å; K473-W478 HydrophobicContact CD-CZ3 4.24Å; K473-W478 HydrophobicContact CG-CD2 4.48Å; K473-W478 HydrophobicContact CG-CZ2 4.33Å; K473-W478 PolarHBondContact O-NE1 2.8Å; K473-D481 IonicContact NZ-OD2 2.77Å; K473-D481 PolarHBondContact NZ-OD2 3.04Å
474T95.4Very high90.1Very high1 Ų134.5 Ų34.51%0.00619%0.19CC..  trans-60.4157.3166.665.50000110.5E463 A468 A476 F477 W478 H530E463-T474 WeakPolarHBondContact OE2-CA 3.31Å; E463-T474 WeakPolarHBondContact OE2-CB 3.48Å; A468-T474 HydrophobicContact CB-CG2 4.48Å; T474-A476 PolarHBondContact O-N 3.46Å; T474-F477 CarbonylContact O-C 3.56Å; T474-F477 PolarHBondContact O-N 3.35Å; T474-F477 WeakPolarHBondContact OG1-CB 3.49Å; T474-F477 PolarHBondContact OG1-N 2.84Å; T474-W478 PolarHBondContact O-N 3.02Å; T474-H530 PolarHBondContact OG1-O 3.48Å
475I97.4Very high90.4Very high6 Ų639.5 Ų39.53%0.03121%0.209CC..Hα-helixtrans-55.1-41.6175.2-71.9171.5000110.3W428 L432 A462 E463 F477 W478 L479 I508W428-I475 HydrophobicContact CB-CD1 4.49Å; L432-I475 HydrophobicContact CD1-CB 4.48Å; L432-I475 HydrophobicContact CD1-CG1 4.23Å; L432-I475 HydrophobicContact CD1-CG2 4.16Å; A462-I475 HydrophobicContact CB-CD1 3.74Å; E463-I475 HydrophobicContact CB-CD1 3.91Å; E463-I475 HydrophobicContact CB-CG1 4.18Å; E463-I475 HydrophobicContact CG-CD1 3.81Å; E463-I475 HydrophobicContact CG-CG1 4.18Å; E463-I475 PolarHBondContact OE2-N 2.83Å; I475-F477 VanDerWaalsContact C-N 3.32Å; I475-F477 PolarHBondContact O-N 3.2Å; I475-W478 PolarHBondContact O-N 2.96Å; I475-L479 HydrophobicContact CG2-CD1 3.65Å; I475-L479 HydrophobicContact CG2-CG 4.32Å; I475-L479 WeakPolarHBondContact O-CB 3.36Å; I475-L479 WeakPolarHBondContact O-CD1 3.34Å; I475-L479 WeakPolarHBondContact O-CG 3.27Å; I475-L479 PolarHBondContact O-N 2.99Å; I475-I508 HydrophobicContact CD1-CG2 3.87Å; I475-I508 HydrophobicContact CG2-CD1 3.99Å
476A97.8Very high90.7Very high0 Ų044.6 Ų44.60%024%0.237CC..Hα-helixtrans-57.7-45.4175.300000111.9T474 L479 M480 M484T474-A476 PolarHBondContact O-N 3.46Å; A476-L479 PolarHBondContact O-N 3.03Å; A476-M480 HydrophobicContact CB-CE 3.76Å; A476-M480 WeakPolarHBondContact O-CB 3.32Å; A476-M480 WeakPolarHBondContact O-CE 3.45Å; A476-M480 PolarHBondContact O-N 2.98Å; A476-M484 HydrophobicContact CB-CE 3.9Å; A476-M484 HydrophobicContact CB-SD 4.31Å
477F96.5Very high91.3Very high13 Ų1344 Ų446%0.05723%0.231CC..Hα-helixtrans-76.4-29.6-178.3-158.8-113.1000113K473 T474 I475 L479 D481 M484 Y485 W533K473-F477 HydrophobicContact CB-CB 4.22Å; K473-F477 HydrophobicContact CB-CD1 4.02Å; K473-F477 HydrophobicContact CD-CD1 3.59Å; K473-F477 HydrophobicContact CD-CE1 4.13Å; K473-F477 HydrophobicContact CG-CD1 3.73Å; K473-F477 HydrophobicContact CG-CE1 4.41Å; T474-F477 CarbonylContact O-C 3.56Å; T474-F477 PolarHBondContact O-N 3.35Å; T474-F477 WeakPolarHBondContact OG1-CB 3.49Å; T474-F477 PolarHBondContact OG1-N 2.84Å; I475-F477 VanDerWaalsContact C-N 3.32Å; I475-F477 PolarHBondContact O-N 3.2Å; F477-L479 VanDerWaalsContact C-N 3.3Å; F477-D481 WeakPolarHBondContact O-CA 3.39Å; F477-D481 PolarHBondContact O-N 2.64Å; F477-M484 HydrophobicContact CB-SD 4.39Å; F477-M484 HydrophobicContact CD2-SD 3.82Å; F477-Y485 HydrophobicContact CE2-CE2 4.02Å; F477-Y485 AromaticContact CE2-CZ 3.87Å; F477-Y485 WeakPolarHBondContact CE2-OH 3.17Å; F477-Y485 HydrophobicContact CZ-CE2 4.43Å; F477-W533 HydrophobicContact CE1-CE3 4.47Å; F477-W533 HydrophobicContact CE1-CZ3 4.36Å
478W96Very high92Very high57 Ų5743.4 Ų43.422%0.21623%0.228CC..Hα-helixtrans-62-38.1166.1-86.2119.6000112.3L432 K433 D472 K473 T474 I475L432-W478 HydrophobicContact CB-CB 4.07Å; L432-W478 HydrophobicContact CB-CG 4.23Å; L432-W478 HydrophobicContact CD1-CB 3.94Å; L432-W478 HydrophobicContact CD1-CG 4.42Å; L432-W478 HydrophobicContact CG-CB 4.48Å; K433-W478 HydrophobicContact CB-CE3 4.48Å; K433-W478 HydrophobicContact CB-CH2 3.9Å; K433-W478 HydrophobicContact CB-CZ2 4.27Å; K433-W478 HydrophobicContact CB-CZ3 4Å; K433-W478 HydrophobicContact CD-CH2 3.79Å; K433-W478 HydrophobicContact CD-CZ2 4.07Å; K433-W478 HydrophobicContact CG-CH2 3.62Å; K433-W478 HydrophobicContact CG-CZ2 4.26Å; K433-W478 HydrophobicContact CG-CZ3 3.98Å; D472-W478 PolarHBondContact OD1-NE1 2.72Å; K473-W478 HydrophobicContact CB-CD2 4.08Å; K473-W478 HydrophobicContact CB-CG 3.98Å; K473-W478 HydrophobicContact CB-CZ2 4.39Å; K473-W478 HydrophobicContact CD-CD2 3.98Å; K473-W478 HydrophobicContact CD-CE3 4.06Å; K473-W478 HydrophobicContact CD-CG 4.47Å; K473-W478 HydrophobicContact CD-CH2 4.32Å; K473-W478 HydrophobicContact CD-CZ2 4.26Å; K473-W478 HydrophobicContact CD-CZ3 4.24Å; K473-W478 HydrophobicContact CG-CD2 4.48Å; K473-W478 HydrophobicContact CG-CZ2 4.33Å; K473-W478 PolarHBondContact O-NE1 2.8Å; T474-W478 PolarHBondContact O-N 3.02Å; I475-W478 PolarHBondContact O-N 2.96Å
479L97.8Very high92.9Very high5 Ų544.5 Ų44.53%0.02624%0.236CC..Hα-helixtrans-79.9-36.3-175.4-77.1170.7000114L432 I475 A476 F477 R500 L504 H505L432-L479 HydrophobicContact CD2-CD2 3.43Å; L432-L479 VanDerWaalsContact CD2-CD2 3.43Å; L432-L479 HydrophobicContact CD2-CG 3.93Å; I475-L479 HydrophobicContact CG2-CD1 3.65Å; I475-L479 HydrophobicContact CG2-CG 4.32Å; I475-L479 WeakPolarHBondContact O-CB 3.36Å; I475-L479 WeakPolarHBondContact O-CD1 3.34Å; I475-L479 WeakPolarHBondContact O-CG 3.27Å; I475-L479 PolarHBondContact O-N 2.99Å; A476-L479 PolarHBondContact O-N 3.03Å; F477-L479 VanDerWaalsContact C-N 3.3Å; L479-R500 PolarHBondContact O-NH1 3.42Å; L479-L504 HydrophobicContact CD1-CB 3.98Å; L479-L504 HydrophobicContact CD2-CB 3.79Å; L479-L504 HydrophobicContact CD2-CD1 3.72Å; L479-L504 HydrophobicContact CD2-CG 4.4Å; L479-H505 HydrophobicContact CD1-CB 4.01Å
480M98.1Very high93.9Very high3 Ų344.6 Ų44.62%0.01524%0.238CC..Hα-helixtrans-122.2-20.8-167.5-65.1177.1-76.100113.9A476 E483 M484 M488 I498A476-M480 HydrophobicContact CB-CE 3.76Å; A476-M480 WeakPolarHBondContact O-CB 3.32Å; A476-M480 WeakPolarHBondContact O-CE 3.45Å; A476-M480 PolarHBondContact O-N 2.98Å; M480-E483 WeakPolarHBondContact O-CB 2.99Å; M480-E483 PolarHBondContact O-N 3.34Å; M480-E483 VanDerWaalsContact O-N 3.13Å; M480-M484 HydrophobicContact CB-CG 3.31Å; M480-M484 HydrophobicContact CB-SD 4.03Å; M480-M484 HydrophobicContact CE-CE 3.82Å; M480-M484 HydrophobicContact CE-CG 4.21Å; M480-M484 HydrophobicContact CE-SD 4.04Å; M480-M484 HydrophobicContact CG-CG 4.35Å; M480-M484 HydrophobicContact SD-CG 4.3Å; M480-M488 HydrophobicContact SD-SD 4.27Å; M480-I498 HydrophobicContact CB-CD1 3.92Å; M480-I498 HydrophobicContact CG-CD1 3.91Å; M480-I498 HydrophobicContact SD-CD1 3.83Å
481D95.6Very high95.2Very high61 Ų6148.3 Ų48.333%0.32626%0.255SS..THydrogen-bonded Turntrans44.3-137.8178.7-162.5-97.2000112K473 F477 E483 M484K473-D481 IonicContact NZ-OD2 2.77Å; K473-D481 PolarHBondContact NZ-OD2 3.04Å; F477-D481 WeakPolarHBondContact O-CA 3.39Å; F477-D481 PolarHBondContact O-N 2.64Å; D481-E483 PolarHBondContact O-N 2.71Å; D481-E483 VanDerWaalsContact O-N 3.12Å; D481-M484 WeakPolarHBondContact O-CB 3.23Å; D481-M484 VanDerWaalsContact O-CG 3.32Å; D481-M484 WeakPolarHBondContact O-CG 3.43Å; D481-M484 PolarHBondContact O-N 3.33Å; D481-M484 VanDerWaalsContact O-N 3.12Å
482K96.1Very high96.1Very high142 Ų14246.3 Ų46.362%0.61723%0.225SC*.THydrogen-bonded Turntrans-61.3-19.2-178.468.5-177.5-178.9179.60115.1M484 Y485K482-M484 PolarHBondContact O-N 3.04Å; K482-Y485 HydrophobicContact CB-CD2 4.16Å; K482-Y485 HydrophobicContact CB-CE2 4.34Å; K482-Y485 WeakPolarHBondContact O-CD2 3.31Å; K482-Y485 PolarHBondContact O-N 3.33Å; K482-Y485 VanDerWaalsContact O-N 3.15Å
483E97.6Very high96.6Very high42 Ų4248.6 Ų48.620%0.19624%0.243CC..Hα-helixtrans-66.5-18.7177-71.4-160.7-161.200112M480 D481 Y485 D486 F487 T495 I497 I498M480-E483 WeakPolarHBondContact O-CB 2.99Å; M480-E483 PolarHBondContact O-N 3.34Å; M480-E483 VanDerWaalsContact O-N 3.13Å; D481-E483 PolarHBondContact O-N 2.71Å; D481-E483 VanDerWaalsContact O-N 3.12Å; E483-Y485 PolarHBondContact O-N 3.1Å; E483-D486 PolarHBondContact O-N 3.39Å; E483-F487 HydrophobicContact CB-CD2 4.01Å; E483-F487 HydrophobicContact CG-CD2 4.06Å; E483-F487 HydrophobicContact CG-CE2 4.44Å; E483-F487 WeakPolarHBondContact O-CB 3.46Å; E483-F487 PolarHBondContact O-N 3.46Å; E483-T495 WeakPolarHBondContact OE2-CB 3.35Å; E483-T495 PolarHBondContact OE2-OG1 2.94Å; E483-I497 HydrophobicContact CB-CG2 4.38Å; E483-I497 HydrophobicContact CG-CG2 4.44Å; E483-I497 WeakPolarHBondContact OE1-CD1 3.38Å; E483-I498 HydrophobicContact CB-CD1 3.9Å; E483-I498 HydrophobicContact CB-CG1 4.3Å
484M97.4Very high97Very high1 Ų149.2 Ų49.21%0.00525%0.249CC..Hα-helixtrans-56.4-31.8172.7-66.4-174.276.100112.6A476 F477 M480 D481 K482 M488 G529 P531 Y562A476-M484 HydrophobicContact CB-CE 3.9Å; A476-M484 HydrophobicContact CB-SD 4.31Å; F477-M484 HydrophobicContact CB-SD 4.39Å; F477-M484 HydrophobicContact CD2-SD 3.82Å; M480-M484 HydrophobicContact CB-CG 3.31Å; M480-M484 HydrophobicContact CB-SD 4.03Å; M480-M484 HydrophobicContact CE-CE 3.82Å; M480-M484 HydrophobicContact CE-CG 4.21Å; M480-M484 HydrophobicContact CE-SD 4.04Å; M480-M484 HydrophobicContact CG-CG 4.35Å; M480-M484 HydrophobicContact SD-CG 4.3Å; D481-M484 WeakPolarHBondContact O-CB 3.23Å; D481-M484 VanDerWaalsContact O-CG 3.32Å; D481-M484 WeakPolarHBondContact O-CG 3.43Å; D481-M484 PolarHBondContact O-N 3.33Å; D481-M484 VanDerWaalsContact O-N 3.12Å; K482-M484 PolarHBondContact O-N 3.04Å; M484-M488 HydrophobicContact CB-CG 4.25Å; M484-M488 VanDerWaalsContact O-CB 3.27Å; M484-M488 WeakPolarHBondContact O-CB 3.33Å; M484-M488 WeakPolarHBondContact O-CG 3.44Å; M484-G529 WeakPolarHBondContact CE-O 3.38Å; M484-P531 HydrophobicContact CE-CB 3.76Å; M484-P531 HydrophobicContact SD-CB 4.23Å; M484-Y562 HydrophobicContact CE-CE1 3.92Å
485Y96.7Very high97.1Very high109 Ų10950.1 Ų50.143%0.42725%0.254SS..Hα-helixtrans-76.9-33-176.1-54.3-60.3000113F477 K482 E483 E532F477-Y485 HydrophobicContact CE2-CE2 4.02Å; F477-Y485 AromaticContact CE2-CZ 3.87Å; F477-Y485 WeakPolarHBondContact CE2-OH 3.17Å; F477-Y485 HydrophobicContact CZ-CE2 4.43Å; K482-Y485 HydrophobicContact CB-CD2 4.16Å; K482-Y485 HydrophobicContact CB-CE2 4.34Å; K482-Y485 WeakPolarHBondContact O-CD2 3.31Å; K482-Y485 PolarHBondContact O-N 3.33Å; K482-Y485 VanDerWaalsContact O-N 3.15Å; E483-Y485 PolarHBondContact O-N 3.1Å; Y485-E532 HydrophobicContact CE1-CG 3.89Å; Y485-E532 WeakPolarHBondContact OH-CG 3.49Å
486D96.2Very high97.1Very high110 Ų11054.6 Ų54.659%0.58828%0.283SS*.Hα-helixtrans-103.1-30.8-173.2-62.2-41.3000112.7E483 T492E483-D486 PolarHBondContact O-N 3.39Å; D486-T492 PolarHBondContact O-OG1 3.19Å
487F98Very high97.1Very high58 Ų5858.1 Ų58.125%0.25430%0.301SS..Hα-helixtrans-118.314.4-167.5-61-76.4000114.1E483 S489 T495 I498 R561E483-F487 HydrophobicContact CB-CD2 4.01Å; E483-F487 HydrophobicContact CG-CD2 4.06Å; E483-F487 HydrophobicContact CG-CE2 4.44Å; E483-F487 WeakPolarHBondContact O-CB 3.46Å; E483-F487 PolarHBondContact O-N 3.46Å; F487-S489 VanDerWaalsContact C-N 3.31Å; F487-T495 HydrophobicContact CB-CG2 4.16Å; F487-T495 HydrophobicContact CD1-CG2 3.49Å; F487-T495 VanDerWaalsContact CD1-CG2 3.49Å; F487-T495 HydrophobicContact CD2-CG2 3.94Å; F487-T495 HydrophobicContact CE1-CG2 3.76Å; F487-T495 HydrophobicContact CE2-CG2 4.18Å; F487-T495 HydrophobicContact CG-CG2 3.59Å; F487-T495 HydrophobicContact CZ-CG2 4.1Å; F487-I498 HydrophobicContact CB-CD1 4.31Å; F487-I498 HydrophobicContact CB-CG1 3.57Å; F487-R561 PolarHBondContact O-NH1 3.35Å
488M98.3Very high97.2Very high4 Ų457.5 Ų57.52%0.0230%0.299CS..  trans-84.5-0.8168.9-76.3-65.1-75.600113.9M480 M484 I498 L502 L560 R561 Y562M480-M488 HydrophobicContact SD-SD 4.27Å; M484-M488 HydrophobicContact CB-CG 4.25Å; M484-M488 VanDerWaalsContact O-CB 3.27Å; M484-M488 WeakPolarHBondContact O-CB 3.33Å; M484-M488 WeakPolarHBondContact O-CG 3.44Å; M488-I498 HydrophobicContact SD-CD1 4.44Å; M488-I498 HydrophobicContact SD-CG2 4.21Å; M488-L502 HydrophobicContact CE-CD2 4.35Å; M488-L502 HydrophobicContact SD-CD2 4.43Å; M488-L560 CarbonylContact O-C 3.48Å; M488-L560 WeakPolarHBondContact O-CA 3.16Å; M488-R561 HydrophobicContact CE-CB 3.73Å; M488-R561 WeakPolarHBondContact O-CB 3.46Å; M488-R561 VanDerWaalsContact O-CG 3.32Å; M488-R561 WeakPolarHBondContact O-CG 3.13Å; M488-R561 PolarHBondContact O-N 3.17Å; M488-R561 HydrophobicContact SD-CB 3.91Å; M488-Y562 HydrophobicContact CB-CE2 3.78Å; M488-Y562 HydrophobicContact CE-CD1 3.49Å; M488-Y562 VanDerWaalsContact CE-CD1 3.49Å; M488-Y562 HydrophobicContact CE-CD2 3.85Å; M488-Y562 HydrophobicContact CE-CE1 3.57Å; M488-Y562 HydrophobicContact CE-CE2 3.91Å; M488-Y562 HydrophobicContact CE-CG 3.64Å; M488-Y562 HydrophobicContact CG-CE1 4.45Å; M488-Y562 HydrophobicContact CG-CE2 4.16Å
489S97.6Very high97.3Very high24 Ų2458 Ų5817%0.16830%0.303CS..BIsolated β-bridgetrans-80137172.1-176.80000111.9F487 I491 T492 L559 R561F487-S489 VanDerWaalsContact C-N 3.31Å; S489-I491 PolarHBondContact O-N 2.91Å; S489-I491 WeakPolarHBondContact OG-CG1 3.35Å; S489-I491 PolarHBondContact OG-N 3.2Å; S489-T492 PolarHBondContact O-N 3.37Å; S489-T492 PolarHBondContact O-OG1 2.84Å; S489-L559 CarbonylContact C-O 3.55Å; S489-L559 WeakPolarHBondContact CA-O 3.34Å; S489-L559 PolarHBondContact OG-O 2.85Å; S489-R561 PolarHBondContact O-NH1 3.21Å; S489-R561 PolarHBondContact O-NH2 3.46Å
490T97.2Very high97.4Very high50 Ų5060 Ų6031%0.30731%0.311SS..THydrogen-bonded Turntrans-64.4-20.817556.20000113.5L559 R561 F564T490-L559 PolarHBondContact N-O 3.17Å; T490-L559 PolarHBondContact OG1-O 2.9Å; T490-R561 HydrophobicContact CG2-CG 4.01Å; T490-F564 HydrophobicContact CG2-CE2 4.3Å; T490-F564 HydrophobicContact CG2-CZ 4.25Å
491I96.7Very high97.4Very high139 Ų13959.8 Ų59.871%0.71331%0.31SS*.THydrogen-bonded Turntrans-91.9-13.8177.860.4159.9000113.6S489S489-I491 PolarHBondContact O-N 2.91Å; S489-I491 WeakPolarHBondContact OG-CG1 3.35Å; S489-I491 PolarHBondContact OG-N 3.2Å
492T97.2Very high97.5Very high42 Ų4257 Ų5726%0.25830%0.295SS..SBendtrans-84.7155.8171.159.80000110.1D486 S489 L494 R561D486-T492 PolarHBondContact O-OG1 3.19Å; S489-T492 PolarHBondContact O-N 3.37Å; S489-T492 PolarHBondContact O-OG1 2.84Å; T492-L494 PolarHBondContact O-N 3.37Å; T492-R561 PolarHBondContact O-NH1 3.1Å; T492-R561 PolarHBondContact O-NH2 3.43Å
493P96.6Very high97.6Very high94 Ų9450.9 Ų50.961%0.6127%0.271SS*.  trans-53.2138.7178-26.435.3000111.7T495 R561P493-T495 PolarHBondContact O-N 3.26Å; P493-T495 VanDerWaalsContact O-N 3.16Å; P493-R561 PolarHBondContact O-NH1 3.02Å
494L97Very high97.7Very high73 Ų7349 Ų4938%0.38226%0.262SS..  trans-76.599.9169.4-177.566.2000107.7T492 I498 E499 L502T492-L494 PolarHBondContact O-N 3.37Å; L494-I498 HydrophobicContact CD1-CB 4.2Å; L494-I498 HydrophobicContact CD1-CG2 3.72Å; L494-E499 HydrophobicContact CD1-CB 4.31Å; L494-E499 HydrophobicContact CD2-CB 4.13Å; L494-E499 HydrophobicContact CD2-CG 4.2Å; L494-E499 HydrophobicContact CG-CB 4.02Å; L494-L502 HydrophobicContact CD1-CD1 4.34Å
495T98.1Very high97.8Very high20 Ų2049 Ų4912%0.12326%0.262CS..  trans-70.8155178.871.20000110.2E483 F487 P493 I497 I498 E499E483-T495 WeakPolarHBondContact OE2-CB 3.35Å; E483-T495 PolarHBondContact OE2-OG1 2.94Å; F487-T495 HydrophobicContact CB-CG2 4.16Å; F487-T495 HydrophobicContact CD1-CG2 3.49Å; F487-T495 VanDerWaalsContact CD1-CG2 3.49Å; F487-T495 HydrophobicContact CD2-CG2 3.94Å; F487-T495 HydrophobicContact CE1-CG2 3.76Å; F487-T495 HydrophobicContact CE2-CG2 4.18Å; F487-T495 HydrophobicContact CG-CG2 3.59Å; F487-T495 HydrophobicContact CZ-CG2 4.1Å; P493-T495 PolarHBondContact O-N 3.26Å; P493-T495 VanDerWaalsContact O-N 3.16Å; T495-I497 PolarHBondContact O-N 2.56Å; T495-I497 VanDerWaalsContact O-N 3.15Å; T495-I498 PolarHBondContact O-N 2.84Å; T495-I498 WeakPolarHBondContact OG1-CG1 3.2Å; T495-I498 PolarHBondContact OG1-N 3.22Å; T495-I498 VanDerWaalsContact OG1-N 3.14Å; T495-E499 WeakPolarHBondContact O-CB 3.46Å; T495-E499 PolarHBondContact O-N 2.87Å
496P97.5Very high97.9Very high99 Ų9944 Ų4464%0.64324%0.243SC*.Hα-helixtrans-58.1-26.2174.4-26.335.5000113.8R500P496-R500 WeakPolarHBondContact O-CB 3.4Å; P496-R500 PolarHBondContact O-N 3.03Å
497I98.1Very high98Very high74 Ų7438.8 Ų38.838%0.37922%0.215SC..Hα-helixtrans-74.5-48.3177.3-73.3164000110.7E483 T495 R500 G501E483-I497 HydrophobicContact CB-CG2 4.38Å; E483-I497 HydrophobicContact CG-CG2 4.44Å; E483-I497 WeakPolarHBondContact OE1-CD1 3.38Å; T495-I497 PolarHBondContact O-N 2.56Å; T495-I497 VanDerWaalsContact O-N 3.15Å; I497-R500 PolarHBondContact O-N 3.44Å; I497-G501 PolarHBondContact O-N 3.46Å
498I98.5Very high98.1Very high0 Ų036 Ų360%020%0.203CC..Hα-helixtrans-64.3-42175.3-64.5-56.3000110.9M480 E483 F487 M488 L494 T495 R500 G501 L502M480-I498 HydrophobicContact CB-CD1 3.92Å; M480-I498 HydrophobicContact CG-CD1 3.91Å; M480-I498 HydrophobicContact SD-CD1 3.83Å; E483-I498 HydrophobicContact CB-CD1 3.9Å; E483-I498 HydrophobicContact CB-CG1 4.3Å; F487-I498 HydrophobicContact CB-CD1 4.31Å; F487-I498 HydrophobicContact CB-CG1 3.57Å; M488-I498 HydrophobicContact SD-CD1 4.44Å; M488-I498 HydrophobicContact SD-CG2 4.21Å; L494-I498 HydrophobicContact CD1-CB 4.2Å; L494-I498 HydrophobicContact CD1-CG2 3.72Å; T495-I498 PolarHBondContact O-N 2.84Å; T495-I498 WeakPolarHBondContact OG1-CG1 3.2Å; T495-I498 PolarHBondContact OG1-N 3.22Å; T495-I498 VanDerWaalsContact OG1-N 3.14Å; I498-R500 PolarHBondContact O-N 3.17Å; I498-G501 PolarHBondContact O-N 3.43Å; I498-L502 HydrophobicContact CG2-CD1 3.94Å; I498-L502 HydrophobicContact CG2-CG 4.11Å; I498-L502 VanDerWaalsContact O-CG 3.32Å; I498-L502 WeakPolarHBondContact O-CG 3.22Å; I498-L502 PolarHBondContact O-N 3.37Å
499E98Very high98.1Very high67 Ų6736 Ų3631%0.31320%0.202SC..Hα-helixtrans-58.6-48.1175.4-175173.3-145.500111.7L494 T495 G501 A503 Q645L494-E499 HydrophobicContact CD1-CB 4.31Å; L494-E499 HydrophobicContact CD2-CB 4.13Å; L494-E499 HydrophobicContact CD2-CG 4.2Å; L494-E499 HydrophobicContact CG-CB 4.02Å; T495-E499 WeakPolarHBondContact O-CB 3.46Å; T495-E499 PolarHBondContact O-N 2.87Å; E499-G501 VanDerWaalsContact C-N 3.33Å; E499-G501 PolarHBondContact O-N 3.25Å; E499-A503 WeakPolarHBondContact O-CB 3.45Å; E499-A503 PolarHBondContact O-N 3.21Å; E499-A503 VanDerWaalsContact O-N 3.07Å; E499-Q645 PolarHBondContact OE1-NE2 3.12Å
500R98.3Very high98.1Very high47 Ų4734.9 Ų34.918%0.17719%0.194CC..Hα-helixtrans-57.1-47.2173.7173.1179.2173.6-85.6-0.1111.3D437 L479 P496 I497 I498 A503 L504D437-R500 IonicContact OD1-CZ 3.62Å; D437-R500 IonicContact OD1-NE 3.39Å; D437-R500 PolarHBondContact OD1-NE 3.32Å; D437-R500 IonicContact OD1-NH2 2.71Å; D437-R500 PolarHBondContact OD1-NH2 3.4Å; D437-R500 IonicContact OD2-CZ 3.72Å; D437-R500 IonicContact OD2-NE 3.17Å; D437-R500 PolarHBondContact OD2-NE 3.28Å; D437-R500 IonicContact OD2-NH2 3.68Å; L479-R500 PolarHBondContact O-NH1 3.42Å; P496-R500 WeakPolarHBondContact O-CB 3.4Å; P496-R500 PolarHBondContact O-N 3.03Å; I497-R500 PolarHBondContact O-N 3.44Å; I498-R500 PolarHBondContact O-N 3.17Å; R500-A503 PolarHBondContact O-N 3.29Å; R500-L504 HydrophobicContact CG-CD1 3.69Å; R500-L504 HydrophobicContact CG-CG 4.27Å; R500-L504 WeakPolarHBondContact O-CB 3.43Å; R500-L504 WeakPolarHBondContact O-CG 3.41Å; R500-L504 PolarHBondContact O-N 3.1Å
501G98.4Very high98.2Very high0 Ų032.5 Ų32.50%018%0.18CC..Hα-helixtrans-66-45.4-175.700000113I497 I498 E499 A503 H505I497-G501 PolarHBondContact O-N 3.46Å; I498-G501 PolarHBondContact O-N 3.43Å; E499-G501 VanDerWaalsContact C-N 3.33Å; E499-G501 PolarHBondContact O-N 3.25Å; G501-A503 VanDerWaalsContact C-N 3.33Å; G501-A503 PolarHBondContact O-N 3.12Å; G501-H505 WeakPolarHBondContact O-CB 3.45Å; G501-H505 PolarHBondContact O-N 3.42Å
502L98.6Very high98.3Very high3 Ų325.9 Ų25.92%0.01615%0.146CC..Hα-helixtrans-60.5-44.7175.1-67177.6000111.4M488 L494 I498 K506 R561 L565M488-L502 HydrophobicContact CE-CD2 4.35Å; M488-L502 HydrophobicContact SD-CD2 4.43Å; L494-L502 HydrophobicContact CD1-CD1 4.34Å; I498-L502 HydrophobicContact CG2-CD1 3.94Å; I498-L502 HydrophobicContact CG2-CG 4.11Å; I498-L502 VanDerWaalsContact O-CG 3.32Å; I498-L502 WeakPolarHBondContact O-CG 3.22Å; I498-L502 PolarHBondContact O-N 3.37Å; L502-K506 WeakPolarHBondContact O-CE 3.33Å; L502-K506 WeakPolarHBondContact O-CG 3.37Å; L502-K506 PolarHBondContact O-N 2.92Å; L502-R561 HydrophobicContact CD1-CB 4.39Å; L502-L565 HydrophobicContact CB-CD2 4.45Å; L502-L565 HydrophobicContact CD2-CD1 3.9Å; L502-L565 HydrophobicContact CD2-CD2 3.81Å; L502-L565 HydrophobicContact CD2-CG 3.75Å
503A98.7Very high98.4Very high13 Ų1323.9 Ų23.911%0.10713%0.133CC..Hα-helixtrans-64.2-53.2179.800000112.2E499 R500 G501 H505 K506 M507 R675E499-A503 WeakPolarHBondContact O-CB 3.45Å; E499-A503 PolarHBondContact O-N 3.21Å; E499-A503 VanDerWaalsContact O-N 3.07Å; R500-A503 PolarHBondContact O-N 3.29Å; G501-A503 VanDerWaalsContact C-N 3.33Å; G501-A503 PolarHBondContact O-N 3.12Å; A503-H505 PolarHBondContact O-N 3.24Å; A503-K506 PolarHBondContact O-N 3.23Å; A503-M507 VanDerWaalsContact O-CG 3.3Å; A503-M507 WeakPolarHBondContact O-CG 3.2Å; A503-M507 PolarHBondContact O-N 2.97Å; A503-R675 HydrophobicContact CB-CB 3.87Å
504L98.8Very high98.5Very high2 Ų219.4 Ų19.41%0.0110%0.104CC..Hα-helixtrans-66.8-35.5-177.4-71.5-179.8000112.5L479 R500 K506 M507 I508 F612L479-L504 HydrophobicContact CD1-CB 3.98Å; L479-L504 HydrophobicContact CD2-CB 3.79Å; L479-L504 HydrophobicContact CD2-CD1 3.72Å; L479-L504 HydrophobicContact CD2-CG 4.4Å; R500-L504 HydrophobicContact CG-CD1 3.69Å; R500-L504 HydrophobicContact CG-CG 4.27Å; R500-L504 WeakPolarHBondContact O-CB 3.43Å; R500-L504 WeakPolarHBondContact O-CG 3.41Å; R500-L504 PolarHBondContact O-N 3.1Å; L504-K506 VanDerWaalsContact C-N 3.34Å; L504-K506 PolarHBondContact O-N 2.89Å; L504-M507 HydrophobicContact CD2-SD 4.22Å; L504-M507 PolarHBondContact O-N 2.96Å; L504-I508 HydrophobicContact CB-CD1 4.49Å; L504-I508 VanDerWaalsContact O-CB 3.32Å; L504-I508 WeakPolarHBondContact O-CB 3.49Å; L504-I508 VanDerWaalsContact O-CG1 3.24Å; L504-I508 WeakPolarHBondContact O-CG1 3.39Å; L504-I508 PolarHBondContact O-N 3.17Å; L504-F612 HydrophobicContact CD2-CD1 3.91Å; L504-F612 HydrophobicContact CD2-CE1 4.2Å
505H98.8Very high98.5Very high1 Ų116 Ų161%0.0059%0.086CC..Hα-helixtrans-58.8-46175.3-170.8-77000111.6L479 G501 A503 R509 N526 G529 L565L479-H505 HydrophobicContact CD1-CB 4.01Å; G501-H505 WeakPolarHBondContact O-CB 3.45Å; G501-H505 PolarHBondContact O-N 3.42Å; A503-H505 PolarHBondContact O-N 3.24Å; H505-R509 WeakPolarHBondContact CE1-CD 2.95Å; H505-R509 WeakPolarHBondContact O-CG 3.19Å; H505-R509 PolarHBondContact O-N 2.84Å; H505-N526 PolarHBondContact CE1-O 2.82Å; H505-N526 VanDerWaalsContact CE1-O 3.24Å; H505-N526 PolarHBondContact NE2-O 3.19Å; H505-G529 WeakPolarHBondContact NE2-CA 3.39Å; H505-L565 HydrophobicContact CB-CD1 4.47Å; H505-L565 HydrophobicContact CB-CD2 4.18Å
506K98.9Very high98.5Very high5 Ų515 Ų152%0.0228%0.081CC..Hα-helixtrans-63.3-43.5176-68.7-178.3-65.8-1730112.1L502 A503 L504 L510 L565 W568 S637 F642L502-K506 WeakPolarHBondContact O-CE 3.33Å; L502-K506 WeakPolarHBondContact O-CG 3.37Å; L502-K506 PolarHBondContact O-N 2.92Å; A503-K506 PolarHBondContact O-N 3.23Å; L504-K506 VanDerWaalsContact C-N 3.34Å; L504-K506 PolarHBondContact O-N 2.89Å; K506-L510 PolarHBondContact O-N 2.97Å; K506-L565 HydrophobicContact CD-CD2 4.36Å; K506-L565 HydrophobicContact CG-CD2 3.77Å; K506-W568 HydrophobicContact CB-CD2 4.14Å; K506-W568 HydrophobicContact CB-CG 3.95Å; K506-W568 HydrophobicContact CB-CZ2 4.49Å; K506-W568 HydrophobicContact CD-CB 3.87Å; K506-W568 HydrophobicContact CD-CD2 3.99Å; K506-W568 HydrophobicContact CD-CG 3.7Å; K506-W568 HydrophobicContact CG-CB 3.93Å; K506-W568 VanDerWaalsContact CG-CD1 3.45Å; K506-W568 HydrophobicContact CG-CD2 4.09Å; K506-W568 HydrophobicContact CG-CG 3.52Å; K506-W568 PolarHBondContact O-NE1 3.24Å; K506-W568 VanDerWaalsContact O-NE1 3.11Å; K506-S637 PolarHBondContact NZ-O 3.47Å; K506-F642 HydrophobicContact CD-CB 4.05Å; K506-F642 PolarHBondContact NZ-O 2.81Å
507M98.9Very high98.5Very high0 Ų010.3 Ų10.30%05%0.05CC..Hα-helixtrans-66.6-46.8-178.6-69175.771.900112.5A503 L504 R509 L510 I511 F610 N611 F612 R675 C677A503-M507 VanDerWaalsContact O-CG 3.3Å; A503-M507 WeakPolarHBondContact O-CG 3.2Å; A503-M507 PolarHBondContact O-N 2.97Å; L504-M507 HydrophobicContact CD2-SD 4.22Å; L504-M507 PolarHBondContact O-N 2.96Å; M507-R509 VanDerWaalsContact C-N 3.33Å; M507-R509 PolarHBondContact O-N 2.87Å; M507-L510 PolarHBondContact O-N 3.37Å; M507-I511 WeakPolarHBondContact O-CG2 3.38Å; M507-I511 PolarHBondContact O-N 3.36Å; M507-F610 HydrophobicContact CB-CD1 4.4Å; M507-F610 HydrophobicContact CE-CB 4.2Å; M507-F610 HydrophobicContact CE-CD1 4.33Å; M507-F610 WeakPolarHBondContact O-CE1 3.44Å; M507-N611 VanDerWaalsContact CE-O 3.31Å; M507-N611 WeakPolarHBondContact CE-O 3.4Å; M507-F612 HydrophobicContact CB-CE1 4.04Å; M507-F612 HydrophobicContact CB-CZ 4.15Å; M507-F612 HydrophobicContact CE-CB 4.45Å; M507-F612 HydrophobicContact CE-CD1 3.63Å; M507-F612 HydrophobicContact CE-CD2 3.86Å; M507-F612 HydrophobicContact CE-CE1 3.71Å; M507-F612 HydrophobicContact CE-CE2 3.94Å; M507-F612 HydrophobicContact CE-CG 3.71Å; M507-F612 HydrophobicContact CE-CZ 3.86Å; M507-F612 HydrophobicContact SD-CE1 4.48Å; M507-R675 HydrophobicContact SD-CB 4.25Å; M507-C677 HydrophobicContact CG-CB 3.98Å
508I98.9Very high98.5Very high0 Ų08.2 Ų8.20%04%0.039CC..Hα-helixtrans-57.2-48.3177.5-74.2166.5000110.1W428 L432 W440 A462 I475 L504 I511 T512W428-I508 HydrophobicContact CD2-CG1 4.17Å; W428-I508 HydrophobicContact CD2-CG2 3.73Å; W428-I508 VanDerWaalsContact CE2-CG2 3.49Å; W428-I508 HydrophobicContact CE3-CD1 4.2Å; W428-I508 HydrophobicContact CE3-CG1 3.9Å; W428-I508 HydrophobicContact CE3-CG2 4.34Å; W428-I508 HydrophobicContact CG-CG2 3.96Å; W428-I508 HydrophobicContact CH2-CG1 4.04Å; W428-I508 HydrophobicContact CZ2-CB 4.31Å; W428-I508 HydrophobicContact CZ2-CG1 4.25Å; W428-I508 HydrophobicContact CZ2-CG2 3.92Å; W428-I508 HydrophobicContact CZ3-CG1 3.85Å; L432-I508 HydrophobicContact CD1-CD1 4.47Å; W440-I508 HydrophobicContact CH2-CD1 4.41Å; A462-I508 HydrophobicContact CB-CG2 3.87Å; I475-I508 HydrophobicContact CD1-CG2 3.87Å; I475-I508 HydrophobicContact CG2-CD1 3.99Å; L504-I508 HydrophobicContact CB-CD1 4.49Å; L504-I508 VanDerWaalsContact O-CB 3.32Å; L504-I508 WeakPolarHBondContact O-CB 3.49Å; L504-I508 VanDerWaalsContact O-CG1 3.24Å; L504-I508 WeakPolarHBondContact O-CG1 3.39Å; L504-I508 PolarHBondContact O-N 3.17Å; I508-I511 WeakPolarHBondContact O-CG2 3.42Å; I508-T512 WeakPolarHBondContact O-CB 3.39Å; I508-T512 PolarHBondContact O-N 2.98Å; I508-T512 VanDerWaalsContact O-N 3.08Å; I508-T512 PolarHBondContact O-OG1 3.49Å
509R98.9Very high98.5Very high3 Ų38.2 Ų8.21%0.0114%0.039CC..Hα-helixtrans-64.7-44.7179.8-66.3-177.579.3-129.5-7.1111.9Y217 A462 H505 M507 T512 H513 W520 N522 E527 D569 M572Y217-R509 PolarHBondContact OH-NH2 3.15Å; A462-R509 HydrophobicContact CB-CG 4.36Å; H505-R509 WeakPolarHBondContact CE1-CD 2.95Å; H505-R509 WeakPolarHBondContact O-CG 3.19Å; H505-R509 PolarHBondContact O-N 2.84Å; M507-R509 VanDerWaalsContact C-N 3.33Å; M507-R509 PolarHBondContact O-N 2.87Å; R509-T512 PolarHBondContact O-N 2.88Å; R509-H513 WeakPolarHBondContact O-CB 3.3Å; R509-H513 PolarHBondContact O-N 3.01Å; R509-W520 HydrophobicContact CB-CH2 4.23Å; R509-W520 HydrophobicContact CB-CZ2 4.49Å; R509-W520 HydrophobicContact CG-CH2 4.37Å; R509-N522 PolarHBondContact NH2-OD1 3.34Å; R509-E527 PolarHBondContact NH1-O 3Å; R509-D569 IonicContact CZ-OD1 2.96Å; R509-D569 VanDerWaalsContact NH1-CG 3.31Å; R509-D569 IonicContact NH1-OD1 3.83Å; R509-D569 PolarHBondContact NH1-OD1 3.07Å; R509-D569 IonicContact NH2-OD1 2.72Å; R509-D569 PolarHBondContact NH2-OD1 2.91Å; R509-D569 IonicContact NH2-OD2 3.3Å; R509-M572 HydrophobicContact CB-CE 4.4Å
510L98.9Very high98.6Very high0 Ų05.1 Ų5.10%02%0.024CC..Hα-helixtrans-66.2-42.7179.5-176.166.4000112.7K506 M507 T512 H513 A514 W568 M572 F608 F610 L635 C677K506-L510 PolarHBondContact O-N 2.97Å; M507-L510 PolarHBondContact O-N 3.37Å; L510-T512 VanDerWaalsContact C-N 3.34Å; L510-T512 PolarHBondContact O-N 3.07Å; L510-H513 PolarHBondContact O-N 3.1Å; L510-A514 WeakPolarHBondContact O-CB 3.35Å; L510-A514 PolarHBondContact O-N 3.24Å; L510-W568 HydrophobicContact CB-CZ2 4Å; L510-W568 HydrophobicContact CD2-CH2 4.14Å; L510-W568 HydrophobicContact CD2-CZ2 3.76Å; L510-W568 HydrophobicContact CG-CZ2 4.32Å; L510-M572 HydrophobicContact CB-SD 4.29Å; L510-M572 HydrophobicContact CD1-CG 3.83Å; L510-M572 HydrophobicContact CD1-SD 4.01Å; L510-F608 HydrophobicContact CD1-CE1 4.3Å; L510-F608 HydrophobicContact CD2-CD1 4.33Å; L510-F610 HydrophobicContact CB-CE1 4.08Å; L510-F610 HydrophobicContact CB-CZ 4.2Å; L510-F610 HydrophobicContact CD2-CE1 4.16Å; L510-F610 HydrophobicContact CD2-CZ 3.91Å; L510-F610 HydrophobicContact CG-CE1 4.2Å; L510-F610 HydrophobicContact CG-CZ 3.86Å; L510-L635 HydrophobicContact CD1-CD1 3.86Å; L510-L635 HydrophobicContact CD2-CD1 4.38Å; L510-C677 HydrophobicContact CD2-CB 4.18Å
511I98.8Very high98.6Very high0 Ų03 Ų30%02%0.017CC..Hα-helixtrans-66.4-39.7-180-167166.8000110.9W428 I445 M507 I508 L515 I599 F601 F610 F612W428-I511 HydrophobicContact CH2-CG2 3.77Å; W428-I511 HydrophobicContact CZ2-CG2 3.54Å; I445-I511 HydrophobicContact CG2-CD1 3.94Å; M507-I511 WeakPolarHBondContact O-CG2 3.38Å; M507-I511 PolarHBondContact O-N 3.36Å; I508-I511 WeakPolarHBondContact O-CG2 3.42Å; I511-L515 VanDerWaalsContact O-CB 3.23Å; I511-L515 WeakPolarHBondContact O-CB 3.33Å; I511-L515 PolarHBondContact O-N 3.45Å; I511-I599 HydrophobicContact CD1-CD1 3.79Å; I511-I599 HydrophobicContact CD1-CG2 4.25Å; I511-F601 HydrophobicContact CG1-CE1 4.16Å; I511-F610 HydrophobicContact CB-CD1 4.16Å; I511-F610 HydrophobicContact CB-CE1 3.59Å; I511-F610 HydrophobicContact CB-CE2 4.26Å; I511-F610 HydrophobicContact CB-CZ 3.65Å; I511-F610 HydrophobicContact CG1-CE1 4.43Å; I511-F610 HydrophobicContact CG1-CE2 4.31Å; I511-F610 HydrophobicContact CG1-CZ 4.19Å; I511-F612 HydrophobicContact CD1-CE2 4.21Å; I511-F612 HydrophobicContact CG2-CZ 4.46Å
512T98.8Very high98.6Very high0 Ų03.2 Ų3.20%02%0.017CC..Hα-helixtrans-65.7-44.6174.6-620000111.7I424 W428 M449 A460 I508 R509 L510 G516 W520I424-T512 HydrophobicContact CD1-CG2 4.24Å; I424-T512 HydrophobicContact CG2-CG2 3.68Å; W428-T512 PolarHBondContact NE1-OG1 2.83Å; M449-T512 HydrophobicContact SD-CG2 4.25Å; A460-T512 HydrophobicContact CB-CG2 3.97Å; I508-T512 WeakPolarHBondContact O-CB 3.39Å; I508-T512 PolarHBondContact O-N 2.98Å; I508-T512 VanDerWaalsContact O-N 3.08Å; I508-T512 PolarHBondContact O-OG1 3.49Å; R509-T512 PolarHBondContact O-N 2.88Å; L510-T512 VanDerWaalsContact C-N 3.34Å; L510-T512 PolarHBondContact O-N 3.07Å; T512-G516 VanDerWaalsContact O-CA 3.28Å; T512-G516 WeakPolarHBondContact O-CA 3.39Å; T512-G516 PolarHBondContact O-N 3.31Å; T512-W520 HydrophobicContact CG2-CE3 4.49Å; T512-W520 HydrophobicContact CG2-CZ3 3.77Å
513H98.7Very high98.6Very high0 Ų03 Ų30%02%0.017CC..Hα-helixtrans-64.4-42.6178.9-171.7-39.9000112.4R509 L510 W520 M572 N573 W581 L582R509-H513 WeakPolarHBondContact O-CB 3.3Å; R509-H513 PolarHBondContact O-N 3.01Å; L510-H513 PolarHBondContact O-N 3.1Å; H513-W520 HydrophobicContact CB-CD2 4.02Å; H513-W520 HydrophobicContact CB-CE3 3.78Å; H513-W520 HydrophobicContact CB-CZ3 4.1Å; H513-W520 AromaticContact CD2-CD1 3.39Å; H513-W520 AromaticContact CD2-CD2 3.46Å; H513-W520 VanDerWaalsContact CD2-CD2 3.46Å; H513-W520 AromaticContact CD2-CE2 3.72Å; H513-W520 AromaticContact CD2-CG 3.27Å; H513-W520 AromaticContact CD2-NE1 3.65Å; H513-W520 AromaticContact CG-CD2 3.88Å; H513-W520 AromaticContact CG-CG 3.9Å; H513-W520 AromaticContact NE2-CD1 3.52Å; H513-W520 AromaticContact NE2-CG 3.54Å; H513-M572 HydrophobicContact CB-CE 4.39Å; H513-M572 HydrophobicContact CB-CG 4.4Å; H513-M572 HydrophobicContact CB-SD 3.59Å; H513-M572 VanDerWaalsContact CB-SD 3.59Å; H513-M572 VanDerWaalsContact CD2-CE 3.47Å; H513-M572 WeakPolarHBondContact CD2-CE 3.17Å; H513-M572 PolarHBondContact CD2-SD 2.87Å; H513-N573 PolarHBondContact NE2-OD1 3Å; H513-W581 AromaticContact CE1-NE1 3.72Å; H513-W581 AromaticContact ND1-NE1 3.37Å; H513-W581 PolarHBondContact ND1-NE1 3.02Å; H513-L582 WeakPolarHBondContact O-CD2 3.41Å
514A98.5Very high98.6Very high0 Ų02.4 Ų2.40%01%0.012CC..Hα-helixtrans-83.5-30.4-174.800000112.7L510 F601 R603 F608L510-A514 WeakPolarHBondContact O-CB 3.35Å; L510-A514 PolarHBondContact O-N 3.24Å; A514-F601 HydrophobicContact CB-CE2 3.89Å; A514-F601 HydrophobicContact CB-CZ 3.8Å; A514-R603 WeakPolarHBondContact O-CD 3.38Å; A514-R603 PolarHBondContact O-NH1 3.49Å; A514-F608 HydrophobicContact CB-CD1 3.94Å; A514-F608 HydrophobicContact CB-CD2 4.48Å; A514-F608 HydrophobicContact CB-CE1 3.6Å; A514-F608 HydrophobicContact CB-CE2 4.18Å; A514-F608 HydrophobicContact CB-CG 4.37Å; A514-F608 HydrophobicContact CB-CZ 3.73Å
515L98.3Very high98.6Very high1 Ų12.3 Ų2.31%0.0051%0.011CC..Hα-helixtrans-111-28.8-174.3-165.360000114.1V446 M449 E450 R452 I511 F601V446-L515 HydrophobicContact CG1-CD2 4.47Å; M449-L515 HydrophobicContact CB-CB 4.03Å; M449-L515 HydrophobicContact CB-CD2 3.81Å; M449-L515 HydrophobicContact CB-CG 3.78Å; M449-L515 HydrophobicContact CG-CD2 4.36Å; E450-L515 HydrophobicContact CG-CD1 3.96Å; E450-L515 HydrophobicContact CG-CD2 4.13Å; E450-L515 HydrophobicContact CG-CG 3.97Å; R452-L515 PolarHBondContact NH1-O 2.92Å; I511-L515 VanDerWaalsContact O-CB 3.23Å; I511-L515 WeakPolarHBondContact O-CB 3.33Å; I511-L515 PolarHBondContact O-N 3.45Å; L515-F601 HydrophobicContact CB-CE1 4.26Å; L515-F601 HydrophobicContact CB-CE2 4.16Å; L515-F601 HydrophobicContact CB-CZ 3.88Å; L515-F601 HydrophobicContact CD1-CD2 3.98Å; L515-F601 HydrophobicContact CD1-CE2 4.16Å; L515-F601 HydrophobicContact CD1-CG 4.16Å; L515-F601 HydrophobicContact CD2-CD1 4.19Å; L515-F601 HydrophobicContact CD2-CE1 4.15Å
516G97.7Very high98.5Very high1 Ų12.3 Ų2.31%0.011%0.011CC..SBendtrans-77.5-21.5-162.200000117.5M449 R452 T512M449-G516 WeakPolarHBondContact O-CA 3.38Å; R452-G516 PolarHBondContact NH1-O 3.36Å; T512-G516 VanDerWaalsContact O-CA 3.28Å; T512-G516 WeakPolarHBondContact O-CA 3.39Å; T512-G516 PolarHBondContact O-N 3.31Å
517G97.5Very high98.5Very high0 Ų02.3 Ų2.30%01%0.011CC..  trans-170-175.7-175.100000115C458 L582 R603C458-G517 CarbonylContact O-C 3.58Å; C458-G517 WeakPolarHBondContact O-CA 3.25Å; G517-L582 WeakPolarHBondContact O-CD2 3.4Å; G517-R603 PolarHBondContact O-NH1 2.97Å; G517-R603 PolarHBondContact O-NH2 3.15Å
518E98.3Very high98.5Very high30 Ų302.3 Ų2.314%0.141%0.011CC..SBendtrans-96.40175.5-6967.4-138.300112.5Y418 R452 K457 C458 L582 R603Y418-E518 HydrophobicContact CE1-CB 4.35Å; R452-E518 IonicContact CZ-OE1 2.83Å; R452-E518 VanDerWaalsContact CZ-OE1 3.25Å; R452-E518 IonicContact NE-OE1 3.19Å; R452-E518 PolarHBondContact NE-OE1 3.26Å; R452-E518 IonicContact NE-OE2 3.73Å; R452-E518 PolarHBondContact NE-OE2 3.15Å; R452-E518 IonicContact NH2-OE1 3.77Å; R452-E518 PolarHBondContact NH2-OE1 2.9Å; K457-E518 HydrophobicContact CB-CB 3.99Å; K457-E518 HydrophobicContact CB-CG 4.36Å; K457-E518 HydrophobicContact CG-CB 4.23Å; K457-E518 HydrophobicContact CG-CG 4.32Å; C458-E518 PolarHBondContact N-OE2 3.36Å; C458-E518 PolarHBondContact O-N 2.61Å; E518-L582 WeakPolarHBondContact CA-O 3.21Å; E518-R603 IonicContact OE1-NH2 3.93Å
519G98.4Very high98.5Very high0 Ų02.3 Ų2.30%01%0.011CC..EExtended strand (participates in β ladder)trans-148.2167.7166.200000111L182 C458 A460L182-G519 CarbonylContact O-C 3.58Å; L182-G519 VanDerWaalsContact O-CA 3.26Å; L182-G519 WeakPolarHBondContact O-CA 3.21Å; C458-G519 PolarHBondContact O-N 2.57Å; C458-G519 VanDerWaalsContact O-N 3.1Å; A460-G519 PolarHBondContact N-O 2.85Å
520W98.8Very high98.4Very high2 Ų22.5 Ų2.51%0.0081%0.012CC..EExtended strand (participates in β ladder)trans-120.9141.7-179.9170.3-117.4000110.2L182 I184 Y217 A460 A462 R509 T512 H513 N522 M572 L582L182-W520 PolarHBondContact O-N 2.83Å; I184-W520 WeakPolarHBondContact CB-O 3.48Å; I184-W520 PolarHBondContact N-O 3.01Å; Y217-W520 AromaticContact CE1-CD1 3.86Å; Y217-W520 AromaticContact CE1-NE1 3.77Å; A460-W520 CarbonylContact O-C 3.59Å; A460-W520 WeakPolarHBondContact O-CA 3.29Å; A460-W520 VanDerWaalsContact O-CE3 3.22Å; A462-W520 HydrophobicContact CB-CH2 4.27Å; R509-W520 HydrophobicContact CB-CH2 4.23Å; R509-W520 HydrophobicContact CB-CZ2 4.49Å; R509-W520 HydrophobicContact CG-CH2 4.37Å; T512-W520 HydrophobicContact CG2-CE3 4.49Å; T512-W520 HydrophobicContact CG2-CZ3 3.77Å; H513-W520 HydrophobicContact CB-CD2 4.02Å; H513-W520 HydrophobicContact CB-CE3 3.78Å; H513-W520 HydrophobicContact CB-CZ3 4.1Å; H513-W520 AromaticContact CD2-CD1 3.39Å; H513-W520 AromaticContact CD2-CD2 3.46Å; H513-W520 VanDerWaalsContact CD2-CD2 3.46Å; H513-W520 AromaticContact CD2-CE2 3.72Å; H513-W520 AromaticContact CD2-CG 3.27Å; H513-W520 AromaticContact CD2-NE1 3.65Å; H513-W520 AromaticContact CG-CD2 3.88Å; H513-W520 AromaticContact CG-CG 3.9Å; H513-W520 AromaticContact NE2-CD1 3.52Å; H513-W520 AromaticContact NE2-CG 3.54Å; W520-N522 HydrophobicContact CZ2-CB 4.44Å; W520-M572 HydrophobicContact CZ2-CE 4.04Å; W520-L582 HydrophobicContact CB-CD1 4.08Å
521L98.9Very high98.2Very high3 Ų32.6 Ų2.62%0.0161%0.013CC..EExtended strand (participates in β ladder)trans-129.8141.9171.3176.7156.5000111I184 E186 L420 I459 A460 Y461I184-L521 HydrophobicContact CB-CB 4.09Å; I184-L521 HydrophobicContact CB-CD1 4.42Å; I184-L521 HydrophobicContact CB-CG 4.25Å; I184-L521 HydrophobicContact CG2-CD1 4.08Å; I184-L521 HydrophobicContact CG2-CG 4.24Å; I184-L521 CarbonylContact O-C 3.56Å; I184-L521 VanDerWaalsContact O-CA 3.32Å; I184-L521 WeakPolarHBondContact O-CA 3.47Å; E186-L521 HydrophobicContact CB-CD1 4.17Å; E186-L521 HydrophobicContact CB-CD2 4Å; E186-L521 HydrophobicContact CB-CG 4.07Å; L420-L521 HydrophobicContact CD2-CD1 4.46Å; I459-L521 HydrophobicContact CG2-CB 3.5Å; I459-L521 HydrophobicContact CG2-CD1 4.43Å; A460-L521 PolarHBondContact O-N 3.04Å; Y461-L521 WeakPolarHBondContact CB-O 3.47Å; Y461-L521 HydrophobicContact CG-CD2 4.08Å
522N98.8Very high97.8Very high3 Ų33.8 Ų3.82%0.0162%0.019CC..EExtended strand (participates in β ladder)trans-134.2130.1171.9175.282.9000110.4I184 Y185 E186 Y217 R509 W520 E527I184-N522 PolarHBondContact O-N 3Å; Y185-N522 CarbonylContact C-O 3.47Å; Y185-N522 WeakPolarHBondContact CA-O 3.22Å; Y185-N522 WeakPolarHBondContact CE2-ND2 3.31Å; E186-N522 PolarHBondContact N-O 3.2Å; Y217-N522 HydrophobicContact CE1-CB 3.76Å; Y217-N522 WeakPolarHBondContact OH-CB 3.2Å; R509-N522 PolarHBondContact NH2-OD1 3.34Å; W520-N522 HydrophobicContact CZ2-CB 4.44Å; N522-E527 PolarHBondContact ND2-OE2 3.21Å; N522-E527 PolarHBondContact OD1-N 2.85Å
523F98.6Very high97.5Very high0 Ų07.2 Ų7.20%03%0.032CC..EExtended strand (participates in β ladder)trans-81.7141.2171.7-178.4-121.1000112.3E186 I191 M223 F234 H465 A468 G525 N526 L534E186-F523 HydrophobicContact CB-CD2 4.16Å; E186-F523 HydrophobicContact CG-CD2 3.91Å; E186-F523 WeakPolarHBondContact O-CD2 3.34Å; E186-F523 WeakPolarHBondContact OE2-CB 3.39Å; E186-F523 WeakPolarHBondContact OE2-CD2 3.4Å; I191-F523 HydrophobicContact CD1-CZ 4.02Å; M223-F523 HydrophobicContact SD-CE2 4.28Å; F234-F523 HydrophobicContact CZ-CE2 4.2Å; F234-F523 AromaticContact CZ-CZ 3.79Å; F234-F523 HydrophobicContact CZ-CZ 3.79Å; H465-F523 HydrophobicContact CB-CD1 4.06Å; H465-F523 HydrophobicContact CB-CD2 3.72Å; H465-F523 HydrophobicContact CB-CE1 3.91Å; H465-F523 HydrophobicContact CB-CE2 3.66Å; H465-F523 HydrophobicContact CB-CG 3.95Å; H465-F523 HydrophobicContact CB-CZ 3.77Å; A468-F523 HydrophobicContact CB-CD1 3.83Å; A468-F523 HydrophobicContact CB-CE1 3.65Å; F523-G525 PolarHBondContact O-N 2.84Å; F523-N526 WeakPolarHBondContact O-CB 3.49Å; F523-N526 PolarHBondContact O-N 2.82Å; F523-L534 HydrophobicContact CE1-CD2 4.21Å; F523-L534 HydrophobicContact CZ-CD2 4.06Å
524M98.5Very high97.3Very high0 Ų07.2 Ų7.20%03%0.032CC..THydrogen-bonded Turntrans-52.1125.4-17171.3-179.4-41.100114.3Y185 E186 I191 F204 R550 W552Y185-M524 HydrophobicContact CD1-CB 4.46Å; Y185-M524 HydrophobicContact CE1-CB 3.52Å; Y185-M524 WeakPolarHBondContact OH-CA 3.43Å; E186-M524 PolarHBondContact O-N 2.88Å; I191-M524 HydrophobicContact CD1-SD 3.94Å; I191-M524 HydrophobicContact CG1-SD 3.72Å; F204-M524 HydrophobicContact CE2-CE 4.44Å; M524-R550 HydrophobicContact CE-CG 3.95Å; M524-R550 HydrophobicContact CG-CG 4.22Å; M524-R550 WeakPolarHBondContact O-CD 3.49Å; M524-R550 PolarHBondContact O-NE 2.98Å; M524-R550 VanDerWaalsContact O-NE 3.13Å; M524-R550 PolarHBondContact O-NH1 3.46Å; M524-R550 HydrophobicContact SD-CG 4.18Å; M524-W552 HydrophobicContact CE-CH2 4.34Å; M524-W552 HydrophobicContact CE-CZ2 3.81Å
525G98Very high97.1Very high0 Ų07.8 Ų7.80%04%0.035CC..THydrogen-bonded Turntrans94.9-27.8-178.100000114.3Y185 F523 E527 F528 H530Y185-G525 PolarHBondContact OH-N 2.98Å; F523-G525 PolarHBondContact O-N 2.84Å; G525-E527 VanDerWaalsContact C-OE2 3.25Å; G525-E527 VanDerWaalsContact CA-OE2 3.28Å; G525-E527 WeakPolarHBondContact CA-OE2 3.38Å; G525-E527 PolarHBondContact N-OE2 3.43Å; G525-E527 PolarHBondContact O-N 2.86Å; G525-F528 WeakPolarHBondContact O-CD1 3.26Å; G525-F528 PolarHBondContact O-N 2.85Å; G525-H530 VanDerWaalsContact O-CB 3.29Å; G525-H530 WeakPolarHBondContact O-CB 3.25Å; G525-H530 PolarHBondContact O-N 2.94Å; G525-H530 VanDerWaalsContact O-N 3.11Å
526N98.3Very high96.9Very high1 Ų18 Ų81%0.0054%0.036CC..G310 helixtrans-66.9-19.6-179.5-65.1-4.6000111.5E463 H505 F523 F528 G529E463-N526 HydrophobicContact CG-CB 4.21Å; E463-N526 WeakPolarHBondContact CG-ND2 3.33Å; H505-N526 PolarHBondContact CE1-O 2.82Å; H505-N526 VanDerWaalsContact CE1-O 3.24Å; H505-N526 PolarHBondContact NE2-O 3.19Å; F523-N526 WeakPolarHBondContact O-CB 3.49Å; F523-N526 PolarHBondContact O-N 2.82Å; N526-F528 PolarHBondContact O-N 2.9Å; N526-G529 PolarHBondContact O-N 2.93Å; N526-G529 VanDerWaalsContact O-N 3.14Å
527E98.6Very high96.8Very high4 Ų48.6 Ų8.62%0.0194%0.039CC..G310 helixtrans-62-31.2177.570.4-75.6-175.800113.8Y185 R509 N522 G525 L565 D569Y185-E527 HydrophobicContact CE2-CG 4.33Å; Y185-E527 WeakPolarHBondContact CE2-OE2 3.28Å; Y185-E527 PolarHBondContact OH-OE1 2.94Å; Y185-E527 PolarHBondContact OH-OE2 3.17Å; Y185-E527 VanDerWaalsContact OH-OE2 3.11Å; R509-E527 PolarHBondContact NH1-O 3Å; N522-E527 PolarHBondContact ND2-OE2 3.21Å; N522-E527 PolarHBondContact OD1-N 2.85Å; G525-E527 VanDerWaalsContact C-OE2 3.25Å; G525-E527 VanDerWaalsContact CA-OE2 3.28Å; G525-E527 WeakPolarHBondContact CA-OE2 3.38Å; G525-E527 PolarHBondContact N-OE2 3.43Å; G525-E527 PolarHBondContact O-N 2.86Å; E527-L565 CarbonylContact O-C 3.51Å; E527-D569 HydrophobicContact CB-CB 4.01Å; E527-D569 WeakPolarHBondContact CB-OD2 3.27Å
528F98.6Very high96.5Very high0 Ų012.4 Ų12.40%05%0.054CC..G310 helixtrans-107.610.8178.463.7-101000112.9G525 N526 H530 W552 V555 Y562 L565 N566G525-F528 WeakPolarHBondContact O-CD1 3.26Å; G525-F528 PolarHBondContact O-N 2.85Å; N526-F528 PolarHBondContact O-N 2.9Å; F528-H530 HydrophobicContact CD2-CB 4.36Å; F528-H530 HydrophobicContact CE2-CB 3.8Å; F528-H530 AromaticContact CE2-CD2 3.73Å; F528-H530 HydrophobicContact CZ-CB 4.17Å; F528-H530 AromaticContact CZ-CD2 3.6Å; F528-W552 AromaticContact CE1-CE3 3.78Å; F528-W552 HydrophobicContact CE1-CE3 3.78Å; F528-W552 AromaticContact CE1-CZ3 3.62Å; F528-W552 HydrophobicContact CE1-CZ3 3.62Å; F528-W552 HydrophobicContact CZ-CE3 4.27Å; F528-W552 HydrophobicContact CZ-CZ3 4.42Å; F528-V555 HydrophobicContact CB-CB 4.21Å; F528-V555 HydrophobicContact CB-CG2 3.85Å; F528-V555 HydrophobicContact CD1-CB 4.07Å; F528-V555 HydrophobicContact CD1-CG1 4.1Å; F528-V555 HydrophobicContact CD1-CG2 4.22Å; F528-V555 HydrophobicContact CD2-CB 4.09Å; F528-V555 HydrophobicContact CE1-CB 4.37Å; F528-V555 HydrophobicContact CE1-CG1 4.04Å; F528-V555 HydrophobicContact CE2-CB 4.41Å; F528-V555 HydrophobicContact CG-CB 3.89Å; F528-V555 HydrophobicContact CG-CG1 4.42Å; F528-V555 HydrophobicContact CG-CG2 4.04Å; F528-V555 HydrophobicContact CZ-CG1 4.3Å; F528-Y562 HydrophobicContact CD2-CD1 4.06Å; F528-Y562 HydrophobicContact CD2-CG 4.42Å; F528-Y562 WeakPolarHBondContact O-CD1 3.33Å; F528-L565 WeakPolarHBondContact O-CD1 3.41Å; F528-N566 HydrophobicContact CB-CB 3.79Å
529G97.9Very high96.2Very high1 Ų115.5 Ų15.51%0.018%0.084CC..THydrogen-bonded Turntrans64.353-177.200000112.1M484 H505 N526 Y562M484-G529 WeakPolarHBondContact CE-O 3.38Å; H505-G529 WeakPolarHBondContact NE2-CA 3.39Å; N526-G529 PolarHBondContact O-N 2.93Å; N526-G529 VanDerWaalsContact O-N 3.14Å; G529-Y562 WeakPolarHBondContact O-CE1 3.49Å
530H97.5Very high95.9Very high6 Ų618.5 Ų18.53%0.02812%0.115CC..  trans-51.5131.9177.3-170.4-71.6000111T474 G525 F528 Q551T474-H530 PolarHBondContact OG1-O 3.48Å; G525-H530 VanDerWaalsContact O-CB 3.29Å; G525-H530 WeakPolarHBondContact O-CB 3.25Å; G525-H530 PolarHBondContact O-N 2.94Å; G525-H530 VanDerWaalsContact O-N 3.11Å; F528-H530 HydrophobicContact CD2-CB 4.36Å; F528-H530 HydrophobicContact CE2-CB 3.8Å; F528-H530 AromaticContact CE2-CD2 3.73Å; F528-H530 HydrophobicContact CZ-CB 4.17Å; F528-H530 AromaticContact CZ-CD2 3.6Å; H530-Q551 WeakPolarHBondContact NE2-CG 3.07Å; H530-Q551 PolarHBondContact NE2-N 3.18Å
531P94.8Very high95.7Very high3 Ų319.6 Ų19.62%0.01912%0.121CC..  trans-74.8-178.9-178.534.2-37.1000111.7M484 L554 Y562M484-P531 HydrophobicContact CE-CB 3.76Å; M484-P531 HydrophobicContact SD-CB 4.23Å; P531-L554 VanDerWaalsContact CD-CD1 3.5Å; P531-L554 HydrophobicContact CG-CD1 3.54Å; P531-Y562 HydrophobicContact CG-CE1 4.37Å
532E91.2Very high95.5Very high25 Ų2526.7 Ų26.712%0.11716%0.159CC..SBendtrans61.5-143.4173.1-56.1164.5-16100112.1Y485 Y547 Q551Y485-E532 HydrophobicContact CE1-CG 3.89Å; Y485-E532 WeakPolarHBondContact OH-CG 3.49Å; E532-Y547 HydrophobicContact CB-CD1 4.35Å; E532-Y547 HydrophobicContact CB-CE1 4.23Å; E532-Y547 HydrophobicContact CG-CE1 4.27Å; E532-Y547 VanDerWaalsContact OE2-CD1 3.29Å; E532-Y547 WeakPolarHBondContact OE2-CD1 3.31Å; E532-Y547 WeakPolarHBondContact OE2-CE1 3.3Å; E532-Q551 VanDerWaalsContact CD-NE2 3.32Å; E532-Q551 PolarHBondContact OE1-NE2 3.25Å; E532-Q551 VanDerWaalsContact OE1-NE2 3.07Å; E532-Q551 PolarHBondContact OE2-NE2 2.89Å
533W92.5Very high95.2Very high71 Ų7130.9 Ų30.927%0.26919%0.185SC..  trans-148.7167.9178.156.986.9000108.8A468 F477 Y547A468-W533 CarbonylContact O-C 3.51Å; F477-W533 HydrophobicContact CE1-CE3 4.47Å; F477-W533 HydrophobicContact CE1-CZ3 4.36Å; W533-Y547 HydrophobicContact CZ2-CE1 4.32Å; W533-Y547 HydrophobicContact CZ2-CE2 4.08Å; W533-Y547 AromaticContact CZ2-CZ 3.86Å
534L94.1Very high95.1Very high1 Ų133 Ų331%0.00520%0.199CC..BIsolated β-bridgetrans-93.5124.517417963.2000108.8I191 F234 A468 L469 V470 F523 F536 Y547I191-L534 HydrophobicContact CB-CD1 4.37Å; I191-L534 HydrophobicContact CD1-CD1 3.71Å; I191-L534 HydrophobicContact CD1-CD2 3.64Å; I191-L534 HydrophobicContact CD1-CG 4.36Å; I191-L534 HydrophobicContact CG2-CD1 4.18Å; F234-L534 HydrophobicContact CE1-CD2 3.88Å; F234-L534 HydrophobicContact CE2-CD2 4.38Å; F234-L534 HydrophobicContact CZ-CD2 3.57Å; A468-L534 HydrophobicContact CB-CB 4.44Å; A468-L534 VanDerWaalsContact O-CB 3.31Å; A468-L534 WeakPolarHBondContact O-CB 3.36Å; A468-L534 PolarHBondContact O-N 2.66Å; L469-L534 CarbonylContact C-O 3.6Å; L469-L534 WeakPolarHBondContact CA-O 3.43Å; L469-L534 HydrophobicContact CD2-CB 4.49Å; L469-L534 HydrophobicContact CD2-CD2 4.07Å; L469-L534 HydrophobicContact CD2-CG 4.19Å; V470-L534 PolarHBondContact N-O 2.99Å; F523-L534 HydrophobicContact CE1-CD2 4.21Å; F523-L534 HydrophobicContact CZ-CD2 4.06Å; L534-F536 HydrophobicContact CD1-CE2 4.43Å; L534-F536 HydrophobicContact CD2-CE2 3.87Å; L534-F536 HydrophobicContact CD2-CZ 4.39Å; L534-F536 HydrophobicContact CG-CD2 4.49Å; L534-F536 HydrophobicContact CG-CE2 4.01Å; L534-Y547 WeakPolarHBondContact CD1-O 3.48Å
535D94.1Very high95Very high12 Ų1236.7 Ų36.76%0.06421%0.214CC..  trans-136.1128.3172.3-164.24.6000109.7V470 R538 N541 Y547 C548V470-D535 HydrophobicContact CB-CB 4Å; V470-D535 HydrophobicContact CG1-CB 4.2Å; V470-D535 WeakPolarHBondContact CG1-OD1 3.35Å; D535-R538 IonicContact OD1-CZ 2.77Å; D535-R538 IonicContact OD1-NE 3.88Å; D535-R538 PolarHBondContact OD1-NE 3.19Å; D535-R538 IonicContact OD1-NH2 3.63Å; D535-R538 PolarHBondContact OD1-NH2 3.46Å; D535-R538 IonicContact OD2-CZ 2.7Å; D535-R538 IonicContact OD2-NE 2.69Å; D535-R538 IonicContact OD2-NH2 3.02Å; D535-R538 PolarHBondContact OD2-NH2 3.21Å; D535-N541 PolarHBondContact OD1-ND2 3.16Å; D535-N541 PolarHBondContact OD2-ND2 2.97Å; D535-Y547 HydrophobicContact CB-CD2 4.44Å; D535-Y547 CarbonylContact O-C 3.51Å; D535-C548 WeakPolarHBondContact O-CB 3.14Å; D535-C548 PolarHBondContact O-N 3.19Å
536F94.9Very high94.9Very high5 Ų541.2 Ų41.22%0.02224%0.235CC..  trans-85.1153.4179.8-76.8-95.4000111I191 Y231 A232 F234 L469 L534 R538 N541 C548I191-F536 HydrophobicContact CG2-CE1 3.91Å; I191-F536 HydrophobicContact CG2-CZ 3.96Å; Y231-F536 AromaticContact CD1-CD1 3.96Å; Y231-F536 HydrophobicContact CD1-CD1 3.96Å; Y231-F536 HydrophobicContact CD1-CE1 4.48Å; Y231-F536 HydrophobicContact CD2-CD1 4.41Å; Y231-F536 HydrophobicContact CD2-CE1 4.32Å; Y231-F536 AromaticContact CE1-CD1 3.82Å; Y231-F536 HydrophobicContact CE1-CD1 3.82Å; Y231-F536 HydrophobicContact CE1-CE1 4.05Å; Y231-F536 HydrophobicContact CE2-CD1 4.27Å; Y231-F536 AromaticContact CE2-CE1 3.86Å; Y231-F536 HydrophobicContact CE2-CE1 3.86Å; Y231-F536 HydrophobicContact CG-CD1 4.24Å; Y231-F536 AromaticContact CZ-CD1 3.97Å; Y231-F536 AromaticContact CZ-CE1 3.7Å; A232-F536 HydrophobicContact CB-CB 3.43Å; A232-F536 VanDerWaalsContact CB-CB 3.43Å; A232-F536 HydrophobicContact CB-CG 4.26Å; F234-F536 HydrophobicContact CB-CE2 4.33Å; F234-F536 HydrophobicContact CB-CZ 4.42Å; F234-F536 AromaticContact CD1-CE2 3.97Å; F234-F536 HydrophobicContact CD1-CE2 3.97Å; F234-F536 HydrophobicContact CD1-CZ 4.4Å; F234-F536 HydrophobicContact CD2-CE1 4.29Å; F234-F536 AromaticContact CD2-CE2 3.74Å; F234-F536 HydrophobicContact CD2-CE2 3.74Å; F234-F536 AromaticContact CD2-CZ 3.31Å; F234-F536 HydrophobicContact CD2-CZ 3.31Å; F234-F536 HydrophobicContact CE1-CE2 4.12Å; F234-F536 AromaticContact CE2-CE2 3.92Å; F234-F536 HydrophobicContact CE2-CE2 3.92Å; F234-F536 AromaticContact CE2-CZ 3.48Å; F234-F536 HydrophobicContact CE2-CZ 3.48Å; F234-F536 VanDerWaalsContact CE2-CZ 3.48Å; F234-F536 AromaticContact CG-CE2 3.76Å; F234-F536 HydrophobicContact CG-CE2 3.76Å; F234-F536 AromaticContact CG-CZ 3.81Å; F234-F536 HydrophobicContact CG-CZ 3.81Å; F234-F536 HydrophobicContact CZ-CE2 4.11Å; F234-F536 HydrophobicContact CZ-CZ 4.11Å; L469-F536 HydrophobicContact CD2-CD2 4.15Å; L469-F536 HydrophobicContact CD2-CE2 4.03Å; L534-F536 HydrophobicContact CD1-CE2 4.43Å; L534-F536 HydrophobicContact CD2-CE2 3.87Å; L534-F536 HydrophobicContact CD2-CZ 4.39Å; L534-F536 HydrophobicContact CG-CD2 4.49Å; L534-F536 HydrophobicContact CG-CE2 4.01Å; F536-R538 WeakPolarHBondContact O-CG 3.44Å; F536-R538 PolarHBondContact O-N 3.28Å; F536-N541 PolarHBondContact O-ND2 3.4Å; F536-C548 VanDerWaalsContact CD1-SG 3.57Å
537P93.9Very high94.8Very high13 Ų1344.4 Ų44.48%0.08425%0.247CC..  trans-59.1120.1174.826.9-38.3000111.3Y231 V543 S544 Y545Y231-P537 HydrophobicContact CD1-CG 3.8Å; Y231-P537 HydrophobicContact CE1-CG 4.37Å; P537-V543 HydrophobicContact CB-CB 4.44Å; P537-V543 HydrophobicContact CB-CG1 3.74Å; P537-S544 WeakPolarHBondContact CA-O 3.2Å; P537-Y545 HydrophobicContact CB-CD2 4Å; P537-Y545 HydrophobicContact CB-CE2 3.72Å; P537-Y545 HydrophobicContact CG-CD1 4.22Å; P537-Y545 HydrophobicContact CG-CD2 4.25Å; P537-Y545 HydrophobicContact CG-CE1 3.76Å; P537-Y545 HydrophobicContact CG-CE2 3.79Å; P537-Y545 HydrophobicContact CG-CG 4.45Å
538R92.4Very high94.6Very high81 Ų8144.2 Ų44.231%0.30625%0.246SC..  trans-151.7168.5179.960.4-170.9170.786.57.8111D535 F536 G540 N541 N542 V543D535-R538 IonicContact OD1-CZ 2.77Å; D535-R538 IonicContact OD1-NE 3.88Å; D535-R538 PolarHBondContact OD1-NE 3.19Å; D535-R538 IonicContact OD1-NH2 3.63Å; D535-R538 PolarHBondContact OD1-NH2 3.46Å; D535-R538 IonicContact OD2-CZ 2.7Å; D535-R538 IonicContact OD2-NE 2.69Å; D535-R538 IonicContact OD2-NH2 3.02Å; D535-R538 PolarHBondContact OD2-NH2 3.21Å; F536-R538 WeakPolarHBondContact O-CG 3.44Å; F536-R538 PolarHBondContact O-N 3.28Å; R538-G540 PolarHBondContact O-N 3.4Å; R538-N541 PolarHBondContact N-OD1 2.82Å; R538-N541 PolarHBondContact O-N 2.96Å; R538-N541 VanDerWaalsContact O-N 3.14Å; R538-N541 PolarHBondContact O-OD1 2.91Å; R538-N542 PolarHBondContact O-N 3.34Å; R538-V543 PolarHBondContact O-N 3Å
539A91Very high94.6Very high94 Ų9445.9 Ų45.978%0.77725%0.253SS*.G310 helixtrans-55.3-38.9178.500000112.5N541 N542A539-N541 PolarHBondContact O-N 2.97Å; A539-N542 PolarHBondContact O-N 2.9Å
540G92.4Very high94.6Very high63 Ų6346 Ų4665%0.64925%0.253SS*.G310 helixtrans-67.7-11.5-178.700000116R538R538-G540 PolarHBondContact O-N 3.4Å
541N94.5Very high94.6Very high26 Ų2646.6 Ų46.614%0.13926%0.255CS..G310 helixtrans-128.623.617666.415.5000112.6D535 F536 R538 A539 V543 S544D535-N541 PolarHBondContact OD1-ND2 3.16Å; D535-N541 PolarHBondContact OD2-ND2 2.97Å; F536-N541 PolarHBondContact O-ND2 3.4Å; R538-N541 PolarHBondContact N-OD1 2.82Å; R538-N541 PolarHBondContact O-N 2.96Å; R538-N541 VanDerWaalsContact O-N 3.14Å; R538-N541 PolarHBondContact O-OD1 2.91Å; A539-N541 PolarHBondContact O-N 2.97Å; N541-V543 VanDerWaalsContact C-N 3.28Å; N541-V543 PolarHBondContact O-N 3.27Å; N541-V543 PolarHBondContact OD1-N 3.18Å; N541-S544 WeakPolarHBondContact O-CB 3.05Å; N541-S544 PolarHBondContact O-N 3.4Å; N541-S544 PolarHBondContact OD1-N 2.97Å
542N95.2Very high94.8Very high152 Ų15247.1 Ų47.181%0.81326%0.257SS*.THydrogen-bonded Turntrans56.737.7-178.5-56.5-52000113.6R538 A539 S544R538-N542 PolarHBondContact O-N 3.34Å; A539-N542 PolarHBondContact O-N 2.9Å; N542-S544 PolarHBondContact O-N 3.37Å
543V92.3Very high95.1Very high91 Ų9149.5 Ų49.555%0.55227%0.271SS*.THydrogen-bonded Turntrans5936.6179-157.90000111.4P537 R538 N541P537-V543 HydrophobicContact CB-CB 4.44Å; P537-V543 HydrophobicContact CB-CG1 3.74Å; R538-V543 PolarHBondContact O-N 3Å; N541-V543 VanDerWaalsContact C-N 3.28Å; N541-V543 PolarHBondContact O-N 3.27Å; N541-V543 PolarHBondContact OD1-N 3.18Å
544S96.1Very high95.4Very high43 Ų4347.1 Ų47.130%0.30126%0.263SS..  trans-77.9135-176.4-179.10000111.8P537 N541 N542 H546P537-S544 WeakPolarHBondContact CA-O 3.2Å; N541-S544 WeakPolarHBondContact O-CB 3.05Å; N541-S544 PolarHBondContact O-N 3.4Å; N541-S544 PolarHBondContact OD1-N 2.97Å; N542-S544 PolarHBondContact O-N 3.37Å; S544-H546 VanDerWaalsContact OG-CB 3.3Å; S544-H546 WeakPolarHBondContact OG-CB 3.23Å; S544-H546 PolarHBondContact OG-N 3.47Å; S544-H546 VanDerWaalsContact OG-N 3.1Å
545Y96.3Very high95.5Very high78 Ų7847.6 Ų47.631%0.30627%0.266SS..  trans-97.45.6169.4-74.8-99.6000112.6G196 V198 Y231 P537 Y547 C548G196-Y545 VanDerWaalsContact C-CB 3.44Å; G196-Y545 WeakPolarHBondContact CA-O 3.44Å; G196-Y545 WeakPolarHBondContact O-CB 3.33Å; V198-Y545 HydrophobicContact CG2-CE1 3.65Å; Y231-Y545 HydrophobicContact CD1-CE1 4.27Å; Y231-Y545 AromaticContact CE1-CE1 3.93Å; Y231-Y545 HydrophobicContact CE1-CE1 3.93Å; P537-Y545 HydrophobicContact CB-CD2 4Å; P537-Y545 HydrophobicContact CB-CE2 3.72Å; P537-Y545 HydrophobicContact CG-CD1 4.22Å; P537-Y545 HydrophobicContact CG-CD2 4.25Å; P537-Y545 HydrophobicContact CG-CE1 3.76Å; P537-Y545 HydrophobicContact CG-CE2 3.79Å; P537-Y545 HydrophobicContact CG-CG 4.45Å; Y545-Y547 VanDerWaalsContact C-N 3.3Å; Y545-Y547 PolarHBondContact O-N 3.29Å; Y545-C548 HydrophobicContact CD1-CB 4.21Å; Y545-C548 PolarHBondContact O-N 3.27Å
546H96.3Very high95.7Very high95 Ų9551.4 Ų51.444%0.4429%0.286SS..THydrogen-bonded Turntrans-59.1-38.3-173.1-177.274.2000113.5S544 R549S544-H546 VanDerWaalsContact OG-CB 3.3Å; S544-H546 WeakPolarHBondContact OG-CB 3.23Å; S544-H546 PolarHBondContact OG-N 3.47Å; S544-H546 VanDerWaalsContact OG-N 3.1Å; H546-R549 WeakPolarHBondContact O-CD 3.48Å; H546-R549 WeakPolarHBondContact O-CG 3.41Å; H546-R549 PolarHBondContact O-NE 3.34Å
547Y95.4Very high95.9Very high69 Ų6954.5 Ų54.527%0.27130%0.303SS..THydrogen-bonded Turntrans-98.9-1.1177-63.9-67.6000113E532 W533 L534 D535 Y545 R549E532-Y547 HydrophobicContact CB-CD1 4.35Å; E532-Y547 HydrophobicContact CB-CE1 4.23Å; E532-Y547 HydrophobicContact CG-CE1 4.27Å; E532-Y547 VanDerWaalsContact OE2-CD1 3.29Å; E532-Y547 WeakPolarHBondContact OE2-CD1 3.31Å; E532-Y547 WeakPolarHBondContact OE2-CE1 3.3Å; W533-Y547 HydrophobicContact CZ2-CE1 4.32Å; W533-Y547 HydrophobicContact CZ2-CE2 4.08Å; W533-Y547 AromaticContact CZ2-CZ 3.86Å; L534-Y547 WeakPolarHBondContact CD1-O 3.48Å; D535-Y547 HydrophobicContact CB-CD2 4.44Å; D535-Y547 CarbonylContact O-C 3.51Å; Y545-Y547 VanDerWaalsContact C-N 3.3Å; Y545-Y547 PolarHBondContact O-N 3.29Å; Y547-R549 PolarHBondContact O-N 3.36Å; Y547-R549 VanDerWaalsContact O-N 3.12Å
548C96.1Very high96Very high0 Ų059.3 Ų59.30%033%0.328CS..SBendtrans-89.853-178.7-160.50000110.2I191 D535 F536 Y545I191-C548 VanDerWaalsContact CG2-SG 3.53Å; D535-C548 WeakPolarHBondContact O-CB 3.14Å; D535-C548 PolarHBondContact O-N 3.19Å; F536-C548 VanDerWaalsContact CD1-SG 3.57Å; Y545-C548 HydrophobicContact CD1-CB 4.21Å; Y545-C548 PolarHBondContact O-N 3.27Å
549R97.3Very high96.3Very high35 Ų3560.1 Ų60.113%0.13234%0.338CS..SBendtrans-156.8171.5-170.463.7174177.2107.315.2112.2I191 S193 I194 H546 Y547 Q551I191-R549 CarbonylContact O-C 3.59Å; I191-R549 VanDerWaalsContact O-C 3.23Å; I191-R549 WeakPolarHBondContact O-CA 3.39Å; S193-R549 WeakPolarHBondContact O-CB 3.22Å; I194-R549 VanDerWaalsContact O-CD 3.28Å; I194-R549 WeakPolarHBondContact O-CD 3Å; H546-R549 WeakPolarHBondContact O-CD 3.48Å; H546-R549 WeakPolarHBondContact O-CG 3.41Å; H546-R549 PolarHBondContact O-NE 3.34Å; Y547-R549 PolarHBondContact O-N 3.36Å; Y547-R549 VanDerWaalsContact O-N 3.12Å; R549-Q551 VanDerWaalsContact CZ-CD 3.49Å
550R98.1Very high96.6Very high4 Ų457.1 Ų57.12%0.01531%0.309CS..  trans-125.8122.9171.8-68.4-69.3165.3-168.6-1.8111.6I191 S193 I194 M524 W552I191-R550 WeakPolarHBondContact O-CG 3.13Å; I191-R550 PolarHBondContact O-N 3.36Å; I191-R550 VanDerWaalsContact O-N 3.08Å; S193-R550 CarbonylContact C-O 3.53Å; S193-R550 PolarHBondContact O-N 3.2Å; I194-R550 VanDerWaalsContact CA-O 3.27Å; I194-R550 WeakPolarHBondContact CA-O 3.45Å; I194-R550 WeakPolarHBondContact CG2-O 3.17Å; I194-R550 PolarHBondContact N-O 2.81Å; M524-R550 HydrophobicContact CE-CG 3.95Å; M524-R550 HydrophobicContact CG-CG 4.22Å; M524-R550 WeakPolarHBondContact O-CD 3.49Å; M524-R550 PolarHBondContact O-NE 2.98Å; M524-R550 VanDerWaalsContact O-NE 3.13Å; M524-R550 PolarHBondContact O-NH1 3.46Å; M524-R550 HydrophobicContact SD-CG 4.18Å; R550-W552 VanDerWaalsContact C-N 3.29Å; R550-W552 HydrophobicContact CB-CD2 4.42Å; R550-W552 HydrophobicContact CB-CZ2 3.94Å; R550-W552 HydrophobicContact CG-CZ2 4.41Å; R550-W552 PolarHBondContact O-N 3.22Å
551Q97.9Very high96.9Very high18 Ų1855 Ų558%0.08428%0.281CS..  trans-83.464.4-172.3-48.2-160.758.700111.9H530 E532 R549 N553 L554H530-Q551 WeakPolarHBondContact NE2-CG 3.07Å; H530-Q551 PolarHBondContact NE2-N 3.18Å; E532-Q551 VanDerWaalsContact CD-NE2 3.32Å; E532-Q551 PolarHBondContact OE1-NE2 3.25Å; E532-Q551 VanDerWaalsContact OE1-NE2 3.07Å; E532-Q551 PolarHBondContact OE2-NE2 2.89Å; R549-Q551 VanDerWaalsContact CZ-CD 3.49Å; Q551-N553 WeakPolarHBondContact CA-OD1 3.41Å; Q551-N553 PolarHBondContact O-N 3.32Å; Q551-N553 VanDerWaalsContact O-N 3.09Å; Q551-L554 HydrophobicContact CB-CD1 3.6Å; Q551-L554 HydrophobicContact CB-CG 3.73Å; Q551-L554 HydrophobicContact CG-CD1 4.33Å; Q551-L554 VanDerWaalsContact O-CB 3.31Å; Q551-L554 WeakPolarHBondContact O-CB 3.42Å; Q551-L554 WeakPolarHBondContact O-CG 3.33Å; Q551-L554 PolarHBondContact O-N 2.95Å
552W98.2Very high97.1Very high13 Ų1354.1 Ų54.15%0.04928%0.276CS..Hα-helixtrans-56.2-27-179.9-57.4117.3000114Y185 S192 I194 V208 M524 F528 R550 L554 V555 D556Y185-W552 WeakPolarHBondContact OH-CH2 3.41Å; S192-W552 PolarHBondContact O-NE1 3.24Å; I194-W552 HydrophobicContact CG2-CB 3.93Å; I194-W552 HydrophobicContact CG2-CG 4.32Å; V208-W552 HydrophobicContact CG1-CH2 4.45Å; V208-W552 HydrophobicContact CG1-CZ2 4.11Å; M524-W552 HydrophobicContact CE-CH2 4.34Å; M524-W552 HydrophobicContact CE-CZ2 3.81Å; F528-W552 AromaticContact CE1-CE3 3.78Å; F528-W552 HydrophobicContact CE1-CE3 3.78Å; F528-W552 AromaticContact CE1-CZ3 3.62Å; F528-W552 HydrophobicContact CE1-CZ3 3.62Å; F528-W552 HydrophobicContact CZ-CE3 4.27Å; F528-W552 HydrophobicContact CZ-CZ3 4.42Å; R550-W552 VanDerWaalsContact C-N 3.29Å; R550-W552 HydrophobicContact CB-CD2 4.42Å; R550-W552 HydrophobicContact CB-CZ2 3.94Å; R550-W552 HydrophobicContact CG-CZ2 4.41Å; R550-W552 PolarHBondContact O-N 3.22Å; W552-L554 PolarHBondContact O-N 3.22Å; W552-L554 VanDerWaalsContact O-N 3.15Å; W552-V555 HydrophobicContact CE3-CG1 4.29Å; W552-V555 WeakPolarHBondContact O-CG1 3.35Å; W552-V555 PolarHBondContact O-N 2.99Å; W552-D556 VanDerWaalsContact O-CG 3.29Å; W552-D556 PolarHBondContact O-N 3.22Å; W552-D556 VanDerWaalsContact O-N 3.09Å
553N97.7Very high97.3Very high76 Ų7649 Ų4941%0.40625%0.246SC..Hα-helixtrans-57.3-26.6173.161.6-74.7000113.1Q551 D557Q551-N553 WeakPolarHBondContact CA-OD1 3.41Å; Q551-N553 PolarHBondContact O-N 3.32Å; Q551-N553 VanDerWaalsContact O-N 3.09Å; N553-D557 WeakPolarHBondContact O-CB 3.39Å; N553-D557 PolarHBondContact O-N 2.77Å
554L98.2Very high97.6Very high21 Ų2146.3 Ų46.311%0.1123%0.227CC..Hα-helixtrans-69.9-37.7179-63.6-179.6000112.7P531 Q551 W552 L560 Y562P531-L554 VanDerWaalsContact CD-CD1 3.5Å; P531-L554 HydrophobicContact CG-CD1 3.54Å; Q551-L554 HydrophobicContact CB-CD1 3.6Å; Q551-L554 HydrophobicContact CB-CG 3.73Å; Q551-L554 HydrophobicContact CG-CD1 4.33Å; Q551-L554 VanDerWaalsContact O-CB 3.31Å; Q551-L554 WeakPolarHBondContact O-CB 3.42Å; Q551-L554 WeakPolarHBondContact O-CG 3.33Å; Q551-L554 PolarHBondContact O-N 2.95Å; W552-L554 PolarHBondContact O-N 3.22Å; W552-L554 VanDerWaalsContact O-N 3.15Å; L554-L560 HydrophobicContact CB-CD1 4.46Å; L554-L560 HydrophobicContact CD2-CD1 3.87Å; L554-Y562 HydrophobicContact CB-CD2 3.68Å; L554-Y562 HydrophobicContact CB-CE2 3.91Å; L554-Y562 HydrophobicContact CB-CG 4.07Å; L554-Y562 HydrophobicContact CD1-CE1 4.33Å; L554-Y562 HydrophobicContact CD1-CE2 4.12Å; L554-Y562 HydrophobicContact CD2-CE2 4.04Å; L554-Y562 HydrophobicContact CG-CE2 4.25Å; L554-Y562 WeakPolarHBondContact O-CD2 3.38Å
555V97.8Very high97.7Very high11 Ų1144.3 Ų44.37%0.06721%0.213CC..Hα-helixtrans-87.3-24.8-178.665.30000112.4F528 W552 N566F528-V555 HydrophobicContact CB-CB 4.21Å; F528-V555 HydrophobicContact CB-CG2 3.85Å; F528-V555 HydrophobicContact CD1-CB 4.07Å; F528-V555 HydrophobicContact CD1-CG1 4.1Å; F528-V555 HydrophobicContact CD1-CG2 4.22Å; F528-V555 HydrophobicContact CD2-CB 4.09Å; F528-V555 HydrophobicContact CE1-CB 4.37Å; F528-V555 HydrophobicContact CE1-CG1 4.04Å; F528-V555 HydrophobicContact CE2-CB 4.41Å; F528-V555 HydrophobicContact CG-CB 3.89Å; F528-V555 HydrophobicContact CG-CG1 4.42Å; F528-V555 HydrophobicContact CG-CG2 4.04Å; F528-V555 HydrophobicContact CZ-CG1 4.3Å; W552-V555 HydrophobicContact CE3-CG1 4.29Å; W552-V555 WeakPolarHBondContact O-CG1 3.35Å; W552-V555 PolarHBondContact O-N 2.99Å; V555-N566 HydrophobicContact CG2-CB 3.42Å; V555-N566 VanDerWaalsContact CG2-CB 3.42Å; V555-N566 WeakPolarHBondContact CG2-ND2 3.47Å
556D97.9Very high97.8Very high92 Ų9241.6 Ų41.649%0.49220%0.204SC..Hα-helixtrans-81-17.6177.2-66.9-21.3000113.1R211 W552R211-D556 IonicContact CZ-OD1 2.78Å; R211-D556 IonicContact CZ-OD2 3.23Å; R211-D556 IonicContact NH1-OD1 2.88Å; R211-D556 PolarHBondContact NH1-OD1 2.8Å; R211-D556 IonicContact NH1-OD2 3.97Å; R211-D556 PolarHBondContact NH1-OD2 3.2Å; R211-D556 IonicContact NH2-OD1 2.74Å; R211-D556 IonicContact NH2-OD2 3.86Å; R211-D556 PolarHBondContact NH2-OD2 2.97Å; W552-D556 VanDerWaalsContact O-CG 3.29Å; W552-D556 PolarHBondContact O-N 3.22Å; W552-D556 VanDerWaalsContact O-N 3.09Å
557D98Very high98Very high69 Ų6938.7 Ų38.737%0.36919%0.192SC..  trans-83.8115178.8-168.6-23.9000111.9N553 L559 L560N553-D557 WeakPolarHBondContact O-CB 3.39Å; N553-D557 PolarHBondContact O-N 2.77Å; D557-L559 PolarHBondContact O-N 3.08Å; D557-L559 WeakPolarHBondContact OD1-CB 3.4Å; D557-L559 PolarHBondContact OD1-N 3.5Å; D557-L560 HydrophobicContact CB-CD1 4Å; D557-L560 HydrophobicContact CB-CG 4.05Å; D557-L560 PolarHBondContact O-N 3Å
558D97.3Very high98.1Very high114 Ų11435.4 Ų35.461%0.6118%0.179SC*.THydrogen-bonded Turntrans-64.4-17.4178.2-93-42.8000114.6L560 K563D558-L560 VanDerWaalsContact C-N 3.27Å; D558-K563 VanDerWaalsContact O-CE 3.23Å; D558-K563 WeakPolarHBondContact O-CE 3.22Å; D558-K563 PolarHBondContact O-NZ 3.39Å; D558-K563 IonicContact OD1-NZ 3.28Å; D558-K563 PolarHBondContact OD1-NZ 3.11Å
559L98.1Very high98.3Very high98 Ų9835.4 Ų35.451%0.51318%0.179SC..THydrogen-bonded Turntrans-82.9-5.3175.4-61.7179.2000112.5S489 T490 D557S489-L559 CarbonylContact C-O 3.55Å; S489-L559 WeakPolarHBondContact CA-O 3.34Å; S489-L559 PolarHBondContact OG-O 2.85Å; T490-L559 PolarHBondContact N-O 3.17Å; T490-L559 PolarHBondContact OG1-O 2.9Å; D557-L559 PolarHBondContact O-N 3.08Å; D557-L559 WeakPolarHBondContact OD1-CB 3.4Å; D557-L559 PolarHBondContact OD1-N 3.5Å
560L98.5Very high98.3Very high32 Ų3236.9 Ų36.917%0.16819%0.185CC..BIsolated β-bridgetrans-107.6155.7179.9-57.9-179.7000112.9M488 L554 D557 D558 Y562 K563M488-L560 CarbonylContact O-C 3.48Å; M488-L560 WeakPolarHBondContact O-CA 3.16Å; L554-L560 HydrophobicContact CB-CD1 4.46Å; L554-L560 HydrophobicContact CD2-CD1 3.87Å; D557-L560 HydrophobicContact CB-CD1 4Å; D557-L560 HydrophobicContact CB-CG 4.05Å; D557-L560 PolarHBondContact O-N 3Å; D558-L560 VanDerWaalsContact C-N 3.27Å; L560-Y562 HydrophobicContact CB-CD2 3.84Å; L560-Y562 HydrophobicContact CB-CE2 4.41Å; L560-Y562 HydrophobicContact CD1-CD2 4.12Å; L560-Y562 HydrophobicContact CD1-CE2 4.19Å; L560-K563 WeakPolarHBondContact O-CG 3.3Å
561R98.7Very high98.4Very high17 Ų1737.8 Ų37.86%0.06419%0.193CC..THydrogen-bonded Turntrans-83.7-11.5-175.6-69177.8168.8125.610.1113.4F487 M488 S489 T490 T492 P493 L502 K563 F564F487-R561 PolarHBondContact O-NH1 3.35Å; M488-R561 HydrophobicContact CE-CB 3.73Å; M488-R561 WeakPolarHBondContact O-CB 3.46Å; M488-R561 VanDerWaalsContact O-CG 3.32Å; M488-R561 WeakPolarHBondContact O-CG 3.13Å; M488-R561 PolarHBondContact O-N 3.17Å; M488-R561 HydrophobicContact SD-CB 3.91Å; S489-R561 PolarHBondContact O-NH1 3.21Å; S489-R561 PolarHBondContact O-NH2 3.46Å; T490-R561 HydrophobicContact CG2-CG 4.01Å; T492-R561 PolarHBondContact O-NH1 3.1Å; T492-R561 PolarHBondContact O-NH2 3.43Å; P493-R561 PolarHBondContact O-NH1 3.02Å; L502-R561 HydrophobicContact CD1-CB 4.39Å; R561-K563 PolarHBondContact O-N 3.44Å; R561-F564 HydrophobicContact CB-CD2 3.89Å; R561-F564 HydrophobicContact CB-CE2 4.2Å; R561-F564 HydrophobicContact CG-CD2 4.04Å; R561-F564 HydrophobicContact CG-CE2 3.84Å; R561-F564 VanDerWaalsContact O-CB 3.26Å; R561-F564 WeakPolarHBondContact O-CB 3.4Å; R561-F564 PolarHBondContact O-N 2.68Å
562Y98.6Very high98.4Very high8 Ų837 Ų373%0.03119%0.189CC..Hα-helixtrans-57.8-33.4177.7-61-81.9000112.2M484 M488 F528 G529 P531 L554 L560 F564 L565 N566M484-Y562 HydrophobicContact CE-CE1 3.92Å; M488-Y562 HydrophobicContact CB-CE2 3.78Å; M488-Y562 HydrophobicContact CE-CD1 3.49Å; M488-Y562 VanDerWaalsContact CE-CD1 3.49Å; M488-Y562 HydrophobicContact CE-CD2 3.85Å; M488-Y562 HydrophobicContact CE-CE1 3.57Å; M488-Y562 HydrophobicContact CE-CE2 3.91Å; M488-Y562 HydrophobicContact CE-CG 3.64Å; M488-Y562 HydrophobicContact CG-CE1 4.45Å; M488-Y562 HydrophobicContact CG-CE2 4.16Å; F528-Y562 HydrophobicContact CD2-CD1 4.06Å; F528-Y562 HydrophobicContact CD2-CG 4.42Å; F528-Y562 WeakPolarHBondContact O-CD1 3.33Å; G529-Y562 WeakPolarHBondContact O-CE1 3.49Å; P531-Y562 HydrophobicContact CG-CE1 4.37Å; L554-Y562 HydrophobicContact CB-CD2 3.68Å; L554-Y562 HydrophobicContact CB-CE2 3.91Å; L554-Y562 HydrophobicContact CB-CG 4.07Å; L554-Y562 HydrophobicContact CD1-CE1 4.33Å; L554-Y562 HydrophobicContact CD1-CE2 4.12Å; L554-Y562 HydrophobicContact CD2-CE2 4.04Å; L554-Y562 HydrophobicContact CG-CE2 4.25Å; L554-Y562 WeakPolarHBondContact O-CD2 3.38Å; L560-Y562 HydrophobicContact CB-CD2 3.84Å; L560-Y562 HydrophobicContact CB-CE2 4.41Å; L560-Y562 HydrophobicContact CD1-CD2 4.12Å; L560-Y562 HydrophobicContact CD1-CE2 4.19Å; Y562-F564 PolarHBondContact O-N 3.32Å; Y562-F564 VanDerWaalsContact O-N 3.15Å; Y562-L565 PolarHBondContact O-N 2.8Å; Y562-N566 PolarHBondContact O-N 3.48Å
563K98.5Very high98.4Very high44 Ų4436.3 Ų36.319%0.19119%0.187CC..Hα-helixtrans-57.6-28.1175.373.2-174.2179.6170.30113.7D558 L560 R561 N567D558-K563 VanDerWaalsContact O-CE 3.23Å; D558-K563 WeakPolarHBondContact O-CE 3.22Å; D558-K563 PolarHBondContact O-NZ 3.39Å; D558-K563 IonicContact OD1-NZ 3.28Å; D558-K563 PolarHBondContact OD1-NZ 3.11Å; L560-K563 WeakPolarHBondContact O-CG 3.3Å; R561-K563 PolarHBondContact O-N 3.44Å; K563-N567 VanDerWaalsContact O-CB 3.25Å; K563-N567 WeakPolarHBondContact O-CB 3.46Å; K563-N567 PolarHBondContact O-N 2.76Å; K563-N567 PolarHBondContact O-ND2 2.89Å; K563-N567 PolarHBondContact O-OD1 3.28Å
564F98.8Very high98.5Very high35 Ų3537 Ų3715%0.15419%0.188CC..Hα-helixtrans-68.2-44.9178.1-64.4-35000112T490 R561 Y562 N567 W568 E641T490-F564 HydrophobicContact CG2-CE2 4.3Å; T490-F564 HydrophobicContact CG2-CZ 4.25Å; R561-F564 HydrophobicContact CB-CD2 3.89Å; R561-F564 HydrophobicContact CB-CE2 4.2Å; R561-F564 HydrophobicContact CG-CD2 4.04Å; R561-F564 HydrophobicContact CG-CE2 3.84Å; R561-F564 VanDerWaalsContact O-CB 3.26Å; R561-F564 WeakPolarHBondContact O-CB 3.4Å; R561-F564 PolarHBondContact O-N 2.68Å; Y562-F564 PolarHBondContact O-N 3.32Å; Y562-F564 VanDerWaalsContact O-N 3.15Å; F564-N567 PolarHBondContact O-N 3.04Å; F564-W568 PolarHBondContact O-N 2.84Å; F564-E641 WeakPolarHBondContact CD1-O 3.38Å
565L98.8Very high98.5Very high1 Ų136.4 Ų36.41%0.00519%0.187CC..Hα-helixtrans-66-41.9175.1-61.1-175.7000110.8L502 H505 K506 E527 F528 Y562 N567 W568 D569L502-L565 HydrophobicContact CB-CD2 4.45Å; L502-L565 HydrophobicContact CD2-CD1 3.9Å; L502-L565 HydrophobicContact CD2-CD2 3.81Å; L502-L565 HydrophobicContact CD2-CG 3.75Å; H505-L565 HydrophobicContact CB-CD1 4.47Å; H505-L565 HydrophobicContact CB-CD2 4.18Å; K506-L565 HydrophobicContact CD-CD2 4.36Å; K506-L565 HydrophobicContact CG-CD2 3.77Å; E527-L565 CarbonylContact O-C 3.51Å; F528-L565 WeakPolarHBondContact O-CD1 3.41Å; Y562-L565 PolarHBondContact O-N 2.8Å; L565-N567 PolarHBondContact O-N 3.15Å; L565-W568 WeakPolarHBondContact O-CB 3.25Å; L565-W568 PolarHBondContact O-N 3.11Å; L565-D569 PolarHBondContact O-N 3.36Å
566N98.8Very high98.5Very high21 Ų2136 Ų3611%0.11218%0.184CC..Hα-helixtrans-62.7-39.8176.1-166.360.4000113.3Q215 F528 V555 Y562 W568 D569 R570Q215-N566 PolarHBondContact NE2-ND2 3.33Å; Q215-N566 PolarHBondContact NE2-OD1 2.81Å; Q215-N566 PolarHBondContact OE1-O 2.96Å; Q215-N566 VanDerWaalsContact OE1-O 3.04Å; F528-N566 HydrophobicContact CB-CB 3.79Å; V555-N566 HydrophobicContact CG2-CB 3.42Å; V555-N566 VanDerWaalsContact CG2-CB 3.42Å; V555-N566 WeakPolarHBondContact CG2-ND2 3.47Å; Y562-N566 PolarHBondContact O-N 3.48Å; N566-W568 VanDerWaalsContact C-N 3.35Å; N566-D569 PolarHBondContact O-N 3.32Å; N566-R570 PolarHBondContact O-N 3Å
567N98.8Very high98.5Very high34 Ų3435.9 Ų35.918%0.18218%0.181CC..Hα-helixtrans-67.5-38.7175.6-73.8-20.5000111.1K563 F564 L565 R570 A571 E641 F642K563-N567 VanDerWaalsContact O-CB 3.25Å; K563-N567 WeakPolarHBondContact O-CB 3.46Å; K563-N567 PolarHBondContact O-N 2.76Å; K563-N567 PolarHBondContact O-ND2 2.89Å; K563-N567 PolarHBondContact O-OD1 3.28Å; F564-N567 PolarHBondContact O-N 3.04Å; L565-N567 PolarHBondContact O-N 3.15Å; N567-R570 PolarHBondContact O-N 2.64Å; N567-R570 PolarHBondContact OD1-NH2 3.41Å; N567-A571 WeakPolarHBondContact O-CB 3.25Å; N567-A571 PolarHBondContact O-N 2.95Å; N567-E641 PolarHBondContact ND2-O 3.03Å; N567-E641 VanDerWaalsContact ND2-O 3.15Å; N567-F642 HydrophobicContact CB-CD1 3.83Å; N567-F642 HydrophobicContact CB-CE1 3.96Å; N567-F642 WeakPolarHBondContact O-CE1 3.27Å
568W98.8Very high98.5Very high0 Ų038.6 Ų38.60%019%0.189CC..Hα-helixtrans-63.5-42.4176.3176.4-104.5000111.6K506 L510 F564 L565 N566 A571 M572 L635 F642 C677K506-W568 HydrophobicContact CB-CD2 4.14Å; K506-W568 HydrophobicContact CB-CG 3.95Å; K506-W568 HydrophobicContact CB-CZ2 4.49Å; K506-W568 HydrophobicContact CD-CB 3.87Å; K506-W568 HydrophobicContact CD-CD2 3.99Å; K506-W568 HydrophobicContact CD-CG 3.7Å; K506-W568 HydrophobicContact CG-CB 3.93Å; K506-W568 VanDerWaalsContact CG-CD1 3.45Å; K506-W568 HydrophobicContact CG-CD2 4.09Å; K506-W568 HydrophobicContact CG-CG 3.52Å; K506-W568 PolarHBondContact O-NE1 3.24Å; K506-W568 VanDerWaalsContact O-NE1 3.11Å; L510-W568 HydrophobicContact CB-CZ2 4Å; L510-W568 HydrophobicContact CD2-CH2 4.14Å; L510-W568 HydrophobicContact CD2-CZ2 3.76Å; L510-W568 HydrophobicContact CG-CZ2 4.32Å; F564-W568 PolarHBondContact O-N 2.84Å; L565-W568 WeakPolarHBondContact O-CB 3.25Å; L565-W568 PolarHBondContact O-N 3.11Å; N566-W568 VanDerWaalsContact C-N 3.35Å; W568-A571 PolarHBondContact O-N 2.91Å; W568-M572 WeakPolarHBondContact O-CB 3.44Å; W568-M572 PolarHBondContact O-N 3.47Å; W568-L635 HydrophobicContact CH2-CB 4.03Å; W568-L635 HydrophobicContact CZ3-CB 4.28Å; W568-L635 HydrophobicContact CZ3-CD2 4.48Å; W568-F642 HydrophobicContact CB-CB 4.38Å; W568-F642 HydrophobicContact CB-CD1 3.89Å; W568-F642 HydrophobicContact CB-CG 4.23Å; W568-F642 HydrophobicContact CE3-CB 4.34Å; W568-F642 HydrophobicContact CE3-CD1 4.16Å; W568-F642 AromaticContact CE3-CD2 3.59Å; W568-F642 HydrophobicContact CE3-CD2 3.59Å; W568-F642 HydrophobicContact CE3-CE1 4.39Å; W568-F642 AromaticContact CE3-CE2 3.86Å; W568-F642 HydrophobicContact CE3-CE2 3.86Å; W568-F642 AromaticContact CE3-CG 3.76Å; W568-F642 HydrophobicContact CE3-CG 3.76Å; W568-F642 HydrophobicContact CE3-CZ 4.25Å; W568-F642 AromaticContact CZ3-CD2 3.98Å; W568-F642 HydrophobicContact CZ3-CD2 3.98Å; W568-F642 HydrophobicContact CZ3-CE2 4.08Å; W568-C677 VanDerWaalsContact CZ2-SG 3.58Å
569D98.9Very high98.5Very high0 Ų035.5 Ų35.50%017%0.169CC..Hα-helixtrans-57-51.1176-167.760.2000112.2Y217 R509 E527 L565 N566 A571 M572 N573Y217-D569 WeakPolarHBondContact CE2-OD2 3.37Å; Y217-D569 VanDerWaalsContact CZ-OD2 3.29Å; Y217-D569 VanDerWaalsContact OH-CG 3.25Å; Y217-D569 PolarHBondContact OH-OD1 3.17Å; Y217-D569 VanDerWaalsContact OH-OD1 3.11Å; Y217-D569 PolarHBondContact OH-OD2 2.94Å; R509-D569 IonicContact CZ-OD1 2.96Å; R509-D569 VanDerWaalsContact NH1-CG 3.31Å; R509-D569 IonicContact NH1-OD1 3.83Å; R509-D569 PolarHBondContact NH1-OD1 3.07Å; R509-D569 IonicContact NH2-OD1 2.72Å; R509-D569 PolarHBondContact NH2-OD1 2.91Å; R509-D569 IonicContact NH2-OD2 3.3Å; E527-D569 HydrophobicContact CB-CB 4.01Å; E527-D569 WeakPolarHBondContact CB-OD2 3.27Å; L565-D569 PolarHBondContact O-N 3.36Å; N566-D569 PolarHBondContact O-N 3.32Å; D569-A571 VanDerWaalsContact C-N 3.3Å; D569-A571 PolarHBondContact O-N 2.89Å; D569-M572 WeakPolarHBondContact O-CB 3.29Å; D569-M572 PolarHBondContact O-N 3.07Å; D569-M572 WeakPolarHBondContact OD1-CE 3.49Å; D569-N573 PolarHBondContact O-N 2.81Å; D569-N573 PolarHBondContact O-ND2 3.09Å; D569-N573 PolarHBondContact OD2-ND2 3.15Å
570R98.9Very high98.4Very high67 Ų6733 Ų3325%0.25316%0.155SC..Hα-helixtrans-54.8-47.8174.5-173.7170.359.7-119.5-3.6111.5K214 Q215 N566 N567 M572 N573 M574K214-R570 WeakPolarHBondContact O-CD 3.26Å; K214-R570 WeakPolarHBondContact O-CG 3.47Å; Q215-R570 VanDerWaalsContact OE1-CB 3.28Å; Q215-R570 VanDerWaalsContact OE1-N 3.09Å; N566-R570 PolarHBondContact O-N 3Å; N567-R570 PolarHBondContact O-N 2.64Å; N567-R570 PolarHBondContact OD1-NH2 3.41Å; R570-M572 VanDerWaalsContact C-N 3.31Å; R570-M572 PolarHBondContact O-N 3.25Å; R570-N573 PolarHBondContact O-N 3.45Å; R570-M574 HydrophobicContact CG-CE 4.35Å; R570-M574 HydrophobicContact CG-CG 4.11Å; R570-M574 WeakPolarHBondContact O-CB 3.4Å; R570-M574 WeakPolarHBondContact O-CG 3.37Å; R570-M574 PolarHBondContact O-N 3.33Å
571A98.8Very high98.4Very high23 Ų2331.5 Ų31.519%0.1915%0.147CC..Hα-helixtrans-61.8-40.9-178.700000111.8N567 W568 D569 A575 L635 F642N567-A571 WeakPolarHBondContact O-CB 3.25Å; N567-A571 PolarHBondContact O-N 2.95Å; W568-A571 PolarHBondContact O-N 2.91Å; D569-A571 VanDerWaalsContact C-N 3.3Å; D569-A571 PolarHBondContact O-N 2.89Å; A571-A575 WeakPolarHBondContact O-CB 3.3Å; A571-A575 PolarHBondContact O-N 3.3Å; A571-L635 HydrophobicContact CB-CD2 4.02Å; A571-F642 HydrophobicContact CB-CE1 3.81Å; A571-F642 HydrophobicContact CB-CZ 3.57Å
572M98.8Very high98.4Very high0 Ų030.7 Ų30.70%014%0.144CC..Hα-helixtrans-61-50.7176.7178.917763.300111.8R509 L510 H513 W520 W568 D569 R570 A575 E576R509-M572 HydrophobicContact CB-CE 4.4Å; L510-M572 HydrophobicContact CB-SD 4.29Å; L510-M572 HydrophobicContact CD1-CG 3.83Å; L510-M572 HydrophobicContact CD1-SD 4.01Å; H513-M572 HydrophobicContact CB-CE 4.39Å; H513-M572 HydrophobicContact CB-CG 4.4Å; H513-M572 HydrophobicContact CB-SD 3.59Å; H513-M572 VanDerWaalsContact CB-SD 3.59Å; H513-M572 VanDerWaalsContact CD2-CE 3.47Å; H513-M572 WeakPolarHBondContact CD2-CE 3.17Å; H513-M572 PolarHBondContact CD2-SD 2.87Å; W520-M572 HydrophobicContact CZ2-CE 4.04Å; W568-M572 WeakPolarHBondContact O-CB 3.44Å; W568-M572 PolarHBondContact O-N 3.47Å; D569-M572 WeakPolarHBondContact O-CB 3.29Å; D569-M572 PolarHBondContact O-N 3.07Å; D569-M572 WeakPolarHBondContact OD1-CE 3.49Å; R570-M572 VanDerWaalsContact C-N 3.31Å; R570-M572 PolarHBondContact O-N 3.25Å; M572-A575 PolarHBondContact O-N 3.5Å; M572-E576 PolarHBondContact O-N 3.08Å
573N98.8Very high98.3Very high0 Ų032.3 Ų32.30%016%0.156CC..Hα-helixtrans-65.4-42179.6-69.5-38000112.2Q215 Y217 H513 D569 R570 A575 E576 E577Q215-N573 VanDerWaalsContact O-CB 3.25Å; Q215-N573 WeakPolarHBondContact O-CB 3.17Å; Q215-N573 PolarHBondContact O-ND2 3.34Å; Y217-N573 WeakPolarHBondContact CE2-ND2 3.49Å; H513-N573 PolarHBondContact NE2-OD1 3Å; D569-N573 PolarHBondContact O-N 2.81Å; D569-N573 PolarHBondContact O-ND2 3.09Å; D569-N573 PolarHBondContact OD2-ND2 3.15Å; R570-N573 PolarHBondContact O-N 3.45Å; N573-A575 VanDerWaalsContact C-N 3.33Å; N573-A575 PolarHBondContact O-N 2.8Å; N573-E576 PolarHBondContact O-N 3.19Å; N573-E577 PolarHBondContact O-N 3.08Å
574M98.5Very high98.1Very high89 Ų8932.7 Ų32.744%0.43816%0.164SC..Hα-helixtrans-66.5-35.8177.8-66.9-65.9163.900112.1G216 R570 E577 K578G216-M574 VanDerWaalsContact CA-CE 3.42Å; R570-M574 HydrophobicContact CG-CE 4.35Å; R570-M574 HydrophobicContact CG-CG 4.11Å; R570-M574 WeakPolarHBondContact O-CB 3.4Å; R570-M574 WeakPolarHBondContact O-CG 3.37Å; R570-M574 PolarHBondContact O-N 3.33Å; M574-E577 PolarHBondContact O-N 3.26Å; M574-K578 PolarHBondContact O-N 3.48Å; M574-K578 VanDerWaalsContact O-N 3.1Å
575A98.3Very high97.8Very high10 Ų1032.2 Ų32.28%0.08317%0.17CC..Hα-helixtrans-68.8-37.1173.400000111.1A571 M572 N573 K578 Y579 W581 L635A571-A575 WeakPolarHBondContact O-CB 3.3Å; A571-A575 PolarHBondContact O-N 3.3Å; M572-A575 PolarHBondContact O-N 3.5Å; N573-A575 VanDerWaalsContact C-N 3.33Å; N573-A575 PolarHBondContact O-N 2.8Å; A575-K578 PolarHBondContact O-N 3.12Å; A575-Y579 VanDerWaalsContact O-CD2 3.26Å; A575-Y579 WeakPolarHBondContact O-CD2 3.38Å; A575-Y579 PolarHBondContact O-N 2.83Å; A575-W581 HydrophobicContact CB-CH2 3.51Å; A575-W581 HydrophobicContact CB-CZ3 3.99Å; A575-W581 WeakPolarHBondContact O-CZ3 3.27Å; A575-L635 HydrophobicContact CB-CD1 3.94Å; A575-L635 HydrophobicContact CB-CD2 3.83Å; A575-L635 HydrophobicContact CB-CG 3.91Å
576E98.6Very high97.5Very high1 Ų136 Ų361%0.00519%0.194CC..Hα-helixtrans-65.1-41.4173-162.4-84.1153.100111.9R183 M572 N573 K578 Y579 H580 W581 L582R183-E576 WeakPolarHBondContact CD-OE2 3.37Å; R183-E576 IonicContact CZ-OE2 2.64Å; R183-E576 IonicContact NE-OE2 3.92Å; R183-E576 IonicContact NH1-OE2 3.55Å; R183-E576 PolarHBondContact NH1-OE2 2.92Å; M572-E576 PolarHBondContact O-N 3.08Å; N573-E576 PolarHBondContact O-N 3.19Å; E576-K578 PolarHBondContact O-N 3.17Å; E576-Y579 PolarHBondContact O-N 2.8Å; E576-H580 WeakPolarHBondContact O-CA 3.38Å; E576-H580 PolarHBondContact O-N 3.04Å; E576-H580 WeakPolarHBondContact OE1-CA 3.4Å; E576-W581 HydrophobicContact CB-CD2 4.26Å; E576-W581 HydrophobicContact CB-CH2 4.11Å; E576-W581 HydrophobicContact CB-CZ2 3.51Å; E576-W581 HydrophobicContact CG-CD2 3.94Å; E576-W581 HydrophobicContact CG-CG 4.11Å; E576-W581 HydrophobicContact CG-CZ2 4.01Å; E576-W581 VanDerWaalsContact N-CH2 3.27Å; E576-L582 HydrophobicContact CG-CB 4.35Å; E576-L582 HydrophobicContact CG-CD1 3.84Å; E576-L582 HydrophobicContact CG-CG 3.81Å; E576-L582 WeakPolarHBondContact OE1-CB 3.38Å; E576-L582 PolarHBondContact OE1-N 3.43Å
577E97.4Very high97.3Very high91 Ų9135.9 Ų35.943%0.42520%0.198SC..Hα-helixtrans-60.9-29.8174.8-175.454.7-143.800112.1R183 N573 M574 H580R183-E577 IonicContact CZ-OE2 3.68Å; R183-E577 IonicContact NH1-OE2 3.91Å; R183-E577 PolarHBondContact NH1-OE2 2.95Å; R183-E577 IonicContact NH2-OE2 2.75Å; R183-E577 PolarHBondContact NH2-OE2 3.11Å; N573-E577 PolarHBondContact O-N 3.08Å; M574-E577 PolarHBondContact O-N 3.26Å; E577-H580 PolarHBondContact O-CE1 3.34Å; E577-H580 PolarHBondContact O-ND1 3.36Å; E577-H580 PolarHBondContact O-NE2 2.81Å; E577-H580 IonicContact OE1-CE1 3.79Å
578K97.2Very high97.2Very high126 Ų12638.5 Ų38.555%0.54821%0.208SC..Hα-helixtrans-80.7-40.3177.2-175.7173.4180179.30113.7M574 A575 E576M574-K578 PolarHBondContact O-N 3.48Å; M574-K578 VanDerWaalsContact O-N 3.1Å; A575-K578 PolarHBondContact O-N 3.12Å; E576-K578 PolarHBondContact O-N 3.17Å
579Y97.4Very high97.2Very high48 Ų4839.7 Ų39.719%0.18822%0.215CC..Hα-helixtrans-108.8-11.2-169.2-66.9-73.9000114A575 E576 W581 V606 V634 A681A575-Y579 VanDerWaalsContact O-CD2 3.26Å; A575-Y579 WeakPolarHBondContact O-CD2 3.38Å; A575-Y579 PolarHBondContact O-N 2.83Å; E576-Y579 PolarHBondContact O-N 2.8Å; Y579-W581 VanDerWaalsContact C-N 3.32Å; Y579-W581 HydrophobicContact CD2-CZ3 4.16Å; Y579-W581 HydrophobicContact CG-CZ3 4.44Å; Y579-W581 PolarHBondContact O-N 2.85Å; Y579-V606 HydrophobicContact CD1-CG2 3.85Å; Y579-V606 HydrophobicContact CD2-CG2 4.41Å; Y579-V606 HydrophobicContact CG-CG2 3.7Å; Y579-V634 HydrophobicContact CE2-CB 3.82Å; Y579-V634 HydrophobicContact CE2-CG1 3.86Å; Y579-V634 HydrophobicContact CE2-CG2 4.09Å; Y579-V634 WeakPolarHBondContact OH-CG1 3.35Å; Y579-A681 HydrophobicContact CD1-CB 4.21Å; Y579-A681 HydrophobicContact CE1-CB 3.55Å
580H97.7Very high97.1Very high46 Ų4640.4 Ų40.421%0.21322%0.22CC..  trans53.337.8172.1-52.7-63.6000115.4R180 E576 E577 L582 S583 S584R180-H580 PolarHBondContact NH1-CD2 2.89Å; E576-H580 WeakPolarHBondContact O-CA 3.38Å; E576-H580 PolarHBondContact O-N 3.04Å; E576-H580 WeakPolarHBondContact OE1-CA 3.4Å; E577-H580 PolarHBondContact O-CE1 3.34Å; E577-H580 PolarHBondContact O-ND1 3.36Å; E577-H580 PolarHBondContact O-NE2 2.81Å; E577-H580 IonicContact OE1-CE1 3.79Å; H580-L582 VanDerWaalsContact C-N 3.3Å; H580-L582 PolarHBondContact O-N 3.48Å; H580-S583 PolarHBondContact O-N 2.78Å; H580-S583 PolarHBondContact O-OG 3.45Å; H580-S584 PolarHBondContact O-N 3.21Å; H580-S584 PolarHBondContact O-OG 2.78Å
581W98.1Very high97Very high0 Ų039.9 Ų39.90%022%0.219CC..  trans-66.4-28.7-176.255.171.2000113.4H513 A575 E576 Y579 S583 S584 R603 V606 F608 L635H513-W581 AromaticContact CE1-NE1 3.72Å; H513-W581 AromaticContact ND1-NE1 3.37Å; H513-W581 PolarHBondContact ND1-NE1 3.02Å; A575-W581 HydrophobicContact CB-CH2 3.51Å; A575-W581 HydrophobicContact CB-CZ3 3.99Å; A575-W581 WeakPolarHBondContact O-CZ3 3.27Å; E576-W581 HydrophobicContact CB-CD2 4.26Å; E576-W581 HydrophobicContact CB-CH2 4.11Å; E576-W581 HydrophobicContact CB-CZ2 3.51Å; E576-W581 HydrophobicContact CG-CD2 3.94Å; E576-W581 HydrophobicContact CG-CG 4.11Å; E576-W581 HydrophobicContact CG-CZ2 4.01Å; E576-W581 VanDerWaalsContact N-CH2 3.27Å; Y579-W581 VanDerWaalsContact C-N 3.32Å; Y579-W581 HydrophobicContact CD2-CZ3 4.16Å; Y579-W581 HydrophobicContact CG-CZ3 4.44Å; Y579-W581 PolarHBondContact O-N 2.85Å; W581-S583 VanDerWaalsContact C-N 3.29Å; W581-S583 PolarHBondContact O-N 2.89Å; W581-S584 PolarHBondContact O-N 3.25Å; W581-R603 HydrophobicContact CB-CB 4.32Å; W581-R603 HydrophobicContact CB-CG 4.16Å; W581-R603 WeakPolarHBondContact O-CD 3.46Å; W581-R603 PolarHBondContact O-NE 3.43Å; W581-R603 VanDerWaalsContact O-NE 3.08Å; W581-V606 HydrophobicContact CE3-CG2 4.1Å; W581-V606 HydrophobicContact CZ3-CG2 4.47Å; W581-F608 AromaticContact CD2-CZ 3.79Å; W581-F608 HydrophobicContact CD2-CZ 3.79Å; W581-F608 AromaticContact CE3-CZ 3.76Å; W581-F608 HydrophobicContact CE3-CZ 3.76Å; W581-F608 HydrophobicContact CG-CZ 4.2Å; W581-F608 HydrophobicContact CH2-CZ 4.47Å; W581-F608 HydrophobicContact CZ3-CE1 4.5Å; W581-F608 HydrophobicContact CZ3-CZ 4.12Å; W581-L635 HydrophobicContact CH2-CD1 4.05Å
582L98.1Very high96.9Very high0 Ų043.9 Ų43.90%023%0.232CC..THydrogen-bonded Turntrans-63.6-38.2178.9-73.3173.1000111.4A181 R183 H513 G517 E518 W520 E576 H580 R603A181-L582 HydrophobicContact CB-CB 3.54Å; A181-L582 HydrophobicContact CB-CD1 4.16Å; R183-L582 HydrophobicContact CG-CD1 4.16Å; H513-L582 WeakPolarHBondContact O-CD2 3.41Å; G517-L582 WeakPolarHBondContact O-CD2 3.4Å; E518-L582 WeakPolarHBondContact CA-O 3.21Å; W520-L582 HydrophobicContact CB-CD1 4.08Å; E576-L582 HydrophobicContact CG-CB 4.35Å; E576-L582 HydrophobicContact CG-CD1 3.84Å; E576-L582 HydrophobicContact CG-CG 3.81Å; E576-L582 WeakPolarHBondContact OE1-CB 3.38Å; E576-L582 PolarHBondContact OE1-N 3.43Å; H580-L582 VanDerWaalsContact C-N 3.3Å; H580-L582 PolarHBondContact O-N 3.48Å; L582-R603 PolarHBondContact O-NH2 3.24Å
583S96.5Very high96.9Very high42 Ų4246.6 Ų46.629%0.29424%0.244SC..THydrogen-bonded Turntrans-86.4-2.1179.470.80000114.9R180 H580 W581 G585R180-S583 PolarHBondContact NE-OG 3.4Å; R180-S583 PolarHBondContact NH2-OG 2.99Å; H580-S583 PolarHBondContact O-N 2.78Å; H580-S583 PolarHBondContact O-OG 3.45Å; W581-S583 VanDerWaalsContact C-N 3.29Å; W581-S583 PolarHBondContact O-N 2.89Å; S583-G585 VanDerWaalsContact C-N 3.29Å; S583-G585 PolarHBondContact O-N 3.02Å
584S95.3Very high96.9Very high52 Ų5249.8 Ų49.836%0.36426%0.259SS..SBendtrans-87.911.6-170.8-68.10000114.5H580 W581 G604H580-S584 PolarHBondContact O-N 3.21Å; H580-S584 PolarHBondContact O-OG 2.78Å; W581-S584 PolarHBondContact O-N 3.25Å; S584-G604 VanDerWaalsContact CB-CA 3.44Å; S584-G604 WeakPolarHBondContact OG-CA 3.29Å
585G91.3Very high96.8Very high26 Ų2651.4 Ų51.427%0.26827%0.269SS..  trans79.6-169.5-172.800000113.1S583 R603S583-G585 VanDerWaalsContact C-N 3.29Å; S583-G585 PolarHBondContact O-N 3.02Å; G585-R603 PolarHBondContact O-NE 3Å; G585-R603 PolarHBondContact O-NH2 3.18Å
586P92.6Very high96.8Very high79 Ų7952.6 Ų52.651%0.51328%0.275SS..SBendtrans-66.8147.7-177.927.8-34.4000111.9Y454Y454-P586 HydrophobicContact CD2-CG 4.14Å; Y454-P586 HydrophobicContact CE2-CG 3.9Å
587G93.9Very high96.8Very high19 Ų1953.9 Ų53.920%0.19628%0.28CS..  trans-72.9163.6172.400000112.4E602G587-E602 CarbonylContact C-O 3.59Å; G587-E602 VanDerWaalsContact CA-O 3.25Å; G587-E602 WeakPolarHBondContact CA-O 3.49Å
588F97.3Very high96.8Very high90 Ų9049.5 Ų49.540%0.39526%0.26SS..EExtended strand (participates in β ladder)trans-109.7104.7168.1-173.3-81.3000109.2S590 F601 E602 R664F588-S590 PolarHBondContact O-N 2.97Å; F588-F601 CarbonylContact O-C 3.57Å; F588-F601 VanDerWaalsContact O-CA 3.23Å; F588-F601 WeakPolarHBondContact O-CA 3.42Å; F588-F601 WeakPolarHBondContact O-CB 3.28Å; F588-E602 PolarHBondContact N-O 3.4Å; F588-E602 PolarHBondContact O-N 2.95Å; F588-R664 HydrophobicContact CE1-CG 4.25Å
589T98.1Very high96.9Very high25 Ų2543.5 Ų43.515%0.15323%0.234CC..EExtended strand (participates in β ladder)trans-78.9103.9173.7-62.60000110.9V446 E450 K592 F601V446-T589 HydrophobicContact CG1-CG2 3.9Å; V446-T589 HydrophobicContact CG2-CG2 4.18Å; E450-T589 WeakPolarHBondContact OE1-CB 3.28Å; E450-T589 PolarHBondContact OE1-OG1 3.46Å; T589-K592 HydrophobicContact CG2-CD 4.45Å; T589-F601 HydrophobicContact CG2-CB 4.39Å; T589-F601 WeakPolarHBondContact OG1-CB 3.24Å
590S97.4Very high97Very high15 Ų1541.2 Ų41.211%0.10523%0.225CC..EExtended strand (participates in β ladder)trans-81.2-29.9177.958.20000112F588 A600 A662F588-S590 PolarHBondContact O-N 2.97Å; S590-A600 PolarHBondContact N-O 3.46Å; S590-A600 PolarHBondContact OG-O 3.3Å; S590-A662 WeakPolarHBondContact O-CB 3.31Å
591W97.1Very high97Very high56 Ų5639 Ų3921%0.21221%0.214CC..EExtended strand (participates in β ladder)trans-139.9134.6-172.6-149-116.4000112.7H593 I599 A600 Y621 Y661 A662W591-H593 AromaticContact CE2-CD2 3.92Å; W591-H593 AromaticContact CZ2-CD2 3.66Å; W591-H593 AromaticContact NE1-CD2 3.83Å; W591-H593 AromaticContact NE1-CG 3.97Å; W591-I599 CarbonylContact O-C 3.32Å; W591-I599 WeakPolarHBondContact O-CA 3.4Å; W591-A600 HydrophobicContact CB-CB 3.8Å; W591-A600 PolarHBondContact N-O 3.43Å; W591-A600 PolarHBondContact O-N 2.89Å; W591-Y621 AromaticContact CD1-CE1 3.77Å; W591-Y621 AromaticContact NE1-CE1 3.49Å; W591-Y621 AromaticContact NE1-CZ 3.6Å; W591-Y621 PolarHBondContact NE1-OH 3.31Å; W591-Y661 HydrophobicContact CE3-CE1 4.26Å; W591-Y661 HydrophobicContact CH2-CE1 4.21Å; W591-Y661 HydrophobicContact CH2-CE2 4.48Å; W591-Y661 AromaticContact CH2-CZ 3.73Å; W591-Y661 WeakPolarHBondContact CH2-OH 3.46Å; W591-Y661 VanDerWaalsContact CZ2-OH 3.24Å; W591-Y661 WeakPolarHBondContact CZ2-OH 3.28Å; W591-Y661 HydrophobicContact CZ3-CE1 4.06Å; W591-Y661 AromaticContact CZ3-CZ 3.98Å; W591-A662 HydrophobicContact CE3-CB 3.49Å; W591-A662 VanDerWaalsContact CE3-CB 3.49Å; W591-A662 HydrophobicContact CZ3-CB 3.7Å
592K97.4Very high97Very high107 Ų10739.7 Ų39.747%0.46522%0.218SC..EExtended strand (participates in β ladder)trans-149.673.6174.650.8-168.6176.1-165.20109.2M442 V446 T589M442-K592 HydrophobicContact CB-CB 4.36Å; V446-K592 HydrophobicContact CB-CD 4.32Å; V446-K592 HydrophobicContact CG1-CD 4.2Å; V446-K592 HydrophobicContact CG2-CB 4.23Å; V446-K592 HydrophobicContact CG2-CD 4.5Å; T589-K592 HydrophobicContact CG2-CD 4.45Å
593H98.1Very high97Very high56 Ų5640 Ų4026%0.25922%0.218SC..EExtended strand (participates in β ladder)trans-90.7119.1-169.4-165.6-61000111.6M442 W591 D595 D596 K597 V598M442-H593 WeakPolarHBondContact CG-O 3.07Å; W591-H593 AromaticContact CE2-CD2 3.92Å; W591-H593 AromaticContact CZ2-CD2 3.66Å; W591-H593 AromaticContact NE1-CD2 3.83Å; W591-H593 AromaticContact NE1-CG 3.97Å; H593-D595 PolarHBondContact ND1-N 3.17Å; H593-D596 HydrophobicContact CB-CB 4.4Å; H593-D596 IonicContact CD2-OD2 3.99Å; H593-D596 IonicContact CE1-OD2 2.91Å; H593-D596 IonicContact CG-OD2 2.59Å; H593-D596 PolarHBondContact ND1-N 2.91Å; H593-D596 VanDerWaalsContact ND1-N 3.2Å; H593-D596 IonicContact ND1-OD2 3.8Å; H593-D596 IonicContact NE2-OD2 2.85Å; H593-K597 VanDerWaalsContact O-CA 3.23Å; H593-K597 WeakPolarHBondContact O-CA 3.2Å; H593-K597 PolarHBondContact O-N 2.77Å; H593-V598 PolarHBondContact N-O 3.47Å; H593-V598 PolarHBondContact O-N 3.21Å
594E97.9Very high97Very high68 Ų6839.3 Ų39.332%0.31822%0.219SC..THydrogen-bonded Turntrans-72-45-172.1-60.8-59.2164.700113.4K441 M442 G443 K597K441-E594 VanDerWaalsContact CA-OE2 3.26Å; K441-E594 WeakPolarHBondContact CA-OE2 3.26Å; M442-E594 PolarHBondContact N-OE1 3.31Å; M442-E594 PolarHBondContact N-OE2 2.84Å; G443-E594 PolarHBondContact N-OE1 3.49Å; E594-K597 VanDerWaalsContact O-CD 3.25Å; E594-K597 WeakPolarHBondContact O-CD 3.02Å; E594-K597 WeakPolarHBondContact O-CE 3.46Å; E594-K597 PolarHBondContact O-N 3.11Å; E594-K597 PolarHBondContact O-NZ 3.31Å
595D97Very high96.9Very high122 Ų12239 Ų3965%0.65222%0.224SC*.THydrogen-bonded Turntrans-72.2-48-176.2-61.2-39.4000112.3H593 K597H593-D595 PolarHBondContact ND1-N 3.17Å; D595-K597 PolarHBondContact O-N 2.76Å
596D97.8Very high97.3Very high36 Ų3637.8 Ų37.819%0.19321%0.211CC..THydrogen-bonded Turntrans-69.5-16.3175-66-18.4000113.4H593 V598 H613 F618 Y621H593-D596 HydrophobicContact CB-CB 4.4Å; H593-D596 IonicContact CD2-OD2 3.99Å; H593-D596 IonicContact CE1-OD2 2.91Å; H593-D596 IonicContact CG-OD2 2.59Å; H593-D596 PolarHBondContact ND1-N 2.91Å; H593-D596 VanDerWaalsContact ND1-N 3.2Å; H593-D596 IonicContact ND1-OD2 3.8Å; H593-D596 IonicContact NE2-OD2 2.85Å; D596-V598 VanDerWaalsContact C-N 3.26Å; D596-V598 HydrophobicContact CB-CB 4.46Å; D596-V598 HydrophobicContact CB-CG2 3.98Å; D596-V598 PolarHBondContact O-N 2.7Å; D596-H613 WeakPolarHBondContact O-CB 3.48Å; D596-F618 HydrophobicContact CB-CE1 4.22Å; D596-F618 HydrophobicContact CB-CE2 4.11Å; D596-F618 HydrophobicContact CB-CZ 3.6Å; D596-Y621 HydrophobicContact CB-CE2 4.17Å; D596-Y621 WeakPolarHBondContact OD2-CE2 3.42Å; D596-Y621 PolarHBondContact OD2-OH 3Å
597K98.5Very high97.6Very high27 Ų2734 Ų3412%0.11719%0.187CC..THydrogen-bonded Turntrans56.339-174.5-58.9-73.2-173.5-70.70112.4E438 W440 M442 H593 E594 D595 F612 H613E438-K597 WeakPolarHBondContact O-CE 3.38Å; E438-K597 PolarHBondContact O-NZ 2.98Å; W440-K597 WeakPolarHBondContact O-CD 3.33Å; W440-K597 WeakPolarHBondContact O-CE 3.22Å; M442-K597 HydrophobicContact CE-CD 3.86Å; M442-K597 HydrophobicContact CG-CD 4.35Å; M442-K597 HydrophobicContact SD-CB 4.24Å; M442-K597 HydrophobicContact SD-CD 4.35Å; H593-K597 VanDerWaalsContact O-CA 3.23Å; H593-K597 WeakPolarHBondContact O-CA 3.2Å; H593-K597 PolarHBondContact O-N 2.77Å; E594-K597 VanDerWaalsContact O-CD 3.25Å; E594-K597 WeakPolarHBondContact O-CD 3.02Å; E594-K597 WeakPolarHBondContact O-CE 3.46Å; E594-K597 PolarHBondContact O-N 3.11Å; E594-K597 PolarHBondContact O-NZ 3.31Å; D595-K597 PolarHBondContact O-N 2.76Å; K597-F612 HydrophobicContact CB-CB 4.12Å; K597-F612 PolarHBondContact O-N 2.92Å; K597-H613 HydrophobicContact CB-CB 4.1Å
598V98.7Very high97.8Very high0 Ų033.1 Ų33.10%018%0.177CC..EExtended strand (participates in β ladder)trans-107.9129.5-178.8178.20000110.9H593 D596 V609 F610 N611 F618 Y621H593-V598 PolarHBondContact N-O 3.47Å; H593-V598 PolarHBondContact O-N 3.21Å; D596-V598 VanDerWaalsContact C-N 3.26Å; D596-V598 HydrophobicContact CB-CB 4.46Å; D596-V598 HydrophobicContact CB-CG2 3.98Å; D596-V598 PolarHBondContact O-N 2.7Å; V598-V609 HydrophobicContact CG1-CG1 4.22Å; V598-F610 CarbonylContact C-O 3.59Å; V598-F610 VanDerWaalsContact CA-O 3.23Å; V598-F610 WeakPolarHBondContact CA-O 3.49Å; V598-N611 HydrophobicContact CG2-CB 4.29Å; V598-F618 HydrophobicContact CG2-CD2 4.25Å; V598-F618 HydrophobicContact CG2-CE2 4.01Å; V598-Y621 HydrophobicContact CB-CE1 3.96Å; V598-Y621 HydrophobicContact CG1-CD1 4.12Å; V598-Y621 HydrophobicContact CG1-CE1 3.59Å; V598-Y621 HydrophobicContact CG2-CE1 4.2Å; V598-Y621 HydrophobicContact CG2-CE2 4.14Å
599I98.9Very high97.9Very high0 Ų028.9 Ų28.90%016%0.159CC..EExtended strand (participates in β ladder)trans-113.1134.2170-65.2167.2000108.3M442 I445 V446 I511 W591 F601 V609 F610 F612M442-I599 HydrophobicContact CB-CD1 4.03Å; M442-I599 HydrophobicContact CB-CG1 3.79Å; M442-I599 HydrophobicContact CG-CD1 4.4Å; M442-I599 HydrophobicContact CG-CG1 4.12Å; M442-I599 HydrophobicContact SD-CD1 3.73Å; M442-I599 HydrophobicContact SD-CG1 3.85Å; I445-I599 HydrophobicContact CB-CD1 4.41Å; I445-I599 HydrophobicContact CG2-CD1 4.27Å; V446-I599 HydrophobicContact CG2-CD1 3.92Å; V446-I599 HydrophobicContact CG2-CG1 4.12Å; V446-I599 HydrophobicContact CG2-CG2 3.84Å; I511-I599 HydrophobicContact CD1-CD1 3.79Å; I511-I599 HydrophobicContact CD1-CG2 4.25Å; W591-I599 CarbonylContact O-C 3.32Å; W591-I599 WeakPolarHBondContact O-CA 3.4Å; I599-F601 HydrophobicContact CG2-CD1 3.98Å; I599-F601 HydrophobicContact CG2-CE1 4.42Å; I599-V609 WeakPolarHBondContact O-CA 3.43Å; I599-F610 HydrophobicContact CB-CB 4.35Å; I599-F610 PolarHBondContact N-O 3.36Å; I599-F610 PolarHBondContact O-N 3.1Å; I599-F612 HydrophobicContact CD1-CD2 4.29Å; I599-F612 HydrophobicContact CD1-CE2 4.11Å
600A98.7Very high97.9Very high0 Ų027.7 Ų27.70%015%0.151CC..EExtended strand (participates in β ladder)trans-137.8135.6170.700000111.7S590 W591 F608 V609 V623S590-A600 PolarHBondContact N-O 3.46Å; S590-A600 PolarHBondContact OG-O 3.3Å; W591-A600 HydrophobicContact CB-CB 3.8Å; W591-A600 PolarHBondContact N-O 3.43Å; W591-A600 PolarHBondContact O-N 2.89Å; A600-F608 WeakPolarHBondContact CA-O 3.36Å; A600-V609 HydrophobicContact CB-CG2 4.35Å; A600-V623 HydrophobicContact CB-CG1 3.65Å
601F98.7Very high98Very high0 Ų027 Ų270%015%0.146CC..EExtended strand (participates in β ladder)trans-150.9157.6179.862.9-94.3000111.8I511 A514 L515 F588 T589 I599 F608 F610I511-F601 HydrophobicContact CG1-CE1 4.16Å; A514-F601 HydrophobicContact CB-CE2 3.89Å; A514-F601 HydrophobicContact CB-CZ 3.8Å; L515-F601 HydrophobicContact CB-CE1 4.26Å; L515-F601 HydrophobicContact CB-CE2 4.16Å; L515-F601 HydrophobicContact CB-CZ 3.88Å; L515-F601 HydrophobicContact CD1-CD2 3.98Å; L515-F601 HydrophobicContact CD1-CE2 4.16Å; L515-F601 HydrophobicContact CD1-CG 4.16Å; L515-F601 HydrophobicContact CD2-CD1 4.19Å; L515-F601 HydrophobicContact CD2-CE1 4.15Å; F588-F601 CarbonylContact O-C 3.57Å; F588-F601 VanDerWaalsContact O-CA 3.23Å; F588-F601 WeakPolarHBondContact O-CA 3.42Å; F588-F601 WeakPolarHBondContact O-CB 3.28Å; T589-F601 HydrophobicContact CG2-CB 4.39Å; T589-F601 WeakPolarHBondContact OG1-CB 3.24Å; I599-F601 HydrophobicContact CG2-CD1 3.98Å; I599-F601 HydrophobicContact CG2-CE1 4.42Å; F601-F608 HydrophobicContact CD1-CB 4.27Å; F601-F608 HydrophobicContact CD2-CB 4.15Å; F601-F608 AromaticContact CD2-CD2 3.75Å; F601-F608 HydrophobicContact CD2-CD2 3.75Å; F601-F608 HydrophobicContact CD2-CG 4.24Å; F601-F608 HydrophobicContact CE1-CB 3.92Å; F601-F608 HydrophobicContact CE2-CB 3.78Å; F601-F608 HydrophobicContact CE2-CD1 4.46Å; F601-F608 AromaticContact CE2-CD2 3.32Å; F601-F608 HydrophobicContact CE2-CD2 3.32Å; F601-F608 HydrophobicContact CE2-CE2 4Å; F601-F608 AromaticContact CE2-CG 3.61Å; F601-F608 HydrophobicContact CE2-CG 3.61Å; F601-F608 HydrophobicContact CG-CB 4.38Å; F601-F608 HydrophobicContact CZ-CB 3.65Å; F601-F608 HydrophobicContact CZ-CD1 4.41Å; F601-F608 HydrophobicContact CZ-CD2 4Å; F601-F608 AromaticContact CZ-CG 3.77Å; F601-F608 HydrophobicContact CZ-CG 3.77Å; F601-F608 PolarHBondContact N-O 2.88Å; F601-F608 PolarHBondContact O-N 3.49Å; F601-F610 HydrophobicContact CD1-CE2 4.4Å; F601-F610 AromaticContact CE1-CD2 3.99Å; F601-F610 HydrophobicContact CE1-CD2 3.99Å; F601-F610 AromaticContact CE1-CE2 3.4Å; F601-F610 HydrophobicContact CE1-CE2 3.4Å; F601-F610 HydrophobicContact CE1-CZ 4.31Å; F601-F610 AromaticContact CZ-CE2 3.77Å; F601-F610 HydrophobicContact CZ-CE2 3.77Å; F601-F610 HydrophobicContact CZ-CZ 4.38Å
602E98.4Very high98Very high14 Ų1424.6 Ų24.67%0.06514%0.138CC..EExtended strand (participates in β ladder)trans-112.1134.6174-72.7173.794.400110.9G587 F588 V606 L607 V625 A626 R664G587-E602 CarbonylContact C-O 3.59Å; G587-E602 VanDerWaalsContact CA-O 3.25Å; G587-E602 WeakPolarHBondContact CA-O 3.49Å; F588-E602 PolarHBondContact N-O 3.4Å; F588-E602 PolarHBondContact O-N 2.95Å; E602-V606 CarbonylContact C-O 3.5Å; E602-V606 VanDerWaalsContact CA-O 3.26Å; E602-V606 WeakPolarHBondContact CA-O 3.25Å; E602-L607 HydrophobicContact CG-CB 4.24Å; E602-L607 HydrophobicContact CG-CD1 3.95Å; E602-V625 WeakPolarHBondContact OE2-CA 3.46Å; E602-A626 PolarHBondContact OE1-N 2.7Å; E602-A626 PolarHBondContact OE2-N 2.88Å; E602-A626 VanDerWaalsContact OE2-N 3.14Å; E602-R664 VanDerWaalsContact CD-NH2 3.31Å; E602-R664 IonicContact OE1-NH2 3.95Å; E602-R664 IonicContact OE2-CZ 3.84Å; E602-R664 IonicContact OE2-NE 2.56Å; E602-R664 PolarHBondContact OE2-NE 3.16Å; E602-R664 IonicContact OE2-NH2 3.99Å; E602-R664 PolarHBondContact OE2-NH2 3.04Å
603R97.9Very high98.1Very high5 Ų520.5 Ų20.52%0.01912%0.12CC..EExtended strand (participates in β ladder)trans-149.2135.7172-163.4179.4-173.9-168.3-7.8110.4A514 G517 E518 W581 L582 G585 G605 V606 F608A514-R603 WeakPolarHBondContact O-CD 3.38Å; A514-R603 PolarHBondContact O-NH1 3.49Å; G517-R603 PolarHBondContact O-NH1 2.97Å; G517-R603 PolarHBondContact O-NH2 3.15Å; E518-R603 IonicContact OE1-NH2 3.93Å; W581-R603 HydrophobicContact CB-CB 4.32Å; W581-R603 HydrophobicContact CB-CG 4.16Å; W581-R603 WeakPolarHBondContact O-CD 3.46Å; W581-R603 PolarHBondContact O-NE 3.43Å; W581-R603 VanDerWaalsContact O-NE 3.08Å; L582-R603 PolarHBondContact O-NH2 3.24Å; G585-R603 PolarHBondContact O-NE 3Å; G585-R603 PolarHBondContact O-NH2 3.18Å; R603-G605 PolarHBondContact O-N 3.46Å; R603-V606 PolarHBondContact N-O 3.42Å; R603-V606 PolarHBondContact O-N 2.87Å; R603-F608 HydrophobicContact CB-CE2 4.3Å
604G95.4Very high98Very high29 Ų2919.4 Ų19.430%0.29912%0.118SC..THydrogen-bonded Turntrans58.229-178.100000114.3S584 V606S584-G604 VanDerWaalsContact CB-CA 3.44Å; S584-G604 WeakPolarHBondContact OG-CA 3.29Å; G604-V606 PolarHBondContact O-N 2.92Å
605G95.1Very high97.9Very high46 Ų4620 Ų2047%0.47413%0.13SC..THydrogen-bonded Turntrans76.11.1-175.600000115.1R603 P682R603-G605 PolarHBondContact O-N 3.46Å; G605-P682 WeakPolarHBondContact O-CD 3.49Å
606V98.2Very high98Very high0 Ų019.4 Ų19.40%012%0.122CC..EExtended strand (participates in β ladder)trans-97132.9175.3-176.60000109.4Y579 W581 E602 R603 G604 F608 V634 A679 L680Y579-V606 HydrophobicContact CD1-CG2 3.85Å; Y579-V606 HydrophobicContact CD2-CG2 4.41Å; Y579-V606 HydrophobicContact CG-CG2 3.7Å; W581-V606 HydrophobicContact CE3-CG2 4.1Å; W581-V606 HydrophobicContact CZ3-CG2 4.47Å; E602-V606 CarbonylContact C-O 3.5Å; E602-V606 VanDerWaalsContact CA-O 3.26Å; E602-V606 WeakPolarHBondContact CA-O 3.25Å; R603-V606 PolarHBondContact N-O 3.42Å; R603-V606 PolarHBondContact O-N 2.87Å; G604-V606 PolarHBondContact O-N 2.92Å; V606-F608 HydrophobicContact CB-CD2 4.46Å; V606-F608 HydrophobicContact CB-CE2 3.71Å; V606-F608 HydrophobicContact CB-CZ 3.97Å; V606-F608 HydrophobicContact CG1-CD2 4.2Å; V606-F608 HydrophobicContact CG1-CE1 4.14Å; V606-F608 HydrophobicContact CG1-CE2 3.68Å; V606-F608 HydrophobicContact CG1-CZ 3.65Å; V606-V634 HydrophobicContact CG1-CG2 4.23Å; V606-A679 HydrophobicContact CG1-CB 3.83Å; V606-L680 CarbonylContact C-O 3.6Å; V606-L680 WeakPolarHBondContact CA-O 3.47Å; V606-L680 WeakPolarHBondContact CG1-O 3.31Å
607L98.5Very high98Very high0 Ų020.1 Ų20.10%013%0.129CC..EExtended strand (participates in β ladder)trans-89.5127.5169.3169.968.7000109.2E602 V609 V623 V625 Y631 L668 A679 L680E602-L607 HydrophobicContact CG-CB 4.24Å; E602-L607 HydrophobicContact CG-CD1 3.95Å; L607-V609 HydrophobicContact CD1-CG2 4.33Å; L607-V609 HydrophobicContact CD2-CG2 4.08Å; L607-V609 HydrophobicContact CG-CG2 4Å; L607-V623 HydrophobicContact CD1-CG1 3.67Å; L607-V623 HydrophobicContact CD2-CB 4.5Å; L607-V623 HydrophobicContact CD2-CG1 3.9Å; L607-V623 HydrophobicContact CG-CG1 4.36Å; L607-V625 HydrophobicContact CB-CG1 4.41Å; L607-V625 HydrophobicContact CD1-CG1 4.23Å; L607-V625 HydrophobicContact CD2-CG1 3.66Å; L607-V625 HydrophobicContact CG-CG1 4.3Å; L607-Y631 HydrophobicContact CB-CE1 4.36Å; L607-L668 HydrophobicContact CD2-CD1 4.11Å; L607-L668 HydrophobicContact CD2-CD2 4.08Å; L607-L668 HydrophobicContact CD2-CG 4.38Å; L607-A679 CarbonylContact O-C 3.54Å; L607-A679 VanDerWaalsContact O-CA 3.29Å; L607-A679 WeakPolarHBondContact O-CA 3.34Å; L607-L680 HydrophobicContact CB-CB 4.29Å; L607-L680 HydrophobicContact CD2-CD1 3.88Å; L607-L680 PolarHBondContact N-O 2.77Å; L607-L680 PolarHBondContact O-N 3.05Å
608F98.8Very high98Very high0 Ų020.2 Ų20.20%013%0.13CC..EExtended strand (participates in β ladder)trans-110137.7173.1-59-96.9000110.1L510 A514 W581 A600 F601 R603 V606 F610 I678 A679L510-F608 HydrophobicContact CD1-CE1 4.3Å; L510-F608 HydrophobicContact CD2-CD1 4.33Å; A514-F608 HydrophobicContact CB-CD1 3.94Å; A514-F608 HydrophobicContact CB-CD2 4.48Å; A514-F608 HydrophobicContact CB-CE1 3.6Å; A514-F608 HydrophobicContact CB-CE2 4.18Å; A514-F608 HydrophobicContact CB-CG 4.37Å; A514-F608 HydrophobicContact CB-CZ 3.73Å; W581-F608 AromaticContact CD2-CZ 3.79Å; W581-F608 HydrophobicContact CD2-CZ 3.79Å; W581-F608 AromaticContact CE3-CZ 3.76Å; W581-F608 HydrophobicContact CE3-CZ 3.76Å; W581-F608 HydrophobicContact CG-CZ 4.2Å; W581-F608 HydrophobicContact CH2-CZ 4.47Å; W581-F608 HydrophobicContact CZ3-CE1 4.5Å; W581-F608 HydrophobicContact CZ3-CZ 4.12Å; A600-F608 WeakPolarHBondContact CA-O 3.36Å; F601-F608 HydrophobicContact CD1-CB 4.27Å; F601-F608 HydrophobicContact CD2-CB 4.15Å; F601-F608 AromaticContact CD2-CD2 3.75Å; F601-F608 HydrophobicContact CD2-CD2 3.75Å; F601-F608 HydrophobicContact CD2-CG 4.24Å; F601-F608 HydrophobicContact CE1-CB 3.92Å; F601-F608 HydrophobicContact CE2-CB 3.78Å; F601-F608 HydrophobicContact CE2-CD1 4.46Å; F601-F608 AromaticContact CE2-CD2 3.32Å; F601-F608 HydrophobicContact CE2-CD2 3.32Å; F601-F608 HydrophobicContact CE2-CE2 4Å; F601-F608 AromaticContact CE2-CG 3.61Å; F601-F608 HydrophobicContact CE2-CG 3.61Å; F601-F608 HydrophobicContact CG-CB 4.38Å; F601-F608 HydrophobicContact CZ-CB 3.65Å; F601-F608 HydrophobicContact CZ-CD1 4.41Å; F601-F608 HydrophobicContact CZ-CD2 4Å; F601-F608 AromaticContact CZ-CG 3.77Å; F601-F608 HydrophobicContact CZ-CG 3.77Å; F601-F608 PolarHBondContact N-O 2.88Å; F601-F608 PolarHBondContact O-N 3.49Å; R603-F608 HydrophobicContact CB-CE2 4.3Å; V606-F608 HydrophobicContact CB-CD2 4.46Å; V606-F608 HydrophobicContact CB-CE2 3.71Å; V606-F608 HydrophobicContact CB-CZ 3.97Å; V606-F608 HydrophobicContact CG1-CD2 4.2Å; V606-F608 HydrophobicContact CG1-CE1 4.14Å; V606-F608 HydrophobicContact CG1-CE2 3.68Å; V606-F608 HydrophobicContact CG1-CZ 3.65Å; F608-F610 HydrophobicContact CB-CD2 4.42Å; F608-F610 HydrophobicContact CB-CE2 3.71Å; F608-I678 WeakPolarHBondContact CA-O 3.46Å; F608-A679 HydrophobicContact CD1-CB 3.77Å; F608-A679 HydrophobicContact CE1-CB 3.83Å
609V98.8Very high97.9Very high0 Ų024.4 Ų24.40%016%0.157CC..EExtended strand (participates in β ladder)trans-134.6126.4177.6-170.30000109.1V598 I599 A600 L607 V623 V672 C677 I678V598-V609 HydrophobicContact CG1-CG1 4.22Å; I599-V609 WeakPolarHBondContact O-CA 3.43Å; A600-V609 HydrophobicContact CB-CG2 4.35Å; L607-V609 HydrophobicContact CD1-CG2 4.33Å; L607-V609 HydrophobicContact CD2-CG2 4.08Å; L607-V609 HydrophobicContact CG-CG2 4Å; V609-V623 HydrophobicContact CG1-CG2 4.42Å; V609-V623 HydrophobicContact CG2-CG1 4.28Å; V609-V623 HydrophobicContact CG2-CG2 4.25Å; V609-V672 HydrophobicContact CG1-CG1 4.05Å; V609-V672 HydrophobicContact CG1-CG2 3.89Å; V609-C677 CarbonylContact O-C 3.39Å; V609-C677 VanDerWaalsContact O-CA 3.29Å; V609-C677 WeakPolarHBondContact O-CA 3.33Å; V609-I678 HydrophobicContact CB-CD1 4.31Å; V609-I678 HydrophobicContact CB-CG1 3.83Å; V609-I678 HydrophobicContact CG2-CG1 4.38Å; V609-I678 PolarHBondContact N-O 2.91Å; V609-I678 PolarHBondContact O-N 3.32Å
610F98.9Very high97.7Very high0 Ų030 Ų300%019%0.187CC..EExtended strand (participates in β ladder)trans-123.1126.5-179.1-63.7-103.9000109.2M507 L510 I511 V598 I599 F601 F608 F612 C677M507-F610 HydrophobicContact CB-CD1 4.4Å; M507-F610 HydrophobicContact CE-CB 4.2Å; M507-F610 HydrophobicContact CE-CD1 4.33Å; M507-F610 WeakPolarHBondContact O-CE1 3.44Å; L510-F610 HydrophobicContact CB-CE1 4.08Å; L510-F610 HydrophobicContact CB-CZ 4.2Å; L510-F610 HydrophobicContact CD2-CE1 4.16Å; L510-F610 HydrophobicContact CD2-CZ 3.91Å; L510-F610 HydrophobicContact CG-CE1 4.2Å; L510-F610 HydrophobicContact CG-CZ 3.86Å; I511-F610 HydrophobicContact CB-CD1 4.16Å; I511-F610 HydrophobicContact CB-CE1 3.59Å; I511-F610 HydrophobicContact CB-CE2 4.26Å; I511-F610 HydrophobicContact CB-CZ 3.65Å; I511-F610 HydrophobicContact CG1-CE1 4.43Å; I511-F610 HydrophobicContact CG1-CE2 4.31Å; I511-F610 HydrophobicContact CG1-CZ 4.19Å; V598-F610 CarbonylContact C-O 3.59Å; V598-F610 VanDerWaalsContact CA-O 3.23Å; V598-F610 WeakPolarHBondContact CA-O 3.49Å; I599-F610 HydrophobicContact CB-CB 4.35Å; I599-F610 PolarHBondContact N-O 3.36Å; I599-F610 PolarHBondContact O-N 3.1Å; F601-F610 HydrophobicContact CD1-CE2 4.4Å; F601-F610 AromaticContact CE1-CD2 3.99Å; F601-F610 HydrophobicContact CE1-CD2 3.99Å; F601-F610 AromaticContact CE1-CE2 3.4Å; F601-F610 HydrophobicContact CE1-CE2 3.4Å; F601-F610 HydrophobicContact CE1-CZ 4.31Å; F601-F610 AromaticContact CZ-CE2 3.77Å; F601-F610 HydrophobicContact CZ-CE2 3.77Å; F601-F610 HydrophobicContact CZ-CZ 4.38Å; F608-F610 HydrophobicContact CB-CD2 4.42Å; F608-F610 HydrophobicContact CB-CE2 3.71Å; F610-F612 HydrophobicContact CB-CD2 3.98Å; F610-F612 HydrophobicContact CB-CE2 3.66Å; F610-F612 HydrophobicContact CD1-CE2 4.07Å; F610-F612 HydrophobicContact CD1-CZ 4.27Å; F610-F612 HydrophobicContact CG-CE2 4.14Å; F610-C677 HydrophobicContact CD1-CB 3.25Å; F610-C677 HydrophobicContact CE1-CB 3.4Å; F610-C677 VanDerWaalsContact CE1-CB 3.4Å; F610-C677 HydrophobicContact CG-CB 3.9Å; F610-C677 HydrophobicContact CZ-CB 4.2Å
611N98.8Very high97.7Very high0 Ų030.8 Ų30.80%019%0.19CC..EExtended strand (participates in β ladder)trans-109.299.7168.8176.9-0.4000109.5M507 V598 H613 K616 V672 P673 S674 R675 V676M507-N611 VanDerWaalsContact CE-O 3.31Å; M507-N611 WeakPolarHBondContact CE-O 3.4Å; V598-N611 HydrophobicContact CG2-CB 4.29Å; N611-H613 VanDerWaalsContact C-N 3.27Å; N611-H613 WeakPolarHBondContact OD1-CA 3.43Å; N611-H613 WeakPolarHBondContact OD1-CB 3.23Å; N611-H613 PolarHBondContact OD1-N 3.1Å; N611-K616 PolarHBondContact ND2-O 3.45Å; N611-V672 HydrophobicContact CB-CB 4.32Å; N611-V672 HydrophobicContact CB-CG1 3.47Å; N611-V672 VanDerWaalsContact CB-CG1 3.47Å; N611-V672 PolarHBondContact ND2-O 3.26Å; N611-P673 WeakPolarHBondContact CB-O 3.32Å; N611-P673 VanDerWaalsContact ND2-C 3.3Å; N611-P673 PolarHBondContact ND2-O 3.22Å; N611-S674 PolarHBondContact ND2-N 3.01Å; N611-R675 WeakPolarHBondContact O-CA 3.24Å; N611-R675 PolarHBondContact O-N 3.42Å; N611-V676 PolarHBondContact N-O 3.45Å; N611-V676 PolarHBondContact O-N 3.49Å
612F98.7Very high97.7Very high7 Ų734.5 Ų34.53%0.03121%0.206CC..  trans-82.71.2175.6-76.1-83.5000113.2W440 M442 L504 M507 I511 K597 I599 F610 C614W440-F612 HydrophobicContact CE3-CD1 4.21Å; W440-F612 HydrophobicContact CZ3-CD1 4.05Å; W440-F612 HydrophobicContact CZ3-CE1 4.12Å; M442-F612 HydrophobicContact CE-CB 4.16Å; M442-F612 HydrophobicContact CE-CG 4.46Å; M442-F612 HydrophobicContact SD-CB 4Å; M442-F612 HydrophobicContact SD-CD2 3.89Å; M442-F612 HydrophobicContact SD-CG 4.25Å; L504-F612 HydrophobicContact CD2-CD1 3.91Å; L504-F612 HydrophobicContact CD2-CE1 4.2Å; M507-F612 HydrophobicContact CB-CE1 4.04Å; M507-F612 HydrophobicContact CB-CZ 4.15Å; M507-F612 HydrophobicContact CE-CB 4.45Å; M507-F612 HydrophobicContact CE-CD1 3.63Å; M507-F612 HydrophobicContact CE-CD2 3.86Å; M507-F612 HydrophobicContact CE-CE1 3.71Å; M507-F612 HydrophobicContact CE-CE2 3.94Å; M507-F612 HydrophobicContact CE-CG 3.71Å; M507-F612 HydrophobicContact CE-CZ 3.86Å; M507-F612 HydrophobicContact SD-CE1 4.48Å; I511-F612 HydrophobicContact CD1-CE2 4.21Å; I511-F612 HydrophobicContact CG2-CZ 4.46Å; K597-F612 HydrophobicContact CB-CB 4.12Å; K597-F612 PolarHBondContact O-N 2.92Å; I599-F612 HydrophobicContact CD1-CD2 4.29Å; I599-F612 HydrophobicContact CD1-CE2 4.11Å; F610-F612 HydrophobicContact CB-CD2 3.98Å; F610-F612 HydrophobicContact CB-CE2 3.66Å; F610-F612 HydrophobicContact CD1-CE2 4.07Å; F610-F612 HydrophobicContact CD1-CZ 4.27Å; F610-F612 HydrophobicContact CG-CE2 4.14Å; F612-C614 PolarHBondContact O-N 3.4Å
613H98.5Very high97.6Very high21 Ų2133.9 Ų33.910%0.09720%0.203CC..  trans-62.5135.9179-159-56.5000110.1D596 K597 N611 S615 K616 S674D596-H613 WeakPolarHBondContact O-CB 3.48Å; K597-H613 HydrophobicContact CB-CB 4.1Å; N611-H613 VanDerWaalsContact C-N 3.27Å; N611-H613 WeakPolarHBondContact OD1-CA 3.43Å; N611-H613 WeakPolarHBondContact OD1-CB 3.23Å; N611-H613 PolarHBondContact OD1-N 3.1Å; H613-S615 PolarHBondContact CE1-OG 2.88Å; H613-S615 PolarHBondContact ND1-N 3.37Å; H613-S615 VanDerWaalsContact ND1-N 3.2Å; H613-S615 PolarHBondContact O-N 3.43Å; H613-K616 HydrophobicContact CB-CB 4.42Å; H613-K616 PolarHBondContact ND1-N 3.21Å; H613-K616 WeakPolarHBondContact NE2-CD 3.49Å; H613-K616 VanDerWaalsContact NE2-CE 3.34Å; H613-K616 WeakPolarHBondContact NE2-CE 3.39Å; H613-K616 WeakPolarHBondContact NE2-CG 3.42Å; H613-S674 PolarHBondContact O-OG 2.83Å
614C96.5Very high97.6Very high32 Ų3233.7 Ų33.722%0.21620%0.203CC..SBendtrans-69.9-8-17859.40000115.5D437 E438 F612 S674D437-C614 HydrophobicContact CB-CB 4.45Å; E438-C614 PolarHBondContact OE1-SG 3.2Å; F612-C614 PolarHBondContact O-N 3.4Å; C614-S674 VanDerWaalsContact C-OG 3.28Å
615S96.2Very high97.7Very high82 Ų8232.3 Ų32.357%0.57319%0.189SC*.SBendtrans-160.6-33.7-172.757.70000115.4H613 S674H613-S615 PolarHBondContact CE1-OG 2.88Å; H613-S615 PolarHBondContact ND1-N 3.37Å; H613-S615 VanDerWaalsContact ND1-N 3.2Å; H613-S615 PolarHBondContact O-N 3.43Å; S615-S674 WeakPolarHBondContact CA-OG 3.41Å; S615-S674 PolarHBondContact N-OG 2.96Å; S615-S674 VanDerWaalsContact N-OG 3.08Å
616K98Very high97.8Very high108 Ų10831.9 Ų31.947%0.4718%0.181SC..  trans-76.9135.7-178.2-67.1-177.4-162.5161.60112N611 H613 F618 S674N611-K616 PolarHBondContact ND2-O 3.45Å; H613-K616 HydrophobicContact CB-CB 4.42Å; H613-K616 PolarHBondContact ND1-N 3.21Å; H613-K616 WeakPolarHBondContact NE2-CD 3.49Å; H613-K616 VanDerWaalsContact NE2-CE 3.34Å; H613-K616 WeakPolarHBondContact NE2-CE 3.39Å; H613-K616 WeakPolarHBondContact NE2-CG 3.42Å; K616-F618 HydrophobicContact CB-CE1 4.44Å; K616-F618 HydrophobicContact CB-CE2 4.22Å; K616-F618 HydrophobicContact CB-CZ 3.91Å; K616-F618 HydrophobicContact CD-CZ 4.35Å; K616-S674 WeakPolarHBondContact O-CA 3.36Å; K616-S674 WeakPolarHBondContact O-CB 3.23Å
617S98.3Very high97.7Very high51 Ų5137.5 Ų37.536%0.35720%0.202SC..  trans-115.3143.1171.2-59.50000108.6S674S617-S674 PolarHBondContact OG-N 2.88Å; S617-S674 VanDerWaalsContact OG-N 3.11Å
618F98.2Very high97.6Very high30 Ų3040.9 Ų40.913%0.13222%0.224CC..EExtended strand (participates in β ladder)trans-120.6111-173.4-57.5-82.6000111.1D596 V598 K616 Y621 Y671 V672D596-F618 HydrophobicContact CB-CE1 4.22Å; D596-F618 HydrophobicContact CB-CE2 4.11Å; D596-F618 HydrophobicContact CB-CZ 3.6Å; V598-F618 HydrophobicContact CG2-CD2 4.25Å; V598-F618 HydrophobicContact CG2-CE2 4.01Å; K616-F618 HydrophobicContact CB-CE1 4.44Å; K616-F618 HydrophobicContact CB-CE2 4.22Å; K616-F618 HydrophobicContact CB-CZ 3.91Å; K616-F618 HydrophobicContact CD-CZ 4.35Å; F618-Y621 HydrophobicContact CB-CD2 3.54Å; F618-Y621 HydrophobicContact CB-CE2 4.46Å; F618-Y621 HydrophobicContact CB-CG 4.15Å; F618-Y621 AromaticContact CD1-CD2 3.87Å; F618-Y621 HydrophobicContact CD1-CD2 3.87Å; F618-Y621 HydrophobicContact CD1-CE2 4.05Å; F618-Y621 HydrophobicContact CD2-CD2 4.08Å; F618-Y621 HydrophobicContact CD2-CE2 4.29Å; F618-Y621 HydrophobicContact CE1-CE2 4.34Å; F618-Y621 AromaticContact CG-CD2 3.57Å; F618-Y621 HydrophobicContact CG-CD2 3.57Å; F618-Y621 HydrophobicContact CG-CE2 4.02Å; F618-Y671 CarbonylContact O-C 3.58Å; F618-Y671 WeakPolarHBondContact O-CA 3.22Å; F618-Y671 WeakPolarHBondContact O-CD2 3.48Å; F618-V672 PolarHBondContact N-O 2.83Å; F618-V672 PolarHBondContact O-N 2.97Å
619P96.3Very high97.5Very high88 Ų8842.6 Ų42.657%0.57124%0.241SC*.EExtended strand (participates in β ladder)trans-69.4-41.5-17325.6-33.1000114.1V670 Y671P619-V670 CarbonylContact O-C 3.22Å; P619-Y671 VanDerWaalsContact O-CA 3.25Å; P619-Y671 WeakPolarHBondContact O-CA 3.29Å; P619-Y671 PolarHBondContact O-N 2.73Å
620D95.8Very high97.4Very high117 Ų11746.5 Ų46.563%0.62626%0.259SS*.EExtended strand (participates in β ladder)trans-125.852.1-174.3-64.4-54.4000110.5K622 L669D620-K622 PolarHBondContact O-N 3.06Å; D620-L669 HydrophobicContact CB-CD1 4.38Å
621Y97.8Very high97.3Very high17 Ų1746.6 Ų46.67%0.06726%0.259CS..EExtended strand (participates in β ladder)trans-70.4123.5-178.2-152.8-95.2000110.1W591 D596 V598 F618 V623 L669 V670W591-Y621 AromaticContact CD1-CE1 3.77Å; W591-Y621 AromaticContact NE1-CE1 3.49Å; W591-Y621 AromaticContact NE1-CZ 3.6Å; W591-Y621 PolarHBondContact NE1-OH 3.31Å; D596-Y621 HydrophobicContact CB-CE2 4.17Å; D596-Y621 WeakPolarHBondContact OD2-CE2 3.42Å; D596-Y621 PolarHBondContact OD2-OH 3Å; V598-Y621 HydrophobicContact CB-CE1 3.96Å; V598-Y621 HydrophobicContact CG1-CD1 4.12Å; V598-Y621 HydrophobicContact CG1-CE1 3.59Å; V598-Y621 HydrophobicContact CG2-CE1 4.2Å; V598-Y621 HydrophobicContact CG2-CE2 4.14Å; F618-Y621 HydrophobicContact CB-CD2 3.54Å; F618-Y621 HydrophobicContact CB-CE2 4.46Å; F618-Y621 HydrophobicContact CB-CG 4.15Å; F618-Y621 AromaticContact CD1-CD2 3.87Å; F618-Y621 HydrophobicContact CD1-CD2 3.87Å; F618-Y621 HydrophobicContact CD1-CE2 4.05Å; F618-Y621 HydrophobicContact CD2-CD2 4.08Å; F618-Y621 HydrophobicContact CD2-CE2 4.29Å; F618-Y621 HydrophobicContact CE1-CE2 4.34Å; F618-Y621 AromaticContact CG-CD2 3.57Å; F618-Y621 HydrophobicContact CG-CD2 3.57Å; F618-Y621 HydrophobicContact CG-CE2 4.02Å; Y621-V623 HydrophobicContact CD1-CG2 4.04Å; Y621-L669 WeakPolarHBondContact O-CA 3.4Å; Y621-V670 WeakPolarHBondContact CB-O 3.4Å; Y621-V670 PolarHBondContact N-O 2.88Å; Y621-V670 WeakPolarHBondContact O-CG2 3.48Å; Y621-V670 PolarHBondContact O-N 3.22Å
622K97.8Very high97.2Very high77 Ų7748.2 Ų48.234%0.33527%0.266SS..EExtended strand (participates in β ladder)trans-80.8128-178.9-173.3174-69.8-163.60110.4D620 Y661 H667 L669D620-K622 PolarHBondContact O-N 3.06Å; K622-Y661 HydrophobicContact CB-CE1 4.1Å; K622-Y661 HydrophobicContact CD-CD1 4.08Å; K622-Y661 HydrophobicContact CD-CD2 3.54Å; K622-Y661 HydrophobicContact CD-CE1 4.2Å; K622-Y661 HydrophobicContact CD-CE2 3.68Å; K622-Y661 HydrophobicContact CD-CG 3.74Å; K622-Y661 HydrophobicContact CG-CD1 3.8Å; K622-Y661 HydrophobicContact CG-CD2 4.18Å; K622-Y661 HydrophobicContact CG-CE1 3.79Å; K622-Y661 HydrophobicContact CG-CE2 4.18Å; K622-Y661 HydrophobicContact CG-CG 3.98Å; K622-Y661 VanDerWaalsContact O-CE1 3.3Å; K622-Y661 WeakPolarHBondContact O-CE1 3.29Å; K622-H667 HydrophobicContact CD-CB 4.34Å; K622-H667 VanDerWaalsContact CE-CD2 3.48Å; K622-H667 WeakPolarHBondContact CE-CD2 3.47Å; K622-H667 VanDerWaalsContact CE-NE2 3.34Å; K622-H667 WeakPolarHBondContact CE-NE2 3.31Å; K622-H667 HydrophobicContact CG-CB 4.01Å; K622-H667 PolarHBondContact NZ-NE2 3.06Å; K622-L669 HydrophobicContact CB-CD2 3.96Å; K622-L669 HydrophobicContact CG-CD2 4.29Å
623V97.9Very high97.1Very high1 Ų149.1 Ų49.11%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-132.1132179.8-176.60000110.2A600 L607 V609 Y621 H667 L668 V670A600-V623 HydrophobicContact CB-CG1 3.65Å; L607-V623 HydrophobicContact CD1-CG1 3.67Å; L607-V623 HydrophobicContact CD2-CB 4.5Å; L607-V623 HydrophobicContact CD2-CG1 3.9Å; L607-V623 HydrophobicContact CG-CG1 4.36Å; V609-V623 HydrophobicContact CG1-CG2 4.42Å; V609-V623 HydrophobicContact CG2-CG1 4.28Å; V609-V623 HydrophobicContact CG2-CG2 4.25Å; Y621-V623 HydrophobicContact CD1-CG2 4.04Å; V623-H667 CarbonylContact O-C 3.59Å; V623-H667 WeakPolarHBondContact O-CA 3.45Å; V623-H667 VanDerWaalsContact O-CB 3.32Å; V623-H667 WeakPolarHBondContact O-CB 3.38Å; V623-L668 HydrophobicContact CB-CD1 4.44Å; V623-L668 PolarHBondContact N-O 2.92Å; V623-L668 PolarHBondContact O-N 2.91Å; V623-V670 HydrophobicContact CG2-CG2 3.61Å
624G97.7Very high97.1Very high1 Ų149.6 Ų49.61%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-78.5140.6179.200000112.2H666G624-H666 CarbonylContact C-O 3.41Å; G624-H666 WeakPolarHBondContact CA-O 3.35Å
625V98Very high97.1Very high0 Ų048.5 Ų48.50%027%0.267CS..EExtended strand (participates in β ladder)trans-138.5149.9178.4-65.10000112.7E602 L607 Y631 T656 H666 L668E602-V625 WeakPolarHBondContact OE2-CA 3.46Å; L607-V625 HydrophobicContact CB-CG1 4.41Å; L607-V625 HydrophobicContact CD1-CG1 4.23Å; L607-V625 HydrophobicContact CD2-CG1 3.66Å; L607-V625 HydrophobicContact CG-CG1 4.3Å; V625-Y631 HydrophobicContact CG1-CE1 4.49Å; V625-Y631 HydrophobicContact CG2-CE2 4.33Å; V625-T656 HydrophobicContact CG2-CG2 3.74Å; V625-H666 HydrophobicContact CG2-CB 3.94Å; V625-H666 PolarHBondContact N-O 2.97Å; V625-H666 PolarHBondContact O-N 3.02Å; V625-H666 VanDerWaalsContact O-N 3.17Å; V625-L668 HydrophobicContact CG1-CD2 3.84Å; V625-L668 HydrophobicContact CG1-CG 4.2Å; V625-L668 HydrophobicContact CG2-CD2 4.33Å
626A96.5Very high97.2Very high37 Ų3745.2 Ų45.231%0.30624%0.243SC..SBendtrans-74.4-53.3177.200000113.2E602 P665 H666E602-A626 PolarHBondContact OE1-N 2.7Å; E602-A626 PolarHBondContact OE2-N 2.88Å; E602-A626 VanDerWaalsContact OE2-N 3.14Å; A626-P665 WeakPolarHBondContact O-CG 3.35Å; A626-H666 PolarHBondContact O-ND1 3.18Å
627R95.8Very high97.3Very high119 Ų11940.1 Ų40.145%0.44922%0.221SC..SBendtrans-87.6130.1-170.2-173.4179.9171-172.6-4.2109.4Y631 D684R627-Y631 WeakPolarHBondContact O-CE2 3.44Å; R627-Y631 PolarHBondContact O-OH 3Å; R627-D684 IonicContact NH1-OD1 3.66Å
628P96.5Very high97.3Very high70 Ų7038 Ų3846%0.45521%0.206SC..  trans-72.1158.5168.829.4-31.2000110.7T656P628-T656 WeakPolarHBondContact CA-OG1 3.46Å
629G95.8Very high97.3Very high36 Ų3636.9 Ų36.937%0.37120%0.202SC..SBendtrans142.6-148.1170.100000113T656G629-T656 PolarHBondContact N-OG1 2.87Å; G629-T656 PolarHBondContact O-N 2.82Å; G629-T656 PolarHBondContact O-OG1 2.93Å
630K97Very high97.3Very high83 Ų8336 Ų3636%0.36120%0.199SC..EExtended strand (participates in β ladder)trans-108133.6172.3-50.1-176.3-171.6156.70108.5L655 P682 E683 E688K630-L655 HydrophobicContact CB-CD2 4.39Å; K630-L655 HydrophobicContact CD-CD2 4.3Å; K630-L655 HydrophobicContact CG-CD2 3.69Å; K630-P682 WeakPolarHBondContact O-CA 3.49Å; K630-E683 HydrophobicContact CB-CB 4.38Å; K630-E683 PolarHBondContact O-N 2.98Å; K630-E688 IonicContact NZ-OE1 2.85Å; K630-E688 PolarHBondContact NZ-OE1 2.82Å; K630-E688 IonicContact NZ-OE2 3.59Å; K630-E688 PolarHBondContact NZ-OE2 2.84Å
631Y97.6Very high97.4Very high2 Ų235.2 Ų35.21%0.00819%0.191CC..EExtended strand (participates in β ladder)trans-108.7136.7174.5-79.3-112.4000110.1L607 V625 R627 H654 T656 L668 L680 A681 P682L607-Y631 HydrophobicContact CB-CE1 4.36Å; V625-Y631 HydrophobicContact CG1-CE1 4.49Å; V625-Y631 HydrophobicContact CG2-CE2 4.33Å; R627-Y631 WeakPolarHBondContact O-CE2 3.44Å; R627-Y631 PolarHBondContact O-OH 3Å; Y631-H654 PolarHBondContact N-O 3.34Å; Y631-H654 PolarHBondContact O-N 3.38Å; Y631-T656 HydrophobicContact CD2-CG2 3.87Å; Y631-T656 HydrophobicContact CE2-CG2 3.68Å; Y631-L668 HydrophobicContact CD1-CD2 4.32Å; Y631-L668 HydrophobicContact CD2-CD2 3.86Å; Y631-L668 HydrophobicContact CE2-CD2 4.35Å; Y631-L668 HydrophobicContact CG-CD2 3.85Å; Y631-L680 HydrophobicContact CD1-CB 4.07Å; Y631-A681 CarbonylContact C-O 3.46Å; Y631-A681 WeakPolarHBondContact CA-O 3.28Å; Y631-P682 HydrophobicContact CD1-CG 4.41Å; Y631-P682 HydrophobicContact CE1-CG 3.81Å; Y631-P682 HydrophobicContact CE2-CG 4.39Å
632K97Very high97.4Very high33 Ų3335.1 Ų35.114%0.14319%0.191CC..EExtended strand (participates in β ladder)trans-111.1150.1175.165.9-178.5175.5-172.60111V634 L680 A681 E683 E687K632-V634 HydrophobicContact CG-CG1 4.4Å; K632-L680 CarbonylContact O-C 3.28Å; K632-L680 VanDerWaalsContact O-CA 3.27Å; K632-L680 WeakPolarHBondContact O-CA 3.24Å; K632-A681 PolarHBondContact N-O 3.35Å; K632-A681 PolarHBondContact O-N 3.1Å; K632-E683 HydrophobicContact CD-CG 4.46Å; K632-E687 IonicContact NZ-OE2 2.79Å; K632-E687 PolarHBondContact NZ-OE2 3.3Å
633L96.7Very high97.4Very high26 Ų2632.3 Ų32.314%0.13618%0.184CC..EExtended strand (participates in β ladder)trans-70.3126.9176.7-163.564.4000109.9L635 N636 L648 I678 L680L633-L635 WeakPolarHBondContact CD1-O 3.49Å; L633-N636 HydrophobicContact CD1-CB 4.38Å; L633-N636 HydrophobicContact CD2-CB 3.62Å; L633-N636 HydrophobicContact CG-CB 4.04Å; L633-L648 HydrophobicContact CD2-CB 4.43Å; L633-I678 HydrophobicContact CD1-CB 3.82Å; L633-I678 HydrophobicContact CD1-CG2 3.99Å; L633-L680 HydrophobicContact CB-CD2 4.42Å; L633-L680 HydrophobicContact CD1-CD2 4.08Å; L633-L680 HydrophobicContact CD1-CG 4.5Å
634V96.9Very high97.4Very high32 Ų3233.3 Ų33.319%0.19420%0.195CC..EExtended strand (participates in β ladder)trans-116.7-27.5179.3-55.60000112.7Y579 V606 K632 A679 A681Y579-V634 HydrophobicContact CE2-CB 3.82Å; Y579-V634 HydrophobicContact CE2-CG1 3.86Å; Y579-V634 HydrophobicContact CE2-CG2 4.09Å; Y579-V634 WeakPolarHBondContact OH-CG1 3.35Å; V606-V634 HydrophobicContact CG1-CG2 4.23Å; K632-V634 HydrophobicContact CG-CG1 4.4Å; V634-A679 HydrophobicContact CG2-CB 3.72Å; V634-A679 WeakPolarHBondContact CG2-O 3.27Å; V634-A679 PolarHBondContact N-O 2.79Å; V634-A681 HydrophobicContact CG1-CB 3.6Å; V634-A681 HydrophobicContact CG2-CB 4.47Å
635L98.1Very high97.3Very high8 Ų838.1 Ų38.14%0.04222%0.217CC..EExtended strand (participates in β ladder)trans-135.7138.7165.7-67171.9000109.3L510 W568 A571 A575 W581 L633 I678 A679L510-L635 HydrophobicContact CD1-CD1 3.86Å; L510-L635 HydrophobicContact CD2-CD1 4.38Å; W568-L635 HydrophobicContact CH2-CB 4.03Å; W568-L635 HydrophobicContact CZ3-CB 4.28Å; W568-L635 HydrophobicContact CZ3-CD2 4.48Å; A571-L635 HydrophobicContact CB-CD2 4.02Å; A575-L635 HydrophobicContact CB-CD1 3.94Å; A575-L635 HydrophobicContact CB-CD2 3.83Å; A575-L635 HydrophobicContact CB-CG 3.91Å; W581-L635 HydrophobicContact CH2-CD1 4.05Å; L633-L635 WeakPolarHBondContact CD1-O 3.49Å; L635-I678 CarbonylContact O-C 3.59Å; L635-I678 VanDerWaalsContact O-CA 3.29Å; L635-I678 WeakPolarHBondContact O-CA 3.2Å; L635-A679 HydrophobicContact CB-CB 3.84Å; L635-A679 HydrophobicContact CD1-CB 4.2Å; L635-A679 HydrophobicContact CG-CB 4.28Å; L635-A679 PolarHBondContact N-O 3.49Å; L635-A679 PolarHBondContact O-N 2.94Å
636N98.1Very high97.3Very high13 Ų1342.5 Ų42.57%0.0724%0.24CC..EExtended strand (participates in β ladder)trans-139.7101176.517812.1000109.9L633 D638 A639 F642L633-N636 HydrophobicContact CD1-CB 4.38Å; L633-N636 HydrophobicContact CD2-CB 3.62Å; L633-N636 HydrophobicContact CG-CB 4.04Å; N636-D638 PolarHBondContact O-N 3.08Å; N636-D638 VanDerWaalsContact O-N 3.13Å; N636-D638 WeakPolarHBondContact OD1-CA 3.28Å; N636-D638 WeakPolarHBondContact OD1-CB 3.33Å; N636-D638 PolarHBondContact OD1-N 3.06Å; N636-A639 HydrophobicContact CB-CB 4.45Å; N636-A639 WeakPolarHBondContact O-CB 3.46Å; N636-A639 PolarHBondContact O-N 3.44Å; N636-A639 VanDerWaalsContact O-N 3.12Å; N636-F642 WeakPolarHBondContact O-CD2 3.34Å
637S98.6Very high97.3Very high2 Ų244.2 Ų44.21%0.01424%0.239CC..THydrogen-bonded Turntrans-64.5-16.5178.558.90000113.4K506 A639 C677K506-S637 PolarHBondContact NZ-O 3.47Å; S637-A639 VanDerWaalsContact C-N 3.32Å; S637-C677 WeakPolarHBondContact CB-O 3.45Å; S637-C677 VanDerWaalsContact CB-SG 3.54Å; S637-C677 PolarHBondContact N-O 3.25Å; S637-C677 PolarHBondContact OG-N 3.11Å; S637-C677 PolarHBondContact OG-O 2.87Å; S637-C677 PolarHBondContact OG-SG 2.83Å; S637-C677 VanDerWaalsContact OG-SG 3.39Å
638D98.4Very high97.4Very high5 Ų539 Ų393%0.02722%0.22CC..THydrogen-bonded Turntrans-84.6-2.1177.6-157.445.7000113.4N636 G644 Q645 N646 R647 L648 V676N636-D638 PolarHBondContact O-N 3.08Å; N636-D638 VanDerWaalsContact O-N 3.13Å; N636-D638 WeakPolarHBondContact OD1-CA 3.28Å; N636-D638 WeakPolarHBondContact OD1-CB 3.33Å; N636-D638 PolarHBondContact OD1-N 3.06Å; D638-G644 CarbonylContact O-C 3.56Å; D638-G644 VanDerWaalsContact O-C 3.22Å; D638-G644 VanDerWaalsContact O-CA 3.29Å; D638-G644 WeakPolarHBondContact O-CA 3.31Å; D638-Q645 PolarHBondContact O-N 2.66Å; D638-Q645 PolarHBondContact OD1-N 3.3Å; D638-N646 VanDerWaalsContact O-CA 3.28Å; D638-N646 WeakPolarHBondContact O-CA 3.28Å; D638-N646 PolarHBondContact O-N 3Å; D638-N646 PolarHBondContact OD2-N 2.89Å; D638-R647 VanDerWaalsContact CG-NH2 3.35Å; D638-R647 IonicContact OD1-CZ 2.82Å; D638-R647 IonicContact OD1-NE 3.48Å; D638-R647 PolarHBondContact OD1-NE 3.08Å; D638-R647 IonicContact OD1-NH2 3.44Å; D638-R647 PolarHBondContact OD1-NH2 2.95Å; D638-R647 VanDerWaalsContact OD2-CB 3.23Å; D638-R647 WeakPolarHBondContact OD2-CB 3.3Å; D638-R647 WeakPolarHBondContact OD2-CG 3.37Å; D638-R647 IonicContact OD2-CZ 3.43Å; D638-R647 PolarHBondContact OD2-N 3.49Å; D638-R647 IonicContact OD2-NE 3.58Å; D638-R647 PolarHBondContact OD2-NE 3.26Å; D638-R647 IonicContact OD2-NH2 3.52Å; D638-L648 HydrophobicContact CB-CD1 3.85Å; D638-V676 HydrophobicContact CB-CG1 3.94Å; D638-V676 HydrophobicContact CB-CG2 3.76Å
639A98.2Very high97.3Very high7 Ų740.2 Ų40.26%0.05822%0.222CC..SBendtrans-65.2149.6177.600000112.1N636 S637 E641 F642 G643 G644N636-A639 HydrophobicContact CB-CB 4.45Å; N636-A639 WeakPolarHBondContact O-CB 3.46Å; N636-A639 PolarHBondContact O-N 3.44Å; N636-A639 VanDerWaalsContact O-N 3.12Å; S637-A639 VanDerWaalsContact C-N 3.32Å; A639-E641 VanDerWaalsContact C-N 3.32Å; A639-E641 PolarHBondContact O-N 2.77Å; A639-F642 HydrophobicContact CB-CD2 3.77Å; A639-F642 HydrophobicContact CB-CE2 4.04Å; A639-F642 CarbonylContact O-C 3.59Å; A639-F642 PolarHBondContact O-N 2.86Å; A639-F642 VanDerWaalsContact O-N 3.07Å; A639-G643 PolarHBondContact O-N 2.64Å; A639-G644 PolarHBondContact O-N 3.49Å; A639-G644 VanDerWaalsContact O-N 3.08Å
640S97.2Very high97.1Very high71 Ų7142.2 Ų42.250%0.49723%0.229SC..G310 helixtrans-63.5-33.5-174.965.70000113.5F642 G643S640-F642 PolarHBondContact O-N 3.16Å; S640-F642 VanDerWaalsContact O-N 3.16Å; S640-G643 PolarHBondContact O-N 3.45Å
641E97.6Very high96.9Very high99 Ų9943.9 Ų43.946%0.46324%0.242SC..G310 helixtrans-66.4-14.9176.665.7-95.9-152.900113.8F564 N567 A639F564-E641 WeakPolarHBondContact CD1-O 3.38Å; N567-E641 PolarHBondContact ND2-O 3.03Å; N567-E641 VanDerWaalsContact ND2-O 3.15Å; A639-E641 VanDerWaalsContact C-N 3.32Å; A639-E641 PolarHBondContact O-N 2.77Å
642F98.5Very high96.7Very high16 Ų1645.3 Ų45.37%0.0725%0.252CS..G310 helixtrans-108.112.2175-47.2-49.3000112K506 N567 W568 A571 N636 A639 S640 G644K506-F642 HydrophobicContact CD-CB 4.05Å; K506-F642 PolarHBondContact NZ-O 2.81Å; N567-F642 HydrophobicContact CB-CD1 3.83Å; N567-F642 HydrophobicContact CB-CE1 3.96Å; N567-F642 WeakPolarHBondContact O-CE1 3.27Å; W568-F642 HydrophobicContact CB-CB 4.38Å; W568-F642 HydrophobicContact CB-CD1 3.89Å; W568-F642 HydrophobicContact CB-CG 4.23Å; W568-F642 HydrophobicContact CE3-CB 4.34Å; W568-F642 HydrophobicContact CE3-CD1 4.16Å; W568-F642 AromaticContact CE3-CD2 3.59Å; W568-F642 HydrophobicContact CE3-CD2 3.59Å; W568-F642 HydrophobicContact CE3-CE1 4.39Å; W568-F642 AromaticContact CE3-CE2 3.86Å; W568-F642 HydrophobicContact CE3-CE2 3.86Å; W568-F642 AromaticContact CE3-CG 3.76Å; W568-F642 HydrophobicContact CE3-CG 3.76Å; W568-F642 HydrophobicContact CE3-CZ 4.25Å; W568-F642 AromaticContact CZ3-CD2 3.98Å; W568-F642 HydrophobicContact CZ3-CD2 3.98Å; W568-F642 HydrophobicContact CZ3-CE2 4.08Å; A571-F642 HydrophobicContact CB-CE1 3.81Å; A571-F642 HydrophobicContact CB-CZ 3.57Å; N636-F642 WeakPolarHBondContact O-CD2 3.34Å; A639-F642 HydrophobicContact CB-CD2 3.77Å; A639-F642 HydrophobicContact CB-CE2 4.04Å; A639-F642 CarbonylContact O-C 3.59Å; A639-F642 PolarHBondContact O-N 2.86Å; A639-F642 VanDerWaalsContact O-N 3.07Å; S640-F642 PolarHBondContact O-N 3.16Å; S640-F642 VanDerWaalsContact O-N 3.16Å; F642-G644 VanDerWaalsContact C-N 3.34Å; F642-G644 PolarHBondContact O-N 3.3Å
643G97.4Very high96.6Very high18 Ų1848.7 Ų48.719%0.18626%0.264CS..THydrogen-bonded Turntrans72.523.2177.900000114.3A639 S640A639-G643 PolarHBondContact O-N 2.64Å; S640-G643 PolarHBondContact O-N 3.45Å
644G97.4Very high96.6Very high22 Ų2248.6 Ų48.623%0.22726%0.263CS..SBendtrans-88.2-176.6171.400000113.6D638 A639 F642D638-G644 CarbonylContact O-C 3.56Å; D638-G644 VanDerWaalsContact O-C 3.22Å; D638-G644 VanDerWaalsContact O-CA 3.29Å; D638-G644 WeakPolarHBondContact O-CA 3.31Å; A639-G644 PolarHBondContact O-N 3.49Å; A639-G644 VanDerWaalsContact O-N 3.08Å; F642-G644 VanDerWaalsContact C-N 3.34Å; F642-G644 PolarHBondContact O-N 3.3Å
645Q96.9Very high96.6Very high102 Ų10252 Ų5248%0.47728%0.279SS..  trans-91.3-0.4-175.4-60.9-175.98.400114.3E499 D638 R647E499-Q645 PolarHBondContact OE1-NE2 3.12Å; D638-Q645 PolarHBondContact O-N 2.66Å; D638-Q645 PolarHBondContact OD1-N 3.3Å; Q645-R647 HydrophobicContact CB-CG 3.88Å; Q645-R647 PolarHBondContact O-N 3.25Å; Q645-R647 VanDerWaalsContact OE1-CZ 3.27Å
646N96.7Very high96.6Very high92 Ų9252.8 Ų52.849%0.49228%0.284SS..  trans57.146.2179.2-161.146.4000114D638D638-N646 VanDerWaalsContact O-CA 3.28Å; D638-N646 WeakPolarHBondContact O-CA 3.28Å; D638-N646 PolarHBondContact O-N 3Å; D638-N646 PolarHBondContact OD2-N 2.89Å
647R97.6Very high96.5Very high72 Ų7256.4 Ų56.427%0.27230%0.3SS..  trans-88.7-9.1-174.8-63.2167.4-75.2-164-1.4114.7D638 Q645 Y671 P673D638-R647 VanDerWaalsContact CG-NH2 3.35Å; D638-R647 IonicContact OD1-CZ 2.82Å; D638-R647 IonicContact OD1-NE 3.48Å; D638-R647 PolarHBondContact OD1-NE 3.08Å; D638-R647 IonicContact OD1-NH2 3.44Å; D638-R647 PolarHBondContact OD1-NH2 2.95Å; D638-R647 VanDerWaalsContact OD2-CB 3.23Å; D638-R647 WeakPolarHBondContact OD2-CB 3.3Å; D638-R647 WeakPolarHBondContact OD2-CG 3.37Å; D638-R647 IonicContact OD2-CZ 3.43Å; D638-R647 PolarHBondContact OD2-N 3.49Å; D638-R647 IonicContact OD2-NE 3.58Å; D638-R647 PolarHBondContact OD2-NE 3.26Å; D638-R647 IonicContact OD2-NH2 3.52Å; Q645-R647 HydrophobicContact CB-CG 3.88Å; Q645-R647 PolarHBondContact O-N 3.25Å; Q645-R647 VanDerWaalsContact OE1-CZ 3.27Å; R647-Y671 HydrophobicContact CB-CE1 4.01Å; R647-Y671 WeakPolarHBondContact O-CE1 3.37Å; R647-P673 HydrophobicContact CB-CG 4.25Å; R647-P673 VanDerWaalsContact CZ-CB 3.48Å
648L97Very high96.5Very high11 Ų1160.8 Ų60.86%0.05833%0.328CS..SBendtrans-108136.3178.4-63.489.7000110.1L633 D638 P650 Y671 P673 V676 I678L633-L648 HydrophobicContact CD2-CB 4.43Å; D638-L648 HydrophobicContact CB-CD1 3.85Å; L648-P650 WeakPolarHBondContact O-CD 3.44Å; L648-Y671 HydrophobicContact CG-CD1 4.42Å; L648-P673 HydrophobicContact CD1-CG 3.77Å; L648-V676 HydrophobicContact CD1-CG1 4.4Å; L648-I678 HydrophobicContact CD2-CD1 4.46Å; L648-I678 HydrophobicContact CD2-CG2 3.85Å
649D95Very high96.3Very high94 Ų9468 Ų6850%0.50336%0.356SS..  trans-77.5117.6172-178.7-3000109.6N651 S652D649-N651 PolarHBondContact O-N 3.17Å; D649-N651 VanDerWaalsContact O-N 3.13Å; D649-N651 WeakPolarHBondContact OD1-CB 3.32Å; D649-N651 PolarHBondContact OD1-N 3.4Å; D649-N651 PolarHBondContact OD1-ND2 2.68Å; D649-S652 WeakPolarHBondContact O-CB 3.2Å; D649-S652 PolarHBondContact O-N 3.43Å; D649-S652 PolarHBondContact O-OG 3.47Å; D649-S652 VanDerWaalsContact O-OG 3.06Å
650P91.3Very high96.3Very high79 Ų7975.3 Ų75.351%0.51339%0.389SS..THydrogen-bonded Turntrans-62.9-18178.326.6-35.1000113.5L648L648-P650 WeakPolarHBondContact O-CD 3.44Å
651N93.7Very high96.3Very high117 Ų11775 Ų7563%0.62638%0.377SS*.THydrogen-bonded Turntrans-88.6-1.8176.4-58.6-61.9000113.2D649 R653D649-N651 PolarHBondContact O-N 3.17Å; D649-N651 VanDerWaalsContact O-N 3.13Å; D649-N651 WeakPolarHBondContact OD1-CB 3.32Å; D649-N651 PolarHBondContact OD1-N 3.4Å; D649-N651 PolarHBondContact OD1-ND2 2.68Å; N651-R653 PolarHBondContact O-NH1 2.78Å
652S91.4Very high96.2Very high33 Ų3371.7 Ų71.723%0.23137%0.367CS..  trans-59143.8177.671.20000111D649 H654D649-S652 WeakPolarHBondContact O-CB 3.2Å; D649-S652 PolarHBondContact O-N 3.43Å; D649-S652 PolarHBondContact O-OG 3.47Å; D649-S652 VanDerWaalsContact O-OG 3.06Å; S652-H654 PolarHBondContact OG-NE2 2.94Å; S652-H654 VanDerWaalsContact OG-NE2 3.12Å
653R95.2Very high96Very high104 Ų10473.4 Ų73.439%0.39239%0.39SS..EExtended strand (participates in β ladder)trans-120.9126.2173-66.1-61.7-174.6-85.51.6108.9N651 E683N651-R653 PolarHBondContact O-NH1 2.78Å; R653-E683 WeakPolarHBondContact CD-OE2 3.25Å; R653-E683 IonicContact CZ-OE1 3.21Å; R653-E683 IonicContact NE-OE1 2.83Å; R653-E683 PolarHBondContact NE-OE1 3.41Å; R653-E683 IonicContact NE-OE2 2.95Å; R653-E683 PolarHBondContact NE-OE2 3.43Å; R653-E683 IonicContact NH2-OE1 2.76Å; R653-E683 PolarHBondContact NH2-OE1 2.74Å
654H96.5Very high96Very high23 Ų2374.5 Ų74.511%0.10639%0.388CS..EExtended strand (participates in β ladder)trans-98.2108.2-179.4-60.5-92.6000108.6Y631 S652 L668 L669Y631-H654 PolarHBondContact N-O 3.34Å; Y631-H654 PolarHBondContact O-N 3.38Å; S652-H654 PolarHBondContact OG-NE2 2.94Å; S652-H654 VanDerWaalsContact OG-NE2 3.12Å; H654-L668 HydrophobicContact CB-CB 4.48Å; H654-L668 HydrophobicContact CB-CD1 4.32Å; H654-L668 HydrophobicContact CB-CD2 4.25Å; H654-L669 PolarHBondContact ND1-O 2.82Å
655L97.3Very high96.1Very high103 Ų10376.7 Ų76.754%0.53940%0.398SS..EExtended strand (participates in β ladder)trans-79.4137.3177.8-59.7179.7000110.2K630K630-L655 HydrophobicContact CB-CD2 4.39Å; K630-L655 HydrophobicContact CD-CD2 4.3Å; K630-L655 HydrophobicContact CG-CD2 3.69Å
656T97.7Very high96.1Very high25 Ų2573.5 Ų73.515%0.15338%0.384CS..  trans-86.1145.2174.1630000112.3V625 P628 G629 Y631 H667 L668V625-T656 HydrophobicContact CG2-CG2 3.74Å; P628-T656 WeakPolarHBondContact CA-OG1 3.46Å; G629-T656 PolarHBondContact N-OG1 2.87Å; G629-T656 PolarHBondContact O-N 2.82Å; G629-T656 PolarHBondContact O-OG1 2.93Å; Y631-T656 HydrophobicContact CD2-CG2 3.87Å; Y631-T656 HydrophobicContact CE2-CG2 3.68Å; T656-H667 CarbonylContact C-O 3.49Å; T656-H667 VanDerWaalsContact CA-O 3.27Å; T656-H667 WeakPolarHBondContact CA-O 3.4Å; T656-L668 HydrophobicContact CG2-CB 4.49Å; T656-L668 HydrophobicContact CG2-CD2 4.41Å
657F98Very high96.2Very high90 Ų9069.7 Ų69.740%0.39536%0.363SS..BIsolated β-bridgetrans-106.6141.2171.5-58.9-90.3000110.6Y659 H666 H667 L669F657-Y659 HydrophobicContact CB-CD2 4.06Å; F657-Y659 PolarHBondContact O-N 3.35Å; F657-H666 WeakPolarHBondContact O-CA 3.34Å; F657-H666 WeakPolarHBondContact O-CB 3.34Å; F657-H667 AromaticContact CD2-CD2 3.96Å; F657-H667 AromaticContact CD2-NE2 3.81Å; F657-H667 AromaticContact CG-NE2 3.97Å; F657-H667 PolarHBondContact N-O 2.97Å; F657-H667 PolarHBondContact O-N 2.97Å; F657-H667 VanDerWaalsContact O-N 3.12Å; F657-L669 HydrophobicContact CE2-CD1 4.46Å; F657-L669 HydrophobicContact CE2-CG 4.33Å
658P96.6Very high96.2Very high94 Ų9466.3 Ų66.361%0.6135%0.35SS*.SBendtrans-83.753.6-174.437.2-38.4000112.7
659Y95.8Very high96.2Very high157 Ų15768.7 Ų68.762%0.61636%0.362SS*.SBendtrans-132.4136.7176.4-56.2-77.1000110.6F657 Y661 P665 H666 H667F657-Y659 HydrophobicContact CB-CD2 4.06Å; F657-Y659 PolarHBondContact O-N 3.35Å; Y659-Y661 PolarHBondContact O-N 3.45Å; Y659-P665 CarbonylContact C-O 3.54Å; Y659-H666 CarbonylContact O-C 3.5Å; Y659-H667 AromaticContact CD2-CE1 3.97Å; Y659-H667 PolarHBondContact O-ND1 3.16Å; Y659-H667 VanDerWaalsContact O-ND1 3.1Å
660E96.6Very high96.3Very high160 Ų16064.3 Ų64.375%0.74834%0.339SS*.  trans-59.8135178.6-168.2-174.2129.800111.2R664E660-R664 CarbonylContact C-O 3.51Å; E660-R664 WeakPolarHBondContact CA-O 3.3Å; E660-R664 WeakPolarHBondContact CG-O 3.44Å
661Y97.2Very high96.6Very high63 Ų6364.4 Ų64.425%0.24733%0.33CS..BIsolated β-bridgetrans-150.5132.9171.3-171.5-105.6000109.6W591 K622 Y659 G663 R664 H667W591-Y661 HydrophobicContact CE3-CE1 4.26Å; W591-Y661 HydrophobicContact CH2-CE1 4.21Å; W591-Y661 HydrophobicContact CH2-CE2 4.48Å; W591-Y661 AromaticContact CH2-CZ 3.73Å; W591-Y661 WeakPolarHBondContact CH2-OH 3.46Å; W591-Y661 VanDerWaalsContact CZ2-OH 3.24Å; W591-Y661 WeakPolarHBondContact CZ2-OH 3.28Å; W591-Y661 HydrophobicContact CZ3-CE1 4.06Å; W591-Y661 AromaticContact CZ3-CZ 3.98Å; K622-Y661 HydrophobicContact CB-CE1 4.1Å; K622-Y661 HydrophobicContact CD-CD1 4.08Å; K622-Y661 HydrophobicContact CD-CD2 3.54Å; K622-Y661 HydrophobicContact CD-CE1 4.2Å; K622-Y661 HydrophobicContact CD-CE2 3.68Å; K622-Y661 HydrophobicContact CD-CG 3.74Å; K622-Y661 HydrophobicContact CG-CD1 3.8Å; K622-Y661 HydrophobicContact CG-CD2 4.18Å; K622-Y661 HydrophobicContact CG-CE1 3.79Å; K622-Y661 HydrophobicContact CG-CE2 4.18Å; K622-Y661 HydrophobicContact CG-CG 3.98Å; K622-Y661 VanDerWaalsContact O-CE1 3.3Å; K622-Y661 WeakPolarHBondContact O-CE1 3.29Å; Y659-Y661 PolarHBondContact O-N 3.45Å; Y661-G663 VanDerWaalsContact C-N 3.29Å; Y661-G663 PolarHBondContact O-N 3.24Å; Y661-R664 PolarHBondContact N-O 3.07Å; Y661-R664 WeakPolarHBondContact O-CB 3.46Å; Y661-R664 PolarHBondContact O-N 3.46Å; Y661-H667 HydrophobicContact CG-CB 4.49Å
662A95.6Very high96.7Very high31 Ų3158.9 Ų58.926%0.25630%0.3SS..THydrogen-bonded Turntrans53.341.4174.400000114.5S590 W591 R664S590-A662 WeakPolarHBondContact O-CB 3.31Å; W591-A662 HydrophobicContact CE3-CB 3.49Å; W591-A662 VanDerWaalsContact CE3-CB 3.49Å; W591-A662 HydrophobicContact CZ3-CB 3.7Å; A662-R664 VanDerWaalsContact C-N 3.26Å; A662-R664 PolarHBondContact O-N 2.9Å
663G95.9Very high97.1Very high52 Ų5257.3 Ų57.354%0.53629%0.289SS..THydrogen-bonded Turntrans72.514.2-179.100000114.6Y661Y661-G663 VanDerWaalsContact C-N 3.29Å; Y661-G663 PolarHBondContact O-N 3.24Å
664R97.6Very high97.2Very high40 Ų4053.1 Ų53.115%0.15128%0.276CS..BIsolated β-bridgetrans-116.6143.9175.7-53.1-56.9-74.5-179.9-20.9110.8F588 E602 E660 Y661 A662 H666F588-R664 HydrophobicContact CE1-CG 4.25Å; E602-R664 VanDerWaalsContact CD-NH2 3.31Å; E602-R664 IonicContact OE1-NH2 3.95Å; E602-R664 IonicContact OE2-CZ 3.84Å; E602-R664 IonicContact OE2-NE 2.56Å; E602-R664 PolarHBondContact OE2-NE 3.16Å; E602-R664 IonicContact OE2-NH2 3.99Å; E602-R664 PolarHBondContact OE2-NH2 3.04Å; E660-R664 CarbonylContact C-O 3.51Å; E660-R664 WeakPolarHBondContact CA-O 3.3Å; E660-R664 WeakPolarHBondContact CG-O 3.44Å; Y661-R664 PolarHBondContact N-O 3.07Å; Y661-R664 WeakPolarHBondContact O-CB 3.46Å; Y661-R664 PolarHBondContact O-N 3.46Å; A662-R664 VanDerWaalsContact C-N 3.26Å; A662-R664 PolarHBondContact O-N 2.9Å; R664-H666 VanDerWaalsContact C-N 3.29Å; R664-H666 PolarHBondContact O-N 3.06Å
665P97.6Very high97.3Very high69 Ų6954.3 Ų54.345%0.44828%0.279SS..SBendtrans-70.5-20.9-174.627.3-35.9000114.6A626 Y659A626-P665 WeakPolarHBondContact O-CG 3.35Å; Y659-P665 CarbonylContact C-O 3.54Å
666H98Very high97.4Very high35 Ų3549.5 Ų49.516%0.16225%0.254CS..EExtended strand (participates in β ladder)trans-128.8166.3179.5-52.687.1000110G624 V625 A626 F657 Y659 R664G624-H666 CarbonylContact C-O 3.41Å; G624-H666 WeakPolarHBondContact CA-O 3.35Å; V625-H666 HydrophobicContact CG2-CB 3.94Å; V625-H666 PolarHBondContact N-O 2.97Å; V625-H666 PolarHBondContact O-N 3.02Å; V625-H666 VanDerWaalsContact O-N 3.17Å; A626-H666 PolarHBondContact O-ND1 3.18Å; F657-H666 WeakPolarHBondContact O-CA 3.34Å; F657-H666 WeakPolarHBondContact O-CB 3.34Å; Y659-H666 CarbonylContact O-C 3.5Å; R664-H666 VanDerWaalsContact C-N 3.29Å; R664-H666 PolarHBondContact O-N 3.06Å
667H98Very high97.4Very high12 Ų1248.3 Ų48.36%0.05625%0.247CC..EExtended strand (participates in β ladder)trans-141162.6168.369.1-88.6000111.6K622 V623 T656 F657 Y659 Y661K622-H667 HydrophobicContact CD-CB 4.34Å; K622-H667 VanDerWaalsContact CE-CD2 3.48Å; K622-H667 WeakPolarHBondContact CE-CD2 3.47Å; K622-H667 VanDerWaalsContact CE-NE2 3.34Å; K622-H667 WeakPolarHBondContact CE-NE2 3.31Å; K622-H667 HydrophobicContact CG-CB 4.01Å; K622-H667 PolarHBondContact NZ-NE2 3.06Å; V623-H667 CarbonylContact O-C 3.59Å; V623-H667 WeakPolarHBondContact O-CA 3.45Å; V623-H667 VanDerWaalsContact O-CB 3.32Å; V623-H667 WeakPolarHBondContact O-CB 3.38Å; T656-H667 CarbonylContact C-O 3.49Å; T656-H667 VanDerWaalsContact CA-O 3.27Å; T656-H667 WeakPolarHBondContact CA-O 3.4Å; F657-H667 AromaticContact CD2-CD2 3.96Å; F657-H667 AromaticContact CD2-NE2 3.81Å; F657-H667 AromaticContact CG-NE2 3.97Å; F657-H667 PolarHBondContact N-O 2.97Å; F657-H667 PolarHBondContact O-N 2.97Å; F657-H667 VanDerWaalsContact O-N 3.12Å; Y659-H667 AromaticContact CD2-CE1 3.97Å; Y659-H667 PolarHBondContact O-ND1 3.16Å; Y659-H667 VanDerWaalsContact O-ND1 3.1Å; Y661-H667 HydrophobicContact CG-CB 4.49Å
668L97.9Very high97.5Very high0 Ų044 Ų440%023%0.228CC..EExtended strand (participates in β ladder)trans-133.3168.7170.657.780.7000109.7L607 V623 V625 Y631 H654 T656 V670L607-L668 HydrophobicContact CD2-CD1 4.11Å; L607-L668 HydrophobicContact CD2-CD2 4.08Å; L607-L668 HydrophobicContact CD2-CG 4.38Å; V623-L668 HydrophobicContact CB-CD1 4.44Å; V623-L668 PolarHBondContact N-O 2.92Å; V623-L668 PolarHBondContact O-N 2.91Å; V625-L668 HydrophobicContact CG1-CD2 3.84Å; V625-L668 HydrophobicContact CG1-CG 4.2Å; V625-L668 HydrophobicContact CG2-CD2 4.33Å; Y631-L668 HydrophobicContact CD1-CD2 4.32Å; Y631-L668 HydrophobicContact CD2-CD2 3.86Å; Y631-L668 HydrophobicContact CE2-CD2 4.35Å; Y631-L668 HydrophobicContact CG-CD2 3.85Å; H654-L668 HydrophobicContact CB-CB 4.48Å; H654-L668 HydrophobicContact CB-CD1 4.32Å; H654-L668 HydrophobicContact CB-CD2 4.25Å; T656-L668 HydrophobicContact CG2-CB 4.49Å; T656-L668 HydrophobicContact CG2-CD2 4.41Å; L668-V670 HydrophobicContact CD1-CG1 3.46Å; L668-V670 VanDerWaalsContact CD1-CG1 3.46Å
669L97.8Very high97.6Very high61 Ų6139.5 Ų39.532%0.31920%0.199SC..EExtended strand (participates in β ladder)trans-109.4135.5174.8-57.8178.5000109.4D620 Y621 K622 H654 F657D620-L669 HydrophobicContact CB-CD1 4.38Å; Y621-L669 WeakPolarHBondContact O-CA 3.4Å; K622-L669 HydrophobicContact CB-CD2 3.96Å; K622-L669 HydrophobicContact CG-CD2 4.29Å; H654-L669 PolarHBondContact ND1-O 2.82Å; F657-L669 HydrophobicContact CE2-CD1 4.46Å; F657-L669 HydrophobicContact CE2-CG 4.33Å
670V97.2Very high97.7Very high2 Ų232 Ų321%0.01217%0.17CC..EExtended strand (participates in β ladder)trans-130.7140.9178.5-78.90000111P619 Y621 V623 L668 V672 I678 L680P619-V670 CarbonylContact O-C 3.22Å; Y621-V670 WeakPolarHBondContact CB-O 3.4Å; Y621-V670 PolarHBondContact N-O 2.88Å; Y621-V670 WeakPolarHBondContact O-CG2 3.48Å; Y621-V670 PolarHBondContact O-N 3.22Å; V623-V670 HydrophobicContact CG2-CG2 3.61Å; L668-V670 HydrophobicContact CD1-CG1 3.46Å; L668-V670 VanDerWaalsContact CD1-CG1 3.46Å; V670-V672 HydrophobicContact CB-CG2 3.95Å; V670-V672 HydrophobicContact CG2-CG2 3.48Å; V670-V672 VanDerWaalsContact CG2-CG2 3.48Å; V670-I678 HydrophobicContact CB-CD1 4.44Å; V670-I678 HydrophobicContact CG1-CD1 4.29Å; V670-L680 HydrophobicContact CG1-CD1 3.63Å
671Y98Very high97.7Very high82 Ų8224.5 Ų24.532%0.32214%0.135SC..EExtended strand (participates in β ladder)trans-80.1118.9162175-142.2000108.9F618 P619 R647 L648 P673F618-Y671 CarbonylContact O-C 3.58Å; F618-Y671 WeakPolarHBondContact O-CA 3.22Å; F618-Y671 WeakPolarHBondContact O-CD2 3.48Å; P619-Y671 VanDerWaalsContact O-CA 3.25Å; P619-Y671 WeakPolarHBondContact O-CA 3.29Å; P619-Y671 PolarHBondContact O-N 2.73Å; R647-Y671 HydrophobicContact CB-CE1 4.01Å; R647-Y671 WeakPolarHBondContact O-CE1 3.37Å; L648-Y671 HydrophobicContact CG-CD1 4.42Å; Y671-P673 HydrophobicContact CD1-CG 4.33Å; Y671-P673 HydrophobicContact CE1-CG 3.83Å; Y671-P673 HydrophobicContact CE2-CG 4.12Å
672V96Very high97.6Very high0 Ų022.5 Ų22.50%013%0.129CC..EExtended strand (participates in β ladder)trans-124.295-178.6-156.50000109.5V609 N611 F618 V670V609-V672 HydrophobicContact CG1-CG1 4.05Å; V609-V672 HydrophobicContact CG1-CG2 3.89Å; N611-V672 HydrophobicContact CB-CB 4.32Å; N611-V672 HydrophobicContact CB-CG1 3.47Å; N611-V672 VanDerWaalsContact CB-CG1 3.47Å; N611-V672 PolarHBondContact ND2-O 3.26Å; F618-V672 PolarHBondContact N-O 2.83Å; F618-V672 PolarHBondContact O-N 2.97Å; V670-V672 HydrophobicContact CB-CG2 3.95Å; V670-V672 HydrophobicContact CG2-CG2 3.48Å; V670-V672 VanDerWaalsContact CG2-CG2 3.48Å
673P98.3Very high97.5Very high0 Ų022 Ų220%012%0.122CC..  trans-63.7158.9176.4-14.525.9000112.5N611 R647 L648 Y671 V676N611-P673 WeakPolarHBondContact CB-O 3.32Å; N611-P673 VanDerWaalsContact ND2-C 3.3Å; N611-P673 PolarHBondContact ND2-O 3.22Å; R647-P673 HydrophobicContact CB-CG 4.25Å; R647-P673 VanDerWaalsContact CZ-CB 3.48Å; L648-P673 HydrophobicContact CD1-CG 3.77Å; Y671-P673 HydrophobicContact CD1-CG 4.33Å; Y671-P673 HydrophobicContact CE1-CG 3.83Å; Y671-P673 HydrophobicContact CE2-CG 4.12Å; P673-V676 HydrophobicContact CB-CB 4.39Å; P673-V676 HydrophobicContact CB-CG2 3.78Å; P673-V676 HydrophobicContact CG-CG2 4.1Å; P673-V676 PolarHBondContact O-N 3.19Å
674S98.5Very high96.7Very high16 Ų1623.7 Ų23.711%0.11212%0.118CC..THydrogen-bonded Turntrans-56.6135.8172.9170.20000111.6N611 H613 C614 S615 K616 S617 V676N611-S674 PolarHBondContact ND2-N 3.01Å; H613-S674 PolarHBondContact O-OG 2.83Å; C614-S674 VanDerWaalsContact C-OG 3.28Å; S615-S674 WeakPolarHBondContact CA-OG 3.41Å; S615-S674 PolarHBondContact N-OG 2.96Å; S615-S674 VanDerWaalsContact N-OG 3.08Å; K616-S674 WeakPolarHBondContact O-CA 3.36Å; K616-S674 WeakPolarHBondContact O-CB 3.23Å; S617-S674 PolarHBondContact OG-N 2.88Å; S617-S674 VanDerWaalsContact OG-N 3.11Å; S674-V676 VanDerWaalsContact C-N 3.34Å; S674-V676 PolarHBondContact O-N 3.5Å
675R98.4Very high94.7Very high49 Ų4929.8 Ų29.819%0.18515%0.149CC..THydrogen-bonded Turntrans54.146.1-179.6-61.2-177.3177.2136-1.6113.3D437 A503 M507 N611D437-R675 IonicContact OD2-CZ 2.66Å; D437-R675 IonicContact OD2-NE 2.75Å; D437-R675 IonicContact OD2-NH2 3.52Å; D437-R675 PolarHBondContact OD2-NH2 3.28Å; A503-R675 HydrophobicContact CB-CB 3.87Å; M507-R675 HydrophobicContact SD-CB 4.25Å; N611-R675 WeakPolarHBondContact O-CA 3.24Å; N611-R675 PolarHBondContact O-N 3.42Å
676V98.7Very high92.5Very high1 Ų135.5 Ų35.51%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-126.4136.6175.5175.10000109.5N611 D638 L648 P673 S674 I678N611-V676 PolarHBondContact N-O 3.45Å; N611-V676 PolarHBondContact O-N 3.49Å; D638-V676 HydrophobicContact CB-CG1 3.94Å; D638-V676 HydrophobicContact CB-CG2 3.76Å; L648-V676 HydrophobicContact CD1-CG1 4.4Å; P673-V676 HydrophobicContact CB-CB 4.39Å; P673-V676 HydrophobicContact CB-CG2 3.78Å; P673-V676 HydrophobicContact CG-CG2 4.1Å; P673-V676 PolarHBondContact O-N 3.19Å; S674-V676 VanDerWaalsContact C-N 3.34Å; S674-V676 PolarHBondContact O-N 3.5Å; V676-I678 HydrophobicContact CG1-CG2 3.92Å
677C98.7Very high90.1Very high0 Ų039.5 Ų39.50%019%0.185CC..EExtended strand (participates in β ladder)trans-110.4141.316063.50000111.8M507 L510 W568 V609 F610 S637M507-C677 HydrophobicContact CG-CB 3.98Å; L510-C677 HydrophobicContact CD2-CB 4.18Å; W568-C677 VanDerWaalsContact CZ2-SG 3.58Å; V609-C677 CarbonylContact O-C 3.39Å; V609-C677 VanDerWaalsContact O-CA 3.29Å; V609-C677 WeakPolarHBondContact O-CA 3.33Å; F610-C677 HydrophobicContact CD1-CB 3.25Å; F610-C677 HydrophobicContact CE1-CB 3.4Å; F610-C677 VanDerWaalsContact CE1-CB 3.4Å; F610-C677 HydrophobicContact CG-CB 3.9Å; F610-C677 HydrophobicContact CZ-CB 4.2Å; S637-C677 WeakPolarHBondContact CB-O 3.45Å; S637-C677 VanDerWaalsContact CB-SG 3.54Å; S637-C677 PolarHBondContact N-O 3.25Å; S637-C677 PolarHBondContact OG-N 3.11Å; S637-C677 PolarHBondContact OG-O 2.87Å; S637-C677 PolarHBondContact OG-SG 2.83Å; S637-C677 VanDerWaalsContact OG-SG 3.39Å
678I98.5Very high87.2Confident0 Ų044.9 Ų44.90%021%0.21CC..EExtended strand (participates in β ladder)trans-130.9152.517560.9175000110.2F608 V609 L633 L635 L648 V670 V676 L680F608-I678 WeakPolarHBondContact CA-O 3.46Å; V609-I678 HydrophobicContact CB-CD1 4.31Å; V609-I678 HydrophobicContact CB-CG1 3.83Å; V609-I678 HydrophobicContact CG2-CG1 4.38Å; V609-I678 PolarHBondContact N-O 2.91Å; V609-I678 PolarHBondContact O-N 3.32Å; L633-I678 HydrophobicContact CD1-CB 3.82Å; L633-I678 HydrophobicContact CD1-CG2 3.99Å; L635-I678 CarbonylContact O-C 3.59Å; L635-I678 VanDerWaalsContact O-CA 3.29Å; L635-I678 WeakPolarHBondContact O-CA 3.2Å; L648-I678 HydrophobicContact CD2-CD1 4.46Å; L648-I678 HydrophobicContact CD2-CG2 3.85Å; V670-I678 HydrophobicContact CB-CD1 4.44Å; V670-I678 HydrophobicContact CG1-CD1 4.29Å; V676-I678 HydrophobicContact CG1-CG2 3.92Å; I678-L680 HydrophobicContact CD1-CD1 4.03Å; I678-L680 HydrophobicContact CD1-CG 4.48Å
679A98.4Very high84Confident0 Ų055.9 Ų55.90%026%0.262CS..EExtended strand (participates in β ladder)trans-123.4138.7166.500000109.5V606 L607 F608 V634 L635V606-A679 HydrophobicContact CG1-CB 3.83Å; L607-A679 CarbonylContact O-C 3.54Å; L607-A679 VanDerWaalsContact O-CA 3.29Å; L607-A679 WeakPolarHBondContact O-CA 3.34Å; F608-A679 HydrophobicContact CD1-CB 3.77Å; F608-A679 HydrophobicContact CE1-CB 3.83Å; V634-A679 HydrophobicContact CG2-CB 3.72Å; V634-A679 WeakPolarHBondContact CG2-O 3.27Å; V634-A679 PolarHBondContact N-O 2.79Å; L635-A679 HydrophobicContact CB-CB 3.84Å; L635-A679 HydrophobicContact CD1-CB 4.2Å; L635-A679 HydrophobicContact CG-CB 4.28Å; L635-A679 PolarHBondContact N-O 3.49Å; L635-A679 PolarHBondContact O-N 2.94Å
680L98.2Very high83.3Confident0 Ų055.6 Ų55.60%026%0.259CS..EExtended strand (participates in β ladder)trans-127135-176.5-68.6154.8000108.9V606 L607 Y631 K632 L633 V670 I678V606-L680 CarbonylContact C-O 3.6Å; V606-L680 WeakPolarHBondContact CA-O 3.47Å; V606-L680 WeakPolarHBondContact CG1-O 3.31Å; L607-L680 HydrophobicContact CB-CB 4.29Å; L607-L680 HydrophobicContact CD2-CD1 3.88Å; L607-L680 PolarHBondContact N-O 2.77Å; L607-L680 PolarHBondContact O-N 3.05Å; Y631-L680 HydrophobicContact CD1-CB 4.07Å; K632-L680 CarbonylContact O-C 3.28Å; K632-L680 VanDerWaalsContact O-CA 3.27Å; K632-L680 WeakPolarHBondContact O-CA 3.24Å; L633-L680 HydrophobicContact CB-CD2 4.42Å; L633-L680 HydrophobicContact CD1-CD2 4.08Å; L633-L680 HydrophobicContact CD1-CG 4.5Å; V670-L680 HydrophobicContact CG1-CD1 3.63Å; I678-L680 HydrophobicContact CD1-CD1 4.03Å; I678-L680 HydrophobicContact CD1-CG 4.48Å
681A97.2Very high82.6Confident2 Ų258.4 Ų58.42%0.01727%0.272CS..EExtended strand (participates in β ladder)trans-121.6149.8174.200000110.6Y579 Y631 K632 V634 E683Y579-A681 HydrophobicContact CD1-CB 4.21Å; Y579-A681 HydrophobicContact CE1-CB 3.55Å; Y631-A681 CarbonylContact C-O 3.46Å; Y631-A681 WeakPolarHBondContact CA-O 3.28Å; K632-A681 PolarHBondContact N-O 3.35Å; K632-A681 PolarHBondContact O-N 3.1Å; V634-A681 HydrophobicContact CG1-CB 3.6Å; V634-A681 HydrophobicContact CG2-CB 4.47Å; A681-E683 PolarHBondContact O-N 2.98Å
682P95.8Very high81.7Confident20 Ų2057.1 Ų57.113%0.1327%0.269CS..EExtended strand (participates in β ladder)trans-53.9136.8168.6-22.331.4000110.8G605 K630 Y631G605-P682 WeakPolarHBondContact O-CD 3.49Å; K630-P682 WeakPolarHBondContact O-CA 3.49Å; Y631-P682 HydrophobicContact CD1-CG 4.41Å; Y631-P682 HydrophobicContact CE1-CG 3.81Å; Y631-P682 HydrophobicContact CE2-CG 4.39Å
683E92.4Very high80.9Confident22 Ų2260.5 Ų60.510%0.10329%0.285CS..PPolyproline II helixtrans-76.5123.5169.2-168.9160.6-130.800108.5K630 K632 R653 A681 E685K630-E683 HydrophobicContact CB-CB 4.38Å; K630-E683 PolarHBondContact O-N 2.98Å; K632-E683 HydrophobicContact CD-CG 4.46Å; R653-E683 WeakPolarHBondContact CD-OE2 3.25Å; R653-E683 IonicContact CZ-OE1 3.21Å; R653-E683 IonicContact NE-OE1 2.83Å; R653-E683 PolarHBondContact NE-OE1 3.41Å; R653-E683 IonicContact NE-OE2 2.95Å; R653-E683 PolarHBondContact NE-OE2 3.43Å; R653-E683 IonicContact NH2-OE1 2.76Å; R653-E683 PolarHBondContact NH2-OE1 2.74Å; A681-E683 PolarHBondContact O-N 2.98Å; E683-E685 PolarHBondContact O-N 3.01Å
684D78.8Confident79.8Confident87 Ų8764.3 Ų64.347%0.46530%0.302SS..PPolyproline II helixtrans-73.8124.2177.7-79.1-35.7000109.5R627 K686 E687R627-D684 IonicContact NH1-OD1 3.66Å; D684-K686 PolarHBondContact O-N 3.28Å; D684-E687 PolarHBondContact O-N 3.32Å
685E57.2Low78.5Confident168 Ų16867.5 Ų67.579%0.78532%0.315SS*.THydrogen-bonded Turntrans-58-13.3-179.8-67.4-178.2168.800113.6E683E683-E685 PolarHBondContact O-N 3.01Å
686K51.5Low77.1Confident189 Ų18968.8 Ų68.882%0.82232%0.324SS*.THydrogen-bonded Turntrans-82.9-16.3176.3-70.9-173.5177.9-178.60114.5D684 E688D684-K686 PolarHBondContact O-N 3.28Å; K686-E688 VanDerWaalsContact C-N 3.32Å
687E47.5Very low75.5Confident118 Ų11874 Ų7455%0.55135%0.349SS*.THydrogen-bonded Turntrans-81.2-12.6176.4-73.7-177.1157.600112.5K632 D684K632-E687 IonicContact NZ-OE2 2.79Å; K632-E687 PolarHBondContact NZ-OE2 3.3Å; D684-E687 PolarHBondContact O-N 3.32Å
688E37.2Very low73.5Confident126 Ų12680.2 Ų80.259%0.58938%0.378SS*.THydrogen-bonded Turntrans-95.55.2177.5-80-173.9153.700114K630 K686K630-E688 IonicContact NZ-OE1 2.85Å; K630-E688 PolarHBondContact NZ-OE1 2.82Å; K630-E688 IonicContact NZ-OE2 3.59Å; K630-E688 PolarHBondContact NZ-OE2 2.84Å; K686-E688 VanDerWaalsContact C-N 3.32Å
689Q29.8Very low71.3Confident230 Ų23087.5 Ų87.5100%1.07541%0.412SS*.  trans-111.50171.3-73.2-176.29.700111.1

Retrieved 689 of 689 residues in 603.1 ms (Link to these results)

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