A0A077ZCD8_TRITR Loading...

Probable transcriptional regulator ycf27

AlphaFold DB , UniProt , Accession A0A077ZCD8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 238 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
1M53.9Low90.5Very high197 Ų19747.9 Ų47.997%0.9725%0.246SC*.  0135.70-77.1175173.700106.8M122M1-M122 HydrophobicContact CG-SD 4.22Å; M1-M122 HydrophobicContact SD-SD 4.32Å
2Q74.7Confident91.1Very high141 Ų14150.7 Ų50.766%0.65926%0.257SS*.PPolyproline II helixtrans-68.1138.3175.6-172.3173.12.500109.3
3T87.3Confident91.6Very high55 Ų5554.5 Ų54.534%0.33728%0.277SS..PPolyproline II helixtrans-61.6128.3174.6-60.90000109.3H5 G27 D29T3-H5 PolarHBondContact O-CD2 2.9Å; T3-G27 WeakPolarHBondContact CG2-O 3.49Å; T3-D29 WeakPolarHBondContact CB-OD2 3.27Å; T3-D29 HydrophobicContact CG2-CB 4.38Å; T3-D29 WeakPolarHBondContact CG2-OD2 3.29Å
4P92.8Very high92Very high37 Ų3757.7 Ų57.724%0.2430%0.301CS..PPolyproline II helixtrans-66.3138.6178.6-21.732.7000112.4Y28 D29 N49 L118P4-Y28 HydrophobicContact CB-CD1 4.04Å; P4-Y28 HydrophobicContact CB-CE1 4.32Å; P4-Y28 HydrophobicContact CG-CD1 4.17Å; P4-Y28 HydrophobicContact CG-CE1 4.13Å; P4-D29 PolarHBondContact O-N 3Å; P4-N49 WeakPolarHBondContact CA-OD1 3.39Å; P4-N49 HydrophobicContact CB-CB 4.28Å; P4-N49 WeakPolarHBondContact CB-OD1 3.35Å; P4-L118 HydrophobicContact CB-CD1 4.34Å; P4-L118 HydrophobicContact CB-CD2 3.99Å
5H96.6Very high92.3Very high26 Ų2655.3 Ų55.312%0.1229%0.29CS..EExtended strand (participates in β ladder)trans-89.3128.6175.8-62.9174.8000110.8T3 D29 F31 D47 I48 N49 L50T3-H5 PolarHBondContact O-CD2 2.9Å; H5-D29 WeakPolarHBondContact CA-O 3.38Å; H5-D29 IonicContact CD2-OD2 2.89Å; H5-D29 IonicContact NE2-OD2 3.42Å; H5-F31 HydrophobicContact CB-CD2 4.16Å; H5-F31 HydrophobicContact CB-CE2 3.81Å; H5-F31 AromaticContact CG-CE2 3.64Å; H5-F31 AromaticContact ND1-CE2 3.71Å; H5-D47 PolarHBondContact ND1-O 3.39Å; H5-I48 HydrophobicContact CB-CD1 4.04Å; H5-N49 PolarHBondContact N-OD1 3.42Å; H5-N49 PolarHBondContact O-N 2.91Å; H5-L50 PolarHBondContact O-N 3.24Å
6I98Very high92.7Very high0 Ų053.6 Ų53.60%028%0.278CS..EExtended strand (participates in β ladder)trans-113.7127.2175.6-59-179000108.9I8 F23 Y28 D29 V30 F31 L50 I52 L118I6-I8 HydrophobicContact CG2-CG1 4.42Å; I6-F23 HydrophobicContact CD1-CB 4.2Å; I6-F23 HydrophobicContact CD1-CD1 3.47Å; I6-F23 VanDerWaalsContact CD1-CD1 3.47Å; I6-F23 HydrophobicContact CD1-CE1 3.94Å; I6-F23 HydrophobicContact CD1-CG 3.82Å; I6-Y28 HydrophobicContact CD1-CD1 4.05Å; I6-Y28 HydrophobicContact CD1-CD2 3.73Å; I6-Y28 HydrophobicContact CD1-CE2 4.32Å; I6-Y28 HydrophobicContact CD1-CG 3.56Å; I6-Y28 HydrophobicContact CG1-CG 4.28Å; I6-D29 PolarHBondContact N-O 2.83Å; I6-V30 CarbonylContact O-C 3.59Å; I6-V30 WeakPolarHBondContact O-CA 3.34Å; I6-F31 PolarHBondContact O-N 2.81Å; I6-L50 CarbonylContact C-O 3.5Å; I6-L50 WeakPolarHBondContact CA-O 3.49Å; I6-L50 HydrophobicContact CD1-CD2 4.37Å; I6-L50 HydrophobicContact CG1-CB 4.38Å; I6-L50 HydrophobicContact CG1-CD2 4.49Å; I6-I52 HydrophobicContact CG2-CD1 3.88Å; I6-I52 HydrophobicContact CG2-CG1 4.2Å; I6-L118 HydrophobicContact CD1-CD1 3.84Å; I6-L118 HydrophobicContact CG1-CD1 4.11Å
7L98.6Very high93Very high0 Ų054.5 Ų54.50%028%0.283CS..EExtended strand (participates in β ladder)trans-100.4122.6170.4174.855.2000109.9V9 F31 A33 M39 I42 L43 I48 L50 V51 I52L7-V9 HydrophobicContact CD1-CG2 4.5Å; L7-V9 HydrophobicContact CD2-CG2 4.26Å; L7-V9 HydrophobicContact CG-CG2 3.95Å; L7-F31 WeakPolarHBondContact CA-O 3.32Å; L7-F31 HydrophobicContact CD1-CB 3.89Å; L7-A33 HydrophobicContact CD1-CB 4.06Å; L7-M39 HydrophobicContact CD2-CG 3.84Å; L7-I42 HydrophobicContact CD1-CB 4.4Å; L7-I42 HydrophobicContact CD1-CD1 3.72Å; L7-I42 HydrophobicContact CD1-CG2 4.06Å; L7-I42 HydrophobicContact CD2-CB 4.35Å; L7-I42 HydrophobicContact CD2-CG2 4.14Å; L7-L43 HydrophobicContact CD2-CD2 4.29Å; L7-L43 HydrophobicContact CD2-CG 4.04Å; L7-I48 HydrophobicContact CB-CD1 4.14Å; L7-I48 HydrophobicContact CB-CG1 4.15Å; L7-I48 HydrophobicContact CB-CG2 3.7Å; L7-I48 HydrophobicContact CD2-CG1 4.45Å; L7-L50 PolarHBondContact N-O 2.94Å; L7-V51 HydrophobicContact CB-CG2 4.36Å; L7-V51 HydrophobicContact CD2-CG2 4.47Å; L7-V51 CarbonylContact O-C 3.56Å; L7-V51 WeakPolarHBondContact O-CA 3.32Å; L7-I52 PolarHBondContact O-N 3.14Å
8I98.7Very high93.3Very high0 Ų054.8 Ų54.80%029%0.289CS..EExtended strand (participates in β ladder)trans-99121.8172.1-60.4163.7000108.3I6 E10 R16 L19 K20 F23 V30 F31 A33 I52I6-I8 HydrophobicContact CG2-CG1 4.42Å; I8-E10 HydrophobicContact CG2-CB 3.89Å; I8-R16 HydrophobicContact CG2-CG 4.15Å; I8-L19 HydrophobicContact CD1-CB 3.59Å; I8-L19 HydrophobicContact CG1-CB 4.33Å; I8-L19 HydrophobicContact CG2-CB 4.27Å; I8-L19 HydrophobicContact CG2-CD1 3.76Å; I8-K20 HydrophobicContact CD1-CB 4.32Å; I8-F23 HydrophobicContact CD1-CD2 4.35Å; I8-V30 HydrophobicContact CD1-CG1 3.41Å; I8-V30 VanDerWaalsContact CD1-CG1 3.41Å; I8-V30 HydrophobicContact CG1-CG1 4.1Å; I8-F31 PolarHBondContact N-O 3.05Å; I8-A33 PolarHBondContact O-N 3.45Å; I8-I52 WeakPolarHBondContact CA-O 3.27Å
9V98.6Very high93.6Very high0 Ų052 Ų520%027%0.274CS..EExtended strand (participates in β ladder)trans-11299175.3-165.50000108.3L7 A33 M39 V51 I52 M53 D54 L57L7-V9 HydrophobicContact CD1-CG2 4.5Å; L7-V9 HydrophobicContact CD2-CG2 4.26Å; L7-V9 HydrophobicContact CG-CG2 3.95Å; V9-A33 WeakPolarHBondContact CA-O 3.36Å; V9-A33 HydrophobicContact CG1-CB 4.28Å; V9-A33 HydrophobicContact CG2-CB 4.35Å; V9-M39 HydrophobicContact CG1-CB 4.24Å; V9-M39 HydrophobicContact CG1-SD 4.49Å; V9-M39 HydrophobicContact CG2-CB 4.07Å; V9-M39 HydrophobicContact CG2-CG 3.68Å; V9-M39 HydrophobicContact CG2-SD 4Å; V9-V51 HydrophobicContact CG2-CG1 3.97Å; V9-I52 PolarHBondContact N-O 3.08Å; V9-M53 HydrophobicContact CB-CB 4.46Å; V9-M53 HydrophobicContact CB-CG 4.22Å; V9-M53 HydrophobicContact CG2-CE 4.36Å; V9-D54 PolarHBondContact O-N 2.58Å; V9-L57 HydrophobicContact CB-CD1 4.43Å; V9-L57 HydrophobicContact CG1-CD1 3.54Å; V9-L57 HydrophobicContact CG1-CD2 4.18Å
10E98.3Very high93.8Very high3 Ų352.3 Ų52.31%0.01427%0.273CS..  trans-152.8128-169.8173.169-126.500108.7I8 E12 T15 R16 A33 K103I8-E10 HydrophobicContact CG2-CB 3.89Å; E10-E12 WeakPolarHBondContact OE1-CB 3.49Å; E10-E12 PolarHBondContact OE1-N 2.99Å; E10-T15 HydrophobicContact CG-CG2 3.92Å; E10-T15 WeakPolarHBondContact OE2-CG2 3.11Å; E10-R16 HydrophobicContact CB-CB 4.03Å; E10-R16 HydrophobicContact CB-CG 4.29Å; E10-R16 HydrophobicContact CG-CB 3.81Å; E10-R16 WeakPolarHBondContact O-CD 3.38Å; E10-R16 PolarHBondContact O-NH1 3.43Å; E10-A33 PolarHBondContact N-O 2.9Å; E10-K103 VanDerWaalsContact CD-NZ 3.25Å; E10-K103 IonicContact OE1-NZ 2.98Å; E10-K103 PolarHBondContact OE1-NZ 3.2Å; E10-K103 VanDerWaalsContact OE1-NZ 3.09Å; E10-K103 WeakPolarHBondContact OE2-CE 3.49Å; E10-K103 IonicContact OE2-NZ 3.03Å; E10-K103 PolarHBondContact OE2-NZ 3.17Å
11D97.7Very high94Very high68 Ų6853.3 Ų53.336%0.36428%0.284SS..SBendtrans-82.3-34.7-179.667.2-53.5000112.1L13 R16 L57 P58D11-L13 PolarHBondContact O-N 3.48Å; D11-R16 PolarHBondContact O-NH1 2.84Å; D11-L57 HydrophobicContact CB-CD2 4.32Å; D11-P58 VanDerWaalsContact CB-CD 3.45Å; D11-P58 HydrophobicContact CB-CG 4.03Å
12E97.4Very high96.1Very high81 Ų8145.2 Ų45.238%0.37924%0.244SC..  trans-74.8112.8-175.3-162.3-100.9106.200111.9E10 V14 T15 R16E10-E12 WeakPolarHBondContact OE1-CB 3.49Å; E10-E12 PolarHBondContact OE1-N 2.99Å; E12-V14 PolarHBondContact O-N 2.87Å; E12-V14 VanDerWaalsContact OE1-CA 3.25Å; E12-V14 WeakPolarHBondContact OE1-CA 3.4Å; E12-V14 WeakPolarHBondContact OE1-CB 3.32Å; E12-V14 PolarHBondContact OE1-N 3.28Å; E12-T15 PolarHBondContact O-N 3.38Å; E12-T15 PolarHBondContact OE1-N 3.09Å; E12-T15 WeakPolarHBondContact OE2-CB 3.29Å; E12-T15 PolarHBondContact OE2-N 3.28Å; E12-T15 PolarHBondContact OE2-OG1 2.9Å; E12-R16 WeakPolarHBondContact O-CB 3.49Å; E12-R16 PolarHBondContact O-N 3.06Å
13L97.7Very high97.2Very high100 Ų10038.5 Ų38.552%0.52421%0.213SC..Hα-helixtrans-57.7-39.8-170.9178.164.4000113.9D11 N17D11-L13 PolarHBondContact O-N 3.48Å; L13-N17 WeakPolarHBondContact CD1-ND2 3.32Å; L13-N17 VanDerWaalsContact O-CB 3.3Å; L13-N17 WeakPolarHBondContact O-CB 3.34Å; L13-N17 PolarHBondContact O-N 2.93Å; L13-N17 PolarHBondContact O-ND2 3.36Å
14V97.3Very high97.7Very high100 Ų10040.4 Ų40.461%0.60622%0.218SC*.Hα-helixtrans-72-44.3-177.6-176.80000109.8E12 T18E12-V14 PolarHBondContact O-N 2.87Å; E12-V14 VanDerWaalsContact OE1-CA 3.25Å; E12-V14 WeakPolarHBondContact OE1-CA 3.4Å; E12-V14 WeakPolarHBondContact OE1-CB 3.32Å; E12-V14 PolarHBondContact OE1-N 3.28Å; V14-T18 VanDerWaalsContact O-CB 3.29Å; V14-T18 WeakPolarHBondContact O-CB 3.42Å; V14-T18 PolarHBondContact O-N 3.43Å; V14-T18 PolarHBondContact O-OG1 3.46Å
15T97.4Very high97.9Very high22 Ų2242.8 Ų42.814%0.13524%0.241CC..Hα-helixtrans-60-47.3173.1-70.40000111.2E10 E12 N17 T18 L19E10-T15 HydrophobicContact CG-CG2 3.92Å; E10-T15 WeakPolarHBondContact OE2-CG2 3.11Å; E12-T15 PolarHBondContact O-N 3.38Å; E12-T15 PolarHBondContact OE1-N 3.09Å; E12-T15 WeakPolarHBondContact OE2-CB 3.29Å; E12-T15 PolarHBondContact OE2-N 3.28Å; E12-T15 PolarHBondContact OE2-OG1 2.9Å; T15-N17 PolarHBondContact O-N 2.86Å; T15-T18 WeakPolarHBondContact O-CB 3.3Å; T15-T18 PolarHBondContact O-N 2.87Å; T15-L19 HydrophobicContact CG2-CD1 3.8Å; T15-L19 HydrophobicContact CG2-CG 4.22Å; T15-L19 VanDerWaalsContact O-CG 3.28Å; T15-L19 WeakPolarHBondContact O-CG 3.37Å; T15-L19 PolarHBondContact O-N 2.8Å
16R98.2Very high97.9Very high27 Ų2745.4 Ų45.410%0.10225%0.253CS..Hα-helixtrans-60.2-48.7180-170.8170.260.3-99.82.8112.5I8 E10 D11 E12 T18 L19 K20 E32I8-R16 HydrophobicContact CG2-CG 4.15Å; E10-R16 HydrophobicContact CB-CB 4.03Å; E10-R16 HydrophobicContact CB-CG 4.29Å; E10-R16 HydrophobicContact CG-CB 3.81Å; E10-R16 WeakPolarHBondContact O-CD 3.38Å; E10-R16 PolarHBondContact O-NH1 3.43Å; D11-R16 PolarHBondContact O-NH1 2.84Å; E12-R16 WeakPolarHBondContact O-CB 3.49Å; E12-R16 PolarHBondContact O-N 3.06Å; R16-T18 VanDerWaalsContact C-N 3.29Å; R16-T18 PolarHBondContact O-N 3.3Å; R16-L19 PolarHBondContact O-N 2.94Å; R16-K20 PolarHBondContact O-N 3.02Å; R16-E32 HydrophobicContact CG-CG 4.27Å
17N98.1Very high97.7Very high69 Ų6947.8 Ų47.837%0.36928%0.278SS..Hα-helixtrans-60.9-38.1175.8-74.7-19.6000112.4L13 T15 S21L13-N17 WeakPolarHBondContact CD1-ND2 3.32Å; L13-N17 VanDerWaalsContact O-CB 3.3Å; L13-N17 WeakPolarHBondContact O-CB 3.34Å; L13-N17 PolarHBondContact O-N 2.93Å; L13-N17 PolarHBondContact O-ND2 3.36Å; T15-N17 PolarHBondContact O-N 2.86Å; N17-S21 WeakPolarHBondContact O-CB 3.28Å; N17-S21 PolarHBondContact O-N 3.2Å; N17-S21 PolarHBondContact O-OG 2.78Å
18T98Very high97.6Very high61 Ų6149 Ų4937%0.37428%0.283SS..Hα-helixtrans-64-46.8176.6-60.90000110.6V14 T15 R16 S21 I22V14-T18 VanDerWaalsContact O-CB 3.29Å; V14-T18 WeakPolarHBondContact O-CB 3.42Å; V14-T18 PolarHBondContact O-N 3.43Å; V14-T18 PolarHBondContact O-OG1 3.46Å; T15-T18 WeakPolarHBondContact O-CB 3.3Å; T15-T18 PolarHBondContact O-N 2.87Å; R16-T18 VanDerWaalsContact C-N 3.29Å; R16-T18 PolarHBondContact O-N 3.3Å; T18-S21 PolarHBondContact O-N 3.17Å; T18-I22 HydrophobicContact CG2-CD1 3.82Å; T18-I22 WeakPolarHBondContact O-CD1 3.11Å; T18-I22 WeakPolarHBondContact O-CG1 3.11Å; T18-I22 PolarHBondContact O-N 2.99Å
19L98.4Very high97.6Very high1 Ų152.7 Ų52.71%0.00530%0.302CS..Hα-helixtrans-62.7-46177.9-68.5170.5000111.6I8 T15 R16 S21 I22 F23 L80 F105 L110I8-L19 HydrophobicContact CD1-CB 3.59Å; I8-L19 HydrophobicContact CG1-CB 4.33Å; I8-L19 HydrophobicContact CG2-CB 4.27Å; I8-L19 HydrophobicContact CG2-CD1 3.76Å; T15-L19 HydrophobicContact CG2-CD1 3.8Å; T15-L19 HydrophobicContact CG2-CG 4.22Å; T15-L19 VanDerWaalsContact O-CG 3.28Å; T15-L19 WeakPolarHBondContact O-CG 3.37Å; T15-L19 PolarHBondContact O-N 2.8Å; R16-L19 PolarHBondContact O-N 2.94Å; L19-S21 PolarHBondContact O-N 3.16Å; L19-I22 PolarHBondContact O-N 3.01Å; L19-F23 HydrophobicContact CD2-CE2 4.5Å; L19-F23 WeakPolarHBondContact O-CD2 3.42Å; L19-F23 PolarHBondContact O-N 2.8Å; L19-L80 HydrophobicContact CD1-CD2 3.84Å; L19-L80 HydrophobicContact CD2-CD2 3.41Å; L19-L80 VanDerWaalsContact CD2-CD2 3.41Å; L19-L80 HydrophobicContact CG-CD2 4.22Å; L19-F105 HydrophobicContact CD2-CE1 4.3Å; L19-F105 HydrophobicContact CD2-CE2 3.96Å; L19-F105 HydrophobicContact CD2-CZ 3.56Å; L19-F105 HydrophobicContact CG-CZ 4.32Å; L19-L110 HydrophobicContact CD2-CD2 3.35Å
20K98.5Very high97.6Very high58 Ų5853.6 Ų53.625%0.25231%0.308SS..Hα-helixtrans-54.5-53.8175.1-177.9-171-164.5154.10111.3I8 R16 I22 F23 E24 V30 E32I8-K20 HydrophobicContact CD1-CB 4.32Å; R16-K20 PolarHBondContact O-N 3.02Å; K20-I22 VanDerWaalsContact C-N 3.26Å; K20-I22 PolarHBondContact O-N 2.82Å; K20-F23 PolarHBondContact O-N 2.99Å; K20-F23 VanDerWaalsContact O-N 3.11Å; K20-E24 WeakPolarHBondContact CE-OE1 3.43Å; K20-E24 HydrophobicContact CG-CG 4.12Å; K20-E24 WeakPolarHBondContact O-CB 3.18Å; K20-E24 WeakPolarHBondContact O-CG 3.3Å; K20-E24 PolarHBondContact O-N 3.09Å; K20-V30 HydrophobicContact CB-CG1 4.22Å; K20-V30 HydrophobicContact CG-CB 4.21Å; K20-V30 HydrophobicContact CG-CG1 3.97Å; K20-E32 HydrophobicContact CD-CG 4.49Å; K20-E32 WeakPolarHBondContact CD-OE2 3.35Å; K20-E32 WeakPolarHBondContact CE-OE2 3.39Å; K20-E32 IonicContact NZ-OE2 3.72Å; K20-E32 PolarHBondContact NZ-OE2 3.44Å
21S98.2Very high97.6Very high73 Ų7355.4 Ų55.451%0.5132%0.315SS..Hα-helixtrans-58.2-38.8-179.6-57.40000112.3N17 T18 L19 A25N17-S21 WeakPolarHBondContact O-CB 3.28Å; N17-S21 PolarHBondContact O-N 3.2Å; N17-S21 PolarHBondContact O-OG 2.78Å; T18-S21 PolarHBondContact O-N 3.17Å; L19-S21 PolarHBondContact O-N 3.16Å; S21-A25 WeakPolarHBondContact O-CB 3.29Å; S21-A25 PolarHBondContact O-N 2.9Å; S21-A25 VanDerWaalsContact O-N 3.15Å
22I98.2Very high97.6Very high27 Ų2754.8 Ų54.814%0.13831%0.311CS..Hα-helixtrans-63.7-46.1177.1-73.1163.9000111.2T18 L19 K20 E26 F105 P107 T111T18-I22 HydrophobicContact CG2-CD1 3.82Å; T18-I22 WeakPolarHBondContact O-CD1 3.11Å; T18-I22 WeakPolarHBondContact O-CG1 3.11Å; T18-I22 PolarHBondContact O-N 2.99Å; L19-I22 PolarHBondContact O-N 3.01Å; K20-I22 VanDerWaalsContact C-N 3.26Å; K20-I22 PolarHBondContact O-N 2.82Å; I22-E26 WeakPolarHBondContact O-CG 3.36Å; I22-E26 PolarHBondContact O-N 2.76Å; I22-F105 HydrophobicContact CD1-CE2 4.05Å; I22-P107 HydrophobicContact CD1-CB 3.78Å; I22-P107 HydrophobicContact CD1-CG 4.07Å; I22-P107 HydrophobicContact CG1-CB 4.25Å; I22-T111 HydrophobicContact CG2-CG2 3.26Å
23F98.2Very high97.7Very high0 Ų051 Ų510%029%0.293CS..Hα-helixtrans-80-35.3-175.3-74.8-62.9000113.6I6 I8 L19 K20 A25 E26 G27 Y28 V30 I52 L110 T111 A114I6-F23 HydrophobicContact CD1-CB 4.2Å; I6-F23 HydrophobicContact CD1-CD1 3.47Å; I6-F23 VanDerWaalsContact CD1-CD1 3.47Å; I6-F23 HydrophobicContact CD1-CE1 3.94Å; I6-F23 HydrophobicContact CD1-CG 3.82Å; I8-F23 HydrophobicContact CD1-CD2 4.35Å; L19-F23 HydrophobicContact CD2-CE2 4.5Å; L19-F23 WeakPolarHBondContact O-CD2 3.42Å; L19-F23 PolarHBondContact O-N 2.8Å; K20-F23 PolarHBondContact O-N 2.99Å; K20-F23 VanDerWaalsContact O-N 3.11Å; F23-A25 VanDerWaalsContact C-N 3.31Å; F23-A25 PolarHBondContact O-N 2.97Å; F23-E26 WeakPolarHBondContact O-CB 3.47Å; F23-E26 PolarHBondContact O-N 2.81Å; F23-E26 VanDerWaalsContact O-N 3.16Å; F23-G27 PolarHBondContact O-N 3.46Å; F23-Y28 HydrophobicContact CB-CD2 4.3Å; F23-Y28 AromaticContact CD1-CD2 3.84Å; F23-Y28 HydrophobicContact CD1-CD2 3.84Å; F23-Y28 HydrophobicContact CD1-CE2 4.19Å; F23-Y28 WeakPolarHBondContact O-CD2 3.2Å; F23-Y28 PolarHBondContact O-N 3.21Å; F23-V30 HydrophobicContact CB-CG2 3.56Å; F23-I52 HydrophobicContact CD2-CD1 4.07Å; F23-I52 HydrophobicContact CE1-CD1 4.22Å; F23-I52 HydrophobicContact CE2-CD1 3.11Å; F23-I52 HydrophobicContact CZ-CD1 3.2Å; F23-L110 HydrophobicContact CE2-CD2 3.93Å; F23-L110 HydrophobicContact CE2-CG 4.23Å; F23-L110 HydrophobicContact CZ-CD1 4.08Å; F23-L110 HydrophobicContact CZ-CD2 3.93Å; F23-L110 HydrophobicContact CZ-CG 3.71Å; F23-T111 HydrophobicContact CE1-CG2 4.36Å; F23-A114 HydrophobicContact CE1-CB 3.5Å; F23-A114 VanDerWaalsContact CE1-CB 3.5Å; F23-A114 HydrophobicContact CZ-CB 3.9Å
24E97.7Very high97.7Very high95 Ų9548.1 Ų48.144%0.44428%0.28SS..Hα-helixtrans-64.1-38.5172.2-71-178.4157.300111.1K20 E26 G27 V30K20-E24 WeakPolarHBondContact CE-OE1 3.43Å; K20-E24 HydrophobicContact CG-CG 4.12Å; K20-E24 WeakPolarHBondContact O-CB 3.18Å; K20-E24 WeakPolarHBondContact O-CG 3.3Å; K20-E24 PolarHBondContact O-N 3.09Å; E24-E26 PolarHBondContact O-N 3.33Å; E24-G27 WeakPolarHBondContact O-CA 3.35Å; E24-G27 PolarHBondContact O-N 3.39Å; E24-V30 HydrophobicContact CG-CB 4.15Å; E24-V30 HydrophobicContact CG-CG2 3.78Å
25A96.8Very high97.7Very high87 Ų8745.9 Ų45.972%0.71926%0.264SS*.Hα-helixtrans-65-25.5174.600000113.3S21 F23 G27S21-A25 WeakPolarHBondContact O-CB 3.29Å; S21-A25 PolarHBondContact O-N 2.9Å; S21-A25 VanDerWaalsContact O-N 3.15Å; F23-A25 VanDerWaalsContact C-N 3.31Å; F23-A25 PolarHBondContact O-N 2.97Å; A25-G27 VanDerWaalsContact C-N 3.26Å
26E95.1Very high97.6Very high82 Ų8245.2 Ų45.238%0.38326%0.262SS..THydrogen-bonded Turntrans-83.3-1.7172-72.1-76.2152.200112.9I22 F23 E24 Y28 T111 R115I22-E26 WeakPolarHBondContact O-CG 3.36Å; I22-E26 PolarHBondContact O-N 2.76Å; F23-E26 WeakPolarHBondContact O-CB 3.47Å; F23-E26 PolarHBondContact O-N 2.81Å; F23-E26 VanDerWaalsContact O-N 3.16Å; E24-E26 PolarHBondContact O-N 3.33Å; E26-Y28 HydrophobicContact CB-CD2 3.68Å; E26-Y28 HydrophobicContact CB-CE2 3.59Å; E26-T111 HydrophobicContact CG-CG2 3.65Å; E26-R115 IonicContact OE1-NH2 3.2Å; E26-R115 IonicContact OE2-CZ 2.64Å; E26-R115 IonicContact OE2-NH2 3.73Å; E26-R115 PolarHBondContact OE2-NH2 3.05Å
27G95.1Very high97.6Very high50 Ų5047.3 Ų47.352%0.51529%0.285SS..THydrogen-bonded Turntrans83.522.9176.900000114.6T3 F23 E24 A25T3-G27 WeakPolarHBondContact CG2-O 3.49Å; F23-G27 PolarHBondContact O-N 3.46Å; E24-G27 WeakPolarHBondContact O-CA 3.35Å; E24-G27 PolarHBondContact O-N 3.39Å; A25-G27 VanDerWaalsContact C-N 3.26Å
28Y96.9Very high97.6Very high26 Ų2647.8 Ų47.810%0.10229%0.285CS..  trans-92150.1171.8-58.7-72.1000111.5P4 I6 F23 E26 L118P4-Y28 HydrophobicContact CB-CD1 4.04Å; P4-Y28 HydrophobicContact CB-CE1 4.32Å; P4-Y28 HydrophobicContact CG-CD1 4.17Å; P4-Y28 HydrophobicContact CG-CE1 4.13Å; I6-Y28 HydrophobicContact CD1-CD1 4.05Å; I6-Y28 HydrophobicContact CD1-CD2 3.73Å; I6-Y28 HydrophobicContact CD1-CE2 4.32Å; I6-Y28 HydrophobicContact CD1-CG 3.56Å; I6-Y28 HydrophobicContact CG1-CG 4.28Å; F23-Y28 HydrophobicContact CB-CD2 4.3Å; F23-Y28 AromaticContact CD1-CD2 3.84Å; F23-Y28 HydrophobicContact CD1-CD2 3.84Å; F23-Y28 HydrophobicContact CD1-CE2 4.19Å; F23-Y28 WeakPolarHBondContact O-CD2 3.2Å; F23-Y28 PolarHBondContact O-N 3.21Å; E26-Y28 HydrophobicContact CB-CD2 3.68Å; E26-Y28 HydrophobicContact CB-CE2 3.59Å; Y28-L118 HydrophobicContact CD1-CD1 3.96Å; Y28-L118 HydrophobicContact CE1-CD1 3.48Å; Y28-L118 VanDerWaalsContact CE1-CD1 3.48Å
29D97.3Very high97.6Very high76 Ų7644.9 Ų44.941%0.40627%0.267SS..EExtended strand (participates in β ladder)trans-83.5125.9168.8-64.6-42.8000108.6T3 P4 H5 I6T3-D29 WeakPolarHBondContact CB-OD2 3.27Å; T3-D29 HydrophobicContact CG2-CB 4.38Å; T3-D29 WeakPolarHBondContact CG2-OD2 3.29Å; P4-D29 PolarHBondContact O-N 3Å; H5-D29 WeakPolarHBondContact CA-O 3.38Å; H5-D29 IonicContact CD2-OD2 2.89Å; H5-D29 IonicContact NE2-OD2 3.42Å; I6-D29 PolarHBondContact N-O 2.83Å
30V98.5Very high97.5Very high20 Ų2047.3 Ų47.312%0.12128%0.278CS..EExtended strand (participates in β ladder)trans-113.8126.8-171.7-178.80000111I6 I8 K20 F23 E24 E32I6-V30 CarbonylContact O-C 3.59Å; I6-V30 WeakPolarHBondContact O-CA 3.34Å; I8-V30 HydrophobicContact CD1-CG1 3.41Å; I8-V30 VanDerWaalsContact CD1-CG1 3.41Å; I8-V30 HydrophobicContact CG1-CG1 4.1Å; K20-V30 HydrophobicContact CB-CG1 4.22Å; K20-V30 HydrophobicContact CG-CB 4.21Å; K20-V30 HydrophobicContact CG-CG1 3.97Å; F23-V30 HydrophobicContact CB-CG2 3.56Å; E24-V30 HydrophobicContact CG-CB 4.15Å; E24-V30 HydrophobicContact CG-CG2 3.78Å; V30-E32 HydrophobicContact CG1-CG 4.4Å
31F98.6Very high97.5Very high40 Ų4049.8 Ų49.818%0.17529%0.291CS..EExtended strand (participates in β ladder)trans-104.8149.3168.3-62.7-92000109.6H5 I6 L7 I8 I42 Y46 I48H5-F31 HydrophobicContact CB-CD2 4.16Å; H5-F31 HydrophobicContact CB-CE2 3.81Å; H5-F31 AromaticContact CG-CE2 3.64Å; H5-F31 AromaticContact ND1-CE2 3.71Å; I6-F31 PolarHBondContact O-N 2.81Å; L7-F31 WeakPolarHBondContact CA-O 3.32Å; L7-F31 HydrophobicContact CD1-CB 3.89Å; I8-F31 PolarHBondContact N-O 3.05Å; F31-I42 HydrophobicContact CB-CD1 4.32Å; F31-I42 HydrophobicContact CB-CG2 3.8Å; F31-I42 HydrophobicContact CD1-CG2 4.01Å; F31-I42 HydrophobicContact CG-CG2 3.96Å; F31-Y46 AromaticContact CD1-CD2 4Å; F31-Y46 HydrophobicContact CD1-CD2 4Å; F31-Y46 HydrophobicContact CD1-CE2 4.14Å; F31-Y46 HydrophobicContact CD1-CG 4.26Å; F31-Y46 AromaticContact CE1-CD1 3.52Å; F31-Y46 HydrophobicContact CE1-CD1 3.52Å; F31-Y46 AromaticContact CE1-CD2 3.6Å; F31-Y46 HydrophobicContact CE1-CD2 3.6Å; F31-Y46 AromaticContact CE1-CE1 3.55Å; F31-Y46 HydrophobicContact CE1-CE1 3.55Å; F31-Y46 AromaticContact CE1-CE2 3.65Å; F31-Y46 HydrophobicContact CE1-CE2 3.65Å; F31-Y46 AromaticContact CE1-CG 3.55Å; F31-Y46 HydrophobicContact CE1-CG 3.55Å; F31-Y46 AromaticContact CE1-CZ 3.63Å; F31-Y46 HydrophobicContact CE2-CD1 4.44Å; F31-Y46 HydrophobicContact CE2-CG 4.42Å; F31-Y46 AromaticContact CZ-CD1 3.41Å; F31-Y46 HydrophobicContact CZ-CD1 3.41Å; F31-Y46 VanDerWaalsContact CZ-CD1 3.41Å; F31-Y46 HydrophobicContact CZ-CD2 4.19Å; F31-Y46 AromaticContact CZ-CE1 3.78Å; F31-Y46 HydrophobicContact CZ-CE1 3.78Å; F31-Y46 AromaticContact CZ-CG 3.65Å; F31-Y46 HydrophobicContact CZ-CG 3.65Å; F31-I48 HydrophobicContact CB-CD1 4.48Å; F31-I48 HydrophobicContact CD2-CD1 3.7Å; F31-I48 HydrophobicContact CE2-CD1 4.2Å; F31-I48 HydrophobicContact CG-CD1 4.16Å
32E98.6Very high97.5Very high56 Ų5647.3 Ų47.326%0.26227%0.272SS..EExtended strand (participates in β ladder)trans-128.5133.4-173.3-68.7177.6108.100109.9R16 K20 V30 I42R16-E32 HydrophobicContact CG-CG 4.27Å; K20-E32 HydrophobicContact CD-CG 4.49Å; K20-E32 WeakPolarHBondContact CD-OE2 3.35Å; K20-E32 WeakPolarHBondContact CE-OE2 3.39Å; K20-E32 IonicContact NZ-OE2 3.72Å; K20-E32 PolarHBondContact NZ-OE2 3.44Å; V30-E32 HydrophobicContact CG1-CG 4.4Å; E32-I42 WeakPolarHBondContact O-CD1 3.3Å
33A98.4Very high97.4Very high0 Ų047.9 Ų47.90%028%0.275CS..EExtended strand (participates in β ladder)trans-133143.4171.600000109.8L7 I8 V9 E10 E38 M39 I42L7-A33 HydrophobicContact CD1-CB 4.06Å; I8-A33 PolarHBondContact O-N 3.45Å; V9-A33 WeakPolarHBondContact CA-O 3.36Å; V9-A33 HydrophobicContact CG1-CB 4.28Å; V9-A33 HydrophobicContact CG2-CB 4.35Å; E10-A33 PolarHBondContact N-O 2.9Å; A33-E38 HydrophobicContact CB-CB 3.73Å; A33-M39 HydrophobicContact CB-CB 4.1Å; A33-I42 HydrophobicContact CB-CD1 4.21Å
34T97.8Very high97.2Very high41 Ų4152.5 Ų52.525%0.25231%0.307SS..SBendtrans-101.5-17.2178.662.20000113E38T34-E38 WeakPolarHBondContact CB-OE2 3.31Å; T34-E38 PolarHBondContact N-OE2 3.01Å; T34-E38 PolarHBondContact OG1-OE2 3.38Å
35D97.4Very high97.2Very high52 Ų5253 Ų5328%0.27831%0.309SS..SBendtrans-151.2-176.9178.168.726.5000112A37 E38 M39 P58D35-A37 VanDerWaalsContact C-N 3.33Å; D35-A37 PolarHBondContact O-N 3.41Å; D35-A37 WeakPolarHBondContact OD1-CA 3.36Å; D35-A37 WeakPolarHBondContact OD1-CB 3.38Å; D35-A37 PolarHBondContact OD1-N 3.14Å; D35-E38 PolarHBondContact OD1-N 2.87Å; D35-M39 WeakPolarHBondContact O-CB 3.4Å; D35-M39 PolarHBondContact O-N 3.42Å; D35-M39 VanDerWaalsContact O-N 3.14Å; D35-P58 HydrophobicContact CB-CG 4.36Å
36G96.7Very high97.1Very high9 Ų953.7 Ų53.79%0.09329%0.294CS..Hα-helixtrans-66.9-28.5178.700000114.9H40G36-H40 WeakPolarHBondContact O-CB 3.48Å; G36-H40 PolarHBondContact O-CD2 2.93Å; G36-H40 PolarHBondContact O-N 2.96Å
37A96.9Very high97Very high71 Ų7156.3 Ų56.359%0.58731%0.311SS*.Hα-helixtrans-71.8-47-17900000110.6D35 M39 H40 Q41D35-A37 VanDerWaalsContact C-N 3.33Å; D35-A37 PolarHBondContact O-N 3.41Å; D35-A37 WeakPolarHBondContact OD1-CA 3.36Å; D35-A37 WeakPolarHBondContact OD1-CB 3.38Å; D35-A37 PolarHBondContact OD1-N 3.14Å; A37-M39 VanDerWaalsContact C-N 3.33Å; A37-M39 PolarHBondContact O-N 3.09Å; A37-H40 PolarHBondContact O-N 3.43Å; A37-Q41 WeakPolarHBondContact O-CB 3.4Å; A37-Q41 PolarHBondContact O-N 2.87Å
38E98.1Very high97Very high79 Ų7954.8 Ų54.837%0.36929%0.291SS..Hα-helixtrans-63-40.1174.5-70-177.716700111.5A33 T34 D35 Q41 I42A33-E38 HydrophobicContact CB-CB 3.73Å; T34-E38 WeakPolarHBondContact CB-OE2 3.31Å; T34-E38 PolarHBondContact N-OE2 3.01Å; T34-E38 PolarHBondContact OG1-OE2 3.38Å; D35-E38 PolarHBondContact OD1-N 2.87Å; E38-Q41 PolarHBondContact O-N 2.84Å; E38-I42 WeakPolarHBondContact O-CG1 3.43Å; E38-I42 PolarHBondContact O-N 3.4Å
39M97.9Very high96.9Very high0 Ų056.5 Ų56.50%030%0.302CS..Hα-helixtrans-57.5-52175.6-179.7-163.178.700111.5L7 V9 A33 D35 A37 Q41 I42 L43 M53 L65L7-M39 HydrophobicContact CD2-CG 3.84Å; V9-M39 HydrophobicContact CG1-CB 4.24Å; V9-M39 HydrophobicContact CG1-SD 4.49Å; V9-M39 HydrophobicContact CG2-CB 4.07Å; V9-M39 HydrophobicContact CG2-CG 3.68Å; V9-M39 HydrophobicContact CG2-SD 4Å; A33-M39 HydrophobicContact CB-CB 4.1Å; D35-M39 WeakPolarHBondContact O-CB 3.4Å; D35-M39 PolarHBondContact O-N 3.42Å; D35-M39 VanDerWaalsContact O-N 3.14Å; A37-M39 VanDerWaalsContact C-N 3.33Å; A37-M39 PolarHBondContact O-N 3.09Å; M39-Q41 VanDerWaalsContact C-N 3.32Å; M39-Q41 PolarHBondContact O-N 3.18Å; M39-I42 PolarHBondContact O-N 3.35Å; M39-L43 HydrophobicContact CE-CD1 4.16Å; M39-L43 HydrophobicContact CG-CD1 3.86Å; M39-L43 VanDerWaalsContact O-CG 3.31Å; M39-L43 WeakPolarHBondContact O-CG 3.37Å; M39-L43 PolarHBondContact O-N 2.69Å; M39-L43 HydrophobicContact SD-CD1 4.42Å; M39-M53 HydrophobicContact SD-CE 3.33Å; M39-M53 WeakPolarHBondContact SD-CE 3.3Å; M39-L65 HydrophobicContact CE-CB 3.99Å; M39-L65 HydrophobicContact CE-CD2 3.86Å; M39-L65 HydrophobicContact CE-CG 4.37Å; M39-L65 HydrophobicContact SD-CB 4.16Å; M39-L65 HydrophobicContact SD-CD1 4.43Å
40H96.9Very high96.8Very high52 Ų5252.9 Ų52.924%0.24128%0.282CS..Hα-helixtrans-65-36.7-179.1-76.7-52.6000112G36 A37 L43 S44 E68G36-H40 WeakPolarHBondContact O-CB 3.48Å; G36-H40 PolarHBondContact O-CD2 2.93Å; G36-H40 PolarHBondContact O-N 2.96Å; A37-H40 PolarHBondContact O-N 3.43Å; H40-L43 PolarHBondContact O-N 3.43Å; H40-S44 PolarHBondContact O-N 2.89Å; H40-S44 VanDerWaalsContact O-N 3.14Å; H40-E68 IonicContact CE1-OE2 2.66Å; H40-E68 IonicContact NE2-OE2 2.87Å; H40-E68 PolarHBondContact NE2-OE2 2.72Å
41Q97.5Very high96.8Very high109 Ų10952 Ų5251%0.50928%0.277SS..Hα-helixtrans-60-51.2174.1-177.6177.6-7.200111.1A37 E38 M39 L43 S44 E45A37-Q41 WeakPolarHBondContact O-CB 3.4Å; A37-Q41 PolarHBondContact O-N 2.87Å; E38-Q41 PolarHBondContact O-N 2.84Å; M39-Q41 VanDerWaalsContact C-N 3.32Å; M39-Q41 PolarHBondContact O-N 3.18Å; Q41-L43 VanDerWaalsContact C-N 3.35Å; Q41-L43 PolarHBondContact O-N 2.86Å; Q41-S44 PolarHBondContact O-N 3.32Å; Q41-S44 VanDerWaalsContact O-N 3.08Å; Q41-S44 PolarHBondContact O-OG 3.02Å; Q41-E45 WeakPolarHBondContact CG-OE1 3.32Å; Q41-E45 PolarHBondContact NE2-OE1 3.01Å; Q41-E45 PolarHBondContact O-N 3.08Å
42I98Very high96.8Very high21 Ų2150.2 Ų50.211%0.10827%0.269CS..Hα-helixtrans-62.3-42.4-179.3-68.2163000111.3L7 F31 E32 A33 E38 M39 S44 E45 Y46 I48L7-I42 HydrophobicContact CD1-CB 4.4Å; L7-I42 HydrophobicContact CD1-CD1 3.72Å; L7-I42 HydrophobicContact CD1-CG2 4.06Å; L7-I42 HydrophobicContact CD2-CB 4.35Å; L7-I42 HydrophobicContact CD2-CG2 4.14Å; F31-I42 HydrophobicContact CB-CD1 4.32Å; F31-I42 HydrophobicContact CB-CG2 3.8Å; F31-I42 HydrophobicContact CD1-CG2 4.01Å; F31-I42 HydrophobicContact CG-CG2 3.96Å; E32-I42 WeakPolarHBondContact O-CD1 3.3Å; A33-I42 HydrophobicContact CB-CD1 4.21Å; E38-I42 WeakPolarHBondContact O-CG1 3.43Å; E38-I42 PolarHBondContact O-N 3.4Å; M39-I42 PolarHBondContact O-N 3.35Å; I42-S44 PolarHBondContact O-N 2.83Å; I42-E45 PolarHBondContact O-N 3.01Å; I42-E45 VanDerWaalsContact O-N 3.1Å; I42-Y46 HydrophobicContact CG2-CD2 3.96Å; I42-Y46 WeakPolarHBondContact O-CD2 3.49Å; I42-Y46 PolarHBondContact O-N 3.44Å; I42-I48 HydrophobicContact CG2-CD1 3.92Å; I42-I48 HydrophobicContact CG2-CG1 4.24Å
43L96.4Very high96.8Very high39 Ų3947.5 Ų47.520%0.20426%0.257CS..Hα-helixtrans-62.5-25.3177.1-72.5166.5000113.2L7 M39 H40 Q41 I48 V51 L69L7-L43 HydrophobicContact CD2-CD2 4.29Å; L7-L43 HydrophobicContact CD2-CG 4.04Å; M39-L43 HydrophobicContact CE-CD1 4.16Å; M39-L43 HydrophobicContact CG-CD1 3.86Å; M39-L43 VanDerWaalsContact O-CG 3.31Å; M39-L43 WeakPolarHBondContact O-CG 3.37Å; M39-L43 PolarHBondContact O-N 2.69Å; M39-L43 HydrophobicContact SD-CD1 4.42Å; H40-L43 PolarHBondContact O-N 3.43Å; Q41-L43 VanDerWaalsContact C-N 3.35Å; Q41-L43 PolarHBondContact O-N 2.86Å; L43-I48 HydrophobicContact CD2-CB 3.94Å; L43-I48 HydrophobicContact CD2-CG1 3.87Å; L43-V51 HydrophobicContact CD2-CG2 4.35Å; L43-L69 HydrophobicContact CD1-CD1 3.55Å; L43-L69 HydrophobicContact CD2-CD1 4.12Å
44S95.5Very high96.8Very high97 Ų9748 Ų4868%0.67826%0.259SS*.Hα-helixtrans-82.1-22.1175.977.70000113.8H40 Q41 I42H40-S44 PolarHBondContact O-N 2.89Å; H40-S44 VanDerWaalsContact O-N 3.14Å; Q41-S44 PolarHBondContact O-N 3.32Å; Q41-S44 VanDerWaalsContact O-N 3.08Å; Q41-S44 PolarHBondContact O-OG 3.02Å; I42-S44 PolarHBondContact O-N 2.83Å
45E96.3Very high96.7Very high106 Ų10646 Ų4650%0.49525%0.247SC..Hα-helixtrans-101.2-26.4-175.3-69.2178-162.200113Q41 I42Q41-E45 WeakPolarHBondContact CG-OE1 3.32Å; Q41-E45 PolarHBondContact NE2-OE1 3.01Å; Q41-E45 PolarHBondContact O-N 3.08Å; I42-E45 PolarHBondContact O-N 3.01Å; I42-E45 VanDerWaalsContact O-N 3.1Å
46Y95.5Very high96.6Very high101 Ų10147 Ų4740%0.39625%0.252SS..SBendtrans-134.7142.7-171.3-56-85.1000113.1F31 I42 I48F31-Y46 AromaticContact CD1-CD2 4Å; F31-Y46 HydrophobicContact CD1-CD2 4Å; F31-Y46 HydrophobicContact CD1-CE2 4.14Å; F31-Y46 HydrophobicContact CD1-CG 4.26Å; F31-Y46 AromaticContact CE1-CD1 3.52Å; F31-Y46 HydrophobicContact CE1-CD1 3.52Å; F31-Y46 AromaticContact CE1-CD2 3.6Å; F31-Y46 HydrophobicContact CE1-CD2 3.6Å; F31-Y46 AromaticContact CE1-CE1 3.55Å; F31-Y46 HydrophobicContact CE1-CE1 3.55Å; F31-Y46 AromaticContact CE1-CE2 3.65Å; F31-Y46 HydrophobicContact CE1-CE2 3.65Å; F31-Y46 AromaticContact CE1-CG 3.55Å; F31-Y46 HydrophobicContact CE1-CG 3.55Å; F31-Y46 AromaticContact CE1-CZ 3.63Å; F31-Y46 HydrophobicContact CE2-CD1 4.44Å; F31-Y46 HydrophobicContact CE2-CG 4.42Å; F31-Y46 AromaticContact CZ-CD1 3.41Å; F31-Y46 HydrophobicContact CZ-CD1 3.41Å; F31-Y46 VanDerWaalsContact CZ-CD1 3.41Å; F31-Y46 HydrophobicContact CZ-CD2 4.19Å; F31-Y46 AromaticContact CZ-CE1 3.78Å; F31-Y46 HydrophobicContact CZ-CE1 3.78Å; F31-Y46 AromaticContact CZ-CG 3.65Å; F31-Y46 HydrophobicContact CZ-CG 3.65Å; I42-Y46 HydrophobicContact CG2-CD2 3.96Å; I42-Y46 WeakPolarHBondContact O-CD2 3.49Å; I42-Y46 PolarHBondContact O-N 3.44Å; Y46-I48 PolarHBondContact O-N 3.26Å
47D92.9Very high96.6Very high138 Ų13847.2 Ų47.274%0.73825%0.251SS*.  trans-74.387.6171-74.8-35.9000111.1H5H5-D47 PolarHBondContact ND1-O 3.39Å
48I95.7Very high96.4Very high18 Ų1847 Ų479%0.09224%0.244CC..  trans-75.4134.9177.5-57.3-54.1000110.9H5 L7 F31 I42 L43 Y46 L50 V51 V75H5-I48 HydrophobicContact CB-CD1 4.04Å; L7-I48 HydrophobicContact CB-CD1 4.14Å; L7-I48 HydrophobicContact CB-CG1 4.15Å; L7-I48 HydrophobicContact CB-CG2 3.7Å; L7-I48 HydrophobicContact CD2-CG1 4.45Å; F31-I48 HydrophobicContact CB-CD1 4.48Å; F31-I48 HydrophobicContact CD2-CD1 3.7Å; F31-I48 HydrophobicContact CE2-CD1 4.2Å; F31-I48 HydrophobicContact CG-CD1 4.16Å; I42-I48 HydrophobicContact CG2-CD1 3.92Å; I42-I48 HydrophobicContact CG2-CG1 4.24Å; L43-I48 HydrophobicContact CD2-CB 3.94Å; L43-I48 HydrophobicContact CD2-CG1 3.87Å; Y46-I48 PolarHBondContact O-N 3.26Å; I48-L50 VanDerWaalsContact CG2-O 3.3Å; I48-L50 WeakPolarHBondContact CG2-O 3.34Å; I48-V51 HydrophobicContact CG2-CG2 3.88Å; I48-V75 HydrophobicContact CB-CG2 4.49Å; I48-V75 HydrophobicContact CG2-CG2 4.11Å; I48-V75 WeakPolarHBondContact O-CG2 3.43Å
49N94Very high96.2Very high62 Ų6247.7 Ų47.733%0.33227%0.272SS..SBendtrans-101-27.2-179.8-52.7130.9000113.5P4 H5 V75 A76 L118P4-N49 WeakPolarHBondContact CA-OD1 3.39Å; P4-N49 HydrophobicContact CB-CB 4.28Å; P4-N49 WeakPolarHBondContact CB-OD1 3.35Å; H5-N49 PolarHBondContact N-OD1 3.42Å; H5-N49 PolarHBondContact O-N 2.91Å; N49-V75 VanDerWaalsContact C-CG2 3.48Å; N49-A76 WeakPolarHBondContact O-CB 3.46Å; N49-A76 PolarHBondContact O-N 3.39Å; N49-L118 HydrophobicContact CB-CD2 3.6Å
50L96Very high95.9Very high0 Ų051.6 Ų51.60%029%0.289CS..EExtended strand (participates in β ladder)trans-144131.3175.4171.765.1000109.8H5 I6 L7 I48 I52 A76 M78 A114 L117 L118H5-L50 PolarHBondContact O-N 3.24Å; I6-L50 CarbonylContact C-O 3.5Å; I6-L50 WeakPolarHBondContact CA-O 3.49Å; I6-L50 HydrophobicContact CD1-CD2 4.37Å; I6-L50 HydrophobicContact CG1-CB 4.38Å; I6-L50 HydrophobicContact CG1-CD2 4.49Å; L7-L50 PolarHBondContact N-O 2.94Å; I48-L50 VanDerWaalsContact CG2-O 3.3Å; I48-L50 WeakPolarHBondContact CG2-O 3.34Å; L50-I52 HydrophobicContact CD2-CD1 4.16Å; L50-I52 HydrophobicContact CD2-CG1 4.08Å; L50-I52 HydrophobicContact CG-CG1 4.04Å; L50-A76 CarbonylContact C-O 3.54Å; L50-A76 WeakPolarHBondContact CA-O 3.45Å; L50-A76 HydrophobicContact CB-CB 4.39Å; L50-A76 HydrophobicContact CD1-CB 3.75Å; L50-A76 WeakPolarHBondContact CD1-O 3.39Å; L50-M78 HydrophobicContact CD1-CB 4.22Å; L50-A114 HydrophobicContact CD2-CB 3.64Å; L50-L117 HydrophobicContact CD1-CD1 3.97Å; L50-L118 HydrophobicContact CB-CD2 3.66Å; L50-L118 HydrophobicContact CB-CG 4.18Å; L50-L118 HydrophobicContact CD2-CD1 4.19Å; L50-L118 HydrophobicContact CD2-CG 4.26Å
51V97.9Very high95.8Very high0 Ų052.1 Ų52.10%029%0.293CS..EExtended strand (participates in β ladder)trans-103.6127.7167.5-179.30000108.5L7 V9 L43 I48 M53 L69 V75 A76 L77 M78L7-V51 HydrophobicContact CB-CG2 4.36Å; L7-V51 HydrophobicContact CD2-CG2 4.47Å; L7-V51 CarbonylContact O-C 3.56Å; L7-V51 WeakPolarHBondContact O-CA 3.32Å; V9-V51 HydrophobicContact CG2-CG1 3.97Å; L43-V51 HydrophobicContact CD2-CG2 4.35Å; I48-V51 HydrophobicContact CG2-CG2 3.88Å; V51-M53 HydrophobicContact CG1-CB 4.26Å; V51-M53 HydrophobicContact CG1-CE 3.75Å; V51-L69 HydrophobicContact CB-CD2 4.1Å; V51-L69 HydrophobicContact CG1-CD2 4.29Å; V51-L69 HydrophobicContact CG2-CD2 3.94Å; V51-V75 HydrophobicContact CG2-CG1 3.83Å; V51-V75 HydrophobicContact CG2-CG2 4.13Å; V51-A76 PolarHBondContact N-O 3.15Å; V51-L77 HydrophobicContact CB-CD1 4.05Å; V51-L77 HydrophobicContact CG1-CD1 4.03Å; V51-M78 PolarHBondContact O-N 3.24Å
52I98.3Very high95.8Very high3 Ų346.9 Ų46.92%0.01527%0.269CS..EExtended strand (participates in β ladder)trans-110116.6170.3-58.5176.3000106.8I6 L7 I8 V9 F23 L50 M78 L80I6-I52 HydrophobicContact CG2-CD1 3.88Å; I6-I52 HydrophobicContact CG2-CG1 4.2Å; L7-I52 PolarHBondContact O-N 3.14Å; I8-I52 WeakPolarHBondContact CA-O 3.27Å; V9-I52 PolarHBondContact N-O 3.08Å; F23-I52 HydrophobicContact CD2-CD1 4.07Å; F23-I52 HydrophobicContact CE1-CD1 4.22Å; F23-I52 HydrophobicContact CE2-CD1 3.11Å; F23-I52 HydrophobicContact CZ-CD1 3.2Å; L50-I52 HydrophobicContact CD2-CD1 4.16Å; L50-I52 HydrophobicContact CD2-CG1 4.08Å; L50-I52 HydrophobicContact CG-CG1 4.04Å; I52-M78 WeakPolarHBondContact CA-O 3.37Å; I52-L80 HydrophobicContact CG2-CB 3.79Å; I52-L80 HydrophobicContact CG2-CD2 4.19Å
53M98.4Very high95.7Very high0 Ų046.7 Ų46.70%027%0.268CS..EExtended strand (participates in β ladder)trans-126.4130.9-167.1-174.3175.9-62.900111.1V9 M39 V51 L57 L65 A66 L69 L77 M78 F79 L80V9-M53 HydrophobicContact CB-CB 4.46Å; V9-M53 HydrophobicContact CB-CG 4.22Å; V9-M53 HydrophobicContact CG2-CE 4.36Å; M39-M53 HydrophobicContact SD-CE 3.33Å; M39-M53 WeakPolarHBondContact SD-CE 3.3Å; V51-M53 HydrophobicContact CG1-CB 4.26Å; V51-M53 HydrophobicContact CG1-CE 3.75Å; M53-L57 HydrophobicContact CG-CD1 4.19Å; M53-L65 HydrophobicContact CE-CB 4.12Å; M53-L65 HydrophobicContact SD-CB 3.9Å; M53-A66 HydrophobicContact SD-CB 4.13Å; M53-L69 HydrophobicContact CE-CD2 4.41Å; M53-L77 HydrophobicContact CB-CD1 4.13Å; M53-L77 HydrophobicContact CE-CD1 4.23Å; M53-M78 PolarHBondContact N-O 2.95Å; M53-F79 HydrophobicContact CB-CD1 4.23Å; M53-F79 HydrophobicContact CB-CE1 4.32Å; M53-F79 HydrophobicContact CG-CD1 4.47Å; M53-F79 HydrophobicContact CG-CE1 4.2Å; M53-F79 WeakPolarHBondContact O-CA 3.36Å; M53-F79 WeakPolarHBondContact O-CD1 3.32Å; M53-F79 HydrophobicContact SD-CE1 4.05Å; M53-L80 PolarHBondContact O-N 2.65Å
54D97.8Very high95.6Very high9 Ų948.8 Ų48.85%0.04828%0.279CS..  trans-77.9147.9161.6-161.4-5.5000110.3V9 N56 L57 G62 L80 T81 K103V9-D54 PolarHBondContact O-N 2.58Å; D54-N56 PolarHBondContact OD1-N 2.84Å; D54-L57 HydrophobicContact CB-CD2 4.4Å; D54-L57 VanDerWaalsContact O-CD1 3.23Å; D54-L57 WeakPolarHBondContact O-CD1 3.49Å; D54-L57 WeakPolarHBondContact O-CG 3.24Å; D54-G62 WeakPolarHBondContact O-CA 3.43Å; D54-L80 WeakPolarHBondContact CA-O 3.2Å; D54-T81 WeakPolarHBondContact OD1-CA 3.2Å; D54-T81 WeakPolarHBondContact OD1-CB 3.42Å; D54-T81 PolarHBondContact OD1-OG1 3.46Å; D54-K103 IonicContact OD2-NZ 2.72Å; D54-K103 PolarHBondContact OD2-NZ 3.2Å
55I96.8Very high95.7Very high0 Ų044.2 Ų44.20%025%0.247CC..SBendtrans-76.8-38.3171.9-66.6-177.8000110.9L57 G62 L63 F79 T81 R83 Y100I55-L57 VanDerWaalsContact C-N 3.27Å; I55-L57 PolarHBondContact O-N 2.92Å; I55-G62 PolarHBondContact O-N 3.35Å; I55-L63 HydrophobicContact CD1-CD1 4.33Å; I55-L63 HydrophobicContact CD1-CD2 3.87Å; I55-L63 HydrophobicContact CD1-CG 4.02Å; I55-L63 HydrophobicContact CG1-CD2 4.27Å; I55-L63 HydrophobicContact CG1-CG 4.14Å; I55-L63 HydrophobicContact CG2-CD1 3.96Å; I55-L63 HydrophobicContact CG2-CG 3.91Å; I55-F79 HydrophobicContact CD1-CD1 4.3Å; I55-F79 HydrophobicContact CD1-CG 4.5Å; I55-F79 HydrophobicContact CG1-CD1 3.66Å; I55-F79 HydrophobicContact CG1-CE1 3.87Å; I55-F79 HydrophobicContact CG1-CG 4.31Å; I55-T81 HydrophobicContact CD1-CG2 3.86Å; I55-T81 HydrophobicContact CG1-CG2 4.1Å; I55-R83 HydrophobicContact CG2-CG 4.5Å; I55-Y100 HydrophobicContact CD1-CE2 3.88Å
56N95.2Very high95.7Very high73 Ų7339.2 Ų39.239%0.3922%0.223SC..SBendtrans-8862.8-172.3-63.3-41.9000111.6D54 R83D54-N56 PolarHBondContact OD1-N 2.84Å; N56-R83 PolarHBondContact OD1-NE 3.23Å; N56-R83 PolarHBondContact OD1-NH2 3.27Å
57L96.3Very high95.7Very high14 Ų1441.7 Ų41.77%0.07323%0.232CC..  trans-92.8150.3178.4-67.3166.6000111.9V9 D11 M53 D54 I55 L65V9-L57 HydrophobicContact CB-CD1 4.43Å; V9-L57 HydrophobicContact CG1-CD1 3.54Å; V9-L57 HydrophobicContact CG1-CD2 4.18Å; D11-L57 HydrophobicContact CB-CD2 4.32Å; M53-L57 HydrophobicContact CG-CD1 4.19Å; D54-L57 HydrophobicContact CB-CD2 4.4Å; D54-L57 VanDerWaalsContact O-CD1 3.23Å; D54-L57 WeakPolarHBondContact O-CD1 3.49Å; D54-L57 WeakPolarHBondContact O-CG 3.24Å; I55-L57 VanDerWaalsContact C-N 3.27Å; I55-L57 PolarHBondContact O-N 2.92Å; L57-L65 HydrophobicContact CD1-CD1 3.63Å
58P92.3Very high95.8Very high67 Ų6737.5 Ų37.544%0.43521%0.208SC..SBendtrans-66.1148.1173.828.4-35.2000111.6D11 D35 K60D11-P58 VanDerWaalsContact CB-CD 3.45Å; D11-P58 HydrophobicContact CB-CG 4.03Å; D35-P58 HydrophobicContact CB-CG 4.36Å; P58-K60 PolarHBondContact O-N 3.23Å
59G93.8Very high95.7Very high92 Ų9236.7 Ų36.795%0.94820%0.204SC*.SBendtrans71.6-96.8-177.300000111.6
60K93.3Very high95.6Very high82 Ų8235.2 Ų35.236%0.35719%0.194SC..SBendtrans-93.8124.2179.4-174.1174-85.9161.40109.8P58 L64 L65 E68P58-K60 PolarHBondContact O-N 3.23Å; K60-L64 HydrophobicContact CD-CB 3.81Å; K60-L64 HydrophobicContact CG-CB 3.59Å; K60-L64 HydrophobicContact CG-CD1 4.08Å; K60-L64 HydrophobicContact CG-CG 4.5Å; K60-L65 HydrophobicContact CB-CD2 4.21Å; K60-L65 HydrophobicContact CB-CG 4.29Å; K60-L65 HydrophobicContact CD-CD2 3.55Å; K60-L65 HydrophobicContact CD-CG 3.98Å; K60-L65 HydrophobicContact CG-CD2 4.01Å; K60-L65 HydrophobicContact CG-CG 3.97Å; K60-E68 VanDerWaalsContact NZ-CD 3.25Å; K60-E68 IonicContact NZ-OE1 2.84Å; K60-E68 PolarHBondContact NZ-OE1 3.42Å; K60-E68 IonicContact NZ-OE2 3.82Å; K60-E68 PolarHBondContact NZ-OE2 2.88Å
61N94.8Very high95.3Very high63 Ų6341.5 Ų41.534%0.33722%0.223SC..  trans-62.2152.9176.772.142.9000111.7L63 L64 L65N61-L63 PolarHBondContact O-N 3.22Å; N61-L63 PolarHBondContact OD1-N 3.33Å; N61-L64 PolarHBondContact O-N 3Å; N61-L64 VanDerWaalsContact O-N 3.16Å; N61-L64 WeakPolarHBondContact OD1-CB 3.44Å; N61-L64 VanDerWaalsContact OD1-CG 3.25Å; N61-L64 WeakPolarHBondContact OD1-CG 3.46Å; N61-L64 PolarHBondContact OD1-N 2.91Å; N61-L65 PolarHBondContact O-N 3.22Å; N61-L65 VanDerWaalsContact O-N 3.14Å
62G96.4Very high94.7Very high0 Ų047.3 Ų47.30%025%0.25CS..Hα-helixtrans-64.3-24.6-176.700000114.2D54 I55 L65 A66D54-G62 WeakPolarHBondContact O-CA 3.43Å; I55-G62 PolarHBondContact O-N 3.35Å; G62-L65 PolarHBondContact O-N 2.94Å; G62-A66 VanDerWaalsContact O-CB 3.22Å; G62-A66 WeakPolarHBondContact O-CB 3.46Å; G62-A66 PolarHBondContact O-N 3.16Å
63L95.4Very high94.1Very high17 Ų1748.9 Ų48.99%0.08926%0.264CS..Hα-helixtrans-67.7-39.7175.4-68.7167.9000111.6I55 N61 R67 F79 L91 I95I55-L63 HydrophobicContact CD1-CD1 4.33Å; I55-L63 HydrophobicContact CD1-CD2 3.87Å; I55-L63 HydrophobicContact CD1-CG 4.02Å; I55-L63 HydrophobicContact CG1-CD2 4.27Å; I55-L63 HydrophobicContact CG1-CG 4.14Å; I55-L63 HydrophobicContact CG2-CD1 3.96Å; I55-L63 HydrophobicContact CG2-CG 3.91Å; N61-L63 PolarHBondContact O-N 3.22Å; N61-L63 PolarHBondContact OD1-N 3.33Å; L63-R67 PolarHBondContact O-N 3.31Å; L63-F79 HydrophobicContact CD2-CE1 4.42Å; L63-F79 HydrophobicContact CD2-CE2 4.13Å; L63-F79 HydrophobicContact CD2-CZ 3.83Å; L63-L91 HydrophobicContact CD1-CD2 3.75Å; L63-L91 HydrophobicContact CD1-CG 4.31Å; L63-L91 HydrophobicContact CD2-CG 4.37Å; L63-I95 HydrophobicContact CB-CD1 3.86Å; L63-I95 HydrophobicContact CD2-CD1 3.59Å; L63-I95 HydrophobicContact CG-CD1 4.33Å; L63-I95 WeakPolarHBondContact O-CD1 3.46Å
64L95.8Very high93.4Very high83 Ų8350.8 Ų50.844%0.43527%0.274SS..Hα-helixtrans-68.9-42.2173.8-70.1173.2000111K60 N61 A66 R67 E68K60-L64 HydrophobicContact CD-CB 3.81Å; K60-L64 HydrophobicContact CG-CB 3.59Å; K60-L64 HydrophobicContact CG-CD1 4.08Å; K60-L64 HydrophobicContact CG-CG 4.5Å; N61-L64 PolarHBondContact O-N 3Å; N61-L64 VanDerWaalsContact O-N 3.16Å; N61-L64 WeakPolarHBondContact OD1-CB 3.44Å; N61-L64 VanDerWaalsContact OD1-CG 3.25Å; N61-L64 WeakPolarHBondContact OD1-CG 3.46Å; N61-L64 PolarHBondContact OD1-N 2.91Å; L64-A66 VanDerWaalsContact C-N 3.33Å; L64-A66 PolarHBondContact O-N 3.06Å; L64-R67 WeakPolarHBondContact O-CB 3.5Å; L64-R67 PolarHBondContact O-N 3.26Å; L64-E68 WeakPolarHBondContact O-CG 3.47Å; L64-E68 PolarHBondContact O-N 2.66Å; L64-E68 VanDerWaalsContact O-N 3.1Å
65L97.1Very high93.1Very high1 Ų151.1 Ų51.11%0.00528%0.276CS..Hα-helixtrans-62.4-40175.7-68.2173.7000112.4M39 M53 L57 K60 N61 G62 R67 E68 L69M39-L65 HydrophobicContact CE-CB 3.99Å; M39-L65 HydrophobicContact CE-CD2 3.86Å; M39-L65 HydrophobicContact CE-CG 4.37Å; M39-L65 HydrophobicContact SD-CB 4.16Å; M39-L65 HydrophobicContact SD-CD1 4.43Å; M53-L65 HydrophobicContact CE-CB 4.12Å; M53-L65 HydrophobicContact SD-CB 3.9Å; L57-L65 HydrophobicContact CD1-CD1 3.63Å; K60-L65 HydrophobicContact CB-CD2 4.21Å; K60-L65 HydrophobicContact CB-CG 4.29Å; K60-L65 HydrophobicContact CD-CD2 3.55Å; K60-L65 HydrophobicContact CD-CG 3.98Å; K60-L65 HydrophobicContact CG-CD2 4.01Å; K60-L65 HydrophobicContact CG-CG 3.97Å; N61-L65 PolarHBondContact O-N 3.22Å; N61-L65 VanDerWaalsContact O-N 3.14Å; G62-L65 PolarHBondContact O-N 2.94Å; L65-R67 VanDerWaalsContact C-N 3.29Å; L65-R67 PolarHBondContact O-N 3.1Å; L65-E68 PolarHBondContact O-N 2.61Å; L65-L69 WeakPolarHBondContact O-CB 3.13Å; L65-L69 PolarHBondContact O-N 3.42Å
66A96.3Very high92.9Very high0 Ų051.2 Ų51.20%028%0.277CS..Hα-helixtrans-62.9-35.917500000112.7M53 G62 L64 L69 R70 L77 F79 I95M53-A66 HydrophobicContact SD-CB 4.13Å; G62-A66 VanDerWaalsContact O-CB 3.22Å; G62-A66 WeakPolarHBondContact O-CB 3.46Å; G62-A66 PolarHBondContact O-N 3.16Å; L64-A66 VanDerWaalsContact C-N 3.33Å; L64-A66 PolarHBondContact O-N 3.06Å; A66-L69 WeakPolarHBondContact O-CB 3.11Å; A66-L69 PolarHBondContact O-N 3.22Å; A66-R70 WeakPolarHBondContact O-CB 3.38Å; A66-R70 WeakPolarHBondContact O-CG 3.37Å; A66-R70 PolarHBondContact O-N 2.56Å; A66-L77 HydrophobicContact CB-CD2 3.59Å; A66-F79 HydrophobicContact CB-CE1 4.09Å; A66-F79 HydrophobicContact CB-CE2 4.29Å; A66-F79 HydrophobicContact CB-CZ 3.41Å; A66-F79 VanDerWaalsContact CB-CZ 3.41Å; A66-I95 HydrophobicContact CB-CG2 3.72Å
67R94.5Very high93Very high154 Ų15447.7 Ų47.758%0.58126%0.258SS*.Hα-helixtrans-64.5-46.6173.9-179.7178.3174.8163.42.7111.2L63 L64 L65 L69 R70 E71 I95L63-R67 PolarHBondContact O-N 3.31Å; L64-R67 WeakPolarHBondContact O-CB 3.5Å; L64-R67 PolarHBondContact O-N 3.26Å; L65-R67 VanDerWaalsContact C-N 3.29Å; L65-R67 PolarHBondContact O-N 3.1Å; R67-L69 VanDerWaalsContact C-N 3.32Å; R67-L69 PolarHBondContact O-N 3.14Å; R67-R70 PolarHBondContact O-N 3.46Å; R67-R70 VanDerWaalsContact O-N 3.14Å; R67-E71 IonicContact NE-OE1 2.72Å; R67-E71 PolarHBondContact NE-OE1 3.09Å; R67-E71 WeakPolarHBondContact O-CG 3.4Å; R67-E71 PolarHBondContact O-N 2.99Å; R67-I95 HydrophobicContact CB-CG2 4.36Å
68E95Very high93Very high49 Ų4947 Ų4723%0.22926%0.255CS..Hα-helixtrans-61.6-42.5176.3-66.6179.8162.800111.8H40 K60 L64 L65 R70 E71 Q72H40-E68 IonicContact CE1-OE2 2.66Å; H40-E68 IonicContact NE2-OE2 2.87Å; H40-E68 PolarHBondContact NE2-OE2 2.72Å; K60-E68 VanDerWaalsContact NZ-CD 3.25Å; K60-E68 IonicContact NZ-OE1 2.84Å; K60-E68 PolarHBondContact NZ-OE1 3.42Å; K60-E68 IonicContact NZ-OE2 3.82Å; K60-E68 PolarHBondContact NZ-OE2 2.88Å; L64-E68 WeakPolarHBondContact O-CG 3.47Å; L64-E68 PolarHBondContact O-N 2.66Å; L64-E68 VanDerWaalsContact O-N 3.1Å; L65-E68 PolarHBondContact O-N 2.61Å; E68-R70 PolarHBondContact O-N 3.13Å; E68-E71 WeakPolarHBondContact O-CB 3.08Å; E68-E71 PolarHBondContact O-N 3.02Å; E68-E71 VanDerWaalsContact O-N 3.16Å; E68-Q72 WeakPolarHBondContact O-CG 3.48Å; E68-Q72 PolarHBondContact O-N 2.84Å
69L95Very high93.2Very high1 Ų143.9 Ų43.91%0.00523%0.234CC..Hα-helixtrans-56.3-42174.6-178.262.5000111.3L43 V51 M53 L65 A66 R67 Q72 A73 V75 L77L43-L69 HydrophobicContact CD1-CD1 3.55Å; L43-L69 HydrophobicContact CD2-CD1 4.12Å; V51-L69 HydrophobicContact CB-CD2 4.1Å; V51-L69 HydrophobicContact CG1-CD2 4.29Å; V51-L69 HydrophobicContact CG2-CD2 3.94Å; M53-L69 HydrophobicContact CE-CD2 4.41Å; L65-L69 WeakPolarHBondContact O-CB 3.13Å; L65-L69 PolarHBondContact O-N 3.42Å; A66-L69 WeakPolarHBondContact O-CB 3.11Å; A66-L69 PolarHBondContact O-N 3.22Å; R67-L69 VanDerWaalsContact C-N 3.32Å; R67-L69 PolarHBondContact O-N 3.14Å; L69-Q72 PolarHBondContact O-N 3.34Å; L69-A73 PolarHBondContact O-N 2.78Å; L69-V75 HydrophobicContact CD1-CG1 3.64Å; L69-V75 HydrophobicContact CD2-CG1 3.64Å; L69-V75 HydrophobicContact CG-CG1 3.75Å; L69-L77 HydrophobicContact CD2-CD1 3.99Å; L69-L77 HydrophobicContact CD2-CD2 4.45Å
70R90.6Very high93.4Very high31 Ų3139.5 Ų39.512%0.11719%0.189CC..Hα-helixtrans-72.4-27.3-180-72.3-77.5176.9-10014.6113.6A66 R67 E68 Q72 V75 I95 G96 D98A66-R70 WeakPolarHBondContact O-CB 3.38Å; A66-R70 WeakPolarHBondContact O-CG 3.37Å; A66-R70 PolarHBondContact O-N 2.56Å; R67-R70 PolarHBondContact O-N 3.46Å; R67-R70 VanDerWaalsContact O-N 3.14Å; E68-R70 PolarHBondContact O-N 3.13Å; R70-Q72 VanDerWaalsContact C-N 3.26Å; R70-V75 PolarHBondContact NH1-O 2.81Å; R70-V75 PolarHBondContact NH2-O 3.39Å; R70-I95 HydrophobicContact CG-CG2 4.32Å; R70-I95 WeakPolarHBondContact CG-O 3.43Å; R70-G96 VanDerWaalsContact CZ-O 3.26Å; R70-G96 PolarHBondContact NE-O 3.01Å; R70-G96 PolarHBondContact NH2-O 3.05Å; R70-D98 IonicContact NH2-OD2 2.61Å; R70-D98 PolarHBondContact NH2-OD2 3.43Å; R70-D98 VanDerWaalsContact NH2-OD2 3.15Å
71E89.6Confident93.5Very high132 Ų13235.6 Ų35.662%0.61717%0.172SC*.Hα-helixtrans-69.5-27172-69.7169-174.100111.6R67 E68R67-E71 IonicContact NE-OE1 2.72Å; R67-E71 PolarHBondContact NE-OE1 3.09Å; R67-E71 WeakPolarHBondContact O-CG 3.4Å; R67-E71 PolarHBondContact O-N 2.99Å; E68-E71 WeakPolarHBondContact O-CB 3.08Å; E68-E71 PolarHBondContact O-N 3.02Å; E68-E71 VanDerWaalsContact O-N 3.16Å
72Q86.3Confident93.5Very high122 Ų12234.7 Ų34.757%0.5718%0.177SC*.Hα-helixtrans-101.8-38-174.7-63.8175-2.500113.6E68 L69 R70E68-Q72 WeakPolarHBondContact O-CG 3.48Å; E68-Q72 PolarHBondContact O-N 2.84Å; L69-Q72 PolarHBondContact O-N 3.34Å; R70-Q72 VanDerWaalsContact C-N 3.26Å
73A84.6Confident93.2Very high37 Ų3738.7 Ų38.731%0.30619%0.192SC..  trans-150.9147.1-168.600000114.4L69 V75L69-A73 PolarHBondContact O-N 2.78Å; A73-V75 VanDerWaalsContact C-N 3.27Å; A73-V75 PolarHBondContact O-N 2.93Å
74N84.6Confident92.8Very high39 Ų3943.9 Ų43.921%0.20922%0.221CC..  trans-93.333.7172.7-72.7-24.7000112.6L161N74-L161 VanDerWaalsContact CG-O 3.27Å; N74-L161 PolarHBondContact ND2-O 2.87Å; N74-L161 VanDerWaalsContact ND2-O 3.08Å
75V91.4Very high92.6Very high16 Ų1643.1 Ų43.110%0.09722%0.217CC..  trans-61.2145.6175.367.10000110I48 N49 V51 L69 R70 A73 L77I48-V75 HydrophobicContact CB-CG2 4.49Å; I48-V75 HydrophobicContact CG2-CG2 4.11Å; I48-V75 WeakPolarHBondContact O-CG2 3.43Å; N49-V75 VanDerWaalsContact C-CG2 3.48Å; V51-V75 HydrophobicContact CG2-CG1 3.83Å; V51-V75 HydrophobicContact CG2-CG2 4.13Å; L69-V75 HydrophobicContact CD1-CG1 3.64Å; L69-V75 HydrophobicContact CD2-CG1 3.64Å; L69-V75 HydrophobicContact CG-CG1 3.75Å; R70-V75 PolarHBondContact NH1-O 2.81Å; R70-V75 PolarHBondContact NH2-O 3.39Å; A73-V75 VanDerWaalsContact C-N 3.27Å; A73-V75 PolarHBondContact O-N 2.93Å; V75-L77 PolarHBondContact O-N 2.79Å
76A93.1Very high92.2Very high2 Ų247.3 Ų47.32%0.01724%0.236CC..EExtended strand (participates in β ladder)trans-59.4132.8173.400000108.8N49 L50 V51 D98 L117N49-A76 WeakPolarHBondContact O-CB 3.46Å; N49-A76 PolarHBondContact O-N 3.39Å; L50-A76 CarbonylContact C-O 3.54Å; L50-A76 WeakPolarHBondContact CA-O 3.45Å; L50-A76 HydrophobicContact CB-CB 4.39Å; L50-A76 HydrophobicContact CD1-CB 3.75Å; L50-A76 WeakPolarHBondContact CD1-O 3.39Å; V51-A76 PolarHBondContact N-O 3.15Å; A76-D98 VanDerWaalsContact CA-OD2 3.3Å; A76-D98 WeakPolarHBondContact CA-OD2 3.33Å; A76-L117 HydrophobicContact CB-CB 4.31Å
77L95.9Very high91.9Very high0 Ų052.4 Ų52.40%027%0.267CS..EExtended strand (participates in β ladder)trans-124.9124.9-178.817662.9000109.6V51 M53 A66 L69 V75 F79 A97 D98 D99V51-L77 HydrophobicContact CB-CD1 4.05Å; V51-L77 HydrophobicContact CG1-CD1 4.03Å; M53-L77 HydrophobicContact CB-CD1 4.13Å; M53-L77 HydrophobicContact CE-CD1 4.23Å; A66-L77 HydrophobicContact CB-CD2 3.59Å; L69-L77 HydrophobicContact CD2-CD1 3.99Å; L69-L77 HydrophobicContact CD2-CD2 4.45Å; V75-L77 PolarHBondContact O-N 2.79Å; L77-F79 HydrophobicContact CD2-CE2 4.38Å; L77-F79 HydrophobicContact CD2-CZ 4.4Å; L77-A97 HydrophobicContact CD2-CB 4.11Å; L77-A97 HydrophobicContact CG-CB 4.18Å; L77-D98 PolarHBondContact N-OD2 3.16Å; L77-D98 WeakPolarHBondContact O-CB 3.24Å; L77-D98 PolarHBondContact O-N 2.94Å; L77-D99 PolarHBondContact O-N 2.84Å
78M96.4Very high91.7Very high0 Ų045.9 Ų45.90%024%0.244CC..EExtended strand (participates in β ladder)trans-120.8126.6172.2179.3-179.5-63.900109.1L50 V51 I52 M53 D99 I101 L110 R113 L117L50-M78 HydrophobicContact CD1-CB 4.22Å; V51-M78 PolarHBondContact O-N 3.24Å; I52-M78 WeakPolarHBondContact CA-O 3.37Å; M53-M78 PolarHBondContact N-O 2.95Å; M78-D99 WeakPolarHBondContact CA-O 3.23Å; M78-D99 HydrophobicContact CE-CB 4.09Å; M78-D99 HydrophobicContact CG-CB 4.22Å; M78-I101 HydrophobicContact CE-CD1 4.23Å; M78-I101 HydrophobicContact CG-CD1 4.44Å; M78-I101 HydrophobicContact SD-CD1 3.43Å; M78-I101 WeakPolarHBondContact SD-CD1 3.31Å; M78-I101 HydrophobicContact SD-CG1 4.1Å; M78-L110 HydrophobicContact SD-CD1 3.7Å; M78-R113 HydrophobicContact CE-CB 3.64Å; M78-L117 HydrophobicContact CB-CD1 4.32Å; M78-L117 HydrophobicContact CE-CD1 3.64Å; M78-L117 HydrophobicContact CE-CG 4.46Å
79F97.5Very high91.5Very high0 Ų045.8 Ų45.80%024%0.243CC..EExtended strand (participates in β ladder)trans-80.9134.4166-76.1-64.6000110.3M53 I55 L63 A66 L77 G92 A97 D99 Y100 I101M53-F79 HydrophobicContact CB-CD1 4.23Å; M53-F79 HydrophobicContact CB-CE1 4.32Å; M53-F79 HydrophobicContact CG-CD1 4.47Å; M53-F79 HydrophobicContact CG-CE1 4.2Å; M53-F79 WeakPolarHBondContact O-CA 3.36Å; M53-F79 WeakPolarHBondContact O-CD1 3.32Å; M53-F79 HydrophobicContact SD-CE1 4.05Å; I55-F79 HydrophobicContact CD1-CD1 4.3Å; I55-F79 HydrophobicContact CD1-CG 4.5Å; I55-F79 HydrophobicContact CG1-CD1 3.66Å; I55-F79 HydrophobicContact CG1-CE1 3.87Å; I55-F79 HydrophobicContact CG1-CG 4.31Å; L63-F79 HydrophobicContact CD2-CE1 4.42Å; L63-F79 HydrophobicContact CD2-CE2 4.13Å; L63-F79 HydrophobicContact CD2-CZ 3.83Å; A66-F79 HydrophobicContact CB-CE1 4.09Å; A66-F79 HydrophobicContact CB-CE2 4.29Å; A66-F79 HydrophobicContact CB-CZ 3.41Å; A66-F79 VanDerWaalsContact CB-CZ 3.41Å; L77-F79 HydrophobicContact CD2-CE2 4.38Å; L77-F79 HydrophobicContact CD2-CZ 4.4Å; F79-G92 VanDerWaalsContact CE2-CA 3.5Å; F79-A97 HydrophobicContact CD2-CB 3.47Å; F79-A97 VanDerWaalsContact CD2-CB 3.47Å; F79-A97 HydrophobicContact CE2-CB 3.61Å; F79-D99 PolarHBondContact N-O 3.45Å; F79-Y100 HydrophobicContact CB-CD2 3.63Å; F79-Y100 HydrophobicContact CB-CE2 3.97Å; F79-Y100 HydrophobicContact CB-CG 4.16Å; F79-Y100 HydrophobicContact CD2-CD2 4.02Å; F79-Y100 HydrophobicContact CD2-CE2 4.39Å; F79-Y100 HydrophobicContact CG-CD2 4.17Å; F79-Y100 HydrophobicContact CG-CE2 4.36Å; F79-I101 PolarHBondContact O-N 2.96Å
80L97.7Very high91.4Very high1 Ų148 Ų481%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-130103.4170.4179.664.7000108.9L19 I52 M53 D54 I101 K103 F105 L110L19-L80 HydrophobicContact CD1-CD2 3.84Å; L19-L80 HydrophobicContact CD2-CD2 3.41Å; L19-L80 VanDerWaalsContact CD2-CD2 3.41Å; L19-L80 HydrophobicContact CG-CD2 4.22Å; I52-L80 HydrophobicContact CG2-CB 3.79Å; I52-L80 HydrophobicContact CG2-CD2 4.19Å; M53-L80 PolarHBondContact O-N 2.65Å; D54-L80 WeakPolarHBondContact CA-O 3.2Å; L80-I101 WeakPolarHBondContact CA-O 3.25Å; L80-I101 HydrophobicContact CD1-CB 3.72Å; L80-I101 HydrophobicContact CD1-CG2 3.55Å; L80-K103 HydrophobicContact CD1-CG 4.38Å; L80-K103 HydrophobicContact CG-CG 4.38Å; L80-K103 WeakPolarHBondContact O-CE 3.42Å; L80-F105 HydrophobicContact CD1-CB 4.04Å; L80-F105 HydrophobicContact CD1-CD1 3.69Å; L80-F105 HydrophobicContact CD1-CE1 4.36Å; L80-F105 HydrophobicContact CD1-CG 3.93Å; L80-F105 HydrophobicContact CD2-CD1 4.04Å; L80-F105 HydrophobicContact CD2-CE1 3.87Å; L80-F105 HydrophobicContact CD2-CZ 4.21Å; L80-F105 HydrophobicContact CG-CD1 4.27Å; L80-F105 HydrophobicContact CG-CE1 4.47Å; L80-L110 HydrophobicContact CD2-CD1 4.45Å; L80-L110 HydrophobicContact CD2-CD2 4.27Å
81T95.9Very high91.5Very high0 Ų049.8 Ų49.80%027%0.265CS..EExtended strand (participates in β ladder)trans-150.4155.6-165.6-1740000113.2D54 I55 R83 Y100 I101 T102 K103D54-T81 WeakPolarHBondContact OD1-CA 3.2Å; D54-T81 WeakPolarHBondContact OD1-CB 3.42Å; D54-T81 PolarHBondContact OD1-OG1 3.46Å; I55-T81 HydrophobicContact CD1-CG2 3.86Å; I55-T81 HydrophobicContact CG1-CG2 4.1Å; T81-R83 HydrophobicContact CG2-CB 3.96Å; T81-R83 PolarHBondContact O-N 2.96Å; T81-R83 PolarHBondContact OG1-N 3.49Å; T81-Y100 HydrophobicContact CG2-CE1 3.76Å; T81-Y100 HydrophobicContact CG2-CE2 4.13Å; T81-Y100 WeakPolarHBondContact CG2-OH 3.37Å; T81-I101 PolarHBondContact N-O 2.69Å; T81-T102 CarbonylContact O-C 3.58Å; T81-T102 WeakPolarHBondContact O-CA 3.4Å; T81-K103 PolarHBondContact O-N 3.42Å
82G94.1Very high91.6Very high43 Ų4343.5 Ų43.544%0.44324%0.236SC..SBendtrans-71.9-8.1171.500000114.2D84G82-D84 PolarHBondContact O-N 3.29Å
83R90.6Very high91.9Very high84 Ų8437.7 Ų37.732%0.31721%0.209SC..  trans-75.4110.1178.4-59.7-143.2-176.5-169.3-5.3110.9I55 N56 T81 D88 Y100I55-R83 HydrophobicContact CG2-CG 4.5Å; N56-R83 PolarHBondContact OD1-NE 3.23Å; N56-R83 PolarHBondContact OD1-NH2 3.27Å; T81-R83 HydrophobicContact CG2-CB 3.96Å; T81-R83 PolarHBondContact O-N 2.96Å; T81-R83 PolarHBondContact OG1-N 3.49Å; R83-D88 HydrophobicContact CB-CB 4.24Å; R83-D88 WeakPolarHBondContact CD-OD2 3.5Å; R83-D88 IonicContact CZ-OD2 3.92Å; R83-D88 IonicContact NE-OD2 3.7Å; R83-D88 IonicContact NH1-OD1 2.56Å; R83-D88 PolarHBondContact NH1-OD1 2.96Å; R83-D88 VanDerWaalsContact NH1-OD1 3.16Å; R83-D88 IonicContact NH1-OD2 3.22Å; R83-D88 PolarHBondContact NH1-OD2 3Å; R83-Y100 WeakPolarHBondContact CB-OH 3.37Å; R83-Y100 VanDerWaalsContact O-CE1 3.3Å; R83-Y100 WeakPolarHBondContact O-CE1 3.49Å; R83-Y100 PolarHBondContact O-OH 3.42Å
84D87.5Confident92.3Very high127 Ų12739.5 Ų39.568%0.67921%0.211SC*.  trans-110.6-2.7-173.667.9-14.7000114.8G82 T102G82-D84 PolarHBondContact O-N 3.29Å; D84-T102 HydrophobicContact CB-CG2 3.83Å
85N91Very high92.7Very high66 Ų6639.1 Ų39.135%0.35321%0.209SC..SBendtrans-71.4150.5178.969.977.2000112.1V87 D88 K89N85-V87 VanDerWaalsContact C-N 3.26Å; N85-V87 PolarHBondContact O-N 3.26Å; N85-V87 WeakPolarHBondContact OD1-CB 3.33Å; N85-V87 PolarHBondContact OD1-N 3.48Å; N85-D88 PolarHBondContact ND2-OD2 3.37Å; N85-D88 PolarHBondContact O-N 3.22Å; N85-D88 PolarHBondContact OD1-N 2.83Å; N85-D88 PolarHBondContact OD1-OD2 3.13Å; N85-K89 PolarHBondContact O-N 3.47Å
86E88Confident92.7Very high89 Ų8938.3 Ų38.342%0.41620%0.204SC..Hα-helixtrans-63.9-30.9-175.7-169.3175.2-170.900112.4K89 I90 R199E86-K89 PolarHBondContact O-N 3.24Å; E86-I90 HydrophobicContact CG-CD1 3.81Å; E86-I90 HydrophobicContact CG-CG1 4.32Å; E86-I90 WeakPolarHBondContact O-CB 3.5Å; E86-I90 VanDerWaalsContact O-CG1 3.26Å; E86-I90 WeakPolarHBondContact O-CG1 3.47Å; E86-I90 PolarHBondContact O-N 2.9Å; E86-R199 IonicContact OE1-CZ 2.69Å; E86-R199 IonicContact OE1-NE 3.49Å; E86-R199 PolarHBondContact OE1-NE 3.34Å; E86-R199 IonicContact OE1-NH2 3.22Å; E86-R199 PolarHBondContact OE1-NH2 3.32Å
87V90.5Very high92.7Very high107 Ų10738.3 Ų38.365%0.64820%0.204SC*.Hα-helixtrans-66-50.9-178.4178.60000111.1N85 K89 I90 L91N85-V87 VanDerWaalsContact C-N 3.26Å; N85-V87 PolarHBondContact O-N 3.26Å; N85-V87 WeakPolarHBondContact OD1-CB 3.33Å; N85-V87 PolarHBondContact OD1-N 3.48Å; V87-K89 VanDerWaalsContact C-N 3.3Å; V87-K89 PolarHBondContact O-N 3.01Å; V87-I90 PolarHBondContact O-N 3.32Å; V87-L91 WeakPolarHBondContact O-CB 3.44Å; V87-L91 PolarHBondContact O-N 3.02Å
88D90.1Very high92.6Very high17 Ų1738.3 Ų38.39%0.09120%0.204CC..Hα-helixtrans-64.7-37179.4-75.2-34.9000111.7R83 N85 L91 G92R83-D88 HydrophobicContact CB-CB 4.24Å; R83-D88 WeakPolarHBondContact CD-OD2 3.5Å; R83-D88 IonicContact CZ-OD2 3.92Å; R83-D88 IonicContact NE-OD2 3.7Å; R83-D88 IonicContact NH1-OD1 2.56Å; R83-D88 PolarHBondContact NH1-OD1 2.96Å; R83-D88 VanDerWaalsContact NH1-OD1 3.16Å; R83-D88 IonicContact NH1-OD2 3.22Å; R83-D88 PolarHBondContact NH1-OD2 3Å; N85-D88 PolarHBondContact ND2-OD2 3.37Å; N85-D88 PolarHBondContact O-N 3.22Å; N85-D88 PolarHBondContact OD1-N 2.83Å; N85-D88 PolarHBondContact OD1-OD2 3.13Å; D88-L91 PolarHBondContact O-N 2.79Å; D88-G92 PolarHBondContact O-N 2.84Å
89K91.1Very high92.5Very high47 Ų4738.5 Ų38.520%0.20421%0.205CC..Hα-helixtrans-62.3-47.6173.9-176.1-178.6179-174.30111.7N85 E86 V87 L91 L93 Y100 H197N85-K89 PolarHBondContact O-N 3.47Å; E86-K89 PolarHBondContact O-N 3.24Å; V87-K89 VanDerWaalsContact C-N 3.3Å; V87-K89 PolarHBondContact O-N 3.01Å; K89-L91 VanDerWaalsContact C-N 3.34Å; K89-L93 HydrophobicContact CG-CD1 4.29Å; K89-L93 VanDerWaalsContact O-CG 3.26Å; K89-L93 WeakPolarHBondContact O-CG 3.48Å; K89-L93 PolarHBondContact O-N 2.79Å; K89-L93 VanDerWaalsContact O-N 3.16Å; K89-Y100 HydrophobicContact CB-CE1 4.47Å; K89-Y100 HydrophobicContact CB-CE2 4.45Å; K89-Y100 HydrophobicContact CG-CD1 4.23Å; K89-Y100 HydrophobicContact CG-CD2 4.39Å; K89-Y100 HydrophobicContact CG-CG 4.1Å; K89-H197 PolarHBondContact NZ-O 3.45Å
90I92.3Very high92.3Very high48 Ų4839.1 Ų39.125%0.24621%0.207CC..Hα-helixtrans-61.6-45.6176.7-72.5169.8000109.8E86 V87 G92 L93 E94 R199 V203E86-I90 HydrophobicContact CG-CD1 3.81Å; E86-I90 HydrophobicContact CG-CG1 4.32Å; E86-I90 WeakPolarHBondContact O-CB 3.5Å; E86-I90 VanDerWaalsContact O-CG1 3.26Å; E86-I90 WeakPolarHBondContact O-CG1 3.47Å; E86-I90 PolarHBondContact O-N 2.9Å; V87-I90 PolarHBondContact O-N 3.32Å; I90-G92 PolarHBondContact O-N 3.44Å; I90-L93 CarbonylContact O-C 3.52Å; I90-L93 WeakPolarHBondContact O-CB 3.38Å; I90-L93 PolarHBondContact O-N 2.99Å; I90-L93 VanDerWaalsContact O-N 3.16Å; I90-E94 HydrophobicContact CG2-CG 4.09Å; I90-E94 WeakPolarHBondContact O-CB 3.31Å; I90-E94 WeakPolarHBondContact O-CG 3.32Å; I90-E94 PolarHBondContact O-N 2.78Å; I90-R199 HydrophobicContact CD1-CG 4.48Å; I90-R199 HydrophobicContact CG1-CB 4.35Å; I90-R199 HydrophobicContact CG1-CG 4.26Å; I90-V203 HydrophobicContact CG2-CG2 4.26Å
91L93.3Very high92.2Very high68 Ų6839.6 Ų39.636%0.35621%0.21SC..Hα-helixtrans-61.3-44.2-179.3-17857.3000112.2L63 V87 D88 K89 L93 E94 I95L63-L91 HydrophobicContact CD1-CD2 3.75Å; L63-L91 HydrophobicContact CD1-CG 4.31Å; L63-L91 HydrophobicContact CD2-CG 4.37Å; V87-L91 WeakPolarHBondContact O-CB 3.44Å; V87-L91 PolarHBondContact O-N 3.02Å; D88-L91 PolarHBondContact O-N 2.79Å; K89-L91 VanDerWaalsContact C-N 3.34Å; L91-L93 VanDerWaalsContact C-N 3.29Å; L91-L93 PolarHBondContact O-N 3.03Å; L91-E94 PolarHBondContact O-N 3.49Å; L91-E94 VanDerWaalsContact O-N 3.15Å; L91-I95 HydrophobicContact CG-CD1 4.4Å; L91-I95 WeakPolarHBondContact O-CG1 3.5Å; L91-I95 PolarHBondContact O-N 3.22Å
92G91.2Very high92.1Very high0 Ų042.5 Ų42.50%023%0.227CC..Hα-helixtrans-60-39.4175.200000112.7F79 D88 I90 G96 A97F79-G92 VanDerWaalsContact CE2-CA 3.5Å; D88-G92 PolarHBondContact O-N 2.84Å; I90-G92 PolarHBondContact O-N 3.44Å; G92-G96 PolarHBondContact O-N 2.98Å; G92-A97 VanDerWaalsContact O-CB 3.23Å; G92-A97 WeakPolarHBondContact O-CB 3.3Å; G92-A97 PolarHBondContact O-N 3.23Å; G92-A97 VanDerWaalsContact O-N 3.09Å
93L93Very high92.1Very high1 Ų142.6 Ų42.61%0.00522%0.216CC..Hα-helixtrans-71.8-33.7174.9-66169.6000112.4K89 I90 L91 I95 G96 R199 T200 V203 R207K89-L93 HydrophobicContact CG-CD1 4.29Å; K89-L93 VanDerWaalsContact O-CG 3.26Å; K89-L93 WeakPolarHBondContact O-CG 3.48Å; K89-L93 PolarHBondContact O-N 2.79Å; K89-L93 VanDerWaalsContact O-N 3.16Å; I90-L93 CarbonylContact O-C 3.52Å; I90-L93 WeakPolarHBondContact O-CB 3.38Å; I90-L93 PolarHBondContact O-N 2.99Å; I90-L93 VanDerWaalsContact O-N 3.16Å; L91-L93 VanDerWaalsContact C-N 3.29Å; L91-L93 PolarHBondContact O-N 3.03Å; L93-I95 VanDerWaalsContact C-N 3.32Å; L93-G96 WeakPolarHBondContact O-CA 3.37Å; L93-G96 PolarHBondContact O-N 2.89Å; L93-R199 HydrophobicContact CD1-CB 4.4Å; L93-T200 HydrophobicContact CD2-CG2 4.09Å; L93-V203 HydrophobicContact CB-CB 4.05Å; L93-V203 HydrophobicContact CB-CG1 3.62Å; L93-V203 HydrophobicContact CB-CG2 4.35Å; L93-V203 HydrophobicContact CD1-CG2 4.49Å; L93-R207 WeakPolarHBondContact O-CD 3.37Å; L93-R207 PolarHBondContact O-NE 3.4Å
94E93.3Very high92.3Very high75 Ų7545 Ų4535%0.3524%0.242SC..Hα-helixtrans-66.6-32.9175.9-79-173.5160.200112.3I90 L91 G96 V203 R206 R207I90-E94 HydrophobicContact CG2-CG 4.09Å; I90-E94 WeakPolarHBondContact O-CB 3.31Å; I90-E94 WeakPolarHBondContact O-CG 3.32Å; I90-E94 PolarHBondContact O-N 2.78Å; L91-E94 PolarHBondContact O-N 3.49Å; L91-E94 VanDerWaalsContact O-N 3.15Å; E94-G96 PolarHBondContact O-N 3.15Å; E94-V203 HydrophobicContact CB-CG1 4.42Å; E94-V203 HydrophobicContact CG-CG1 3.75Å; E94-R206 IonicContact OE1-CZ 3.46Å; E94-R206 IonicContact OE1-NH1 3.7Å; E94-R206 PolarHBondContact OE1-NH1 3.26Å; E94-R207 PolarHBondContact O-NE 2.67Å
95I93.7Very high92.6Very high30 Ų3041 Ų4115%0.15422%0.219CC..Hα-helixtrans-67.2-25.7169.6-68.3157.4000111.3L63 A66 R67 R70 L91 L93L63-I95 HydrophobicContact CB-CD1 3.86Å; L63-I95 HydrophobicContact CD2-CD1 3.59Å; L63-I95 HydrophobicContact CG-CD1 4.33Å; L63-I95 WeakPolarHBondContact O-CD1 3.46Å; A66-I95 HydrophobicContact CB-CG2 3.72Å; R67-I95 HydrophobicContact CB-CG2 4.36Å; R70-I95 HydrophobicContact CG-CG2 4.32Å; R70-I95 WeakPolarHBondContact CG-O 3.43Å; L91-I95 HydrophobicContact CG-CD1 4.4Å; L91-I95 WeakPolarHBondContact O-CG1 3.5Å; L91-I95 PolarHBondContact O-N 3.22Å; L93-I95 VanDerWaalsContact C-N 3.32Å
96G90.4Very high92.8Very high0 Ų042.1 Ų42.10%023%0.225CC..THydrogen-bonded Turntrans103.928.3178.700000114.5R70 G92 L93 E94R70-G96 VanDerWaalsContact CZ-O 3.26Å; R70-G96 PolarHBondContact NE-O 3.01Å; R70-G96 PolarHBondContact NH2-O 3.05Å; G92-G96 PolarHBondContact O-N 2.98Å; L93-G96 WeakPolarHBondContact O-CA 3.37Å; L93-G96 PolarHBondContact O-N 2.89Å; E94-G96 PolarHBondContact O-N 3.15Å
97A94.1Very high93.2Very high1 Ų141 Ų411%0.00823%0.225CC..  trans-58.9139.5162.800000110.7L77 F79 G92L77-A97 HydrophobicContact CD2-CB 4.11Å; L77-A97 HydrophobicContact CG-CB 4.18Å; F79-A97 HydrophobicContact CD2-CB 3.47Å; F79-A97 VanDerWaalsContact CD2-CB 3.47Å; F79-A97 HydrophobicContact CE2-CB 3.61Å; G92-A97 VanDerWaalsContact O-CB 3.23Å; G92-A97 WeakPolarHBondContact O-CB 3.3Å; G92-A97 PolarHBondContact O-N 3.23Å; G92-A97 VanDerWaalsContact O-N 3.09Å
98D93.1Very high93.4Very high1 Ų144.9 Ų44.91%0.00523%0.228CC..SBendtrans-80.6-26.3178.6-62.5-76.8000111.9R70 A76 L77 L117 R163 S164 T190R70-D98 IonicContact NH2-OD2 2.61Å; R70-D98 PolarHBondContact NH2-OD2 3.43Å; R70-D98 VanDerWaalsContact NH2-OD2 3.15Å; A76-D98 VanDerWaalsContact CA-OD2 3.3Å; A76-D98 WeakPolarHBondContact CA-OD2 3.33Å; L77-D98 PolarHBondContact N-OD2 3.16Å; L77-D98 WeakPolarHBondContact O-CB 3.24Å; L77-D98 PolarHBondContact O-N 2.94Å; D98-L117 HydrophobicContact CB-CD1 4.07Å; D98-L117 HydrophobicContact CB-CD2 3.75Å; D98-R163 VanDerWaalsContact OD1-CB 3.31Å; D98-R163 WeakPolarHBondContact OD1-CB 3.44Å; D98-S164 WeakPolarHBondContact OD1-CB 2.91Å; D98-S164 PolarHBondContact OD1-N 3.45Å; D98-T190 WeakPolarHBondContact O-CG2 3.19Å
99D93.1Very high93.7Very high3 Ų346.9 Ų46.92%0.01624%0.237CC..EExtended strand (participates in β ladder)trans-154.5163.8174.4-150.91.9000112L77 M78 F79 R113 L117 R192L77-D99 PolarHBondContact O-N 2.84Å; M78-D99 WeakPolarHBondContact CA-O 3.23Å; M78-D99 HydrophobicContact CE-CB 4.09Å; M78-D99 HydrophobicContact CG-CB 4.22Å; F79-D99 PolarHBondContact N-O 3.45Å; D99-R113 IonicContact OD1-NH1 2.96Å; D99-R113 PolarHBondContact OD1-NH1 3.1Å; D99-R113 WeakPolarHBondContact OD2-CD 3.23Å; D99-R113 IonicContact OD2-CZ 3.09Å; D99-R113 IonicContact OD2-NE 2.68Å; D99-R113 IonicContact OD2-NH1 3.61Å; D99-R113 PolarHBondContact OD2-NH1 3.14Å; D99-L117 HydrophobicContact CB-CD1 4.35Å; D99-R192 IonicContact OD1-CZ 3.91Å; D99-R192 IonicContact OD1-NE 2.68Å; D99-R192 PolarHBondContact OD1-NE 3.4Å; D99-R192 IonicContact OD1-NH2 3.78Å; D99-R192 PolarHBondContact OD1-NH2 2.74Å; D99-R192 IonicContact OD2-NE 3.15Å; D99-R192 PolarHBondContact OD2-NE 2.94Å
100Y94.6Very high94Very high14 Ų1444.7 Ų44.76%0.05523%0.227CC..EExtended strand (participates in β ladder)trans-140.6123.5-179.9-165.9-71.4000109.3I55 F79 T81 R83 K89 T102I55-Y100 HydrophobicContact CD1-CE2 3.88Å; F79-Y100 HydrophobicContact CB-CD2 3.63Å; F79-Y100 HydrophobicContact CB-CE2 3.97Å; F79-Y100 HydrophobicContact CB-CG 4.16Å; F79-Y100 HydrophobicContact CD2-CD2 4.02Å; F79-Y100 HydrophobicContact CD2-CE2 4.39Å; F79-Y100 HydrophobicContact CG-CD2 4.17Å; F79-Y100 HydrophobicContact CG-CE2 4.36Å; T81-Y100 HydrophobicContact CG2-CE1 3.76Å; T81-Y100 HydrophobicContact CG2-CE2 4.13Å; T81-Y100 WeakPolarHBondContact CG2-OH 3.37Å; R83-Y100 WeakPolarHBondContact CB-OH 3.37Å; R83-Y100 VanDerWaalsContact O-CE1 3.3Å; R83-Y100 WeakPolarHBondContact O-CE1 3.49Å; R83-Y100 PolarHBondContact O-OH 3.42Å; K89-Y100 HydrophobicContact CB-CE1 4.47Å; K89-Y100 HydrophobicContact CB-CE2 4.45Å; K89-Y100 HydrophobicContact CG-CD1 4.23Å; K89-Y100 HydrophobicContact CG-CD2 4.39Å; K89-Y100 HydrophobicContact CG-CG 4.1Å; Y100-T102 HydrophobicContact CD1-CG2 4.35Å; Y100-T102 HydrophobicContact CE1-CG2 3.9Å
101I94.4Very high94.1Very high10 Ų1042.7 Ų42.75%0.05122%0.217CC..EExtended strand (participates in β ladder)trans-123.8131.6178.8-57.4179.3000108.9M78 F79 L80 T81 F105 L110 R113M78-I101 HydrophobicContact CE-CD1 4.23Å; M78-I101 HydrophobicContact CG-CD1 4.44Å; M78-I101 HydrophobicContact SD-CD1 3.43Å; M78-I101 WeakPolarHBondContact SD-CD1 3.31Å; M78-I101 HydrophobicContact SD-CG1 4.1Å; F79-I101 PolarHBondContact O-N 2.96Å; L80-I101 WeakPolarHBondContact CA-O 3.25Å; L80-I101 HydrophobicContact CD1-CB 3.72Å; L80-I101 HydrophobicContact CD1-CG2 3.55Å; T81-I101 PolarHBondContact N-O 2.69Å; I101-F105 HydrophobicContact CG2-CB 3.83Å; I101-L110 HydrophobicContact CD1-CD1 3.75Å; I101-R113 HydrophobicContact CD1-CB 4.36Å
102T93.9Very high94.2Very high61 Ų6142.7 Ų42.737%0.37422%0.217SC..EExtended strand (participates in β ladder)trans-87.9141.417651.10000111.1T81 D84 Y100 P104T81-T102 CarbonylContact O-C 3.58Å; T81-T102 WeakPolarHBondContact O-CA 3.4Å; D84-T102 HydrophobicContact CB-CG2 3.83Å; Y100-T102 HydrophobicContact CD1-CG2 4.35Å; Y100-T102 HydrophobicContact CE1-CG2 3.9Å; T102-P104 CarbonylContact O-C 3.47Å
103K95.2Very high94.3Very high46 Ų4643.5 Ų43.520%0.222%0.22CC..SBendtrans-77.8142166.4-60.7173.5-176.4175.80108.7E10 D54 L80 T81 F105E10-K103 VanDerWaalsContact CD-NZ 3.25Å; E10-K103 IonicContact OE1-NZ 2.98Å; E10-K103 PolarHBondContact OE1-NZ 3.2Å; E10-K103 VanDerWaalsContact OE1-NZ 3.09Å; E10-K103 WeakPolarHBondContact OE2-CE 3.49Å; E10-K103 IonicContact OE2-NZ 3.03Å; E10-K103 PolarHBondContact OE2-NZ 3.17Å; D54-K103 IonicContact OD2-NZ 2.72Å; D54-K103 PolarHBondContact OD2-NZ 3.2Å; L80-K103 HydrophobicContact CD1-CG 4.38Å; L80-K103 HydrophobicContact CG-CG 4.38Å; L80-K103 WeakPolarHBondContact O-CE 3.42Å; T81-K103 PolarHBondContact O-N 3.42Å; K103-F105 HydrophobicContact CG-CD1 4.21Å
104P94.9Very high94.4Very high134 Ų13443.4 Ų43.487%0.8722%0.22SC*.SBendcis-73.5143.7-5.232.2-35000111.7T102T102-P104 CarbonylContact O-C 3.47Å
105F94Very high94.4Very high43 Ų4344.4 Ų44.419%0.18922%0.22CC..  trans-112.1156.1-175.459.3-86.7000111.7L19 I22 L80 I101 K103 L110L19-F105 HydrophobicContact CD2-CE1 4.3Å; L19-F105 HydrophobicContact CD2-CE2 3.96Å; L19-F105 HydrophobicContact CD2-CZ 3.56Å; L19-F105 HydrophobicContact CG-CZ 4.32Å; I22-F105 HydrophobicContact CD1-CE2 4.05Å; L80-F105 HydrophobicContact CD1-CB 4.04Å; L80-F105 HydrophobicContact CD1-CD1 3.69Å; L80-F105 HydrophobicContact CD1-CE1 4.36Å; L80-F105 HydrophobicContact CD1-CG 3.93Å; L80-F105 HydrophobicContact CD2-CD1 4.04Å; L80-F105 HydrophobicContact CD2-CE1 3.87Å; L80-F105 HydrophobicContact CD2-CZ 4.21Å; L80-F105 HydrophobicContact CG-CD1 4.27Å; L80-F105 HydrophobicContact CG-CE1 4.47Å; I101-F105 HydrophobicContact CG2-CB 3.83Å; K103-F105 HydrophobicContact CG-CD1 4.21Å; F105-L110 HydrophobicContact CD2-CB 4.12Å; F105-L110 HydrophobicContact CD2-CD2 3.84Å; F105-L110 HydrophobicContact CE2-CD2 3.6Å; F105-L110 HydrophobicContact CZ-CD2 4.35Å
106N95.3Very high94.2Very high89 Ų8944.6 Ų44.648%0.47622%0.221SC..  trans-85.5122.1168.9-177.5-53.1000109.4R108 E109 L110N106-R108 PolarHBondContact O-N 2.83Å; N106-R108 WeakPolarHBondContact OD1-CA 3.35Å; N106-R108 VanDerWaalsContact OD1-CB 3.24Å; N106-R108 WeakPolarHBondContact OD1-CB 3.48Å; N106-R108 PolarHBondContact OD1-N 3.09Å; N106-E109 HydrophobicContact CB-CB 3.91Å; N106-E109 WeakPolarHBondContact O-CB 3.19Å; N106-E109 PolarHBondContact O-N 3.47Å; N106-E109 PolarHBondContact OD1-N 3.41Å; N106-L110 PolarHBondContact O-N 2.68Å
107P96.2Very high94.2Very high65 Ų6544.6 Ų44.642%0.42222%0.222SC..Hα-helixtrans-54.9-36.5179.8-30.237.3000114.2I22 L110 T111I22-P107 HydrophobicContact CD1-CB 3.78Å; I22-P107 HydrophobicContact CD1-CG 4.07Å; I22-P107 HydrophobicContact CG1-CB 4.25Å; P107-L110 PolarHBondContact O-N 2.95Å; P107-T111 WeakPolarHBondContact O-CG2 3.46Å; P107-T111 PolarHBondContact O-N 3.25Å; P107-T111 PolarHBondContact O-OG1 2.73Å
108R95.1Very high94Very high189 Ų18945.2 Ų45.271%0.71323%0.225SC*.Hα-helixtrans-71.5-36.5177.7-168.1177-178.3176.31.5111.9N106 T111 I112N106-R108 PolarHBondContact O-N 2.83Å; N106-R108 WeakPolarHBondContact OD1-CA 3.35Å; N106-R108 VanDerWaalsContact OD1-CB 3.24Å; N106-R108 WeakPolarHBondContact OD1-CB 3.48Å; N106-R108 PolarHBondContact OD1-N 3.09Å; R108-T111 WeakPolarHBondContact CA-OG1 3.5Å; R108-T111 PolarHBondContact O-OG1 2.88Å; R108-T111 VanDerWaalsContact O-OG1 3.05Å; R108-I112 HydrophobicContact CG-CD1 4.01Å; R108-I112 WeakPolarHBondContact O-CB 3.14Å; R108-I112 WeakPolarHBondContact O-CD1 3.5Å; R108-I112 WeakPolarHBondContact O-CG1 3.41Å; R108-I112 PolarHBondContact O-N 3.15Å; R108-I112 VanDerWaalsContact O-N 3.13Å
109E95Very high93.4Very high60 Ų6047.7 Ų47.728%0.2824%0.242SC..Hα-helixtrans-65.7-44.5174.4179.2171.3-172.900111N106 I112 R113 K195N106-E109 HydrophobicContact CB-CB 3.91Å; N106-E109 WeakPolarHBondContact O-CB 3.19Å; N106-E109 PolarHBondContact O-N 3.47Å; N106-E109 PolarHBondContact OD1-N 3.41Å; E109-I112 PolarHBondContact O-N 3.02Å; E109-R113 HydrophobicContact CG-CG 4.42Å; E109-R113 WeakPolarHBondContact O-CB 3.22Å; E109-R113 VanDerWaalsContact O-CG 3.31Å; E109-R113 WeakPolarHBondContact O-CG 3.37Å; E109-R113 PolarHBondContact O-N 3.27Å; E109-R113 IonicContact OE1-CZ 3.83Å; E109-R113 IonicContact OE1-NE 3.16Å; E109-R113 PolarHBondContact OE1-NE 3.23Å; E109-R113 IonicContact OE1-NH2 3.03Å; E109-R113 PolarHBondContact OE1-NH2 2.9Å; E109-K195 IonicContact OE1-NZ 3.49Å; E109-K195 PolarHBondContact OE1-NZ 2.96Å; E109-K195 IonicContact OE2-NZ 2.87Å
110L97.1Very high91.9Very high0 Ų051.2 Ų51.20%026%0.255CS..Hα-helixtrans-58.5-51.6178.4174.464.1000111.5L19 F23 M78 L80 I101 F105 N106 P107 I112 R113 A114L19-L110 HydrophobicContact CD2-CD2 3.35Å; F23-L110 HydrophobicContact CE2-CD2 3.93Å; F23-L110 HydrophobicContact CE2-CG 4.23Å; F23-L110 HydrophobicContact CZ-CD1 4.08Å; F23-L110 HydrophobicContact CZ-CD2 3.93Å; F23-L110 HydrophobicContact CZ-CG 3.71Å; M78-L110 HydrophobicContact SD-CD1 3.7Å; L80-L110 HydrophobicContact CD2-CD1 4.45Å; L80-L110 HydrophobicContact CD2-CD2 4.27Å; I101-L110 HydrophobicContact CD1-CD1 3.75Å; F105-L110 HydrophobicContact CD2-CB 4.12Å; F105-L110 HydrophobicContact CD2-CD2 3.84Å; F105-L110 HydrophobicContact CE2-CD2 3.6Å; F105-L110 HydrophobicContact CZ-CD2 4.35Å; N106-L110 PolarHBondContact O-N 2.68Å; P107-L110 PolarHBondContact O-N 2.95Å; L110-I112 PolarHBondContact O-N 3.03Å; L110-R113 PolarHBondContact O-N 3.18Å; L110-A114 WeakPolarHBondContact O-CB 3.1Å; L110-A114 PolarHBondContact O-N 3.16Å
111T96.2Very high89.7Confident6 Ų653.3 Ų53.34%0.03727%0.27CS..Hα-helixtrans-63.4-39.4-179.448.90000112.5I22 F23 E26 P107 R108 R115I22-T111 HydrophobicContact CG2-CG2 3.26Å; F23-T111 HydrophobicContact CE1-CG2 4.36Å; E26-T111 HydrophobicContact CG-CG2 3.65Å; P107-T111 WeakPolarHBondContact O-CG2 3.46Å; P107-T111 PolarHBondContact O-N 3.25Å; P107-T111 PolarHBondContact O-OG1 2.73Å; R108-T111 WeakPolarHBondContact CA-OG1 3.5Å; R108-T111 PolarHBondContact O-OG1 2.88Å; R108-T111 VanDerWaalsContact O-OG1 3.05Å; T111-R115 WeakPolarHBondContact O-CB 3.28Å; T111-R115 PolarHBondContact O-N 3.34Å
112I94.3Very high87.2Confident68 Ų6858.1 Ų58.135%0.34929%0.293SS..Hα-helixtrans-62.9-46.6174.9-71.4168000110.8R108 E109 L110 R115 N116R108-I112 HydrophobicContact CG-CD1 4.01Å; R108-I112 WeakPolarHBondContact O-CB 3.14Å; R108-I112 WeakPolarHBondContact O-CD1 3.5Å; R108-I112 WeakPolarHBondContact O-CG1 3.41Å; R108-I112 PolarHBondContact O-N 3.15Å; R108-I112 VanDerWaalsContact O-N 3.13Å; E109-I112 PolarHBondContact O-N 3.02Å; L110-I112 PolarHBondContact O-N 3.03Å; I112-R115 PolarHBondContact O-N 3.03Å; I112-N116 WeakPolarHBondContact O-CB 3.36Å; I112-N116 PolarHBondContact O-N 3.16Å; I112-N116 PolarHBondContact O-ND2 2.83Å
113R94Very high84.7Confident17 Ų1759.8 Ų59.86%0.06430%0.3CS..Hα-helixtrans-64.2-45.3179.7-72.2172.4173.2-125.917.2111.4M78 D99 I101 E109 L110 N116 L117M78-R113 HydrophobicContact CE-CB 3.64Å; D99-R113 IonicContact OD1-NH1 2.96Å; D99-R113 PolarHBondContact OD1-NH1 3.1Å; D99-R113 WeakPolarHBondContact OD2-CD 3.23Å; D99-R113 IonicContact OD2-CZ 3.09Å; D99-R113 IonicContact OD2-NE 2.68Å; D99-R113 IonicContact OD2-NH1 3.61Å; D99-R113 PolarHBondContact OD2-NH1 3.14Å; I101-R113 HydrophobicContact CD1-CB 4.36Å; E109-R113 HydrophobicContact CG-CG 4.42Å; E109-R113 WeakPolarHBondContact O-CB 3.22Å; E109-R113 VanDerWaalsContact O-CG 3.31Å; E109-R113 WeakPolarHBondContact O-CG 3.37Å; E109-R113 PolarHBondContact O-N 3.27Å; E109-R113 IonicContact OE1-CZ 3.83Å; E109-R113 IonicContact OE1-NE 3.16Å; E109-R113 PolarHBondContact OE1-NE 3.23Å; E109-R113 IonicContact OE1-NH2 3.03Å; E109-R113 PolarHBondContact OE1-NH2 2.9Å; L110-R113 PolarHBondContact O-N 3.18Å; R113-N116 PolarHBondContact O-N 3.16Å; R113-L117 WeakPolarHBondContact O-CG 3.43Å; R113-L117 PolarHBondContact O-N 3.38Å
114A94.8Very high82.2Confident0 Ų062.1 Ų62.10%031%0.314CS..Hα-helixtrans-60.4-47.3175.500000111.7F23 L50 L110 N116 L117 L118F23-A114 HydrophobicContact CE1-CB 3.5Å; F23-A114 VanDerWaalsContact CE1-CB 3.5Å; F23-A114 HydrophobicContact CZ-CB 3.9Å; L50-A114 HydrophobicContact CD2-CB 3.64Å; L110-A114 WeakPolarHBondContact O-CB 3.1Å; L110-A114 PolarHBondContact O-N 3.16Å; A114-N116 VanDerWaalsContact C-N 3.3Å; A114-N116 PolarHBondContact O-N 2.94Å; A114-L117 CarbonylContact O-C 3.43Å; A114-L117 WeakPolarHBondContact O-CA 3.39Å; A114-L117 WeakPolarHBondContact O-CB 3.22Å; A114-L117 PolarHBondContact O-N 3.27Å; A114-L117 VanDerWaalsContact O-N 3.09Å; A114-L118 WeakPolarHBondContact O-CB 3.36Å; A114-L118 WeakPolarHBondContact O-CG 3.4Å; A114-L118 PolarHBondContact O-N 2.86Å
115R92.9Very high79.4Confident95 Ų9557.2 Ų57.236%0.35829%0.288SS..Hα-helixtrans-58.7-41.1175.8-169.9-171.9-56.4131.40.4111.8E26 T111 I112 L117 L118 S119E26-R115 IonicContact OE1-NH2 3.2Å; E26-R115 IonicContact OE2-CZ 2.64Å; E26-R115 IonicContact OE2-NH2 3.73Å; E26-R115 PolarHBondContact OE2-NH2 3.05Å; T111-R115 WeakPolarHBondContact O-CB 3.28Å; T111-R115 PolarHBondContact O-N 3.34Å; I112-R115 PolarHBondContact O-N 3.03Å; R115-L117 VanDerWaalsContact C-N 3.33Å; R115-L118 PolarHBondContact O-N 3.49Å; R115-S119 WeakPolarHBondContact O-CB 3.41Å; R115-S119 PolarHBondContact O-N 2.87Å; R115-S119 PolarHBondContact O-OG 3.26Å
116N90.7Very high76.8Confident34 Ų3461.2 Ų61.218%0.18232%0.316CS..Hα-helixtrans-64.8-38.1176.2-71.8-19.9000112.1I112 R113 A114 R120 T190 G191I112-N116 WeakPolarHBondContact O-CB 3.36Å; I112-N116 PolarHBondContact O-N 3.16Å; I112-N116 PolarHBondContact O-ND2 2.83Å; R113-N116 PolarHBondContact O-N 3.16Å; A114-N116 VanDerWaalsContact C-N 3.3Å; A114-N116 PolarHBondContact O-N 2.94Å; N116-R120 VanDerWaalsContact O-CD 3.32Å; N116-R120 WeakPolarHBondContact O-CD 3.26Å; N116-T190 VanDerWaalsContact CB-O 3.31Å; N116-T190 WeakPolarHBondContact CB-O 3.37Å; N116-G191 PolarHBondContact ND2-O 3.05Å; N116-G191 VanDerWaalsContact ND2-O 3.08Å
117L90.2Very high74.1Confident1 Ų159.3 Ų59.31%0.00531%0.307CS..Hα-helixtrans-66.8-38.1172.7-68.4-175.9000111.8L50 A76 M78 D98 D99 R113 A114 R115 R163L50-L117 HydrophobicContact CD1-CD1 3.97Å; A76-L117 HydrophobicContact CB-CB 4.31Å; M78-L117 HydrophobicContact CB-CD1 4.32Å; M78-L117 HydrophobicContact CE-CD1 3.64Å; M78-L117 HydrophobicContact CE-CG 4.46Å; D98-L117 HydrophobicContact CB-CD1 4.07Å; D98-L117 HydrophobicContact CB-CD2 3.75Å; D99-L117 HydrophobicContact CB-CD1 4.35Å; R113-L117 WeakPolarHBondContact O-CG 3.43Å; R113-L117 PolarHBondContact O-N 3.38Å; A114-L117 CarbonylContact O-C 3.43Å; A114-L117 WeakPolarHBondContact O-CA 3.39Å; A114-L117 WeakPolarHBondContact O-CB 3.22Å; A114-L117 PolarHBondContact O-N 3.27Å; A114-L117 VanDerWaalsContact O-N 3.09Å; R115-L117 VanDerWaalsContact C-N 3.33Å; L117-R163 PolarHBondContact O-NE 3.26Å; L117-R163 PolarHBondContact O-NH2 3.21Å
118L90.1Very high71.5Confident13 Ų1359 Ų597%0.06831%0.307CS..Hα-helixtrans-81.1-51.3-175.7-71.4168000114P4 I6 Y28 N49 L50 A114 R115 R120 T121P4-L118 HydrophobicContact CB-CD1 4.34Å; P4-L118 HydrophobicContact CB-CD2 3.99Å; I6-L118 HydrophobicContact CD1-CD1 3.84Å; I6-L118 HydrophobicContact CG1-CD1 4.11Å; Y28-L118 HydrophobicContact CD1-CD1 3.96Å; Y28-L118 HydrophobicContact CE1-CD1 3.48Å; Y28-L118 VanDerWaalsContact CE1-CD1 3.48Å; N49-L118 HydrophobicContact CB-CD2 3.6Å; L50-L118 HydrophobicContact CB-CD2 3.66Å; L50-L118 HydrophobicContact CB-CG 4.18Å; L50-L118 HydrophobicContact CD2-CD1 4.19Å; L50-L118 HydrophobicContact CD2-CG 4.26Å; A114-L118 WeakPolarHBondContact O-CB 3.36Å; A114-L118 WeakPolarHBondContact O-CG 3.4Å; A114-L118 PolarHBondContact O-N 2.86Å; R115-L118 PolarHBondContact O-N 3.49Å; L118-R120 PolarHBondContact O-N 2.92Å; L118-T121 PolarHBondContact O-N 3.49Å; L118-T121 VanDerWaalsContact O-N 3.14Å
119S78.6Confident69.1Low54 Ų5457.4 Ų57.438%0.37831%0.308SS..Hα-helixtrans-56.6-20.6-171.854.20000114.9R115R115-S119 WeakPolarHBondContact O-CB 3.41Å; R115-S119 PolarHBondContact O-N 2.87Å; R115-S119 PolarHBondContact O-OG 3.26Å
120R62.1Low66.8Low77 Ų7762.5 Ų62.529%0.29133%0.332SS..THydrogen-bonded Turntrans-98.44.6-173.2-64.2174.8-176.6-158.8-8.5114N116 L118 M122 R167 K187 K188 G191N116-R120 VanDerWaalsContact O-CD 3.32Å; N116-R120 WeakPolarHBondContact O-CD 3.26Å; L118-R120 PolarHBondContact O-N 2.92Å; R120-M122 VanDerWaalsContact C-N 3.34Å; R120-R167 PolarHBondContact O-NH2 3.42Å; R120-R167 VanDerWaalsContact O-NH2 3.16Å; R120-K187 PolarHBondContact NH1-O 2.75Å; R120-K187 PolarHBondContact NH2-O 2.74Å; R120-K188 PolarHBondContact NH1-O 3.29Å; R120-G191 VanDerWaalsContact NH1-CA 3.26Å
121T49.6Very low64.7Low58 Ų5868.7 Ų68.736%0.35636%0.355SS..THydrogen-bonded Turntrans-76.7-27.5165.2-50.30000110.6L118 R163L118-T121 PolarHBondContact O-N 3.49Å; L118-T121 VanDerWaalsContact O-N 3.14Å; T121-R163 VanDerWaalsContact OG1-CZ 3.23Å; T121-R163 PolarHBondContact OG1-NH1 3.29Å; T121-R163 PolarHBondContact OG1-NH2 3.45Å
122M41.4Very low62.6Low110 Ų11075.7 Ų75.754%0.54238%0.381SS..THydrogen-bonded Turntrans-102.8-21.3-175.4-64.4-153.9-175.500114.5M1 R120M1-M122 HydrophobicContact CG-SD 4.22Å; M1-M122 HydrophobicContact SD-SD 4.32Å; R120-M122 VanDerWaalsContact C-N 3.34Å
123N40.7Very low61.5Low97 Ų9777 Ų7752%0.51940%0.396SS..  trans-110.357.6-175.8-72.9-12.9000113.5G125N123-G125 PolarHBondContact O-N 2.8Å
124L43.3Very low61.2Low94 Ų9478.6 Ų78.649%0.49241%0.407SS..  trans-66.2-5.8144.9-77.6161.1000111.1T126 L170L124-T126 PolarHBondContact O-N 2.89Å; L124-L170 HydrophobicContact CD2-CD2 3.93Å
125G36.5Very low61.1Low32 Ų3285.1 Ų85.133%0.3344%0.438SS..THydrogen-bonded Turntrans-76.9-4.3-172.100000118.4N123 R132N123-G125 PolarHBondContact O-N 2.8Å; G125-R132 PolarHBondContact O-NH2 3.03Å
126T39.2Very low61.2Low126 Ų12682.4 Ų82.477%0.77343%0.433SS*.THydrogen-bonded Turntrans-95.9-0.9176.950.50000114.3L124L124-T126 PolarHBondContact O-N 2.89Å
127V39.4Very low61.5Low49 Ų4982.6 Ų82.630%0.29743%0.432SS..SBendtrans-90.9135.9166.9-166.60000107.3R131V127-R131 HydrophobicContact CG1-CB 4.07Å; V127-R131 VanDerWaalsContact CG1-CD 3.45Å; V127-R131 HydrophobicContact CG1-CG 3.98Å; V127-R131 VanDerWaalsContact CG1-NH1 3.27Å
128S41Very low61.9Low60 Ų6087 Ų8742%0.4245%0.451SS..  trans-38.8145.2-170.847.80000113.8E130 R131S128-E130 PolarHBondContact O-N 2.73Å; S128-R131 PolarHBondContact O-N 3.26Å
129E43.7Very low62.2Low155 Ų15586.3 Ų86.372%0.72445%0.447SS*.G310 helixtrans-49.5-29.4178.7-71179.6153.300113.2R131 R132E129-R131 VanDerWaalsContact C-N 3.29Å; E129-R131 PolarHBondContact O-N 3.46Å; E129-R132 WeakPolarHBondContact O-CB 3.26Å; E129-R132 PolarHBondContact O-N 3.29Å; E129-R132 IonicContact OE1-NH1 2.99Å
130E48Very low63Low167 Ų16786 Ų8678%0.7844%0.441SS*.G310 helixtrans-62.8-25.4174.8-65.3170.4167.600114.6S128 S133S128-E130 PolarHBondContact O-N 2.73Å; E130-S133 PolarHBondContact O-OG 3.38Å
131R51.8Low64.6Low130 Ų13084.2 Ų84.249%0.49145%0.447SS..G310 helixtrans-90.9-9176.5-60-157-160.3153.8-5113.8V127 S128 E129 S133 V134V127-R131 HydrophobicContact CG1-CB 4.07Å; V127-R131 VanDerWaalsContact CG1-CD 3.45Å; V127-R131 HydrophobicContact CG1-CG 3.98Å; V127-R131 VanDerWaalsContact CG1-NH1 3.27Å; S128-R131 PolarHBondContact O-N 3.26Å; E129-R131 VanDerWaalsContact C-N 3.29Å; E129-R131 PolarHBondContact O-N 3.46Å; R131-S133 PolarHBondContact O-N 3.34Å; R131-V134 PolarHBondContact O-N 2.69Å
132R52.8Low66.9Low153 Ų15381.6 Ų81.658%0.57743%0.43SS*.THydrogen-bonded Turntrans-69.3-13.1177.4-72.6-175.8-177149.34113.3G125 E129G125-R132 PolarHBondContact O-NH2 3.03Å; E129-R132 WeakPolarHBondContact O-CB 3.26Å; E129-R132 PolarHBondContact O-N 3.29Å; E129-R132 IonicContact OE1-NH1 2.99Å
133S71.9Confident69.6Low95 Ų9578.7 Ų78.766%0.66442%0.416SS*.THydrogen-bonded Turntrans-90.9-7.8-179.158.50000114.5E130 R131 E135E130-S133 PolarHBondContact O-OG 3.38Å; R131-S133 PolarHBondContact O-N 3.34Å; S133-E135 PolarHBondContact O-N 2.96Å
134V87Confident72.3Confident50 Ų5074 Ų7430%0.30339%0.391SS..  trans-76.7116.7175.3-174.90000107.7R131 S136 Y137 I146R131-V134 PolarHBondContact O-N 2.69Å; V134-S136 VanDerWaalsContact CG1-O 3.29Å; V134-S136 WeakPolarHBondContact CG1-O 3.49Å; V134-Y137 HydrophobicContact CG1-CD1 4.37Å; V134-Y137 HydrophobicContact CG1-CD2 4.27Å; V134-Y137 HydrophobicContact CG1-CE1 3.98Å; V134-Y137 HydrophobicContact CG1-CE2 3.88Å; V134-Y137 HydrophobicContact CG1-CG 4.5Å; V134-I146 HydrophobicContact CB-CD1 4.42Å; V134-I146 HydrophobicContact CG1-CD1 4.1Å; V134-I146 WeakPolarHBondContact O-CD1 3.48Å
135E91.9Very high74.8Confident138 Ų13871.1 Ų71.165%0.64538%0.376SS*.  trans-92-27.1177.3-63-175.8155.500111.7S133 I146S133-E135 PolarHBondContact O-N 2.96Å; E135-I146 WeakPolarHBondContact O-CB 3.39Å; E135-I146 PolarHBondContact O-N 3.36Å
136S95.4Very high77.5Confident37 Ų3770.9 Ų70.926%0.25937%0.367SS..EExtended strand (participates in β ladder)trans-155155.1-176.563.10000112V134 E143 L144V134-S136 VanDerWaalsContact CG1-O 3.29Å; V134-S136 WeakPolarHBondContact CG1-O 3.49Å; S136-E143 VanDerWaalsContact CB-OE1 3.27Å; S136-E143 WeakPolarHBondContact CB-OE1 3.4Å; S136-L144 CarbonylContact C-O 3.55Å; S136-L144 WeakPolarHBondContact CA-O 3.26Å
137Y97.3Very high79.8Confident39 Ų3970.9 Ų70.915%0.15336%0.362CS..EExtended strand (participates in β ladder)trans-114126165.6-67.7-84.8000110V134 E143 L144 I146 L170 C173 L236V134-Y137 HydrophobicContact CG1-CD1 4.37Å; V134-Y137 HydrophobicContact CG1-CD2 4.27Å; V134-Y137 HydrophobicContact CG1-CE1 3.98Å; V134-Y137 HydrophobicContact CG1-CE2 3.88Å; V134-Y137 HydrophobicContact CG1-CG 4.5Å; Y137-E143 CarbonylContact O-C 3.59Å; Y137-E143 WeakPolarHBondContact O-CA 3.5Å; Y137-L144 HydrophobicContact CD2-CD2 4.44Å; Y137-L144 PolarHBondContact N-O 3.1Å; Y137-L144 PolarHBondContact O-N 3.41Å; Y137-I146 HydrophobicContact CD2-CD1 4.02Å; Y137-I146 HydrophobicContact CD2-CG1 4.48Å; Y137-I146 HydrophobicContact CE2-CD1 3.66Å; Y137-L170 HydrophobicContact CD2-CD1 4.2Å; Y137-L170 HydrophobicContact CE2-CD1 3.6Å; Y137-C173 HydrophobicContact CD1-CB 3.84Å; Y137-C173 HydrophobicContact CD2-CB 3.72Å; Y137-C173 HydrophobicContact CE1-CB 4.33Å; Y137-C173 HydrophobicContact CE2-CB 4.22Å; Y137-C173 HydrophobicContact CG-CB 3.5Å; Y137-L236 HydrophobicContact CD1-CD2 4.4Å
138K97.5Very high82.2Confident92 Ų9270.7 Ų70.740%0.436%0.363SS..EExtended strand (participates in β ladder)trans-104140.6177.6-69.2179.6179.2-176.40110.9W142 E143 L236 E237K138-W142 CarbonylContact C-O 3.53Å; K138-W142 VanDerWaalsContact CA-O 3.28Å; K138-W142 WeakPolarHBondContact CA-O 3.22Å; K138-E143 WeakPolarHBondContact CE-OE2 3.42Å; K138-E143 HydrophobicContact CG-CB 4.14Å; K138-E143 HydrophobicContact CG-CG 3.94Å; K138-E143 IonicContact NZ-OE2 3.11Å; K138-L236 CarbonylContact O-C 3.13Å; K138-L236 WeakPolarHBondContact O-CA 3.49Å; K138-E237 HydrophobicContact CB-CB 3.95Å; K138-E237 HydrophobicContact CB-CG 4.25Å; K138-E237 PolarHBondContact O-N 3.31Å
139F97.3Very high84.7Confident0 Ų071.1 Ų71.10%036%0.355CS..EExtended strand (participates in β ladder)trans-161131.8178.353.6-85.4000111.7G141 W142 L144 L151 M169 F212 I221 F232 D235 L236F139-G141 PolarHBondContact O-N 3.05Å; F139-W142 HydrophobicContact CD2-CB 3.95Å; F139-W142 HydrophobicContact CE1-CB 4.38Å; F139-W142 HydrophobicContact CE2-CB 3.56Å; F139-W142 HydrophobicContact CE2-CG 4.1Å; F139-W142 HydrophobicContact CG-CB 4.49Å; F139-W142 HydrophobicContact CZ-CB 3.8Å; F139-W142 PolarHBondContact N-O 3.08Å; F139-W142 WeakPolarHBondContact O-CA 3.31Å; F139-W142 VanDerWaalsContact O-CB 3.3Å; F139-W142 WeakPolarHBondContact O-CB 3.5Å; F139-W142 PolarHBondContact O-N 2.68Å; F139-L144 HydrophobicContact CE1-CB 4.29Å; F139-L151 HydrophobicContact CZ-CD2 4.07Å; F139-M169 HydrophobicContact CE1-CE 4.17Å; F139-M169 HydrophobicContact CE2-CE 4.4Å; F139-M169 HydrophobicContact CZ-CE 3.62Å; F139-F212 AromaticContact CE2-CE1 3.96Å; F139-F212 HydrophobicContact CE2-CE1 3.96Å; F139-F212 HydrophobicContact CE2-CZ 4.08Å; F139-F212 HydrophobicContact CZ-CE1 4.19Å; F139-F212 HydrophobicContact CZ-CZ 4.19Å; F139-I221 HydrophobicContact CD2-CD1 4.27Å; F139-I221 HydrophobicContact CD2-CG2 4.05Å; F139-I221 HydrophobicContact CE2-CG2 3.68Å; F139-F232 HydrophobicContact CB-CZ 4.22Å; F139-F232 AromaticContact CD1-CZ 3.91Å; F139-F232 HydrophobicContact CD1-CZ 3.91Å; F139-F232 HydrophobicContact CD2-CE2 4.25Å; F139-F232 AromaticContact CD2-CZ 3.78Å; F139-F232 HydrophobicContact CD2-CZ 3.78Å; F139-F232 HydrophobicContact CE1-CZ 4.24Å; F139-F232 HydrophobicContact CE2-CE2 4.19Å; F139-F232 HydrophobicContact CE2-CZ 4.12Å; F139-F232 AromaticContact CG-CZ 3.68Å; F139-F232 HydrophobicContact CG-CZ 3.68Å; F139-F232 HydrophobicContact CZ-CE2 4.38Å; F139-F232 HydrophobicContact CZ-CZ 4.34Å; F139-D235 WeakPolarHBondContact CA-O 3.42Å; F139-D235 WeakPolarHBondContact CB-O 3.29Å; F139-L236 HydrophobicContact CB-CD2 4.12Å; F139-L236 HydrophobicContact CD1-CD2 4.19Å
140N96Very high87.2Confident47 Ų4763.8 Ų63.825%0.25132%0.321SS..THydrogen-bonded Turntrans48.537.3175.6-54.191.7000113.8W142 P219 I221 G234 D235N140-W142 PolarHBondContact O-N 3.16Å; N140-P219 HydrophobicContact CB-CG 4.38Å; N140-I221 HydrophobicContact CB-CD1 3.91Å; N140-G234 WeakPolarHBondContact OD1-CA 3.09Å; N140-D235 PolarHBondContact ND2-OD2 3.24Å; N140-D235 PolarHBondContact OD1-N 2.97Å
141G95.3Very high89.5Confident40 Ų4055.9 Ų55.941%0.41228%0.284SS..THydrogen-bonded Turntrans77.4-0.4-176.500000115.7F139 P154F139-G141 PolarHBondContact O-N 3.05Å; G141-P154 WeakPolarHBondContact O-CA 3.43Å
142W97.3Very high91.6Very high2 Ų251.5 Ų51.51%0.00827%0.27CS..EExtended strand (participates in β ladder)trans-93.3154.1170.5-68.981.9000111.3K138 F139 N140 L151 I152 Y159 H211 F212 T215K138-W142 CarbonylContact C-O 3.53Å; K138-W142 VanDerWaalsContact CA-O 3.28Å; K138-W142 WeakPolarHBondContact CA-O 3.22Å; F139-W142 HydrophobicContact CD2-CB 3.95Å; F139-W142 HydrophobicContact CE1-CB 4.38Å; F139-W142 HydrophobicContact CE2-CB 3.56Å; F139-W142 HydrophobicContact CE2-CG 4.1Å; F139-W142 HydrophobicContact CG-CB 4.49Å; F139-W142 HydrophobicContact CZ-CB 3.8Å; F139-W142 PolarHBondContact N-O 3.08Å; F139-W142 WeakPolarHBondContact O-CA 3.31Å; F139-W142 VanDerWaalsContact O-CB 3.3Å; F139-W142 WeakPolarHBondContact O-CB 3.5Å; F139-W142 PolarHBondContact O-N 2.68Å; N140-W142 PolarHBondContact O-N 3.16Å; W142-L151 HydrophobicContact CE3-CB 4.22Å; W142-L151 HydrophobicContact CZ3-CB 4.26Å; W142-I152 WeakPolarHBondContact CA-O 3.2Å; W142-Y159 HydrophobicContact CH2-CD2 4.44Å; W142-Y159 AromaticContact CH2-CE2 3.88Å; W142-Y159 HydrophobicContact CH2-CE2 3.88Å; W142-Y159 AromaticContact CZ3-CD2 3.95Å; W142-Y159 HydrophobicContact CZ3-CD2 3.95Å; W142-Y159 AromaticContact CZ3-CE2 3.78Å; W142-Y159 HydrophobicContact CZ3-CE2 3.78Å; W142-H211 HydrophobicContact CH2-CB 4.33Å; W142-H211 WeakPolarHBondContact CH2-O 3.13Å; W142-H211 WeakPolarHBondContact CZ2-O 3.48Å; W142-H211 HydrophobicContact CZ3-CB 4.45Å; W142-F212 AromaticContact CD2-CD1 3.73Å; W142-F212 HydrophobicContact CD2-CD1 3.73Å; W142-F212 AromaticContact CD2-CE1 3.85Å; W142-F212 HydrophobicContact CD2-CE1 3.85Å; W142-F212 AromaticContact CE2-CD1 3.6Å; W142-F212 HydrophobicContact CE3-CD1 4.07Å; W142-F212 AromaticContact CE3-CE1 3.96Å; W142-F212 HydrophobicContact CE3-CE1 3.96Å; W142-F212 HydrophobicContact CG-CD1 4.25Å; W142-F212 HydrophobicContact CG-CE1 4.21Å; W142-F212 HydrophobicContact CH2-CD1 4.19Å; W142-F212 AromaticContact CZ2-CD1 3.84Å; W142-F212 HydrophobicContact CZ2-CD1 3.84Å; W142-F212 HydrophobicContact CZ3-CD1 4.28Å; W142-F212 HydrophobicContact CZ3-CE1 4.42Å; W142-T215 HydrophobicContact CZ2-CG2 4.26Å; W142-T215 VanDerWaalsContact CZ2-OG1 3.27Å; W142-T215 WeakPolarHBondContact CZ2-OG1 3.48Å
143E97.7Very high93.7Very high49 Ų4944.4 Ų44.423%0.22925%0.245CC..EExtended strand (participates in β ladder)trans-130.9127.4172.2-175.9179.8150.700110.5S136 Y137 K138 L151 I152S136-E143 VanDerWaalsContact CB-OE1 3.27Å; S136-E143 WeakPolarHBondContact CB-OE1 3.4Å; Y137-E143 CarbonylContact O-C 3.59Å; Y137-E143 WeakPolarHBondContact O-CA 3.5Å; K138-E143 WeakPolarHBondContact CE-OE2 3.42Å; K138-E143 HydrophobicContact CG-CB 4.14Å; K138-E143 HydrophobicContact CG-CG 3.94Å; K138-E143 IonicContact NZ-OE2 3.11Å; E143-L151 CarbonylContact O-C 3.57Å; E143-L151 WeakPolarHBondContact O-CA 3.44Å; E143-I152 HydrophobicContact CB-CB 4.19Å; E143-I152 PolarHBondContact N-O 3.14Å; E143-I152 PolarHBondContact O-N 3.04Å
144L97.8Very high94.8Very high0 Ų043.4 Ų43.40%024%0.236CC..EExtended strand (participates in β ladder)trans-92.4103164.7179.571.6000108.8S136 Y137 F139 L151 L161 F166 M169 L170S136-L144 CarbonylContact C-O 3.55Å; S136-L144 WeakPolarHBondContact CA-O 3.26Å; Y137-L144 HydrophobicContact CD2-CD2 4.44Å; Y137-L144 PolarHBondContact N-O 3.1Å; Y137-L144 PolarHBondContact O-N 3.41Å; F139-L144 HydrophobicContact CE1-CB 4.29Å; L144-L151 HydrophobicContact CB-CD2 4.12Å; L144-L151 HydrophobicContact CD1-CD2 3.95Å; L144-L151 HydrophobicContact CD1-CG 4.4Å; L144-L161 HydrophobicContact CD1-CD1 3.94Å; L144-F166 HydrophobicContact CD1-CD2 4.02Å; L144-F166 HydrophobicContact CD1-CE2 4.19Å; L144-F166 HydrophobicContact CG-CE2 4.47Å; L144-M169 HydrophobicContact CD1-CB 3.94Å; L144-M169 HydrophobicContact CD2-CB 3.93Å; L144-L170 HydrophobicContact CD2-CB 4.22Å
145D95.3Very high95.1Very high33 Ų3346.5 Ų46.518%0.17625%0.251CS..EExtended strand (participates in β ladder)trans-81.8121.3174.2175.8-20.1000110N147 S148 R149 S150 I152D145-N147 WeakPolarHBondContact OD1-CA 3.41Å; D145-N147 PolarHBondContact OD1-N 2.99Å; D145-S148 WeakPolarHBondContact CB-OG 3.33Å; D145-S148 PolarHBondContact OD1-N 3.47Å; D145-S148 PolarHBondContact OD1-OG 3.24Å; D145-S148 WeakPolarHBondContact OD2-CB 3.3Å; D145-S148 PolarHBondContact OD2-OG 3.49Å; D145-R149 VanDerWaalsContact O-CA 3.24Å; D145-R149 WeakPolarHBondContact O-CA 3.14Å; D145-R149 PolarHBondContact O-N 2.97Å; D145-S150 PolarHBondContact N-O 2.96Å; D145-S150 PolarHBondContact O-N 3.03Å; D145-I152 HydrophobicContact CB-CD1 4.29Å
146I93Very high95.2Very high27 Ų2742.4 Ų42.414%0.13825%0.246CC..THydrogen-bonded Turntrans-76.7-35.6-174.9-60.8-178.3000111.6V134 E135 Y137 F166 L170V134-I146 HydrophobicContact CB-CD1 4.42Å; V134-I146 HydrophobicContact CG1-CD1 4.1Å; V134-I146 WeakPolarHBondContact O-CD1 3.48Å; E135-I146 WeakPolarHBondContact O-CB 3.39Å; E135-I146 PolarHBondContact O-N 3.36Å; Y137-I146 HydrophobicContact CD2-CD1 4.02Å; Y137-I146 HydrophobicContact CD2-CG1 4.48Å; Y137-I146 HydrophobicContact CE2-CD1 3.66Å; I146-F166 HydrophobicContact CG2-CZ 4.24Å; I146-L170 HydrophobicContact CD1-CD1 4.06Å; I146-L170 HydrophobicContact CG1-CD1 4.36Å
147N89Confident95.2Very high126 Ų12645.3 Ų45.367%0.67426%0.255SS*.THydrogen-bonded Turntrans-73.7-49.2-177-73.3-40.7000110.7D145 R149D145-N147 WeakPolarHBondContact OD1-CA 3.41Å; D145-N147 PolarHBondContact OD1-N 2.99Å; N147-R149 VanDerWaalsContact C-N 3.32Å
148S90.1Very high95Very high44 Ų4448.5 Ų48.531%0.30827%0.271SS..THydrogen-bonded Turntrans-82.3-10.2178.774.70000113.4D145 S150 Q158D145-S148 WeakPolarHBondContact CB-OG 3.33Å; D145-S148 PolarHBondContact OD1-N 3.47Å; D145-S148 PolarHBondContact OD1-OG 3.24Å; D145-S148 WeakPolarHBondContact OD2-CB 3.3Å; D145-S148 PolarHBondContact OD2-OG 3.49Å; S148-S150 VanDerWaalsContact C-N 3.32Å; S148-S150 PolarHBondContact O-N 3.14Å; S148-S150 PolarHBondContact O-OG 3.38Å; S148-S150 VanDerWaalsContact O-OG 3.08Å; S148-S150 WeakPolarHBondContact OG-CB 3.46Å; S148-S150 PolarHBondContact OG-OG 3.01Å; S148-Q158 PolarHBondContact OG-NE2 3.42Å
149R92.9Very high94.8Very high70 Ų7046 Ų4626%0.26426%0.26SS..THydrogen-bonded Turntrans52.649.2-176.8-56.2-174.9-176.6156.28.4112.2D145 N147 L161 F166D145-R149 VanDerWaalsContact O-CA 3.24Å; D145-R149 WeakPolarHBondContact O-CA 3.14Å; D145-R149 PolarHBondContact O-N 2.97Å; N147-R149 VanDerWaalsContact C-N 3.32Å; R149-L161 WeakPolarHBondContact O-CB 3.24Å; R149-L161 PolarHBondContact O-N 2.64Å; R149-F166 HydrophobicContact CB-CB 4.46Å; R149-F166 HydrophobicContact CB-CD1 4.36Å; R149-F166 HydrophobicContact CB-CD2 3.65Å; R149-F166 HydrophobicContact CB-CE2 3.95Å; R149-F166 HydrophobicContact CB-CG 3.88Å; R149-F166 HydrophobicContact CB-CZ 4.41Å; R149-F166 HydrophobicContact CG-CD1 4.05Å; R149-F166 HydrophobicContact CG-CD2 4Å; R149-F166 HydrophobicContact CG-CE1 3.95Å; R149-F166 HydrophobicContact CG-CE2 3.91Å; R149-F166 HydrophobicContact CG-CG 4.07Å; R149-F166 HydrophobicContact CG-CZ 3.87Å
150S94.8Very high94.5Very high1 Ų152.4 Ų52.41%0.00729%0.288CS..EExtended strand (participates in β ladder)trans-130.9152.8-173.7-58.10000111D145 S148 Q158 Y159D145-S150 PolarHBondContact N-O 2.96Å; D145-S150 PolarHBondContact O-N 3.03Å; S148-S150 VanDerWaalsContact C-N 3.32Å; S148-S150 PolarHBondContact O-N 3.14Å; S148-S150 PolarHBondContact O-OG 3.38Å; S148-S150 VanDerWaalsContact O-OG 3.08Å; S148-S150 WeakPolarHBondContact OG-CB 3.46Å; S148-S150 PolarHBondContact OG-OG 3.01Å; S150-Q158 VanDerWaalsContact CB-NE2 3.33Å; S150-Q158 PolarHBondContact OG-NE2 3.14Å; S150-Y159 CarbonylContact C-O 3.58Å; S150-Y159 WeakPolarHBondContact CA-O 3.49Å; S150-Y159 WeakPolarHBondContact CB-O 3.44Å
151L96.8Very high94.4Very high0 Ų050.1 Ų50.10%028%0.276CS..EExtended strand (participates in β ladder)trans-92135.1160.8-76.2171.4000108.8F139 W142 E143 L144 Q158 Y159 L161 M169 H211 F212F139-L151 HydrophobicContact CZ-CD2 4.07Å; W142-L151 HydrophobicContact CE3-CB 4.22Å; W142-L151 HydrophobicContact CZ3-CB 4.26Å; E143-L151 CarbonylContact O-C 3.57Å; E143-L151 WeakPolarHBondContact O-CA 3.44Å; L144-L151 HydrophobicContact CB-CD2 4.12Å; L144-L151 HydrophobicContact CD1-CD2 3.95Å; L144-L151 HydrophobicContact CD1-CG 4.4Å; L151-Q158 CarbonylContact O-C 3.58Å; L151-Q158 WeakPolarHBondContact O-CA 3.4Å; L151-Y159 HydrophobicContact CB-CD2 4.49Å; L151-Y159 PolarHBondContact N-O 3.25Å; L151-Y159 PolarHBondContact O-N 3.48Å; L151-L161 HydrophobicContact CD1-CD1 4.17Å; L151-L161 HydrophobicContact CD1-CD2 3.99Å; L151-L161 HydrophobicContact CD1-CG 4.48Å; L151-L161 HydrophobicContact CG-CD1 3.88Å; L151-L161 HydrophobicContact CG-CD2 4.22Å; L151-L161 HydrophobicContact CG-CG 4.23Å; L151-M169 HydrophobicContact CD2-CE 4.28Å; L151-H211 HydrophobicContact CD1-CB 4.34Å; L151-F212 HydrophobicContact CD1-CE1 3.82Å; L151-F212 HydrophobicContact CD1-CZ 3.87Å; L151-F212 HydrophobicContact CD2-CE1 4.36Å
152I97.3Very high94.2Very high38 Ų3848.8 Ų48.820%0.19526%0.259CS..EExtended strand (participates in β ladder)trans-111.9124.4172.8-54167.5000106.6W142 E143 D145 E157 Q158W142-I152 WeakPolarHBondContact CA-O 3.2Å; E143-I152 HydrophobicContact CB-CB 4.19Å; E143-I152 PolarHBondContact N-O 3.14Å; E143-I152 PolarHBondContact O-N 3.04Å; D145-I152 HydrophobicContact CB-CD1 4.29Å; I152-E157 CarbonylContact C-O 3.58Å; I152-E157 WeakPolarHBondContact CA-O 3.23Å; I152-Q158 HydrophobicContact CG1-CG 4.31Å
153G96.3Very high93.9Very high5 Ų549.1 Ų49.15%0.05226%0.261CS..  trans-78.6169.1179.800000113.1D155 G156 E157G153-D155 PolarHBondContact O-N 3.29Å; G153-D155 VanDerWaalsContact O-N 3.14Å; G153-G156 WeakPolarHBondContact O-CA 3.3Å; G153-G156 PolarHBondContact O-N 2.84Å; G153-E157 PolarHBondContact N-O 2.84Å
154P95.1Very high93.6Very high74 Ų7446.8 Ų46.848%0.48125%0.25SC..THydrogen-bonded Turntrans-59.4-22.5177.3-24.233.6000114.9G141 T215G141-P154 WeakPolarHBondContact O-CA 3.43Å; P154-T215 HydrophobicContact CG-CG2 4.22Å
155D93.1Very high93.4Very high114 Ų11446.9 Ų46.961%0.6125%0.25SS*.THydrogen-bonded Turntrans-89.6-1.1175.664.3-10.8000113.4G153 E157G153-D155 PolarHBondContact O-N 3.29Å; G153-D155 VanDerWaalsContact O-N 3.14Å; D155-E157 VanDerWaalsContact OD1-CB 3.32Å; D155-E157 WeakPolarHBondContact OD1-CB 3.32Å; D155-E157 PolarHBondContact OD1-N 2.85Å
156G94Very high93.4Very high53 Ų5345.8 Ų45.855%0.54624%0.244SC..  trans83.44.7-175.200000114.4G153 Q158G153-G156 WeakPolarHBondContact O-CA 3.3Å; G153-G156 PolarHBondContact O-N 2.84Å; G156-Q158 PolarHBondContact O-N 2.93Å
157E94.3Very high93.4Very high98 Ų9845.9 Ų45.946%0.45824%0.242SC..  trans-66.8130.2175-168.7179.6-176.800110.4I152 G153 D155 Y159I152-E157 CarbonylContact C-O 3.58Å; I152-E157 WeakPolarHBondContact CA-O 3.23Å; G153-E157 PolarHBondContact N-O 2.84Å; D155-E157 VanDerWaalsContact OD1-CB 3.32Å; D155-E157 WeakPolarHBondContact OD1-CB 3.32Å; D155-E157 PolarHBondContact OD1-N 2.85Å; E157-Y159 HydrophobicContact CB-CE2 4.29Å; E157-Y159 VanDerWaalsContact CD-CZ 3.46Å; E157-Y159 HydrophobicContact CG-CE1 4.03Å; E157-Y159 HydrophobicContact CG-CE2 4.31Å; E157-Y159 VanDerWaalsContact OE2-CZ 3.31Å; E157-Y159 PolarHBondContact OE2-OH 3.26Å
158Q94.3Very high93.7Very high105 Ų10539.9 Ų39.949%0.49121%0.21SC..EExtended strand (participates in β ladder)trans-102.7124.4-178.1-173.8-179.94.200111.6S148 S150 L151 I152 G156S148-Q158 PolarHBondContact OG-NE2 3.42Å; S150-Q158 VanDerWaalsContact CB-NE2 3.33Å; S150-Q158 PolarHBondContact OG-NE2 3.14Å; L151-Q158 CarbonylContact O-C 3.58Å; L151-Q158 WeakPolarHBondContact O-CA 3.4Å; I152-Q158 HydrophobicContact CG1-CG 4.31Å; G156-Q158 PolarHBondContact O-N 2.93Å
159Y93.3Very high94Very high39 Ų3937.8 Ų37.815%0.15320%0.196CC..EExtended strand (participates in β ladder)trans-109.4110.2174.6-50.4-80.3000110.5W142 S150 L151 E157 L161 H211W142-Y159 HydrophobicContact CH2-CD2 4.44Å; W142-Y159 AromaticContact CH2-CE2 3.88Å; W142-Y159 HydrophobicContact CH2-CE2 3.88Å; W142-Y159 AromaticContact CZ3-CD2 3.95Å; W142-Y159 HydrophobicContact CZ3-CD2 3.95Å; W142-Y159 AromaticContact CZ3-CE2 3.78Å; W142-Y159 HydrophobicContact CZ3-CE2 3.78Å; S150-Y159 CarbonylContact C-O 3.58Å; S150-Y159 WeakPolarHBondContact CA-O 3.49Å; S150-Y159 WeakPolarHBondContact CB-O 3.44Å; L151-Y159 HydrophobicContact CB-CD2 4.49Å; L151-Y159 PolarHBondContact N-O 3.25Å; L151-Y159 PolarHBondContact O-N 3.48Å; E157-Y159 HydrophobicContact CB-CE2 4.29Å; E157-Y159 VanDerWaalsContact CD-CZ 3.46Å; E157-Y159 HydrophobicContact CG-CE1 4.03Å; E157-Y159 HydrophobicContact CG-CE2 4.31Å; E157-Y159 VanDerWaalsContact OE2-CZ 3.31Å; E157-Y159 PolarHBondContact OE2-OH 3.26Å; Y159-L161 PolarHBondContact O-N 2.75Å; Y159-H211 AromaticContact CD1-ND1 3.61Å; Y159-H211 AromaticContact CG-CE1 3.97Å; Y159-H211 AromaticContact CG-ND1 3.45Å
160K91.9Very high94.1Very high135 Ų13535.1 Ų35.159%0.58719%0.187SC*.EExtended strand (participates in β ladder)trans-63.8125171.4-77.7-175.9-177.5176.30109.8P162K160-P162 WeakPolarHBondContact O-CD 3.43Å
161L92.9Very high94.2Very high0 Ų035.7 Ų35.70%019%0.189CC..PPolyproline II helixtrans-92.9128-180-67.8-171.9000111.8N74 L144 R149 L151 Y159 E165 F166 M169N74-L161 VanDerWaalsContact CG-O 3.27Å; N74-L161 PolarHBondContact ND2-O 2.87Å; N74-L161 VanDerWaalsContact ND2-O 3.08Å; L144-L161 HydrophobicContact CD1-CD1 3.94Å; R149-L161 WeakPolarHBondContact O-CB 3.24Å; R149-L161 PolarHBondContact O-N 2.64Å; L151-L161 HydrophobicContact CD1-CD1 4.17Å; L151-L161 HydrophobicContact CD1-CD2 3.99Å; L151-L161 HydrophobicContact CD1-CG 4.48Å; L151-L161 HydrophobicContact CG-CD1 3.88Å; L151-L161 HydrophobicContact CG-CD2 4.22Å; L151-L161 HydrophobicContact CG-CG 4.23Å; Y159-L161 PolarHBondContact O-N 2.75Å; L161-E165 HydrophobicContact CB-CB 4.28Å; L161-E165 HydrophobicContact CD1-CB 4.48Å; L161-E165 HydrophobicContact CD2-CB 4.29Å; L161-F166 HydrophobicContact CB-CB 3.94Å; L161-F166 HydrophobicContact CD1-CB 4.26Å; L161-M169 HydrophobicContact CD1-CB 4.36Å; L161-M169 HydrophobicContact CD1-CG 4.14Å
162P91.8Very high94.2Very high11 Ų1135.7 Ų35.77%0.07119%0.189CC..PPolyproline II helixtrans-50.3149.5159.1-32.740.4000111.7K160 S164 E165 F166K160-P162 WeakPolarHBondContact O-CD 3.43Å; P162-S164 VanDerWaalsContact C-N 3.32Å; P162-S164 PolarHBondContact O-N 2.83Å; P162-E165 WeakPolarHBondContact CB-OE1 3.3Å; P162-E165 WeakPolarHBondContact CD-OE1 3.48Å; P162-E165 WeakPolarHBondContact CG-OE1 3.33Å; P162-E165 WeakPolarHBondContact O-CB 3.12Å; P162-E165 PolarHBondContact O-N 2.99Å; P162-F166 PolarHBondContact O-N 2.87Å
163R89.4Confident94.1Very high10 Ų1034 Ų344%0.03818%0.181CC..Hα-helixtrans-57.7-42.1-167.9170.2-175.9-162.175.1-5.6113.1D98 L117 T121 R167D98-R163 VanDerWaalsContact OD1-CB 3.31Å; D98-R163 WeakPolarHBondContact OD1-CB 3.44Å; L117-R163 PolarHBondContact O-NE 3.26Å; L117-R163 PolarHBondContact O-NH2 3.21Å; T121-R163 VanDerWaalsContact OG1-CZ 3.23Å; T121-R163 PolarHBondContact OG1-NH1 3.29Å; T121-R163 PolarHBondContact OG1-NH2 3.45Å; R163-R167 WeakPolarHBondContact O-CB 3.36Å; R163-R167 VanDerWaalsContact O-CG 3.32Å; R163-R167 WeakPolarHBondContact O-CG 3.22Å; R163-R167 PolarHBondContact O-N 3.2Å; R163-R167 VanDerWaalsContact O-N 3.13Å
164S91.4Very high94Very high0 Ų036.2 Ų36.20%019%0.19CC..Hα-helixtrans-62.3-40.2175.660.10000112.7D98 P162 R167 A168 M189D98-S164 WeakPolarHBondContact OD1-CB 2.91Å; D98-S164 PolarHBondContact OD1-N 3.45Å; P162-S164 VanDerWaalsContact C-N 3.32Å; P162-S164 PolarHBondContact O-N 2.83Å; S164-R167 PolarHBondContact O-N 2.9Å; S164-A168 PolarHBondContact O-N 3.47Å; S164-M189 WeakPolarHBondContact O-CG 3.42Å
165E94.6Very high94Very high1 Ų134.2 Ų34.21%0.00518%0.175CC..Hα-helixtrans-68.1-48.4178-66.6174.4-112.800111.9L161 P162 R167 A168 M169 T204 R207 I208 H211L161-E165 HydrophobicContact CB-CB 4.28Å; L161-E165 HydrophobicContact CD1-CB 4.48Å; L161-E165 HydrophobicContact CD2-CB 4.29Å; P162-E165 WeakPolarHBondContact CB-OE1 3.3Å; P162-E165 WeakPolarHBondContact CD-OE1 3.48Å; P162-E165 WeakPolarHBondContact CG-OE1 3.33Å; P162-E165 WeakPolarHBondContact O-CB 3.12Å; P162-E165 PolarHBondContact O-N 2.99Å; E165-R167 PolarHBondContact O-N 2.96Å; E165-A168 PolarHBondContact O-N 3.39Å; E165-A168 VanDerWaalsContact O-N 3.13Å; E165-M169 PolarHBondContact O-N 3.33Å; E165-T204 HydrophobicContact CB-CG2 4.32Å; E165-T204 HydrophobicContact CG-CG2 3.65Å; E165-R207 IonicContact OE1-CZ 3.6Å; E165-R207 IonicContact OE1-NE 3.93Å; E165-R207 IonicContact OE1-NH1 3.82Å; E165-R207 PolarHBondContact OE1-NH1 2.78Å; E165-R207 IonicContact OE1-NH2 2.65Å; E165-R207 PolarHBondContact OE1-NH2 2.98Å; E165-I208 HydrophobicContact CB-CD1 4.21Å; E165-I208 HydrophobicContact CB-CG1 3.87Å; E165-I208 HydrophobicContact CG-CD1 4.39Å; E165-I208 HydrophobicContact CG-CG1 3.87Å; E165-H211 IonicContact OE2-NE2 3.85Å
166F94.2Very high94.1Very high11 Ų1131.8 Ų31.85%0.04817%0.166CC..Hα-helixtrans-53.8-43.4176.1173.6-105.3000111.3L144 I146 R149 L161 P162 M169 L170L144-F166 HydrophobicContact CD1-CD2 4.02Å; L144-F166 HydrophobicContact CD1-CE2 4.19Å; L144-F166 HydrophobicContact CG-CE2 4.47Å; I146-F166 HydrophobicContact CG2-CZ 4.24Å; R149-F166 HydrophobicContact CB-CB 4.46Å; R149-F166 HydrophobicContact CB-CD1 4.36Å; R149-F166 HydrophobicContact CB-CD2 3.65Å; R149-F166 HydrophobicContact CB-CE2 3.95Å; R149-F166 HydrophobicContact CB-CG 3.88Å; R149-F166 HydrophobicContact CB-CZ 4.41Å; R149-F166 HydrophobicContact CG-CD1 4.05Å; R149-F166 HydrophobicContact CG-CD2 4Å; R149-F166 HydrophobicContact CG-CE1 3.95Å; R149-F166 HydrophobicContact CG-CE2 3.91Å; R149-F166 HydrophobicContact CG-CG 4.07Å; R149-F166 HydrophobicContact CG-CZ 3.87Å; L161-F166 HydrophobicContact CB-CB 3.94Å; L161-F166 HydrophobicContact CD1-CB 4.26Å; P162-F166 PolarHBondContact O-N 2.87Å; F166-M169 PolarHBondContact O-N 2.61Å; F166-L170 HydrophobicContact CE1-CD2 4.15Å; F166-L170 HydrophobicContact CZ-CD2 4.2Å; F166-L170 VanDerWaalsContact O-CB 3.3Å; F166-L170 WeakPolarHBondContact O-CB 3.32Å; F166-L170 PolarHBondContact O-N 3.45Å
167R93Very high94.2Very high28 Ų2831.5 Ų31.511%0.10616%0.163CC..Hα-helixtrans-67.7-40.3178.7-78.4-179.7165.5152.816.8114.1R120 R163 S164 E165 M169 H171 K188 M189R120-R167 PolarHBondContact O-NH2 3.42Å; R120-R167 VanDerWaalsContact O-NH2 3.16Å; R163-R167 WeakPolarHBondContact O-CB 3.36Å; R163-R167 VanDerWaalsContact O-CG 3.32Å; R163-R167 WeakPolarHBondContact O-CG 3.22Å; R163-R167 PolarHBondContact O-N 3.2Å; R163-R167 VanDerWaalsContact O-N 3.13Å; S164-R167 PolarHBondContact O-N 2.9Å; E165-R167 PolarHBondContact O-N 2.96Å; R167-M169 VanDerWaalsContact C-N 3.35Å; R167-H171 VanDerWaalsContact O-CB 3.24Å; R167-H171 WeakPolarHBondContact O-CB 3.12Å; R167-H171 PolarHBondContact O-N 3.03Å; R167-K188 WeakPolarHBondContact CD-O 3.47Å; R167-M189 WeakPolarHBondContact CD-O 3.36Å; R167-M189 PolarHBondContact NH1-O 2.86Å
168A95.9Very high94.4Very high0 Ų032.6 Ų32.60%017%0.166CC..Hα-helixtrans-62.7-47.5175.100000109.8S164 E165 H171 F172 M189 T204 I208S164-A168 PolarHBondContact O-N 3.47Å; E165-A168 PolarHBondContact O-N 3.39Å; E165-A168 VanDerWaalsContact O-N 3.13Å; A168-H171 PolarHBondContact O-N 3.1Å; A168-F172 HydrophobicContact CB-CE2 4.4Å; A168-F172 WeakPolarHBondContact O-CB 3.47Å; A168-F172 WeakPolarHBondContact O-CD2 3.41Å; A168-F172 WeakPolarHBondContact O-CG 3.3Å; A168-F172 PolarHBondContact O-N 2.99Å; A168-M189 HydrophobicContact CB-CG 3.99Å; A168-M189 HydrophobicContact CB-SD 4.19Å; A168-T204 HydrophobicContact CB-CG2 4.47Å; A168-I208 HydrophobicContact CB-CD1 3.74Å
169M97.1Very high94.6Very high0 Ų030.2 Ų30.20%016%0.156CC..Hα-helixtrans-61.5-46.7178.2-78.1-53.6-55.200113.2F139 L144 L151 L161 E165 F166 R167 H171 F172 C173 I208 F212 I222 F232F139-M169 HydrophobicContact CE1-CE 4.17Å; F139-M169 HydrophobicContact CE2-CE 4.4Å; F139-M169 HydrophobicContact CZ-CE 3.62Å; L144-M169 HydrophobicContact CD1-CB 3.94Å; L144-M169 HydrophobicContact CD2-CB 3.93Å; L151-M169 HydrophobicContact CD2-CE 4.28Å; L161-M169 HydrophobicContact CD1-CB 4.36Å; L161-M169 HydrophobicContact CD1-CG 4.14Å; E165-M169 PolarHBondContact O-N 3.33Å; F166-M169 PolarHBondContact O-N 2.61Å; R167-M169 VanDerWaalsContact C-N 3.35Å; M169-H171 VanDerWaalsContact C-N 3.35Å; M169-H171 PolarHBondContact O-N 2.72Å; M169-F172 WeakPolarHBondContact O-CB 3.34Å; M169-F172 PolarHBondContact O-N 2.65Å; M169-F172 HydrophobicContact SD-CD2 4.48Å; M169-C173 PolarHBondContact O-N 2.95Å; M169-C173 PolarHBondContact O-SG 2.61Å; M169-I208 HydrophobicContact CG-CD1 4.11Å; M169-I208 HydrophobicContact CG-CG1 4.34Å; M169-I208 HydrophobicContact CG-CG2 3.99Å; M169-I208 HydrophobicContact SD-CD1 4.4Å; M169-I208 HydrophobicContact SD-CG2 3.38Å; M169-I208 WeakPolarHBondContact SD-CG2 3.47Å; M169-F212 HydrophobicContact CE-CE2 4.44Å; M169-F212 HydrophobicContact CE-CZ 3.77Å; M169-F212 HydrophobicContact SD-CE2 4.17Å; M169-F212 HydrophobicContact SD-CZ 3.93Å; M169-I222 HydrophobicContact SD-CD1 3.98Å; M169-F232 HydrophobicContact CE-CE2 4.01Å
170L95.1Very high94.8Very high15 Ų1528.9 Ų28.98%0.07915%0.151CC..Hα-helixtrans-59.5-47.7176.2179.761.5000110.9L124 Y137 L144 I146 F166 F172 C173 E174L124-L170 HydrophobicContact CD2-CD2 3.93Å; Y137-L170 HydrophobicContact CD2-CD1 4.2Å; Y137-L170 HydrophobicContact CE2-CD1 3.6Å; L144-L170 HydrophobicContact CD2-CB 4.22Å; I146-L170 HydrophobicContact CD1-CD1 4.06Å; I146-L170 HydrophobicContact CG1-CD1 4.36Å; F166-L170 HydrophobicContact CE1-CD2 4.15Å; F166-L170 HydrophobicContact CZ-CD2 4.2Å; F166-L170 VanDerWaalsContact O-CB 3.3Å; F166-L170 WeakPolarHBondContact O-CB 3.32Å; F166-L170 PolarHBondContact O-N 3.45Å; L170-F172 VanDerWaalsContact C-N 3.27Å; L170-F172 PolarHBondContact O-N 3.4Å; L170-C173 PolarHBondContact O-N 2.92Å; L170-E174 HydrophobicContact CD1-CG 4.3Å; L170-E174 WeakPolarHBondContact O-CB 3.48Å; L170-E174 WeakPolarHBondContact O-CG 3.5Å; L170-E174 PolarHBondContact O-N 2.87Å
171H95.5Very high95.1Very high13 Ų1324.1 Ų24.16%0.0614%0.135CC..Hα-helixtrans-62.1-35.5178.7179.675.1000112.5R167 A168 M169 N175 Q180 K188R167-H171 VanDerWaalsContact O-CB 3.24Å; R167-H171 WeakPolarHBondContact O-CB 3.12Å; R167-H171 PolarHBondContact O-N 3.03Å; A168-H171 PolarHBondContact O-N 3.1Å; M169-H171 VanDerWaalsContact C-N 3.35Å; M169-H171 PolarHBondContact O-N 2.72Å; H171-N175 PolarHBondContact CE1-ND2 3.36Å; H171-N175 WeakPolarHBondContact O-CB 3.19Å; H171-N175 PolarHBondContact O-N 3.34Å; H171-N175 PolarHBondContact O-ND2 3.24Å; H171-Q180 VanDerWaalsContact NE2-CD 3.27Å; H171-Q180 PolarHBondContact NE2-OE1 3.3Å; H171-K188 HydrophobicContact CB-CB 4.43Å; H171-K188 HydrophobicContact CB-CG 4.47Å; H171-K188 VanDerWaalsContact CE1-CE 3.5Å; H171-K188 WeakPolarHBondContact CE1-CE 3.2Å; H171-K188 WeakPolarHBondContact ND1-CD 3.47Å; H171-K188 VanDerWaalsContact ND1-CE 3.33Å; H171-K188 WeakPolarHBondContact ND1-CE 3.39Å
172F97.6Very high95.3Very high0 Ų028 Ų280%015%0.15CC..Hα-helixtrans-65.7-48173.4-81.4-46.5000112.5A168 M169 L170 E174 N175 Q180 L185 I205 I222 F232A168-F172 HydrophobicContact CB-CE2 4.4Å; A168-F172 WeakPolarHBondContact O-CB 3.47Å; A168-F172 WeakPolarHBondContact O-CD2 3.41Å; A168-F172 WeakPolarHBondContact O-CG 3.3Å; A168-F172 PolarHBondContact O-N 2.99Å; M169-F172 WeakPolarHBondContact O-CB 3.34Å; M169-F172 PolarHBondContact O-N 2.65Å; M169-F172 HydrophobicContact SD-CD2 4.48Å; L170-F172 VanDerWaalsContact C-N 3.27Å; L170-F172 PolarHBondContact O-N 3.4Å; F172-E174 VanDerWaalsContact C-N 3.27Å; F172-E174 PolarHBondContact O-N 3.14Å; F172-N175 CarbonylContact O-C 3.6Å; F172-N175 PolarHBondContact O-N 2.98Å; F172-Q180 HydrophobicContact CD1-CG 3.97Å; F172-Q180 HydrophobicContact CE1-CB 4.05Å; F172-Q180 HydrophobicContact CE1-CG 3.76Å; F172-L185 HydrophobicContact CE1-CD1 4.42Å; F172-L185 HydrophobicContact CE1-CD2 3.93Å; F172-L185 HydrophobicContact CE2-CD2 4.17Å; F172-L185 HydrophobicContact CZ-CD1 3.91Å; F172-L185 HydrophobicContact CZ-CD2 3.68Å; F172-L185 HydrophobicContact CZ-CG 4.46Å; F172-I205 HydrophobicContact CE2-CD1 3.48Å; F172-I205 VanDerWaalsContact CE2-CD1 3.48Å; F172-I205 HydrophobicContact CZ-CD1 3.72Å; F172-I222 HydrophobicContact CD2-CD1 3.98Å; F172-I222 HydrophobicContact CE2-CD1 3.8Å; F172-I222 HydrophobicContact CE2-CG1 4.48Å; F172-I222 HydrophobicContact CE2-CG2 4.35Å; F172-I222 HydrophobicContact CZ-CG2 4.17Å; F172-F232 HydrophobicContact CB-CB 3.72Å; F172-F232 HydrophobicContact CB-CD2 3.77Å; F172-F232 HydrophobicContact CB-CG 3.85Å; F172-F232 HydrophobicContact CD1-CB 3.75Å; F172-F232 HydrophobicContact CG-CB 3.94Å; F172-F232 HydrophobicContact CG-CD2 4.31Å; F172-F232 HydrophobicContact CG-CG 4.46Å
173C95.9Very high95.6Very high2 Ų229.2 Ų29.21%0.01416%0.16CC..Hα-helixtrans-64.5-32.9178.2-61.40000111.9Y137 M169 L170 N175 P176 L236Y137-C173 HydrophobicContact CD1-CB 3.84Å; Y137-C173 HydrophobicContact CD2-CB 3.72Å; Y137-C173 HydrophobicContact CE1-CB 4.33Å; Y137-C173 HydrophobicContact CE2-CB 4.22Å; Y137-C173 HydrophobicContact CG-CB 3.5Å; M169-C173 PolarHBondContact O-N 2.95Å; M169-C173 PolarHBondContact O-SG 2.61Å; L170-C173 PolarHBondContact O-N 2.92Å; C173-N175 VanDerWaalsContact C-N 3.26Å; C173-N175 PolarHBondContact O-N 3.38Å; C173-P176 WeakPolarHBondContact O-CD 3.49Å; C173-L236 HydrophobicContact CB-CD2 4.4Å; C173-L236 WeakPolarHBondContact O-CD1 3.2Å
174E93.8Very high95.9Very high51 Ų5133.2 Ų33.224%0.23818%0.18CC..THydrogen-bonded Turntrans-75.2-12.5173.5-71.6-173.1130.400113.7L170 F172L170-E174 HydrophobicContact CD1-CG 4.3Å; L170-E174 WeakPolarHBondContact O-CB 3.48Å; L170-E174 WeakPolarHBondContact O-CG 3.5Å; L170-E174 PolarHBondContact O-N 2.87Å; F172-E174 VanDerWaalsContact C-N 3.27Å; F172-E174 PolarHBondContact O-N 3.14Å
175N95.7Very high96.2Very high32 Ų3233.2 Ų33.217%0.17118%0.18CC..SBendtrans-137.854.9-176.2-64.6-84000112H171 F172 C173 K178H171-N175 PolarHBondContact CE1-ND2 3.36Å; H171-N175 WeakPolarHBondContact O-CB 3.19Å; H171-N175 PolarHBondContact O-N 3.34Å; H171-N175 PolarHBondContact O-ND2 3.24Å; F172-N175 CarbonylContact O-C 3.6Å; F172-N175 PolarHBondContact O-N 2.98Å; C173-N175 VanDerWaalsContact C-N 3.26Å; C173-N175 PolarHBondContact O-N 3.38Å; N175-K178 HydrophobicContact CB-CB 4.48Å; N175-K178 HydrophobicContact CB-CD 4.17Å; N175-K178 PolarHBondContact O-N 3.01Å
176P95.1Very high96.2Very high64 Ų6433.2 Ų33.242%0.41618%0.18SC..THydrogen-bonded Turntrans-61.3143.4-173.828.9-37.6000111.5C173 K178 F232 L236C173-P176 WeakPolarHBondContact O-CD 3.49Å; P176-K178 PolarHBondContact O-N 2.9Å; P176-F232 HydrophobicContact CB-CD1 4.27Å; P176-L236 HydrophobicContact CB-CD1 3.7Å; P176-L236 HydrophobicContact CB-CG 4.4Å; P176-L236 HydrophobicContact CG-CD1 3.73Å
177G96.4Very high96.2Very high47 Ų4737.4 Ų37.449%0.48520%0.198SC..THydrogen-bonded Turntrans68.7-10.417800000115.9R231 F232G177-R231 VanDerWaalsContact O-CD 3.3Å; G177-R231 WeakPolarHBondContact O-CD 3.24Å; G177-R231 WeakPolarHBondContact O-CG 3.17Å; G177-R231 PolarHBondContact O-NE 3.24Å; G177-F232 WeakPolarHBondContact CA-O 3.42Å; G177-F232 PolarHBondContact N-O 2.85Å
178K97.8Very high96.1Very high120 Ų12040.9 Ų40.952%0.52221%0.214SC..  trans-81.6138.5179.1-63.5-177.7-169.7167.20110.8N175 P176 Q180N175-K178 HydrophobicContact CB-CB 4.48Å; N175-K178 HydrophobicContact CB-CD 4.17Å; N175-K178 PolarHBondContact O-N 3.01Å; P176-K178 PolarHBondContact O-N 2.9Å; K178-Q180 PolarHBondContact O-N 2.92Å
179I98.3Very high95.9Very high56 Ų5640.9 Ų40.929%0.28721%0.214SC..EExtended strand (participates in β ladder)trans-68.6128168.9-56.4171000108.1I225 E228 R231I179-I225 HydrophobicContact CD1-CG2 4.13Å; I179-I225 HydrophobicContact CG1-CG1 4.28Å; I179-E228 WeakPolarHBondContact CD1-OE2 3.31Å; I179-E228 HydrophobicContact CG2-CB 3.93Å; I179-R231 VanDerWaalsContact CD1-NH2 3.35Å; I179-R231 VanDerWaalsContact CG1-NH2 3.29Å
180Q98.3Very high95.5Very high10 Ų1041 Ų415%0.04721%0.214CC..EExtended strand (participates in β ladder)trans-110.4119.5174.3-54.7-56.7-37.300108.8H171 F172 K178 L185 G229 Y230H171-Q180 VanDerWaalsContact NE2-CD 3.27Å; H171-Q180 PolarHBondContact NE2-OE1 3.3Å; F172-Q180 HydrophobicContact CD1-CG 3.97Å; F172-Q180 HydrophobicContact CE1-CB 4.05Å; F172-Q180 HydrophobicContact CE1-CG 3.76Å; K178-Q180 PolarHBondContact O-N 2.92Å; Q180-L185 HydrophobicContact CB-CD1 4.01Å; Q180-L185 HydrophobicContact CB-CD2 3.82Å; Q180-L185 HydrophobicContact CB-CG 3.73Å; Q180-L185 HydrophobicContact CG-CD2 4.34Å; Q180-G229 WeakPolarHBondContact O-CA 3.44Å; Q180-Y230 PolarHBondContact N-O 3Å; Q180-Y230 PolarHBondContact O-N 3.44Å
181S98.1Very high95.2Very high36 Ų3640.9 Ų40.925%0.25222%0.217SC..  trans-69.2157.3178.168.30000111.8A183 E184 L185 E228S181-A183 PolarHBondContact O-N 2.81Å; S181-E184 WeakPolarHBondContact CB-OE2 3.34Å; S181-E184 PolarHBondContact N-OE2 3.35Å; S181-E184 PolarHBondContact O-N 2.82Å; S181-E184 WeakPolarHBondContact OG-CB 3.39Å; S181-E184 VanDerWaalsContact OG-CD 3.25Å; S181-E184 WeakPolarHBondContact OG-CG 3.34Å; S181-E184 PolarHBondContact OG-N 2.87Å; S181-E184 VanDerWaalsContact OG-N 3.15Å; S181-E184 PolarHBondContact OG-OE2 3.09Å; S181-L185 PolarHBondContact O-N 2.97Å; S181-E228 WeakPolarHBondContact CA-O 3.43Å
182R97.2Very high95Very high81 Ų8141.3 Ų41.331%0.30622%0.218SC..Hα-helixtrans-56.6-37173.8-66.4172.879.1-132.7-2.9111.4L186 L194 D198 V201 D202 Y230R182-L186 VanDerWaalsContact O-CB 3.28Å; R182-L186 WeakPolarHBondContact O-CB 3.43Å; R182-L186 PolarHBondContact O-N 2.83Å; R182-L194 HydrophobicContact CB-CD2 3.94Å; R182-D198 PolarHBondContact NH2-O 3.35Å; R182-V201 HydrophobicContact CG-CG1 4.48Å; R182-V201 WeakPolarHBondContact O-CG2 3.43Å; R182-D202 IonicContact CZ-OD1 2.73Å; R182-D202 IonicContact CZ-OD2 3.68Å; R182-D202 IonicContact NE-OD1 3.86Å; R182-D202 PolarHBondContact NE-OD1 3.37Å; R182-D202 IonicContact NE-OD2 3.29Å; R182-D202 PolarHBondContact NE-OD2 2.7Å; R182-D202 IonicContact NH2-OD1 2.78Å; R182-D202 IonicContact NH2-OD2 2.79Å; R182-D202 PolarHBondContact NH2-OD2 2.86Å; R182-Y230 HydrophobicContact CG-CE2 4.12Å
183A97.2Very high94.8Very high36 Ų3646.7 Ų46.730%0.29824%0.243SC..Hα-helixtrans-66.9-44.4177.900000112.2S181 K187 L194S181-A183 PolarHBondContact O-N 2.81Å; A183-K187 VanDerWaalsContact O-CB 3.3Å; A183-K187 WeakPolarHBondContact O-CB 3.4Å; A183-K187 PolarHBondContact O-N 2.79Å; A183-L194 HydrophobicContact CB-CB 4.2Å; A183-L194 HydrophobicContact CB-CD2 4.46Å
184E96.4Very high94.7Very high95 Ų9549.4 Ų49.444%0.44426%0.257SS..Hα-helixtrans-65.2-47178-73.1162.614400111.9S181 L186 K187 K188S181-E184 WeakPolarHBondContact CB-OE2 3.34Å; S181-E184 PolarHBondContact N-OE2 3.35Å; S181-E184 PolarHBondContact O-N 2.82Å; S181-E184 WeakPolarHBondContact OG-CB 3.39Å; S181-E184 VanDerWaalsContact OG-CD 3.25Å; S181-E184 WeakPolarHBondContact OG-CG 3.34Å; S181-E184 PolarHBondContact OG-N 2.87Å; S181-E184 VanDerWaalsContact OG-N 3.15Å; S181-E184 PolarHBondContact OG-OE2 3.09Å; E184-L186 VanDerWaalsContact C-N 3.35Å; E184-L186 PolarHBondContact O-N 2.89Å; E184-K187 PolarHBondContact O-N 2.88Å; E184-K188 WeakPolarHBondContact O-CB 3.37Å; E184-K188 VanDerWaalsContact O-CG 3.24Å; E184-K188 WeakPolarHBondContact O-CG 3.33Å; E184-K188 PolarHBondContact O-N 2.82Å
185L96.5Very high94.6Very high0 Ų051.6 Ų51.60%027%0.266CS..Hα-helixtrans-59.6-46.8177.9-73169.8000111.1F172 Q180 S181 K187 K188 M189 V201 I205 Y230F172-L185 HydrophobicContact CE1-CD1 4.42Å; F172-L185 HydrophobicContact CE1-CD2 3.93Å; F172-L185 HydrophobicContact CE2-CD2 4.17Å; F172-L185 HydrophobicContact CZ-CD1 3.91Å; F172-L185 HydrophobicContact CZ-CD2 3.68Å; F172-L185 HydrophobicContact CZ-CG 4.46Å; Q180-L185 HydrophobicContact CB-CD1 4.01Å; Q180-L185 HydrophobicContact CB-CD2 3.82Å; Q180-L185 HydrophobicContact CB-CG 3.73Å; Q180-L185 HydrophobicContact CG-CD2 4.34Å; S181-L185 PolarHBondContact O-N 2.97Å; L185-K187 VanDerWaalsContact C-N 3.33Å; L185-K187 PolarHBondContact O-N 3.25Å; L185-K188 WeakPolarHBondContact O-CB 3.07Å; L185-K188 PolarHBondContact O-N 3.08Å; L185-K188 VanDerWaalsContact O-N 3.1Å; L185-M189 HydrophobicContact CB-SD 4.29Å; L185-M189 WeakPolarHBondContact O-CB 3.4Å; L185-M189 WeakPolarHBondContact O-CG 3.41Å; L185-M189 PolarHBondContact O-N 3.36Å; L185-V201 HydrophobicContact CB-CG1 3.92Å; L185-V201 HydrophobicContact CB-CG2 4.18Å; L185-V201 HydrophobicContact CD1-CG1 3.81Å; L185-I205 HydrophobicContact CD1-CD1 4.47Å; L185-Y230 HydrophobicContact CD1-CD2 3.6Å; L185-Y230 HydrophobicContact CD1-CG 4.26Å
186L95.6Very high94.3Very high0 Ų055.4 Ų55.40%029%0.293CS..Hα-helixtrans-59.2-47176.7-175.967.7000111.3R182 E184 K188 M189 T190 G191 L194 T200 V201R182-L186 VanDerWaalsContact O-CB 3.28Å; R182-L186 WeakPolarHBondContact O-CB 3.43Å; R182-L186 PolarHBondContact O-N 2.83Å; E184-L186 VanDerWaalsContact C-N 3.35Å; E184-L186 PolarHBondContact O-N 2.89Å; L186-K188 PolarHBondContact O-N 2.93Å; L186-M189 PolarHBondContact O-N 2.78Å; L186-T190 HydrophobicContact CD1-CG2 3.96Å; L186-T190 WeakPolarHBondContact CD1-OG1 3.21Å; L186-T190 PolarHBondContact O-N 2.73Å; L186-T190 PolarHBondContact O-OG1 2.64Å; L186-G191 PolarHBondContact O-N 3.23Å; L186-L194 VanDerWaalsContact CD2-CA 3.41Å; L186-L194 HydrophobicContact CD2-CB 3.94Å; L186-L194 HydrophobicContact CD2-CD1 3.74Å; L186-L194 HydrophobicContact CD2-CG 4.47Å; L186-T200 HydrophobicContact CD1-CG2 3.85Å; L186-V201 HydrophobicContact CB-CG2 3.69Å; L186-V201 HydrophobicContact CD1-CG2 4.28Å
187K93.3Very high93.9Very high100 Ų10059.7 Ų59.744%0.43531%0.307SS..Hα-helixtrans-61-31.8177.9-172.1169.4-170.5149.80112.1R120 A183 E184 L185 G191 E193R120-K187 PolarHBondContact NH1-O 2.75Å; R120-K187 PolarHBondContact NH2-O 2.74Å; A183-K187 VanDerWaalsContact O-CB 3.3Å; A183-K187 WeakPolarHBondContact O-CB 3.4Å; A183-K187 PolarHBondContact O-N 2.79Å; E184-K187 PolarHBondContact O-N 2.88Å; L185-K187 VanDerWaalsContact C-N 3.33Å; L185-K187 PolarHBondContact O-N 3.25Å; K187-G191 WeakPolarHBondContact O-CA 3.47Å; K187-G191 PolarHBondContact O-N 2.97Å; K187-G191 VanDerWaalsContact O-N 3.14Å; K187-E193 IonicContact NZ-OE1 3.72Å; K187-E193 PolarHBondContact NZ-OE1 2.95Å
188K91.4Very high93.6Very high100 Ų10057.7 Ų57.744%0.43529%0.285SS..Hα-helixtrans-74.8-46.8175.2-70.6-76.1179.3160.50112.2R120 R167 H171 E184 L185 L186R120-K188 PolarHBondContact NH1-O 3.29Å; R167-K188 WeakPolarHBondContact CD-O 3.47Å; H171-K188 HydrophobicContact CB-CB 4.43Å; H171-K188 HydrophobicContact CB-CG 4.47Å; H171-K188 VanDerWaalsContact CE1-CE 3.5Å; H171-K188 WeakPolarHBondContact CE1-CE 3.2Å; H171-K188 WeakPolarHBondContact ND1-CD 3.47Å; H171-K188 VanDerWaalsContact ND1-CE 3.33Å; H171-K188 WeakPolarHBondContact ND1-CE 3.39Å; E184-K188 WeakPolarHBondContact O-CB 3.37Å; E184-K188 VanDerWaalsContact O-CG 3.24Å; E184-K188 WeakPolarHBondContact O-CG 3.33Å; E184-K188 PolarHBondContact O-N 2.82Å; L185-K188 WeakPolarHBondContact O-CB 3.07Å; L185-K188 PolarHBondContact O-N 3.08Å; L185-K188 VanDerWaalsContact O-N 3.1Å; L186-K188 PolarHBondContact O-N 2.93Å
189M91.8Very high93.4Very high0 Ų056.5 Ų56.50%028%0.277CS..Hα-helixtrans-65.1-52.8-179.4-65.9160.250.700112.4S164 R167 A168 L185 L186 T200 V201 T204S164-M189 WeakPolarHBondContact O-CG 3.42Å; R167-M189 WeakPolarHBondContact CD-O 3.36Å; R167-M189 PolarHBondContact NH1-O 2.86Å; A168-M189 HydrophobicContact CB-CG 3.99Å; A168-M189 HydrophobicContact CB-SD 4.19Å; L185-M189 HydrophobicContact CB-SD 4.29Å; L185-M189 WeakPolarHBondContact O-CB 3.4Å; L185-M189 WeakPolarHBondContact O-CG 3.41Å; L185-M189 PolarHBondContact O-N 3.36Å; L186-M189 PolarHBondContact O-N 2.78Å; M189-T200 HydrophobicContact CE-CG2 3.91Å; M189-V201 HydrophobicContact SD-CG2 4.21Å; M189-T204 HydrophobicContact CE-CG2 3.66Å; M189-T204 WeakPolarHBondContact CE-OG1 3.42Å; M189-T204 HydrophobicContact SD-CG2 4.34Å
190T89.5Confident93.2Very high2 Ų253.9 Ų53.91%0.01226%0.264CS..THydrogen-bonded Turntrans-117.9-24.6-165.567.70000113.1D98 N116 L186 R192 T200D98-T190 WeakPolarHBondContact O-CG2 3.19Å; N116-T190 VanDerWaalsContact CB-O 3.31Å; N116-T190 WeakPolarHBondContact CB-O 3.37Å; L186-T190 HydrophobicContact CD1-CG2 3.96Å; L186-T190 WeakPolarHBondContact CD1-OG1 3.21Å; L186-T190 PolarHBondContact O-N 2.73Å; L186-T190 PolarHBondContact O-OG1 2.64Å; T190-R192 WeakPolarHBondContact OG1-CG 3.38Å; T190-T200 HydrophobicContact CG2-CG2 4.11Å
191G88.2Confident93.1Very high13 Ų1353.5 Ų53.513%0.13426%0.262CS..SBendtrans877178.100000116.7N116 R120 L186 K187N116-G191 PolarHBondContact ND2-O 3.05Å; N116-G191 VanDerWaalsContact ND2-O 3.08Å; R120-G191 VanDerWaalsContact NH1-CA 3.26Å; L186-G191 PolarHBondContact O-N 3.23Å; K187-G191 WeakPolarHBondContact O-CA 3.47Å; K187-G191 PolarHBondContact O-N 2.97Å; K187-G191 VanDerWaalsContact O-N 3.14Å
192R91.1Very high93Very high23 Ų2353.5 Ų53.59%0.08726%0.259CS..SBendtrans-111.3163.4174.860.5175.4-172.577.5-1.1111.7D99 T190 D198 T200D99-R192 IonicContact OD1-CZ 3.91Å; D99-R192 IonicContact OD1-NE 2.68Å; D99-R192 PolarHBondContact OD1-NE 3.4Å; D99-R192 IonicContact OD1-NH2 3.78Å; D99-R192 PolarHBondContact OD1-NH2 2.74Å; D99-R192 IonicContact OD2-NE 3.15Å; D99-R192 PolarHBondContact OD2-NE 2.94Å; T190-R192 WeakPolarHBondContact OG1-CG 3.38Å; R192-D198 IonicContact CZ-OD2 3.42Å; R192-D198 IonicContact NH1-OD2 2.67Å; R192-D198 PolarHBondContact NH1-OD2 3.45Å; R192-D198 IonicContact NH2-OD1 2.96Å; R192-D198 IonicContact NH2-OD2 3.61Å; R192-D198 PolarHBondContact NH2-OD2 2.83Å; R192-T200 PolarHBondContact NH2-OG1 2.88Å
193E92.8Very high92.9Very high113 Ų11350.2 Ų50.253%0.52825%0.248SC..PPolyproline II helixtrans-75.5154176.1-61.8-60.1150.400111.4K187 K195K187-E193 IonicContact NZ-OE1 3.72Å; K187-E193 PolarHBondContact NZ-OE1 2.95Å; E193-K195 PolarHBondContact O-N 2.68Å
194L93.5Very high92.9Very high59 Ų5948.6 Ų48.631%0.30924%0.235SC..PPolyproline II helixtrans-72.9121.5179.7-173.671.2000110.2R182 A183 L186 D198R182-L194 HydrophobicContact CB-CD2 3.94Å; A183-L194 HydrophobicContact CB-CB 4.2Å; A183-L194 HydrophobicContact CB-CD2 4.46Å; L186-L194 VanDerWaalsContact CD2-CA 3.41Å; L186-L194 HydrophobicContact CD2-CB 3.94Å; L186-L194 HydrophobicContact CD2-CD1 3.74Å; L186-L194 HydrophobicContact CD2-CG 4.47Å; L194-D198 HydrophobicContact CD1-CB 3.75Å
195K91.8Very high93Very high97 Ų9744.1 Ų44.142%0.42221%0.214SC..PPolyproline II helixtrans-91.8158.4171-64.2-167.4-175.5-172.20110.6E109 E193 D198E109-K195 IonicContact OE1-NZ 3.49Å; E109-K195 PolarHBondContact OE1-NZ 2.96Å; E109-K195 IonicContact OE2-NZ 2.87Å; E193-K195 PolarHBondContact O-N 2.68Å; K195-D198 VanDerWaalsContact O-CB 3.22Å; K195-D198 WeakPolarHBondContact O-CB 3.21Å; K195-D198 PolarHBondContact O-N 3.39Å
196P89.3Confident93Very high112 Ų11251.9 Ų51.973%0.72724%0.243SC*.THydrogen-bonded Turntrans-52.9142.6168.2-25.235000111.4D198P196-D198 PolarHBondContact O-N 2.78Å; P196-D198 VanDerWaalsContact O-N 3.1Å
197H87.2Confident93Very high154 Ų15453.8 Ų53.871%0.71325%0.25SS*.THydrogen-bonded Turntrans58.418.9-179.3-46.4-73000115.2K89 R199K89-H197 PolarHBondContact NZ-O 3.45Å; H197-R199 PolarHBondContact O-N 2.81Å
198D90.5Very high93.1Very high5 Ų549 Ų493%0.02723%0.229CC..  trans-72.4126.6170.6-160.4-31.8000110.6R182 R192 L194 K195 P196 T200R182-D198 PolarHBondContact NH2-O 3.35Å; R192-D198 IonicContact CZ-OD2 3.42Å; R192-D198 IonicContact NH1-OD2 2.67Å; R192-D198 PolarHBondContact NH1-OD2 3.45Å; R192-D198 IonicContact NH2-OD1 2.96Å; R192-D198 IonicContact NH2-OD2 3.61Å; R192-D198 PolarHBondContact NH2-OD2 2.83Å; L194-D198 HydrophobicContact CD1-CB 3.75Å; K195-D198 VanDerWaalsContact O-CB 3.22Å; K195-D198 WeakPolarHBondContact O-CB 3.21Å; K195-D198 PolarHBondContact O-N 3.39Å; P196-D198 PolarHBondContact O-N 2.78Å; P196-D198 VanDerWaalsContact O-N 3.1Å; D198-T200 VanDerWaalsContact OD1-CB 3.26Å; D198-T200 WeakPolarHBondContact OD1-CB 3.36Å; D198-T200 PolarHBondContact OD1-N 2.68Å; D198-T200 PolarHBondContact OD1-OG1 2.92Å
199R93.2Very high93.4Very high95 Ų9546.2 Ų46.236%0.35822%0.216SC..  trans-108.5-0.6-177.9-61.5-59.2-166.61734.7113.2E86 I90 L93 H197 V201 D202 V203E86-R199 IonicContact OE1-CZ 2.69Å; E86-R199 IonicContact OE1-NE 3.49Å; E86-R199 PolarHBondContact OE1-NE 3.34Å; E86-R199 IonicContact OE1-NH2 3.22Å; E86-R199 PolarHBondContact OE1-NH2 3.32Å; I90-R199 HydrophobicContact CD1-CG 4.48Å; I90-R199 HydrophobicContact CG1-CB 4.35Å; I90-R199 HydrophobicContact CG1-CG 4.26Å; L93-R199 HydrophobicContact CD1-CB 4.4Å; H197-R199 PolarHBondContact O-N 2.81Å; R199-V201 VanDerWaalsContact C-N 3.32Å; R199-V201 PolarHBondContact O-N 2.87Å; R199-D202 PolarHBondContact O-N 2.87Å; R199-V203 HydrophobicContact CB-CG2 4.15Å; R199-V203 WeakPolarHBondContact O-CB 3.28Å; R199-V203 WeakPolarHBondContact O-CG2 3.31Å; R199-V203 PolarHBondContact O-N 3.06Å
200T93.9Very high93.6Very high1 Ų153.5 Ų53.51%0.00625%0.248CC..Hα-helixtrans-54.4-47.6-172.7-51.90000111.9L93 L186 M189 T190 R192 D198 T204L93-T200 HydrophobicContact CD2-CG2 4.09Å; L186-T200 HydrophobicContact CD1-CG2 3.85Å; M189-T200 HydrophobicContact CE-CG2 3.91Å; T190-T200 HydrophobicContact CG2-CG2 4.11Å; R192-T200 PolarHBondContact NH2-OG1 2.88Å; D198-T200 VanDerWaalsContact OD1-CB 3.26Å; D198-T200 WeakPolarHBondContact OD1-CB 3.36Å; D198-T200 PolarHBondContact OD1-N 2.68Å; D198-T200 PolarHBondContact OD1-OG1 2.92Å; T200-T204 VanDerWaalsContact O-CB 3.31Å; T200-T204 WeakPolarHBondContact O-CB 3.48Å; T200-T204 PolarHBondContact O-N 3.25Å; T200-T204 PolarHBondContact O-OG1 3.49Å
201V96.3Very high93.8Very high2 Ų255.1 Ų55.11%0.01226%0.255CS..Hα-helixtrans-64.9-52.3-180179.40000110.9R182 L185 L186 M189 R199 V203 T204 I205 Y230R182-V201 HydrophobicContact CG-CG1 4.48Å; R182-V201 WeakPolarHBondContact O-CG2 3.43Å; L185-V201 HydrophobicContact CB-CG1 3.92Å; L185-V201 HydrophobicContact CB-CG2 4.18Å; L185-V201 HydrophobicContact CD1-CG1 3.81Å; L186-V201 HydrophobicContact CB-CG2 3.69Å; L186-V201 HydrophobicContact CD1-CG2 4.28Å; M189-V201 HydrophobicContact SD-CG2 4.21Å; R199-V201 VanDerWaalsContact C-N 3.32Å; R199-V201 PolarHBondContact O-N 2.87Å; V201-V203 VanDerWaalsContact C-N 3.31Å; V201-V203 PolarHBondContact O-N 3.42Å; V201-T204 PolarHBondContact O-N 3.44Å; V201-T204 VanDerWaalsContact O-N 3.09Å; V201-I205 HydrophobicContact CG1-CG1 4.11Å; V201-I205 WeakPolarHBondContact O-CG1 3.45Å; V201-I205 PolarHBondContact O-N 3Å; V201-Y230 HydrophobicContact CG1-CD2 4.04Å; V201-Y230 HydrophobicContact CG1-CE2 3.65Å
202D96.1Very high94.2Very high36 Ų3654.7 Ų54.719%0.19325%0.25CC..Hα-helixtrans-63-40.6-173.8-48.5-32000111.6R182 R199 R206 Y230R182-D202 IonicContact CZ-OD1 2.73Å; R182-D202 IonicContact CZ-OD2 3.68Å; R182-D202 IonicContact NE-OD1 3.86Å; R182-D202 PolarHBondContact NE-OD1 3.37Å; R182-D202 IonicContact NE-OD2 3.29Å; R182-D202 PolarHBondContact NE-OD2 2.7Å; R182-D202 IonicContact NH2-OD1 2.78Å; R182-D202 IonicContact NH2-OD2 2.79Å; R182-D202 PolarHBondContact NH2-OD2 2.86Å; R199-D202 PolarHBondContact O-N 2.87Å; D202-R206 WeakPolarHBondContact O-CB 3.36Å; D202-R206 PolarHBondContact O-N 2.99Å; D202-Y230 WeakPolarHBondContact CA-OH 3.34Å; D202-Y230 PolarHBondContact OD1-OH 3.02Å
203V96.1Very high94.4Very high12 Ų1260.4 Ų60.47%0.07328%0.277CS..Hα-helixtrans-65.3-41.6175.3175.40000110.9I90 L93 E94 R199 V201 R206 R207I90-V203 HydrophobicContact CG2-CG2 4.26Å; L93-V203 HydrophobicContact CB-CB 4.05Å; L93-V203 HydrophobicContact CB-CG1 3.62Å; L93-V203 HydrophobicContact CB-CG2 4.35Å; L93-V203 HydrophobicContact CD1-CG2 4.49Å; E94-V203 HydrophobicContact CB-CG1 4.42Å; E94-V203 HydrophobicContact CG-CG1 3.75Å; R199-V203 HydrophobicContact CB-CG2 4.15Å; R199-V203 WeakPolarHBondContact O-CB 3.28Å; R199-V203 WeakPolarHBondContact O-CG2 3.31Å; R199-V203 PolarHBondContact O-N 3.06Å; V201-V203 VanDerWaalsContact C-N 3.31Å; V201-V203 PolarHBondContact O-N 3.42Å; V203-R206 PolarHBondContact O-N 3.43Å; V203-R207 WeakPolarHBondContact O-CD 3.48Å; V203-R207 VanDerWaalsContact O-CG 3.23Å; V203-R207 WeakPolarHBondContact O-CG 3.18Å; V203-R207 PolarHBondContact O-N 3.28Å; V203-R207 VanDerWaalsContact O-N 3.09Å
204T96.3Very high94.3Very high2 Ų258.7 Ų58.71%0.01228%0.277CS..Hα-helixtrans-64.4-47.1177.3-570000111.4E165 A168 M189 T200 V201 R206 R207 I208E165-T204 HydrophobicContact CB-CG2 4.32Å; E165-T204 HydrophobicContact CG-CG2 3.65Å; A168-T204 HydrophobicContact CB-CG2 4.47Å; M189-T204 HydrophobicContact CE-CG2 3.66Å; M189-T204 WeakPolarHBondContact CE-OG1 3.42Å; M189-T204 HydrophobicContact SD-CG2 4.34Å; T200-T204 VanDerWaalsContact O-CB 3.31Å; T200-T204 WeakPolarHBondContact O-CB 3.48Å; T200-T204 PolarHBondContact O-N 3.25Å; T200-T204 PolarHBondContact O-OG1 3.49Å; V201-T204 PolarHBondContact O-N 3.44Å; V201-T204 VanDerWaalsContact O-N 3.09Å; T204-R206 VanDerWaalsContact C-N 3.3Å; T204-R206 PolarHBondContact O-N 3.13Å; T204-R207 PolarHBondContact O-N 2.88Å; T204-R207 VanDerWaalsContact O-N 3.14Å; T204-I208 HydrophobicContact CG2-CD1 3.95Å; T204-I208 HydrophobicContact CG2-CG1 4.49Å; T204-I208 WeakPolarHBondContact O-CG1 3.4Å; T204-I208 PolarHBondContact O-N 3.09Å
205I97.8Very high94.2Very high1 Ų156.9 Ų56.91%0.00527%0.269CS..Hα-helixtrans-61.3-40.9178.3-63-57.2000111.2F172 L185 V201 R207 I208 R209 I222 Y230F172-I205 HydrophobicContact CE2-CD1 3.48Å; F172-I205 VanDerWaalsContact CE2-CD1 3.48Å; F172-I205 HydrophobicContact CZ-CD1 3.72Å; L185-I205 HydrophobicContact CD1-CD1 4.47Å; V201-I205 HydrophobicContact CG1-CG1 4.11Å; V201-I205 WeakPolarHBondContact O-CG1 3.45Å; V201-I205 PolarHBondContact O-N 3Å; I205-R207 VanDerWaalsContact C-N 3.31Å; I205-R207 PolarHBondContact O-N 3.29Å; I205-I208 HydrophobicContact CD1-CD1 4.39Å; I205-I208 PolarHBondContact O-N 2.51Å; I205-R209 HydrophobicContact CG2-CG 4.37Å; I205-R209 WeakPolarHBondContact O-CB 3.34Å; I205-R209 WeakPolarHBondContact O-CG 2.91Å; I205-R209 PolarHBondContact O-N 3.07Å; I205-I222 HydrophobicContact CG2-CG2 4.01Å; I205-Y230 HydrophobicContact CB-CD1 4.33Å; I205-Y230 HydrophobicContact CB-CE1 4.07Å; I205-Y230 HydrophobicContact CD1-CG 4.44Å; I205-Y230 HydrophobicContact CG1-CD1 4.09Å; I205-Y230 HydrophobicContact CG1-CD2 3.96Å; I205-Y230 HydrophobicContact CG1-CE1 4.09Å; I205-Y230 HydrophobicContact CG1-CE2 3.98Å; I205-Y230 HydrophobicContact CG1-CG 4.01Å; I205-Y230 HydrophobicContact CG2-CD1 3.7Å; I205-Y230 HydrophobicContact CG2-CE1 3.69Å; I205-Y230 HydrophobicContact CG2-CG 4.39Å
206R96.8Very high94.1Very high163 Ų16357.4 Ų57.462%0.61528%0.282SS*.Hα-helixtrans-60.2-40.8175.5-176.5-178.2178.3-157.1-3.3112.3E94 D202 V203 T204 K210E94-R206 IonicContact OE1-CZ 3.46Å; E94-R206 IonicContact OE1-NH1 3.7Å; E94-R206 PolarHBondContact OE1-NH1 3.26Å; D202-R206 WeakPolarHBondContact O-CB 3.36Å; D202-R206 PolarHBondContact O-N 2.99Å; V203-R206 PolarHBondContact O-N 3.43Å; T204-R206 VanDerWaalsContact C-N 3.3Å; T204-R206 PolarHBondContact O-N 3.13Å; R206-K210 PolarHBondContact O-N 3.49Å; R206-K210 VanDerWaalsContact O-N 3.16Å
207R95.4Very high94.1Very high40 Ų4060 Ų6015%0.15129%0.29CS..Hα-helixtrans-68.2-45.2178.9-67.8162.680.9-112.8-23.8111.3L93 E94 E165 V203 T204 I205 R209 K210 H211L93-R207 WeakPolarHBondContact O-CD 3.37Å; L93-R207 PolarHBondContact O-NE 3.4Å; E94-R207 PolarHBondContact O-NE 2.67Å; E165-R207 IonicContact OE1-CZ 3.6Å; E165-R207 IonicContact OE1-NE 3.93Å; E165-R207 IonicContact OE1-NH1 3.82Å; E165-R207 PolarHBondContact OE1-NH1 2.78Å; E165-R207 IonicContact OE1-NH2 2.65Å; E165-R207 PolarHBondContact OE1-NH2 2.98Å; V203-R207 WeakPolarHBondContact O-CD 3.48Å; V203-R207 VanDerWaalsContact O-CG 3.23Å; V203-R207 WeakPolarHBondContact O-CG 3.18Å; V203-R207 PolarHBondContact O-N 3.28Å; V203-R207 VanDerWaalsContact O-N 3.09Å; T204-R207 PolarHBondContact O-N 2.88Å; T204-R207 VanDerWaalsContact O-N 3.14Å; I205-R207 VanDerWaalsContact C-N 3.31Å; I205-R207 PolarHBondContact O-N 3.29Å; R207-R209 PolarHBondContact O-N 2.72Å; R207-K210 VanDerWaalsContact O-CB 3.29Å; R207-K210 WeakPolarHBondContact O-CB 3.44Å; R207-K210 PolarHBondContact O-N 3.16Å; R207-K210 VanDerWaalsContact O-N 3.17Å; R207-H211 PolarHBondContact O-CD2 2.64Å
208I96.9Very high94.3Very high0 Ų054.3 Ų54.30%027%0.266CS..Hα-helixtrans-55.7-52.1173.6-68.8167.3000110.7E165 A168 M169 T204 I205 K210 H211 F212 I222E165-I208 HydrophobicContact CB-CD1 4.21Å; E165-I208 HydrophobicContact CB-CG1 3.87Å; E165-I208 HydrophobicContact CG-CD1 4.39Å; E165-I208 HydrophobicContact CG-CG1 3.87Å; A168-I208 HydrophobicContact CB-CD1 3.74Å; M169-I208 HydrophobicContact CG-CD1 4.11Å; M169-I208 HydrophobicContact CG-CG1 4.34Å; M169-I208 HydrophobicContact CG-CG2 3.99Å; M169-I208 HydrophobicContact SD-CD1 4.4Å; M169-I208 HydrophobicContact SD-CG2 3.38Å; M169-I208 WeakPolarHBondContact SD-CG2 3.47Å; T204-I208 HydrophobicContact CG2-CD1 3.95Å; T204-I208 HydrophobicContact CG2-CG1 4.49Å; T204-I208 WeakPolarHBondContact O-CG1 3.4Å; T204-I208 PolarHBondContact O-N 3.09Å; I205-I208 HydrophobicContact CD1-CD1 4.39Å; I205-I208 PolarHBondContact O-N 2.51Å; I208-K210 PolarHBondContact O-N 2.68Å; I208-H211 WeakPolarHBondContact O-CB 3.42Å; I208-H211 PolarHBondContact O-N 3.04Å; I208-H211 VanDerWaalsContact O-N 3.09Å; I208-F212 HydrophobicContact CG2-CD2 4.32Å; I208-F212 HydrophobicContact CG2-CE2 3.5Å; I208-F212 HydrophobicContact CG2-CZ 4.04Å; I208-I222 HydrophobicContact CB-CD1 4.4Å; I208-I222 HydrophobicContact CG2-CD1 3.5Å
209R97.2Very high94.5Very high41 Ų4157.4 Ų57.416%0.15529%0.286CS..Hα-helixtrans-56.3-36.1179.6-81.3-177.8177.7153.2-0.4112.9I205 R207 H211 F212 E213 I222 T224I205-R209 HydrophobicContact CG2-CG 4.37Å; I205-R209 WeakPolarHBondContact O-CB 3.34Å; I205-R209 WeakPolarHBondContact O-CG 2.91Å; I205-R209 PolarHBondContact O-N 3.07Å; R207-R209 PolarHBondContact O-N 2.72Å; R209-H211 PolarHBondContact O-N 3.36Å; R209-F212 PolarHBondContact O-N 3.3Å; R209-E213 WeakPolarHBondContact O-CB 3.44Å; R209-E213 WeakPolarHBondContact O-CG 3.07Å; R209-E213 PolarHBondContact O-N 3.48Å; R209-I222 HydrophobicContact CG-CB 4.47Å; R209-I222 PolarHBondContact NE-O 3.26Å; R209-I222 PolarHBondContact NH2-O 3.01Å; R209-T224 PolarHBondContact NH1-OG1 2.87Å; R209-T224 PolarHBondContact NH2-OG1 3.11Å
210K95.4Very high94.7Very high152 Ų15259 Ų5966%0.66130%0.298SS*.Hα-helixtrans-57.3-33.2179.2-168.8-175.5174.9-171.60112.7R206 R207 I208 S214R206-K210 PolarHBondContact O-N 3.49Å; R206-K210 VanDerWaalsContact O-N 3.16Å; R207-K210 VanDerWaalsContact O-CB 3.29Å; R207-K210 WeakPolarHBondContact O-CB 3.44Å; R207-K210 PolarHBondContact O-N 3.16Å; R207-K210 VanDerWaalsContact O-N 3.17Å; I208-K210 PolarHBondContact O-N 2.68Å; K210-S214 VanDerWaalsContact O-CB 3.32Å; K210-S214 WeakPolarHBondContact O-CB 3.43Å; K210-S214 PolarHBondContact O-N 2.99Å; K210-S214 VanDerWaalsContact O-N 3.09Å; K210-S214 PolarHBondContact O-OG 3.42Å
211H94.7Very high94.8Very high36 Ų3659.1 Ų59.117%0.16730%0.299CS..Hα-helixtrans-64.5-43.2174.7-64.7-72.7000111.7W142 L151 Y159 E165 R207 I208 R209 S214 T215W142-H211 HydrophobicContact CH2-CB 4.33Å; W142-H211 WeakPolarHBondContact CH2-O 3.13Å; W142-H211 WeakPolarHBondContact CZ2-O 3.48Å; W142-H211 HydrophobicContact CZ3-CB 4.45Å; L151-H211 HydrophobicContact CD1-CB 4.34Å; Y159-H211 AromaticContact CD1-ND1 3.61Å; Y159-H211 AromaticContact CG-CE1 3.97Å; Y159-H211 AromaticContact CG-ND1 3.45Å; E165-H211 IonicContact OE2-NE2 3.85Å; R207-H211 PolarHBondContact O-CD2 2.64Å; I208-H211 WeakPolarHBondContact O-CB 3.42Å; I208-H211 PolarHBondContact O-N 3.04Å; I208-H211 VanDerWaalsContact O-N 3.09Å; R209-H211 PolarHBondContact O-N 3.36Å; H211-S214 PolarHBondContact O-OG 2.89Å; H211-T215 PolarHBondContact O-OG1 3.18Å
212F95.9Very high94.9Very high5 Ų559 Ų592%0.02230%0.298CS..Hα-helixtrans-71.8-48.6179.5-53-42.8000111.5F139 W142 L151 M169 I208 R209 S214 T215 T218 I221 I222F139-F212 AromaticContact CE2-CE1 3.96Å; F139-F212 HydrophobicContact CE2-CE1 3.96Å; F139-F212 HydrophobicContact CE2-CZ 4.08Å; F139-F212 HydrophobicContact CZ-CE1 4.19Å; F139-F212 HydrophobicContact CZ-CZ 4.19Å; W142-F212 AromaticContact CD2-CD1 3.73Å; W142-F212 HydrophobicContact CD2-CD1 3.73Å; W142-F212 AromaticContact CD2-CE1 3.85Å; W142-F212 HydrophobicContact CD2-CE1 3.85Å; W142-F212 AromaticContact CE2-CD1 3.6Å; W142-F212 HydrophobicContact CE3-CD1 4.07Å; W142-F212 AromaticContact CE3-CE1 3.96Å; W142-F212 HydrophobicContact CE3-CE1 3.96Å; W142-F212 HydrophobicContact CG-CD1 4.25Å; W142-F212 HydrophobicContact CG-CE1 4.21Å; W142-F212 HydrophobicContact CH2-CD1 4.19Å; W142-F212 AromaticContact CZ2-CD1 3.84Å; W142-F212 HydrophobicContact CZ2-CD1 3.84Å; W142-F212 HydrophobicContact CZ3-CD1 4.28Å; W142-F212 HydrophobicContact CZ3-CE1 4.42Å; L151-F212 HydrophobicContact CD1-CE1 3.82Å; L151-F212 HydrophobicContact CD1-CZ 3.87Å; L151-F212 HydrophobicContact CD2-CE1 4.36Å; M169-F212 HydrophobicContact CE-CE2 4.44Å; M169-F212 HydrophobicContact CE-CZ 3.77Å; M169-F212 HydrophobicContact SD-CE2 4.17Å; M169-F212 HydrophobicContact SD-CZ 3.93Å; I208-F212 HydrophobicContact CG2-CD2 4.32Å; I208-F212 HydrophobicContact CG2-CE2 3.5Å; I208-F212 HydrophobicContact CG2-CZ 4.04Å; R209-F212 PolarHBondContact O-N 3.3Å; F212-S214 PolarHBondContact O-N 3.46Å; F212-T215 PolarHBondContact O-N 3.21Å; F212-T218 HydrophobicContact CB-CG2 3.85Å; F212-T218 VanDerWaalsContact O-CB 3.29Å; F212-T218 WeakPolarHBondContact O-CB 3.47Å; F212-T218 PolarHBondContact O-OG1 2.96Å; F212-I221 HydrophobicContact CB-CG1 4.06Å; F212-I221 HydrophobicContact CD1-CG1 4.09Å; F212-I221 HydrophobicContact CD2-CB 3.58Å; F212-I221 HydrophobicContact CD2-CG1 3.9Å; F212-I221 HydrophobicContact CD2-CG2 3.9Å; F212-I221 HydrophobicContact CE1-CG2 4.39Å; F212-I221 HydrophobicContact CE2-CB 3.8Å; F212-I221 HydrophobicContact CE2-CG1 4.35Å; F212-I221 HydrophobicContact CE2-CG2 3.55Å; F212-I221 HydrophobicContact CG-CB 4Å; F212-I221 HydrophobicContact CG-CG1 3.75Å; F212-I221 HydrophobicContact CG-CG2 4.46Å; F212-I221 HydrophobicContact CZ-CB 4.4Å; F212-I221 HydrophobicContact CZ-CG2 3.84Å; F212-I222 HydrophobicContact CE2-CD1 4.17Å; F212-I222 HydrophobicContact CE2-CG1 4.38Å
213E94.3Very high95Very high143 Ų14357.7 Ų57.767%0.66829%0.292SS*.Hα-helixtrans-68-21-177.2-67.5170.3-174.300113.2R209 T215R209-E213 WeakPolarHBondContact O-CB 3.44Å; R209-E213 WeakPolarHBondContact O-CG 3.07Å; R209-E213 PolarHBondContact O-N 3.48Å; E213-T215 VanDerWaalsContact C-N 3.26Å
214S91.3Very high95.1Very high76 Ų7660.6 Ų60.653%0.53131%0.31SS..THydrogen-bonded Turntrans-75.5-1517358.20000113.6K210 H211 F212K210-S214 VanDerWaalsContact O-CB 3.32Å; K210-S214 WeakPolarHBondContact O-CB 3.43Å; K210-S214 PolarHBondContact O-N 2.99Å; K210-S214 VanDerWaalsContact O-N 3.09Å; K210-S214 PolarHBondContact O-OG 3.42Å; H211-S214 PolarHBondContact O-OG 2.89Å; F212-S214 PolarHBondContact O-N 3.46Å
215T91.1Very high95.2Very high21 Ų2162 Ų6213%0.12932%0.317CS..SBendtrans-98.5122.9-178.2-59.30000109.8W142 P154 H211 F212 E213 T218W142-T215 HydrophobicContact CZ2-CG2 4.26Å; W142-T215 VanDerWaalsContact CZ2-OG1 3.27Å; W142-T215 WeakPolarHBondContact CZ2-OG1 3.48Å; P154-T215 HydrophobicContact CG-CG2 4.22Å; H211-T215 PolarHBondContact O-OG1 3.18Å; F212-T215 PolarHBondContact O-N 3.21Å; E213-T215 VanDerWaalsContact C-N 3.26Å; T215-T218 VanDerWaalsContact CB-OG1 3.32Å; T215-T218 WeakPolarHBondContact CB-OG1 3.47Å; T215-T218 WeakPolarHBondContact CG2-OG1 3.44Å; T215-T218 WeakPolarHBondContact O-CB 3.49Å; T215-T218 PolarHBondContact O-N 2.89Å; T215-T218 PolarHBondContact O-OG1 3.36Å
216P90.3Very high95.1Very high108 Ų10870.7 Ų70.770%0.70136%0.357SS*.THydrogen-bonded Turntrans-52.3144.8-179.1-26.634.5000113.1T218P216-T218 PolarHBondContact O-N 2.95Å
217D89.5Confident94.9Very high168 Ų16866.9 Ų66.990%0.89837%0.369SS*.THydrogen-bonded Turntrans59.411.8175.3-52.9-45.7000115.7P219D217-P219 WeakPolarHBondContact O-CD 3.3Å
218T92.2Very high95Very high33 Ų3370.4 Ų70.420%0.20239%0.387CS..  trans-70.5123.7175.4-56.10000110.3F212 T215 P216 I221F212-T218 HydrophobicContact CB-CG2 3.85Å; F212-T218 VanDerWaalsContact O-CB 3.29Å; F212-T218 WeakPolarHBondContact O-CB 3.47Å; F212-T218 PolarHBondContact O-OG1 2.96Å; T215-T218 VanDerWaalsContact CB-OG1 3.32Å; T215-T218 WeakPolarHBondContact CB-OG1 3.47Å; T215-T218 WeakPolarHBondContact CG2-OG1 3.44Å; T215-T218 WeakPolarHBondContact O-CB 3.49Å; T215-T218 PolarHBondContact O-N 2.89Å; T215-T218 PolarHBondContact O-OG1 3.36Å; P216-T218 PolarHBondContact O-N 2.95Å; T218-I221 HydrophobicContact CG2-CD1 4.24Å; T218-I221 HydrophobicContact CG2-CG1 3.95Å
219P94.4Very high95.1Very high70 Ų7070.7 Ų70.746%0.45539%0.39SS..  trans-68.7171.6176.229.4-34.7000111.6N140 D217 I221N140-P219 HydrophobicContact CB-CG 4.38Å; D217-P219 WeakPolarHBondContact O-CD 3.3Å; P219-I221 HydrophobicContact CG-CD1 4.17Å; P219-I221 PolarHBondContact O-N 2.79Å
220E95.8Very high95.1Very high128 Ų12869.7 Ų69.760%0.59839%0.386SS*.  trans-65.598.8174.9-174-177.8-12500110.7A223 C233E220-A223 HydrophobicContact CG-CB 4.5Å; E220-A223 WeakPolarHBondContact OE2-CB 3.41Å; E220-C233 VanDerWaalsContact O-CB 3.3Å; E220-C233 WeakPolarHBondContact O-CB 3.39Å
221I97.9Very high95.3Very high4 Ų466.5 Ų66.52%0.02137%0.37CS..SBendtrans-74.1-32.1179.8-57.6-56000112.3F139 N140 F212 T218 P219 F232 C233 G234F139-I221 HydrophobicContact CD2-CD1 4.27Å; F139-I221 HydrophobicContact CD2-CG2 4.05Å; F139-I221 HydrophobicContact CE2-CG2 3.68Å; N140-I221 HydrophobicContact CB-CD1 3.91Å; F212-I221 HydrophobicContact CB-CG1 4.06Å; F212-I221 HydrophobicContact CD1-CG1 4.09Å; F212-I221 HydrophobicContact CD2-CB 3.58Å; F212-I221 HydrophobicContact CD2-CG1 3.9Å; F212-I221 HydrophobicContact CD2-CG2 3.9Å; F212-I221 HydrophobicContact CE1-CG2 4.39Å; F212-I221 HydrophobicContact CE2-CB 3.8Å; F212-I221 HydrophobicContact CE2-CG1 4.35Å; F212-I221 HydrophobicContact CE2-CG2 3.55Å; F212-I221 HydrophobicContact CG-CB 4Å; F212-I221 HydrophobicContact CG-CG1 3.75Å; F212-I221 HydrophobicContact CG-CG2 4.46Å; F212-I221 HydrophobicContact CZ-CB 4.4Å; F212-I221 HydrophobicContact CZ-CG2 3.84Å; T218-I221 HydrophobicContact CG2-CD1 4.24Å; T218-I221 HydrophobicContact CG2-CG1 3.95Å; P219-I221 HydrophobicContact CG-CD1 4.17Å; P219-I221 PolarHBondContact O-N 2.79Å; I221-F232 HydrophobicContact CG2-CD2 4.06Å; I221-F232 HydrophobicContact CG2-CE2 3.46Å; I221-F232 VanDerWaalsContact CG2-CE2 3.46Å; I221-F232 HydrophobicContact CG2-CZ 4.22Å; I221-C233 PolarHBondContact O-N 3.22Å; I221-G234 PolarHBondContact O-N 2.92Å
222I98.2Very high95.4Very high1 Ų164.9 Ų64.91%0.00536%0.362CS..EExtended strand (participates in β ladder)trans-130.7115.1177.9-57.6176.1000108.7M169 F172 I205 I208 R209 F212 Y230 R231 F232M169-I222 HydrophobicContact SD-CD1 3.98Å; F172-I222 HydrophobicContact CD2-CD1 3.98Å; F172-I222 HydrophobicContact CE2-CD1 3.8Å; F172-I222 HydrophobicContact CE2-CG1 4.48Å; F172-I222 HydrophobicContact CE2-CG2 4.35Å; F172-I222 HydrophobicContact CZ-CG2 4.17Å; I205-I222 HydrophobicContact CG2-CG2 4.01Å; I208-I222 HydrophobicContact CB-CD1 4.4Å; I208-I222 HydrophobicContact CG2-CD1 3.5Å; R209-I222 HydrophobicContact CG-CB 4.47Å; R209-I222 PolarHBondContact NE-O 3.26Å; R209-I222 PolarHBondContact NH2-O 3.01Å; F212-I222 HydrophobicContact CE2-CD1 4.17Å; F212-I222 HydrophobicContact CE2-CG1 4.38Å; I222-Y230 HydrophobicContact CG2-CD1 4.45Å; I222-R231 CarbonylContact C-O 3.6Å; I222-R231 VanDerWaalsContact CA-O 3.31Å; I222-R231 WeakPolarHBondContact CA-O 3.35Å; I222-F232 HydrophobicContact CG1-CD2 4.32Å
223A97.8Very high95.5Very high8 Ų867 Ų677%0.06638%0.378CS..EExtended strand (participates in β ladder)trans-90.8145.717700000112.2E220 I225 Y230 R231 C233E220-A223 HydrophobicContact CG-CB 4.5Å; E220-A223 WeakPolarHBondContact OE2-CB 3.41Å; A223-I225 HydrophobicContact CB-CD1 4.3Å; A223-Y230 CarbonylContact O-C 3.57Å; A223-Y230 VanDerWaalsContact O-CA 3.3Å; A223-Y230 WeakPolarHBondContact O-CA 3.21Å; A223-R231 PolarHBondContact N-O 3.26Å; A223-R231 PolarHBondContact O-N 2.98Å; A223-C233 VanDerWaalsContact CB-SG 3.5Å
224T98.1Very high95.5Very high72 Ų7260.7 Ų60.744%0.44235%0.35SS..EExtended strand (participates in β ladder)trans-89.1122.8168.4-62.10000109R209 Y230R209-T224 PolarHBondContact NH1-OG1 2.87Å; R209-T224 PolarHBondContact NH2-OG1 3.11Å; T224-Y230 HydrophobicContact CG2-CE1 4.35Å
225I98Very high95.7Very high32 Ų3262.5 Ų62.516%0.16435%0.354CS..EExtended strand (participates in β ladder)trans-103105174-48.5-57.6000107.7I179 A223 G227 E228 G229 R231I179-I225 HydrophobicContact CD1-CG2 4.13Å; I179-I225 HydrophobicContact CG1-CG1 4.28Å; A223-I225 HydrophobicContact CB-CD1 4.3Å; I225-G227 PolarHBondContact O-N 3.19Å; I225-E228 HydrophobicContact CB-CB 4.25Å; I225-E228 HydrophobicContact CG2-CB 3.87Å; I225-E228 HydrophobicContact CG2-CG 4.12Å; I225-E228 VanDerWaalsContact CG2-OE1 3.32Å; I225-E228 WeakPolarHBondContact CG2-OE1 3.42Å; I225-E228 PolarHBondContact O-N 2.85Å; I225-G229 PolarHBondContact N-O 3.05Å; I225-G229 PolarHBondContact O-N 2.71Å; I225-R231 HydrophobicContact CD1-CB 4.24Å; I225-R231 HydrophobicContact CG1-CB 3.98Å
226H95.1Very high95.9Very high183 Ų18364.2 Ų64.285%0.84736%0.362SS*.THydrogen-bonded Turntrans-59.5126.5-167.5-164.376.7000112.2E228H226-E228 PolarHBondContact O-N 2.84Å
227G94.4Very high96Very high83 Ų8364 Ų6486%0.85635%0.352SS*.THydrogen-bonded Turntrans78.9-11.9-177.700000115.2I225I225-G227 PolarHBondContact O-N 3.19Å
228E96.8Very high95.4Very high114 Ų11467.6 Ų67.653%0.53337%0.371SS..THydrogen-bonded Turntrans-111.3-41.1-175.3-57.8-175.9-112.200112.4I179 S181 I225 H226I179-E228 WeakPolarHBondContact CD1-OE2 3.31Å; I179-E228 HydrophobicContact CG2-CB 3.93Å; S181-E228 WeakPolarHBondContact CA-O 3.43Å; I225-E228 HydrophobicContact CB-CB 4.25Å; I225-E228 HydrophobicContact CG2-CB 3.87Å; I225-E228 HydrophobicContact CG2-CG 4.12Å; I225-E228 VanDerWaalsContact CG2-OE1 3.32Å; I225-E228 WeakPolarHBondContact CG2-OE1 3.42Å; I225-E228 PolarHBondContact O-N 2.85Å; H226-E228 PolarHBondContact O-N 2.84Å
229G97.8Very high95.5Very high6 Ų669.4 Ų69.46%0.06238%0.38CS..EExtended strand (participates in β ladder)trans143.9-131.1179.600000112.9Q180 I225Q180-G229 WeakPolarHBondContact O-CA 3.44Å; I225-G229 PolarHBondContact N-O 3.05Å; I225-G229 PolarHBondContact O-N 2.71Å
230Y98.6Very high95.6Very high21 Ų2169.3 Ų69.38%0.08238%0.376CS..EExtended strand (participates in β ladder)trans-131.8151.4-175.2-58-86.7000111Q180 R182 L185 V201 D202 I205 I222 A223 T224Q180-Y230 PolarHBondContact N-O 3Å; Q180-Y230 PolarHBondContact O-N 3.44Å; R182-Y230 HydrophobicContact CG-CE2 4.12Å; L185-Y230 HydrophobicContact CD1-CD2 3.6Å; L185-Y230 HydrophobicContact CD1-CG 4.26Å; V201-Y230 HydrophobicContact CG1-CD2 4.04Å; V201-Y230 HydrophobicContact CG1-CE2 3.65Å; D202-Y230 WeakPolarHBondContact CA-OH 3.34Å; D202-Y230 PolarHBondContact OD1-OH 3.02Å; I205-Y230 HydrophobicContact CB-CD1 4.33Å; I205-Y230 HydrophobicContact CB-CE1 4.07Å; I205-Y230 HydrophobicContact CD1-CG 4.44Å; I205-Y230 HydrophobicContact CG1-CD1 4.09Å; I205-Y230 HydrophobicContact CG1-CD2 3.96Å; I205-Y230 HydrophobicContact CG1-CE1 4.09Å; I205-Y230 HydrophobicContact CG1-CE2 3.98Å; I205-Y230 HydrophobicContact CG1-CG 4.01Å; I205-Y230 HydrophobicContact CG2-CD1 3.7Å; I205-Y230 HydrophobicContact CG2-CE1 3.69Å; I205-Y230 HydrophobicContact CG2-CG 4.39Å; I222-Y230 HydrophobicContact CG2-CD1 4.45Å; A223-Y230 CarbonylContact O-C 3.57Å; A223-Y230 VanDerWaalsContact O-CA 3.3Å; A223-Y230 WeakPolarHBondContact O-CA 3.21Å; T224-Y230 HydrophobicContact CG2-CE1 4.35Å
231R98.3Very high95.6Very high85 Ų8566.1 Ų66.132%0.32136%0.363SS..EExtended strand (participates in β ladder)trans-129.7134.6179.2-177-176.4-62.3167.32.5109.7G177 I179 I222 A223 I225G177-R231 VanDerWaalsContact O-CD 3.3Å; G177-R231 WeakPolarHBondContact O-CD 3.24Å; G177-R231 WeakPolarHBondContact O-CG 3.17Å; G177-R231 PolarHBondContact O-NE 3.24Å; I179-R231 VanDerWaalsContact CD1-NH2 3.35Å; I179-R231 VanDerWaalsContact CG1-NH2 3.29Å; I222-R231 CarbonylContact C-O 3.6Å; I222-R231 VanDerWaalsContact CA-O 3.31Å; I222-R231 WeakPolarHBondContact CA-O 3.35Å; A223-R231 PolarHBondContact N-O 3.26Å; A223-R231 PolarHBondContact O-N 2.98Å; I225-R231 HydrophobicContact CD1-CB 4.24Å; I225-R231 HydrophobicContact CG1-CB 3.98Å
232F98.2Very high95.5Very high1 Ų169.7 Ų69.70%0.00438%0.383CS..EExtended strand (participates in β ladder)trans-78121.4167.5-172.9-106000109.6F139 M169 F172 P176 G177 I221 I222 G234 L236F139-F232 HydrophobicContact CB-CZ 4.22Å; F139-F232 AromaticContact CD1-CZ 3.91Å; F139-F232 HydrophobicContact CD1-CZ 3.91Å; F139-F232 HydrophobicContact CD2-CE2 4.25Å; F139-F232 AromaticContact CD2-CZ 3.78Å; F139-F232 HydrophobicContact CD2-CZ 3.78Å; F139-F232 HydrophobicContact CE1-CZ 4.24Å; F139-F232 HydrophobicContact CE2-CE2 4.19Å; F139-F232 HydrophobicContact CE2-CZ 4.12Å; F139-F232 AromaticContact CG-CZ 3.68Å; F139-F232 HydrophobicContact CG-CZ 3.68Å; F139-F232 HydrophobicContact CZ-CE2 4.38Å; F139-F232 HydrophobicContact CZ-CZ 4.34Å; M169-F232 HydrophobicContact CE-CE2 4.01Å; F172-F232 HydrophobicContact CB-CB 3.72Å; F172-F232 HydrophobicContact CB-CD2 3.77Å; F172-F232 HydrophobicContact CB-CG 3.85Å; F172-F232 HydrophobicContact CD1-CB 3.75Å; F172-F232 HydrophobicContact CG-CB 3.94Å; F172-F232 HydrophobicContact CG-CD2 4.31Å; F172-F232 HydrophobicContact CG-CG 4.46Å; P176-F232 HydrophobicContact CB-CD1 4.27Å; G177-F232 WeakPolarHBondContact CA-O 3.42Å; G177-F232 PolarHBondContact N-O 2.85Å; I221-F232 HydrophobicContact CG2-CD2 4.06Å; I221-F232 HydrophobicContact CG2-CE2 3.46Å; I221-F232 VanDerWaalsContact CG2-CE2 3.46Å; I221-F232 HydrophobicContact CG2-CZ 4.22Å; I222-F232 HydrophobicContact CG1-CD2 4.32Å; F232-G234 WeakPolarHBondContact CE1-O 3.25Å; F232-L236 HydrophobicContact CE1-CD2 4.04Å; F232-L236 HydrophobicContact CE1-CG 4.11Å; F232-L236 HydrophobicContact CZ-CD2 4.45Å
233C97.2Very high95.3Very high51 Ų5174 Ų7435%0.34541%0.407SS..  trans-113.75.1-176.3-62.80000112.2E220 I221 A223E220-C233 VanDerWaalsContact O-CB 3.3Å; E220-C233 WeakPolarHBondContact O-CB 3.39Å; I221-C233 PolarHBondContact O-N 3.22Å; A223-C233 VanDerWaalsContact CB-SG 3.5Å
234G94.7Very high95.1Very high9 Ų978.4 Ų78.49%0.09343%0.43CS..  trans-66.3142.7173.500000111.8N140 I221 F232 L236N140-G234 WeakPolarHBondContact OD1-CA 3.09Å; I221-G234 PolarHBondContact O-N 2.92Å; F232-G234 WeakPolarHBondContact CE1-O 3.25Å; G234-L236 PolarHBondContact O-N 3.28Å
235D95.2Very high94.9Very high114 Ų11478.9 Ų78.961%0.6143%0.429SS*.  trans-82.796.8174.2-59.2-57.7000108.1F139 N140 E237F139-D235 WeakPolarHBondContact CA-O 3.42Å; F139-D235 WeakPolarHBondContact CB-O 3.29Å; N140-D235 PolarHBondContact ND2-OD2 3.24Å; N140-D235 PolarHBondContact OD1-N 2.97Å; D235-E237 PolarHBondContact O-N 3.15Å
236L95.2Very high94.7Very high57 Ų5782.5 Ų82.530%0.29845%0.449SS..BIsolated β-bridgetrans-62.3133.4176.2-72.8176.2000110.5Y137 K138 F139 C173 P176 F232 G234Y137-L236 HydrophobicContact CD1-CD2 4.4Å; K138-L236 CarbonylContact O-C 3.13Å; K138-L236 WeakPolarHBondContact O-CA 3.49Å; F139-L236 HydrophobicContact CB-CD2 4.12Å; F139-L236 HydrophobicContact CD1-CD2 4.19Å; C173-L236 HydrophobicContact CB-CD2 4.4Å; C173-L236 WeakPolarHBondContact O-CD1 3.2Å; P176-L236 HydrophobicContact CB-CD1 3.7Å; P176-L236 HydrophobicContact CB-CG 4.4Å; P176-L236 HydrophobicContact CG-CD1 3.73Å; F232-L236 HydrophobicContact CE1-CD2 4.04Å; F232-L236 HydrophobicContact CE1-CG 4.11Å; F232-L236 HydrophobicContact CZ-CD2 4.45Å; G234-L236 PolarHBondContact O-N 3.28Å
237E93.3Very high94.6Very high103 Ų10374.1 Ų74.148%0.48142%0.416SS..  trans-86.5145.2170.1-58.8170.8-150.200109.3K138 D235K138-E237 HydrophobicContact CB-CB 3.95Å; K138-E237 HydrophobicContact CB-CG 4.25Å; K138-E237 PolarHBondContact O-N 3.31Å; D235-E237 PolarHBondContact O-N 3.15Å
238D75.8Confident94.6Very high245 Ų24573.3 Ų73.3100%1.3138%0.376SS*.  trans-70.70179.8-71.9-36.7000113.4

Retrieved 238 of 238 residues in 822.5 ms (Link to these results)

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