A0A5K4F471_SCHMA Loading...

Glyco_hydro_5_C domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F471, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 298 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
1M93.5Very high94.2Very high66 Ų6673.4 Ų73.433%0.32538%0.383SS..  0-58.60-90.7-168.2-68.500110Y30 L33 V34 I46 F47 Y48 P72M1-Y30 HydrophobicContact CB-CD1 4.27Å; M1-Y30 HydrophobicContact CB-CE1 3.91Å; M1-Y30 HydrophobicContact CE-CD1 3.57Å; M1-Y30 HydrophobicContact CE-CD2 3.64Å; M1-Y30 HydrophobicContact CE-CE1 4.07Å; M1-Y30 HydrophobicContact CE-CE2 4.09Å; M1-Y30 HydrophobicContact CE-CG 3.33Å; M1-Y30 HydrophobicContact SD-CD1 3.72Å; M1-Y30 HydrophobicContact SD-CE1 4.32Å; M1-Y30 HydrophobicContact SD-CG 4Å; M1-L33 HydrophobicContact SD-CB 4.04Å; M1-L33 HydrophobicContact SD-CD1 4.11Å; M1-V34 HydrophobicContact CE-CG2 4.42Å; M1-V34 HydrophobicContact SD-CG2 4.11Å; M1-I46 HydrophobicContact CE-CG2 3.54Å; M1-I46 HydrophobicContact CG-CG2 4.04Å; M1-I46 HydrophobicContact SD-CG2 3.88Å; M1-F47 WeakPolarHBondContact CB-O 3.4Å; M1-F47 PolarHBondContact N-O 2.87Å; M1-Y48 HydrophobicContact CE-CG 4.39Å; M1-P72 HydrophobicContact CE-CB 4.18Å; M1-P72 HydrophobicContact CE-CG 3.92Å
2I96.6Very high94.3Very high62 Ų6279.6 Ų79.632%0.31842%0.416SS..  trans-135.4133.5171.3-65.7-175.6000106.6P5 F29 Y30I2-P5 HydrophobicContact CB-CB 4.48Å; I2-P5 HydrophobicContact CG2-CB 3.96Å; I2-F29 HydrophobicContact CD1-CD1 4.21Å; I2-F29 HydrophobicContact CD1-CE1 3.3Å; I2-F29 HydrophobicContact CD1-CZ 3.89Å; I2-F29 HydrophobicContact CG1-CE1 4.24Å; I2-Y30 HydrophobicContact CB-CE1 4.46Å; I2-Y30 HydrophobicContact CD1-CE1 4.38Å; I2-Y30 HydrophobicContact CG1-CE1 4.31Å
3N97Very high94.3Very high92 Ų9278.7 Ų78.749%0.49241%0.412SS..SBendtrans-76128.2171.4-173.584.4000109.5H89N3-H89 PolarHBondContact OD1-CE1 3.29Å
4E96.4Very high94.3Very high78 Ų7879.1 Ų79.136%0.36442%0.421SS..SBendtrans4559.6174.6-60.8-165.9138.100113.7E49 H89E4-E49 PolarHBondContact N-OE2 3.05Å; E4-H89 WeakPolarHBondContact CG-ND1 3.34Å; E4-H89 IonicContact OE1-ND1 2.98Å; E4-H89 PolarHBondContact OE1-ND1 2.85Å
5P96.2Very high94.3Very high3 Ų382.8 Ų82.82%0.01943%0.433CS..  trans-60.5130.7-174.924.7-33.9000111.1I2 L26 E49 S50I2-P5 HydrophobicContact CB-CB 4.48Å; I2-P5 HydrophobicContact CG2-CB 3.96Å; P5-L26 HydrophobicContact CB-CD1 3.98Å; P5-L26 HydrophobicContact CB-CD2 3.48Å; P5-L26 VanDerWaalsContact CB-CD2 3.48Å; P5-L26 HydrophobicContact CB-CG 4.37Å; P5-L26 HydrophobicContact CG-CD1 3.88Å; P5-L26 HydrophobicContact CG-CD2 3.99Å; P5-E49 HydrophobicContact CG-CB 4.29Å; P5-S50 WeakPolarHBondContact CD-O 3.32Å; P5-S50 VanDerWaalsContact CG-O 3.25Å; P5-S50 WeakPolarHBondContact CG-O 3.41Å
6P93Very high94.3Very high96 Ų9679.1 Ų79.162%0.62341%0.413SS*.  trans-70.9152.4178.129.6-34.8000110.7G8P6-G8 PolarHBondContact O-N 3.25Å
7P93.2Very high94.2Very high23 Ų2379.1 Ų79.115%0.14941%0.413CS..  trans-67.2-417524.8-31.5000114.2F10 L16 L17 A22 V51 Y53P7-F10 HydrophobicContact CG-CD1 3.95Å; P7-L16 VanDerWaalsContact CB-O 3.24Å; P7-L16 WeakPolarHBondContact CB-O 3.43Å; P7-L16 WeakPolarHBondContact O-CB 3.34Å; P7-L17 HydrophobicContact CG-CD2 3.98Å; P7-A22 HydrophobicContact CB-CB 4.08Å; P7-V51 HydrophobicContact CB-CG1 4.05Å; P7-Y53 HydrophobicContact CG-CE1 4.44Å
8G90.5Very high94Very high39 Ų3979.5 Ų79.540%0.40242%0.416SS..  trans99.9-163.8-171.900000112.2P6 F10P6-G8 PolarHBondContact O-N 3.25Å; G8-F10 VanDerWaalsContact C-N 3.32Å; G8-F10 WeakPolarHBondContact O-CD1 3.5Å; G8-F10 PolarHBondContact O-N 3.15Å
9N93Very high93.7Very high87 Ų8776.5 Ų76.547%0.46540%0.401SS..  trans-80.576.7-178.1-169.3-15.4000112Y11 L12 N13N9-Y11 PolarHBondContact O-N 3.09Å; N9-Y11 PolarHBondContact OD1-N 2.79Å; N9-L12 WeakPolarHBondContact ND2-CD1 2.99Å; N9-L12 PolarHBondContact O-N 3.46Å; N9-L12 PolarHBondContact OD1-N 3.2Å; N9-N13 PolarHBondContact O-N 2.8Å; N9-N13 VanDerWaalsContact O-N 3.14Å
10F92.6Very high93.5Very high68 Ų6875.7 Ų75.730%0.29840%0.397SS..THydrogen-bonded Turntrans-69.8-12.8-178.563.1-91.9000114.3P7 G8 N13 P14 L16 L17P7-F10 HydrophobicContact CG-CD1 3.95Å; G8-F10 VanDerWaalsContact C-N 3.32Å; G8-F10 WeakPolarHBondContact O-CD1 3.5Å; G8-F10 PolarHBondContact O-N 3.15Å; F10-N13 WeakPolarHBondContact CA-O 2.96Å; F10-N13 CarbonylContact O-C 3.33Å; F10-P14 VanDerWaalsContact O-CA 3.31Å; F10-P14 WeakPolarHBondContact O-CA 3Å; F10-L16 HydrophobicContact CB-CB 4.3Å; F10-L17 HydrophobicContact CB-CD1 4.4Å; F10-L17 HydrophobicContact CB-CD2 3.96Å; F10-L17 HydrophobicContact CB-CG 3.81Å; F10-L17 HydrophobicContact CD1-CD2 4.16Å; F10-L17 HydrophobicContact CD2-CD1 4.16Å; F10-L17 HydrophobicContact CD2-CD2 4.15Å; F10-L17 HydrophobicContact CD2-CG 4.31Å; F10-L17 HydrophobicContact CG-CD1 4.46Å; F10-L17 HydrophobicContact CG-CD2 3.83Å; F10-L17 HydrophobicContact CG-CG 4.11Å
11Y93.8Very high93.4Very high193 Ų19374.7 Ų74.776%0.75739%0.392SS*.THydrogen-bonded Turntrans-69-36.5171-66.5-79.3000111.9N9N9-Y11 PolarHBondContact O-N 3.09Å; N9-Y11 PolarHBondContact OD1-N 2.79Å
12L95.7Very high93.5Very high148 Ų14871.7 Ų71.778%0.77538%0.377SS*.THydrogen-bonded Turntrans-83.6-34.3174.7-65.3175.9000112.2N9N9-L12 WeakPolarHBondContact ND2-CD1 2.99Å; N9-L12 PolarHBondContact O-N 3.46Å; N9-L12 PolarHBondContact OD1-N 3.2Å
13N94.9Very high93.4Very high68 Ų6868.7 Ų68.736%0.36436%0.362SS..  trans-135.692.1178.6-176.23.3000111.3N9 F10 F15 L16N9-N13 PolarHBondContact O-N 2.8Å; N9-N13 VanDerWaalsContact O-N 3.14Å; F10-N13 WeakPolarHBondContact CA-O 2.96Å; F10-N13 CarbonylContact O-C 3.33Å; N13-F15 PolarHBondContact O-N 2.01Å; N13-F15 VanDerWaalsContact O-N 3.07Å; N13-F15 WeakPolarHBondContact OD1-CB 3.41Å; N13-F15 WeakPolarHBondContact OD1-CD2 3.42Å; N13-F15 PolarHBondContact OD1-N 3.26Å; N13-L16 HydrophobicContact CB-CD1 4.13Å; N13-L16 HydrophobicContact CB-CG 4.13Å; N13-L16 VanDerWaalsContact O-CB 3.31Å; N13-L16 WeakPolarHBondContact O-CB 3.18Å; N13-L16 WeakPolarHBondContact O-CG 3.47Å; N13-L16 PolarHBondContact O-N 3.3Å
14P94.4Very high93.2Very high84 Ų8468.3 Ų68.355%0.54536%0.357SS..G310 helixtrans-58.3-23.4-179.1-27.135.5000114.5F10 L16 L17F10-P14 VanDerWaalsContact O-CA 3.31Å; F10-P14 WeakPolarHBondContact O-CA 3Å; P14-L16 PolarHBondContact O-N 3.15Å; P14-L16 VanDerWaalsContact O-N 3.16Å; P14-L17 WeakPolarHBondContact O-CB 3.08Å; P14-L17 PolarHBondContact O-N 3.12Å
15F94.1Very high93.1Very high135 Ų13568.6 Ų68.659%0.59236%0.361SS*.G310 helixtrans-64.1-17.8176.7-63.9-68000113N13 L17 L18 I21N13-F15 PolarHBondContact O-N 2.01Å; N13-F15 VanDerWaalsContact O-N 3.07Å; N13-F15 WeakPolarHBondContact OD1-CB 3.41Å; N13-F15 WeakPolarHBondContact OD1-CD2 3.42Å; N13-F15 PolarHBondContact OD1-N 3.26Å; F15-L17 PolarHBondContact O-N 3.04Å; F15-L18 HydrophobicContact CB-CD1 4.49Å; F15-L18 HydrophobicContact CD1-CD1 3.87Å; F15-L18 VanDerWaalsContact O-CB 3.27Å; F15-L18 WeakPolarHBondContact O-CB 3.4Å; F15-L18 PolarHBondContact O-N 2.95Å; F15-I21 HydrophobicContact CB-CD1 3.75Å; F15-I21 WeakPolarHBondContact O-CD1 3.36Å
16L93.8Very high93.1Very high24 Ų2469.3 Ų69.313%0.12637%0.365CS..G310 helixtrans-62.6-19.1171.6-69177.4000112.9P7 F10 N13 P14 L18 I21 A22P7-L16 VanDerWaalsContact CB-O 3.24Å; P7-L16 WeakPolarHBondContact CB-O 3.43Å; P7-L16 WeakPolarHBondContact O-CB 3.34Å; F10-L16 HydrophobicContact CB-CB 4.3Å; N13-L16 HydrophobicContact CB-CD1 4.13Å; N13-L16 HydrophobicContact CB-CG 4.13Å; N13-L16 VanDerWaalsContact O-CB 3.31Å; N13-L16 WeakPolarHBondContact O-CB 3.18Å; N13-L16 WeakPolarHBondContact O-CG 3.47Å; N13-L16 PolarHBondContact O-N 3.3Å; P14-L16 PolarHBondContact O-N 3.15Å; P14-L16 VanDerWaalsContact O-N 3.16Å; L16-L18 PolarHBondContact O-N 3.13Å; L16-I21 HydrophobicContact CD2-CG2 3.85Å; L16-A22 WeakPolarHBondContact O-CB 3.28Å
17L92.5Very high93.2Very high78 Ų7865.2 Ų65.241%0.40834%0.338SS..G310 helixtrans-74.1-14.5171.5-64.9173000113.1P7 F10 P14 F15 P19 Y53P7-L17 HydrophobicContact CG-CD2 3.98Å; F10-L17 HydrophobicContact CB-CD1 4.4Å; F10-L17 HydrophobicContact CB-CD2 3.96Å; F10-L17 HydrophobicContact CB-CG 3.81Å; F10-L17 HydrophobicContact CD1-CD2 4.16Å; F10-L17 HydrophobicContact CD2-CD1 4.16Å; F10-L17 HydrophobicContact CD2-CD2 4.15Å; F10-L17 HydrophobicContact CD2-CG 4.31Å; F10-L17 HydrophobicContact CG-CD1 4.46Å; F10-L17 HydrophobicContact CG-CD2 3.83Å; F10-L17 HydrophobicContact CG-CG 4.11Å; P14-L17 WeakPolarHBondContact O-CB 3.08Å; P14-L17 PolarHBondContact O-N 3.12Å; F15-L17 PolarHBondContact O-N 3.04Å; L17-P19 WeakPolarHBondContact O-CD 3.43Å; L17-Y53 WeakPolarHBondContact CA-OH 3.49Å; L17-Y53 PolarHBondContact O-OH 2.65Å
18L91.3Very high93.4Very high87 Ų8769.3 Ų69.346%0.45536%0.358SS..SBendtrans-73.4125.5176.9-62.7-179.6000108.9F15 L16 N20 I21 A22F15-L18 HydrophobicContact CB-CD1 4.49Å; F15-L18 HydrophobicContact CD1-CD1 3.87Å; F15-L18 VanDerWaalsContact O-CB 3.27Å; F15-L18 WeakPolarHBondContact O-CB 3.4Å; F15-L18 PolarHBondContact O-N 2.95Å; L16-L18 PolarHBondContact O-N 3.13Å; L18-N20 PolarHBondContact O-N 3.26Å; L18-N20 VanDerWaalsContact O-N 3.14Å; L18-I21 HydrophobicContact CB-CD1 4.35Å; L18-I21 HydrophobicContact CB-CG1 4.47Å; L18-I21 HydrophobicContact CD1-CD1 4.21Å; L18-I21 PolarHBondContact O-N 3.16Å; L18-A22 PolarHBondContact O-N 2.99Å; L18-A22 VanDerWaalsContact O-N 3.12Å
19P87.7Confident93.6Very high22 Ų2271.7 Ų71.714%0.14336%0.357CS..Hα-helixtrans-59.6-35.8-172.8-20.225.1000113.7L17 I21 A22 G23 Y53 F57 G65 G67L17-P19 WeakPolarHBondContact O-CD 3.43Å; P19-I21 PolarHBondContact O-N 3.33Å; P19-A22 PolarHBondContact O-N 3.07Å; P19-G23 WeakPolarHBondContact O-CA 3.33Å; P19-G23 PolarHBondContact O-N 2.82Å; P19-Y53 HydrophobicContact CG-CE2 4.19Å; P19-F57 HydrophobicContact CG-CB 4.35Å; P19-F57 HydrophobicContact CG-CD2 4.29Å; P19-F57 HydrophobicContact CG-CG 4.15Å; P19-G65 WeakPolarHBondContact CB-O 3.43Å; P19-G65 WeakPolarHBondContact CG-O 3.24Å; P19-G67 VanDerWaalsContact O-CA 3.3Å; P19-G67 WeakPolarHBondContact O-CA 3.26Å
20N88.9Confident93.9Very high61 Ų6167.6 Ų67.633%0.32634%0.335SS..Hα-helixtrans-58.6-34.1176.4-173.640.9000113L18 Q24L18-N20 PolarHBondContact O-N 3.26Å; L18-N20 VanDerWaalsContact O-N 3.14Å; N20-Q24 WeakPolarHBondContact O-CB 3.38Å; N20-Q24 WeakPolarHBondContact O-CG 3.47Å; N20-Q24 PolarHBondContact O-N 3.24Å; N20-Q24 PolarHBondContact OD1-NE2 2.77Å
21I93.3Very high94.1Very high55 Ų5564.8 Ų64.828%0.28232%0.323SS..Hα-helixtrans-82.1-50.7-179.4-63.3174.5000109.9F15 L16 L18 P19 G23 Q24 N25F15-I21 HydrophobicContact CB-CD1 3.75Å; F15-I21 WeakPolarHBondContact O-CD1 3.36Å; L16-I21 HydrophobicContact CD2-CG2 3.85Å; L18-I21 HydrophobicContact CB-CD1 4.35Å; L18-I21 HydrophobicContact CB-CG1 4.47Å; L18-I21 HydrophobicContact CD1-CD1 4.21Å; L18-I21 PolarHBondContact O-N 3.16Å; P19-I21 PolarHBondContact O-N 3.33Å; I21-G23 PolarHBondContact O-N 3.45Å; I21-Q24 PolarHBondContact O-N 2.83Å; I21-N25 PolarHBondContact O-N 3.25Å; I21-N25 VanDerWaalsContact O-N 3.1Å; I21-N25 PolarHBondContact O-ND2 2.92Å
22A93.8Very high94.3Very high2 Ų262.9 Ų62.92%0.01732%0.316CS..Hα-helixtrans-59.9-45.8178.200000112.2P7 L16 L18 P19 N25 L26 V51P7-A22 HydrophobicContact CB-CB 4.08Å; L16-A22 WeakPolarHBondContact O-CB 3.28Å; L18-A22 PolarHBondContact O-N 2.99Å; L18-A22 VanDerWaalsContact O-N 3.12Å; P19-A22 PolarHBondContact O-N 3.07Å; A22-N25 PolarHBondContact O-N 3.17Å; A22-L26 WeakPolarHBondContact O-CB 3.35Å; A22-L26 PolarHBondContact O-N 3.36Å; A22-V51 HydrophobicContact CB-CG1 3.67Å; A22-V51 HydrophobicContact CB-CG2 4.31Å
23G94.6Very high94.4Very high0 Ų058 Ų580%029%0.29CS..Hα-helixtrans-63.5-41.7-179.600000113.1P19 I21 L27 T66P19-G23 WeakPolarHBondContact O-CA 3.33Å; P19-G23 PolarHBondContact O-N 2.82Å; I21-G23 PolarHBondContact O-N 3.45Å; G23-L27 WeakPolarHBondContact O-CB 3.47Å; G23-L27 PolarHBondContact O-N 2.62Å; G23-T66 VanDerWaalsContact CA-O 3.24Å; G23-T66 WeakPolarHBondContact CA-O 3.47Å
24Q93.8Very high94.6Very high83 Ų8355.1 Ų55.139%0.38828%0.275SS..Hα-helixtrans-64.8-44175.3-77.3-178.326.700112N20 I21 L27 L28N20-Q24 WeakPolarHBondContact O-CB 3.38Å; N20-Q24 WeakPolarHBondContact O-CG 3.47Å; N20-Q24 PolarHBondContact O-N 3.24Å; N20-Q24 PolarHBondContact OD1-NE2 2.77Å; I21-Q24 PolarHBondContact O-N 2.83Å; Q24-L27 PolarHBondContact O-N 2.87Å; Q24-L28 WeakPolarHBondContact O-CG 3.34Å; Q24-L28 PolarHBondContact O-N 2.86Å
25N94.6Very high94.7Very high84 Ų8454.8 Ų54.845%0.44927%0.269SS..Hα-helixtrans-62.4-45.4177.6-71.1-20.9000111.5I21 A22 L27 L28 F29I21-N25 PolarHBondContact O-N 3.25Å; I21-N25 VanDerWaalsContact O-N 3.1Å; I21-N25 PolarHBondContact O-ND2 2.92Å; A22-N25 PolarHBondContact O-N 3.17Å; N25-L27 VanDerWaalsContact C-N 3.33Å; N25-L27 PolarHBondContact O-N 3.32Å; N25-L28 PolarHBondContact O-N 2.86Å; N25-F29 PolarHBondContact O-N 2.84Å; N25-F29 VanDerWaalsContact O-N 3.14Å
26L95.9Very high94.8Very high19 Ų1951.2 Ų51.210%0.09926%0.258CS..Hα-helixtrans-61.8-41.6175.4-85162.4000112P5 A22 L28 F29 Y30 V51 M68P5-L26 HydrophobicContact CB-CD1 3.98Å; P5-L26 HydrophobicContact CB-CD2 3.48Å; P5-L26 VanDerWaalsContact CB-CD2 3.48Å; P5-L26 HydrophobicContact CB-CG 4.37Å; P5-L26 HydrophobicContact CG-CD1 3.88Å; P5-L26 HydrophobicContact CG-CD2 3.99Å; A22-L26 WeakPolarHBondContact O-CB 3.35Å; A22-L26 PolarHBondContact O-N 3.36Å; L26-L28 PolarHBondContact O-N 3.34Å; L26-F29 PolarHBondContact O-N 3.13Å; L26-Y30 HydrophobicContact CB-CE2 4.49Å; L26-Y30 HydrophobicContact CD2-CE1 4.32Å; L26-Y30 HydrophobicContact CD2-CE2 4.45Å; L26-Y30 WeakPolarHBondContact O-CB 3.24Å; L26-Y30 PolarHBondContact O-N 2.78Å; L26-V51 HydrophobicContact CD1-CG1 3.71Å; L26-M68 HydrophobicContact CB-CE 3.5Å; L26-M68 VanDerWaalsContact CB-CE 3.5Å; L26-M68 HydrophobicContact CD1-CE 4.23Å; L26-M68 HydrophobicContact CG-CE 4.45Å
27L95.8Very high95Very high9 Ų953 Ų535%0.04727%0.267CS..Hα-helixtrans-63.4-40.5179.8-175.361.1000112.1G23 Q24 N25 Y30 D31 M68 R70 P72G23-L27 WeakPolarHBondContact O-CB 3.47Å; G23-L27 PolarHBondContact O-N 2.62Å; Q24-L27 PolarHBondContact O-N 2.87Å; N25-L27 VanDerWaalsContact C-N 3.33Å; N25-L27 PolarHBondContact O-N 3.32Å; L27-Y30 PolarHBondContact O-N 3.04Å; L27-D31 VanDerWaalsContact O-CG 3.28Å; L27-D31 PolarHBondContact O-N 2.85Å; L27-M68 HydrophobicContact CB-CG 4.4Å; L27-R70 HydrophobicContact CD1-CG 4.4Å; L27-R70 WeakPolarHBondContact CD1-O 3.14Å; L27-R70 HydrophobicContact CD2-CG 3.67Å; L27-P72 HydrophobicContact CD1-CG 4.07Å
28L95.7Very high95.2Very high110 Ų11050.6 Ų50.658%0.57625%0.253SS*.Hα-helixtrans-63.4-43.5174.6-70.4172.5000111.9Q24 N25 L26 Y30 D31 Y32Q24-L28 WeakPolarHBondContact O-CG 3.34Å; Q24-L28 PolarHBondContact O-N 2.86Å; N25-L28 PolarHBondContact O-N 2.86Å; L26-L28 PolarHBondContact O-N 3.34Å; L28-Y30 VanDerWaalsContact C-N 3.33Å; L28-D31 PolarHBondContact O-N 2.83Å; L28-Y32 PolarHBondContact O-N 2.95Å
29F96.6Very high95.5Very high89 Ų8953 Ų5339%0.3926%0.261SS..Hα-helixtrans-62.4-42.6175.2171.6-103.3000111.6I2 N25 L26 Y32 L33I2-F29 HydrophobicContact CD1-CD1 4.21Å; I2-F29 HydrophobicContact CD1-CE1 3.3Å; I2-F29 HydrophobicContact CD1-CZ 3.89Å; I2-F29 HydrophobicContact CG1-CE1 4.24Å; N25-F29 PolarHBondContact O-N 2.84Å; N25-F29 VanDerWaalsContact O-N 3.14Å; L26-F29 PolarHBondContact O-N 3.13Å; F29-Y32 WeakPolarHBondContact O-CB 3.5Å; F29-Y32 PolarHBondContact O-N 2.85Å; F29-L33 HydrophobicContact CD1-CD1 4.15Å; F29-L33 HydrophobicContact CD1-CG 4.47Å; F29-L33 HydrophobicContact CE1-CD1 3.3Å; F29-L33 HydrophobicContact CE1-CG 3.89Å; F29-L33 HydrophobicContact CE2-CD1 4.37Å; F29-L33 HydrophobicContact CE2-CD2 4.28Å; F29-L33 HydrophobicContact CE2-CG 4.21Å; F29-L33 HydrophobicContact CZ-CD1 3.47Å; F29-L33 VanDerWaalsContact CZ-CD1 3.47Å; F29-L33 HydrophobicContact CZ-CD2 4.01Å; F29-L33 HydrophobicContact CZ-CG 3.77Å; F29-L33 PolarHBondContact O-N 3.19Å; F29-L33 VanDerWaalsContact O-N 3.07Å
30Y97.9Very high96Very high0 Ų058.3 Ų58.30%029%0.294CS..Hα-helixtrans-68.3-34.6177.6-70.6-18.6000113.6M1 I2 L26 L27 L28 Y32 L33 V34 E49 M68 P72M1-Y30 HydrophobicContact CB-CD1 4.27Å; M1-Y30 HydrophobicContact CB-CE1 3.91Å; M1-Y30 HydrophobicContact CE-CD1 3.57Å; M1-Y30 HydrophobicContact CE-CD2 3.64Å; M1-Y30 HydrophobicContact CE-CE1 4.07Å; M1-Y30 HydrophobicContact CE-CE2 4.09Å; M1-Y30 HydrophobicContact CE-CG 3.33Å; M1-Y30 HydrophobicContact SD-CD1 3.72Å; M1-Y30 HydrophobicContact SD-CE1 4.32Å; M1-Y30 HydrophobicContact SD-CG 4Å; I2-Y30 HydrophobicContact CB-CE1 4.46Å; I2-Y30 HydrophobicContact CD1-CE1 4.38Å; I2-Y30 HydrophobicContact CG1-CE1 4.31Å; L26-Y30 HydrophobicContact CB-CE2 4.49Å; L26-Y30 HydrophobicContact CD2-CE1 4.32Å; L26-Y30 HydrophobicContact CD2-CE2 4.45Å; L26-Y30 WeakPolarHBondContact O-CB 3.24Å; L26-Y30 PolarHBondContact O-N 2.78Å; L27-Y30 PolarHBondContact O-N 3.04Å; L28-Y30 VanDerWaalsContact C-N 3.33Å; Y30-Y32 VanDerWaalsContact C-N 3.29Å; Y30-Y32 PolarHBondContact O-N 2.88Å; Y30-L33 HydrophobicContact CD1-CD1 4.34Å; Y30-L33 PolarHBondContact O-N 3.35Å; Y30-V34 WeakPolarHBondContact O-CB 3.49Å; Y30-V34 VanDerWaalsContact O-CG2 3.31Å; Y30-V34 WeakPolarHBondContact O-CG2 3.28Å; Y30-V34 PolarHBondContact O-N 3.25Å; Y30-E49 WeakPolarHBondContact CE2-O 3.46Å; Y30-E49 PolarHBondContact OH-O 3.35Å; Y30-E49 VanDerWaalsContact OH-O 3.07Å; Y30-M68 HydrophobicContact CD2-CE 4.03Å; Y30-M68 HydrophobicContact CE2-CE 3.77Å; Y30-P72 HydrophobicContact CD2-CG 3.95Å; Y30-P72 HydrophobicContact CG-CG 4.27Å
31D97.9Very high96.4Very high10 Ų1058.2 Ų58.25%0.05329%0.293CS..Hα-helixtrans-59.8-42.9172.2-72.4-27.5000111.7L27 L28 V34 N35 R70 G73L27-D31 VanDerWaalsContact O-CG 3.28Å; L27-D31 PolarHBondContact O-N 2.85Å; L28-D31 PolarHBondContact O-N 2.83Å; D31-V34 PolarHBondContact O-N 3.1Å; D31-N35 WeakPolarHBondContact O-CB 3.49Å; D31-N35 PolarHBondContact O-N 2.8Å; D31-R70 IonicContact OD1-CZ 3.05Å; D31-R70 IonicContact OD1-NH1 2.73Å; D31-R70 PolarHBondContact OD1-NH1 2.87Å; D31-R70 IonicContact OD1-NH2 3.34Å; D31-R70 IonicContact OD2-CZ 3.56Å; D31-R70 IonicContact OD2-NH1 3.01Å; D31-R70 PolarHBondContact OD2-NH1 2.82Å; D31-R70 IonicContact OD2-NH2 3.71Å; D31-R70 PolarHBondContact OD2-NH2 2.78Å; D31-G73 PolarHBondContact OD1-N 3.26Å
32Y97.6Very high96.5Very high153 Ų15361.6 Ų61.660%0.631%0.306SS*.Hα-helixtrans-60.3-49.9175.5173.2-95.1000110.9L28 F29 Y30 V34 N35 V36L28-Y32 PolarHBondContact O-N 2.95Å; F29-Y32 WeakPolarHBondContact O-CB 3.5Å; F29-Y32 PolarHBondContact O-N 2.85Å; Y30-Y32 VanDerWaalsContact C-N 3.29Å; Y30-Y32 PolarHBondContact O-N 2.88Å; Y32-V34 PolarHBondContact O-N 2.86Å; Y32-N35 PolarHBondContact O-N 3.18Å; Y32-V36 HydrophobicContact CE1-CG2 4.03Å; Y32-V36 HydrophobicContact CE2-CG2 4.26Å; Y32-V36 WeakPolarHBondContact O-CG2 3.47Å; Y32-V36 PolarHBondContact O-N 3.06Å
33L97.7Very high96.6Very high44 Ų4466.8 Ų66.823%0.2333%0.333CS..Hα-helixtrans-60.7-45.5178.7-70.6-170000112.5M1 F29 Y30 N35 V36 I37M1-L33 HydrophobicContact SD-CB 4.04Å; M1-L33 HydrophobicContact SD-CD1 4.11Å; F29-L33 HydrophobicContact CD1-CD1 4.15Å; F29-L33 HydrophobicContact CD1-CG 4.47Å; F29-L33 HydrophobicContact CE1-CD1 3.3Å; F29-L33 HydrophobicContact CE1-CG 3.89Å; F29-L33 HydrophobicContact CE2-CD1 4.37Å; F29-L33 HydrophobicContact CE2-CD2 4.28Å; F29-L33 HydrophobicContact CE2-CG 4.21Å; F29-L33 HydrophobicContact CZ-CD1 3.47Å; F29-L33 VanDerWaalsContact CZ-CD1 3.47Å; F29-L33 HydrophobicContact CZ-CD2 4.01Å; F29-L33 HydrophobicContact CZ-CG 3.77Å; F29-L33 PolarHBondContact O-N 3.19Å; F29-L33 VanDerWaalsContact O-N 3.07Å; Y30-L33 HydrophobicContact CD1-CD1 4.34Å; Y30-L33 PolarHBondContact O-N 3.35Å; L33-N35 VanDerWaalsContact C-N 3.32Å; L33-N35 PolarHBondContact O-N 3.4Å; L33-V36 PolarHBondContact O-N 3.38Å; L33-I37 WeakPolarHBondContact O-CG1 3.29Å; L33-I37 PolarHBondContact O-N 2.83Å
34V98Very high96.7Very high8 Ų870.6 Ų70.65%0.04836%0.357CS..Hα-helixtrans-61.4-43.3178171.20000110.3M1 Y30 D31 Y32 V36 I37 R38 I46 P72M1-V34 HydrophobicContact CE-CG2 4.42Å; M1-V34 HydrophobicContact SD-CG2 4.11Å; Y30-V34 WeakPolarHBondContact O-CB 3.49Å; Y30-V34 VanDerWaalsContact O-CG2 3.31Å; Y30-V34 WeakPolarHBondContact O-CG2 3.28Å; Y30-V34 PolarHBondContact O-N 3.25Å; D31-V34 PolarHBondContact O-N 3.1Å; Y32-V34 PolarHBondContact O-N 2.86Å; V34-V36 VanDerWaalsContact C-N 3.3Å; V34-V36 PolarHBondContact O-N 2.94Å; V34-I37 PolarHBondContact O-N 3.28Å; V34-R38 HydrophobicContact CG1-CG 3.92Å; V34-R38 WeakPolarHBondContact O-CB 3.15Å; V34-R38 VanDerWaalsContact O-CG 3.25Å; V34-R38 WeakPolarHBondContact O-CG 3.38Å; V34-R38 PolarHBondContact O-N 2.89Å; V34-I46 HydrophobicContact CG2-CD1 4.46Å; V34-I46 HydrophobicContact CG2-CG1 4.16Å; V34-I46 HydrophobicContact CG2-CG2 3.84Å; V34-P72 HydrophobicContact CG2-CB 3.75Å
35N96.8Very high96.9Very high78 Ų7870.9 Ų70.942%0.41736%0.36SS..Hα-helixtrans-59.2-41.9176.5-175.648.5000112D31 Y32 L33 Q39D31-N35 WeakPolarHBondContact O-CB 3.49Å; D31-N35 PolarHBondContact O-N 2.8Å; Y32-N35 PolarHBondContact O-N 3.18Å; L33-N35 VanDerWaalsContact C-N 3.32Å; L33-N35 PolarHBondContact O-N 3.4Å; N35-Q39 WeakPolarHBondContact O-CG 3.47Å; N35-Q39 PolarHBondContact O-N 3Å
36V97.5Very high97.1Very high60 Ų6067.3 Ų67.336%0.36434%0.341SS..Hα-helixtrans-64.9-49.2175.7174.20000111.2Y32 L33 V34 R38 Q39Y32-V36 HydrophobicContact CE1-CG2 4.03Å; Y32-V36 HydrophobicContact CE2-CG2 4.26Å; Y32-V36 WeakPolarHBondContact O-CG2 3.47Å; Y32-V36 PolarHBondContact O-N 3.06Å; L33-V36 PolarHBondContact O-N 3.38Å; V34-V36 VanDerWaalsContact C-N 3.3Å; V34-V36 PolarHBondContact O-N 2.94Å; V36-R38 VanDerWaalsContact C-N 3.31Å; V36-R38 PolarHBondContact O-N 3.43Å; V36-Q39 WeakPolarHBondContact O-CB 3.41Å; V36-Q39 PolarHBondContact O-N 2.69Å; V36-Q39 VanDerWaalsContact O-N 3.11Å
37I97.8Very high97.2Very high61 Ų6169.6 Ų69.631%0.31335%0.351SS..Hα-helixtrans-59-44.7179-67.8163.4000110.5L33 V34 Q39 T40 D41 I46L33-I37 WeakPolarHBondContact O-CG1 3.29Å; L33-I37 PolarHBondContact O-N 2.83Å; V34-I37 PolarHBondContact O-N 3.28Å; I37-Q39 PolarHBondContact O-N 3.03Å; I37-Q39 VanDerWaalsContact O-N 3.15Å; I37-T40 PolarHBondContact O-N 3.42Å; I37-D41 HydrophobicContact CG2-CB 4.47Å; I37-D41 PolarHBondContact O-N 2.78Å; I37-I46 HydrophobicContact CD1-CD1 3.84Å; I37-I46 HydrophobicContact CG2-CD1 4.04Å
38R97Very high97.3Very high28 Ų2869.3 Ų69.311%0.10635%0.349CS..Hα-helixtrans-67.4-10.4-179.8-66.9-44.3-176.7-146-0.1113.9V34 V36 T40 D41 K42 T44V34-R38 HydrophobicContact CG1-CG 3.92Å; V34-R38 WeakPolarHBondContact O-CB 3.15Å; V34-R38 VanDerWaalsContact O-CG 3.25Å; V34-R38 WeakPolarHBondContact O-CG 3.38Å; V34-R38 PolarHBondContact O-N 2.89Å; V36-R38 VanDerWaalsContact C-N 3.31Å; V36-R38 PolarHBondContact O-N 3.43Å; R38-T40 VanDerWaalsContact C-N 3.25Å; R38-D41 WeakPolarHBondContact CA-O 3.45Å; R38-D41 WeakPolarHBondContact CD-O 3.29Å; R38-D41 PolarHBondContact NH1-O 2.77Å; R38-D41 VanDerWaalsContact NH1-O 3.09Å; R38-K42 VanDerWaalsContact O-CD 3.23Å; R38-K42 WeakPolarHBondContact O-CD 3.39Å; R38-K42 WeakPolarHBondContact O-CE 3.48Å; R38-K42 PolarHBondContact O-NZ 2.85Å; R38-T44 VanDerWaalsContact CZ-O 3.23Å; R38-T44 PolarHBondContact NH1-O 2.87Å; R38-T44 PolarHBondContact NH2-O 2.84Å
39Q97.1Very high97.4Very high136 Ų13664.7 Ų64.764%0.63632%0.324SS*.Hα-helixtrans-69.5-28.4169.5-70.7170.81900111.9N35 V36 I37N35-Q39 WeakPolarHBondContact O-CG 3.47Å; N35-Q39 PolarHBondContact O-N 3Å; V36-Q39 WeakPolarHBondContact O-CB 3.41Å; V36-Q39 PolarHBondContact O-N 2.69Å; V36-Q39 VanDerWaalsContact O-N 3.11Å; I37-Q39 PolarHBondContact O-N 3.03Å; I37-Q39 VanDerWaalsContact O-N 3.15Å
40T97.5Very high97.4Very high135 Ų13560.7 Ų60.783%0.82831%0.307SS*.Hα-helixtrans-113.2-32.3-173.7-31.70000112.7I37 R38I37-T40 PolarHBondContact O-N 3.42Å; R38-T40 VanDerWaalsContact C-N 3.25Å
41D97.4Very high97.2Very high58 Ų5860.8 Ų60.831%0.3131%0.308SS..  trans-133.6111.4-177.5-178-20.1000111.1I37 R38 D43 T44I37-D41 HydrophobicContact CG2-CB 4.47Å; I37-D41 PolarHBondContact O-N 2.78Å; R38-D41 WeakPolarHBondContact CA-O 3.45Å; R38-D41 WeakPolarHBondContact CD-O 3.29Å; R38-D41 PolarHBondContact NH1-O 2.77Å; R38-D41 VanDerWaalsContact NH1-O 3.09Å; D41-D43 PolarHBondContact OD1-N 2.88Å; D41-T44 VanDerWaalsContact CG-OG1 3.31Å; D41-T44 PolarHBondContact OD1-N 2.72Å; D41-T44 PolarHBondContact OD1-OG1 2.89Å; D41-T44 WeakPolarHBondContact OD2-CB 3.23Å; D41-T44 PolarHBondContact OD2-OG1 2.88Å
42K95Very high97Very high126 Ų12662.7 Ų62.755%0.54832%0.32SS..SBendtrans-83.1-20.5-176.1-61.4-61.7-178.9-177.70113.9R38 K83R38-K42 VanDerWaalsContact O-CD 3.23Å; R38-K42 WeakPolarHBondContact O-CD 3.39Å; R38-K42 WeakPolarHBondContact O-CE 3.48Å; R38-K42 PolarHBondContact O-NZ 2.85Å; K42-K83 PolarHBondContact O-NZ 3.09Å
43D95.7Very high96.7Very high112 Ų11258.3 Ų58.360%0.59930%0.303SS*.SBendtrans-121.8-27.7-157.8-66.3-45.6000114.6D41 L45 K83D41-D43 PolarHBondContact OD1-N 2.88Å; D43-L45 PolarHBondContact O-N 2.94Å; D43-K83 IonicContact OD1-NZ 2.71Å; D43-K83 PolarHBondContact OD1-NZ 3.16Å
44T97.4Very high96.6Very high80 Ų8056.2 Ų56.249%0.49129%0.292SS..SBendtrans-57.9136.5-179-65.50000111.9R38 D41R38-T44 VanDerWaalsContact CZ-O 3.23Å; R38-T44 PolarHBondContact NH1-O 2.87Å; R38-T44 PolarHBondContact NH2-O 2.84Å; D41-T44 VanDerWaalsContact CG-OG1 3.31Å; D41-T44 PolarHBondContact OD1-N 2.72Å; D41-T44 PolarHBondContact OD1-OG1 2.89Å; D41-T44 WeakPolarHBondContact OD2-CB 3.23Å; D41-T44 PolarHBondContact OD2-OG1 2.88Å
45L98Very high96.4Very high88 Ų8855.9 Ų55.946%0.46129%0.29SS..  trans-61.8135.9176.3-61.9-179.5000111D43 F47 K83 V85D43-L45 PolarHBondContact O-N 2.94Å; L45-F47 HydrophobicContact CB-CD2 4.21Å; L45-F47 HydrophobicContact CB-CE2 3.89Å; L45-F47 HydrophobicContact CD1-CE2 4.26Å; L45-K83 CarbonylContact C-O 3.55Å; L45-K83 WeakPolarHBondContact CA-O 3.17Å; L45-V85 HydrophobicContact CB-CG2 4.29Å; L45-V85 HydrophobicContact CD1-CG2 4.15Å
46I98.3Very high96.3Very high9 Ų953.8 Ų53.85%0.04628%0.276CS..EExtended strand (participates in β ladder)trans-97.2109.4174.5-62.8-66.3000108.8M1 V34 I37 K83 S84 V85M1-I46 HydrophobicContact CE-CG2 3.54Å; M1-I46 HydrophobicContact CG-CG2 4.04Å; M1-I46 HydrophobicContact SD-CG2 3.88Å; V34-I46 HydrophobicContact CG2-CD1 4.46Å; V34-I46 HydrophobicContact CG2-CG1 4.16Å; V34-I46 HydrophobicContact CG2-CG2 3.84Å; I37-I46 HydrophobicContact CD1-CD1 3.84Å; I37-I46 HydrophobicContact CG2-CD1 4.04Å; I46-K83 PolarHBondContact N-O 2.92Å; I46-S84 CarbonylContact O-C 3.59Å; I46-S84 WeakPolarHBondContact O-CA 3.41Å; I46-V85 PolarHBondContact O-N 3.41Å
47F98.6Very high96.1Very high68 Ų6855.7 Ų55.730%0.29828%0.28SS..EExtended strand (participates in β ladder)trans-83.9126.4169.8-76.9-121.6000108.7M1 L45 V85 F136 T138M1-F47 WeakPolarHBondContact CB-O 3.4Å; M1-F47 PolarHBondContact N-O 2.87Å; L45-F47 HydrophobicContact CB-CD2 4.21Å; L45-F47 HydrophobicContact CB-CE2 3.89Å; L45-F47 HydrophobicContact CD1-CE2 4.26Å; F47-V85 WeakPolarHBondContact CA-O 3.43Å; F47-V85 HydrophobicContact CD1-CB 4.19Å; F47-V85 HydrophobicContact CD1-CG1 3.98Å; F47-V85 HydrophobicContact CD2-CB 3.94Å; F47-V85 HydrophobicContact CD2-CG2 4.12Å; F47-V85 HydrophobicContact CE1-CB 4.2Å; F47-V85 HydrophobicContact CE1-CG1 3.73Å; F47-V85 HydrophobicContact CE2-CB 3.94Å; F47-V85 HydrophobicContact CE2-CG1 4.28Å; F47-V85 HydrophobicContact CE2-CG2 3.74Å; F47-V85 HydrophobicContact CG-CB 4.05Å; F47-V85 HydrophobicContact CG-CG1 4.36Å; F47-V85 HydrophobicContact CZ-CB 4.07Å; F47-V85 HydrophobicContact CZ-CG1 3.88Å; F47-V85 HydrophobicContact CZ-CG2 4.03Å; F47-F136 HydrophobicContact CD1-CB 4.37Å; F47-F136 HydrophobicContact CE1-CB 3.67Å; F47-F136 HydrophobicContact CE1-CD1 4.22Å; F47-F136 AromaticContact CE1-CD2 3.87Å; F47-F136 HydrophobicContact CE1-CD2 3.87Å; F47-F136 AromaticContact CE1-CG 3.67Å; F47-F136 HydrophobicContact CE1-CG 3.67Å; F47-F136 HydrophobicContact CZ-CB 4.46Å; F47-F136 HydrophobicContact CZ-CD2 4.13Å; F47-F136 HydrophobicContact CZ-CG 4.37Å; F47-T138 HydrophobicContact CD1-CG2 4.08Å; F47-T138 HydrophobicContact CE1-CG2 4.42Å
48Y98.2Very high95.9Very high2 Ų255.9 Ų55.91%0.00829%0.285CS..EExtended strand (participates in β ladder)trans-135.8141.9-177.973.6-86.9000111.1M1 M68 V71 P72 V85 L86 S87M1-Y48 HydrophobicContact CE-CG 4.39Å; Y48-M68 HydrophobicContact CD2-SD 3.83Å; Y48-M68 HydrophobicContact CE2-SD 3.8Å; Y48-V71 HydrophobicContact CE1-CB 4.46Å; Y48-V71 HydrophobicContact CE1-CG1 4.3Å; Y48-P72 HydrophobicContact CD1-CG 4.09Å; Y48-P72 HydrophobicContact CD2-CG 3.98Å; Y48-P72 HydrophobicContact CE2-CG 4.48Å; Y48-P72 HydrophobicContact CG-CG 3.77Å; Y48-V85 WeakPolarHBondContact CD1-O 3.23Å; Y48-V85 PolarHBondContact N-O 3.48Å; Y48-L86 HydrophobicContact CD2-CD1 4.28Å; Y48-L86 HydrophobicContact CE1-CB 4.36Å; Y48-L86 HydrophobicContact CE2-CB 4.49Å; Y48-L86 HydrophobicContact CE2-CD1 3.79Å; Y48-S87 PolarHBondContact N-OG 2.8Å; Y48-S87 PolarHBondContact O-N 2.85Å; Y48-S87 PolarHBondContact O-OG 2.84Å
49E97.8Very high95.7Very high14 Ų1457.8 Ų57.87%0.06529%0.294CS..EExtended strand (participates in β ladder)trans-114.5145.9-178.8-63.8-178.2-150.400110.6E4 P5 Y30 M68 S87 H89E4-E49 PolarHBondContact N-OE2 3.05Å; P5-E49 HydrophobicContact CG-CB 4.29Å; Y30-E49 WeakPolarHBondContact CE2-O 3.46Å; Y30-E49 PolarHBondContact OH-O 3.35Å; Y30-E49 VanDerWaalsContact OH-O 3.07Å; E49-M68 WeakPolarHBondContact O-CE 3.4Å; E49-S87 WeakPolarHBondContact CG-O 3.46Å; E49-S87 WeakPolarHBondContact CG-OG 3.05Å; E49-H89 IonicContact OE1-NE2 2.93Å; E49-H89 IonicContact OE2-CE1 3.25Å; E49-H89 IonicContact OE2-NE2 3.87Å
50S95.8Very high95.4Very high5 Ų555.5 Ų55.54%0.03529%0.29CS..  trans-77176.8161.665.90000110.4P5 T52P5-S50 WeakPolarHBondContact CD-O 3.32Å; P5-S50 VanDerWaalsContact CG-O 3.25Å; P5-S50 WeakPolarHBondContact CG-O 3.41Å; S50-T52 PolarHBondContact O-N 3.17Å
51V95.1Very high95Very high1 Ų156.9 Ų56.91%0.00629%0.292CS..  trans-49.1138.1155.8-70.60000109.5P7 A22 L26 Y53 G54P7-V51 HydrophobicContact CB-CG1 4.05Å; A22-V51 HydrophobicContact CB-CG1 3.67Å; A22-V51 HydrophobicContact CB-CG2 4.31Å; L26-V51 HydrophobicContact CD1-CG1 3.71Å; V51-Y53 VanDerWaalsContact C-N 3.26Å; V51-Y53 HydrophobicContact CB-CE1 4.06Å; V51-Y53 HydrophobicContact CB-CE2 4.38Å; V51-Y53 HydrophobicContact CG2-CD2 4.11Å; V51-Y53 HydrophobicContact CG2-CE1 4.19Å; V51-Y53 HydrophobicContact CG2-CE2 3.6Å; V51-Y53 PolarHBondContact O-N 3.39Å; V51-Y53 VanDerWaalsContact O-N 3.14Å; V51-G54 PolarHBondContact O-N 3.01Å
52T92.7Very high94.6Very high51 Ų5156.8 Ų56.831%0.31331%0.305SS..G310 helixtrans-53.8-41.8-167.8-48.50000112.8S50 G54S50-T52 PolarHBondContact O-N 3.17Å; T52-G54 VanDerWaalsContact C-N 3.26Å; T52-G54 PolarHBondContact O-N 2.72Å
53Y92.3Very high94.4Very high60 Ų6052.6 Ų52.624%0.23529%0.288CS..G310 helixtrans-72.2-16.3-179.858.2-103.1000113.9P7 L17 P19 V51 I55 Y56 F57P7-Y53 HydrophobicContact CG-CE1 4.44Å; L17-Y53 WeakPolarHBondContact CA-OH 3.49Å; L17-Y53 PolarHBondContact O-OH 2.65Å; P19-Y53 HydrophobicContact CG-CE2 4.19Å; V51-Y53 VanDerWaalsContact C-N 3.26Å; V51-Y53 HydrophobicContact CB-CE1 4.06Å; V51-Y53 HydrophobicContact CB-CE2 4.38Å; V51-Y53 HydrophobicContact CG2-CD2 4.11Å; V51-Y53 HydrophobicContact CG2-CE1 4.19Å; V51-Y53 HydrophobicContact CG2-CE2 3.6Å; V51-Y53 PolarHBondContact O-N 3.39Å; V51-Y53 VanDerWaalsContact O-N 3.14Å; Y53-I55 VanDerWaalsContact C-N 3.28Å; Y53-I55 PolarHBondContact O-N 3.44Å; Y53-Y56 WeakPolarHBondContact O-CB 3.41Å; Y53-Y56 PolarHBondContact O-N 3.01Å; Y53-F57 AromaticContact CD2-CD2 3.77Å; Y53-F57 HydrophobicContact CD2-CD2 3.77Å; Y53-F57 AromaticContact CD2-CE2 3.52Å; Y53-F57 HydrophobicContact CD2-CE2 3.52Å; Y53-F57 HydrophobicContact CE2-CE2 4.32Å; Y53-F57 HydrophobicContact CG-CE2 4.18Å; Y53-F57 WeakPolarHBondContact O-CD2 3.47Å
54G94.1Very high94.4Very high0 Ų047.4 Ų47.40%026%0.261CS..G310 helixtrans-60.3-34.4-169.900000113.8V51 T52 Y56 F57 G65 T66V51-G54 PolarHBondContact O-N 3.01Å; T52-G54 VanDerWaalsContact C-N 3.26Å; T52-G54 PolarHBondContact O-N 2.72Å; G54-Y56 PolarHBondContact O-N 2.71Å; G54-F57 PolarHBondContact O-N 2.92Å; G54-F57 VanDerWaalsContact O-N 3.15Å; G54-G65 CarbonylContact C-O 3.51Å; G54-G65 VanDerWaalsContact CA-O 3.27Å; G54-G65 WeakPolarHBondContact CA-O 3.41Å; G54-G65 CarbonylContact O-C 2.86Å; G54-G65 WeakPolarHBondContact O-CA 3.5Å; G54-G65 VanDerWaalsContact O-O 3.04Å; G54-T66 PolarHBondContact O-N 2.95Å
55I94.9Very high94.2Very high2 Ų243.8 Ų43.81%0.0124%0.239CC..G310 helixtrans-68.2-14.9176.657.2118000113.9Y53 T66 Y88 H89 T120 N123 V124 I127Y53-I55 VanDerWaalsContact C-N 3.28Å; Y53-I55 PolarHBondContact O-N 3.44Å; I55-T66 HydrophobicContact CG2-CG2 4.21Å; I55-Y88 HydrophobicContact CD1-CD2 4.18Å; I55-H89 VanDerWaalsContact CD1-O 3.27Å; I55-H89 WeakPolarHBondContact CD1-O 3.11Å; I55-T120 HydrophobicContact CD1-CG2 3.41Å; I55-T120 VanDerWaalsContact CD1-CG2 3.41Å; I55-N123 PolarHBondContact O-ND2 3.15Å; I55-V124 HydrophobicContact CB-CG2 4.16Å; I55-V124 HydrophobicContact CG2-CG2 4.04Å; I55-I127 HydrophobicContact CG2-CD1 4.48Å
56Y94.2Very high94.1Very high33 Ų3339.7 Ų39.713%0.12922%0.218CC..G310 helixtrans-91.9-10.7174.8-58.6-78.6000113.1Y53 G54 Y90 Y91 W93 L116 Y119 T120Y53-Y56 WeakPolarHBondContact O-CB 3.41Å; Y53-Y56 PolarHBondContact O-N 3.01Å; G54-Y56 PolarHBondContact O-N 2.71Å; Y56-Y90 HydrophobicContact CE1-CD2 4.37Å; Y56-Y91 PolarHBondContact OH-N 3.4Å; Y56-Y91 PolarHBondContact OH-O 3.1Å; Y56-W93 HydrophobicContact CG-CZ3 4.43Å; Y56-L116 HydrophobicContact CD1-CD1 3.56Å; Y56-L116 HydrophobicContact CD1-CG 4.36Å; Y56-L116 HydrophobicContact CE1-CD1 3.65Å; Y56-L116 HydrophobicContact CE1-CD2 4.37Å; Y56-L116 HydrophobicContact CE1-CG 3.97Å; Y56-Y119 WeakPolarHBondContact O-CE1 3.48Å; Y56-Y119 PolarHBondContact O-OH 3.15Å; Y56-T120 WeakPolarHBondContact CD1-OG1 3.33Å; Y56-T120 VanDerWaalsContact CE1-OG1 3.24Å; Y56-T120 WeakPolarHBondContact CE1-OG1 3.43Å
57F93.1Very high93.9Very high100 Ų10039.2 Ų39.244%0.43922%0.215SC..SBendtrans-90.4144.8178.4-79.3-88.9000112.3P19 Y53 G54 G65 Y119 N123P19-F57 HydrophobicContact CG-CB 4.35Å; P19-F57 HydrophobicContact CG-CD2 4.29Å; P19-F57 HydrophobicContact CG-CG 4.15Å; Y53-F57 AromaticContact CD2-CD2 3.77Å; Y53-F57 HydrophobicContact CD2-CD2 3.77Å; Y53-F57 AromaticContact CD2-CE2 3.52Å; Y53-F57 HydrophobicContact CD2-CE2 3.52Å; Y53-F57 HydrophobicContact CE2-CE2 4.32Å; Y53-F57 HydrophobicContact CG-CE2 4.18Å; Y53-F57 WeakPolarHBondContact O-CD2 3.47Å; G54-F57 PolarHBondContact O-N 2.92Å; G54-F57 VanDerWaalsContact O-N 3.15Å; F57-G65 WeakPolarHBondContact O-CA 3.5Å; F57-Y119 VanDerWaalsContact C-OH 3.27Å; F57-N123 PolarHBondContact O-ND2 3.16Å
58P92.9Very high93.8Very high66 Ų6636 Ų3643%0.42920%0.201SC..PPolyproline II helixtrans-75.5171.9178.932.8-36.3000111.1G65 Y119P58-G65 WeakPolarHBondContact O-CA 3.4Å; P58-G65 PolarHBondContact O-N 2.99Å; P58-Y119 VanDerWaalsContact CA-OH 3.25Å; P58-Y119 WeakPolarHBondContact CA-OH 3.49Å
59F93.2Very high93.6Very high67 Ų6740.7 Ų40.729%0.29422%0.223SC..PPolyproline II helixtrans-67.8135.8166.6-77.5-115.4000110.6I63 P64 I127F59-I63 CarbonylContact C-O 3.56Å; F59-I63 WeakPolarHBondContact CA-O 3.17Å; F59-P64 HydrophobicContact CD1-CB 4.19Å; F59-P64 HydrophobicContact CD1-CG 4.21Å; F59-P64 HydrophobicContact CE1-CB 3.71Å; F59-P64 HydrophobicContact CE1-CG 3.53Å; F59-P64 HydrophobicContact CE2-CB 4.05Å; F59-P64 HydrophobicContact CZ-CB 3.63Å; F59-P64 HydrophobicContact CZ-CG 3.83Å; F59-I127 HydrophobicContact CE2-CG1 3.99Å; F59-I127 HydrophobicContact CZ-CG1 4.2Å
60V90.7Very high93.5Very high89 Ų8941.8 Ų41.854%0.53923%0.227SC..BIsolated β-bridgetrans-126.9119.9174.2-178.10000108.1G62 I63V60-G62 PolarHBondContact O-N 2.87Å; V60-I63 PolarHBondContact N-O 3.19Å; V60-I63 WeakPolarHBondContact O-CB 3.27Å; V60-I63 PolarHBondContact O-N 2.97Å
61N89.7Confident93.6Very high163 Ų16341.6 Ų41.687%0.87223%0.225SC*.THydrogen-bonded Turntrans52.540-176.8-58.6-30.4000113.4I63N61-I63 PolarHBondContact O-N 3.02Å
62G89.3Confident93.8Very high57 Ų5741.5 Ų41.559%0.58823%0.225SC*.THydrogen-bonded Turntrans77.4-3.1-178.700000115V60V60-G62 PolarHBondContact O-N 2.87Å
63I91Very high94Very high38 Ų3839.2 Ų39.220%0.19521%0.211CC..BIsolated β-bridgetrans-88.7127.4176.1-56.7177.5000108.4F59 V60 N61 Q69F59-I63 CarbonylContact C-O 3.56Å; F59-I63 WeakPolarHBondContact CA-O 3.17Å; V60-I63 PolarHBondContact N-O 3.19Å; V60-I63 WeakPolarHBondContact O-CB 3.27Å; V60-I63 PolarHBondContact O-N 2.97Å; N61-I63 PolarHBondContact O-N 3.02Å; I63-Q69 HydrophobicContact CG1-CG 4.39Å; I63-Q69 HydrophobicContact CG2-CG 4.05Å
64P94.6Very high94.2Very high3 Ų337.8 Ų37.82%0.01921%0.207CC..  trans-63.5155.7178.3-13.925.5000112F59 T66 G67 M68 I127 T131F59-P64 HydrophobicContact CD1-CB 4.19Å; F59-P64 HydrophobicContact CD1-CG 4.21Å; F59-P64 HydrophobicContact CE1-CB 3.71Å; F59-P64 HydrophobicContact CE1-CG 3.53Å; F59-P64 HydrophobicContact CE2-CB 4.05Å; F59-P64 HydrophobicContact CZ-CB 3.63Å; F59-P64 HydrophobicContact CZ-CG 3.83Å; P64-T66 PolarHBondContact O-N 2.83Å; P64-G67 WeakPolarHBondContact O-CA 3.31Å; P64-G67 PolarHBondContact O-N 3.09Å; P64-M68 WeakPolarHBondContact CG-O 3.14Å; P64-I127 HydrophobicContact CB-CG1 3.84Å; P64-I127 HydrophobicContact CB-CG2 4.31Å; P64-T131 HydrophobicContact CG-CG2 4.44Å
65G93.5Very high94.3Very high4 Ų443.4 Ų43.44%0.04124%0.237CC..THydrogen-bonded Turntrans-59.8-14.3177.800000114.6P19 G54 F57 P58 G67P19-G65 WeakPolarHBondContact CB-O 3.43Å; P19-G65 WeakPolarHBondContact CG-O 3.24Å; G54-G65 CarbonylContact C-O 3.51Å; G54-G65 VanDerWaalsContact CA-O 3.27Å; G54-G65 WeakPolarHBondContact CA-O 3.41Å; G54-G65 CarbonylContact O-C 2.86Å; G54-G65 WeakPolarHBondContact O-CA 3.5Å; G54-G65 VanDerWaalsContact O-O 3.04Å; F57-G65 WeakPolarHBondContact O-CA 3.5Å; P58-G65 WeakPolarHBondContact O-CA 3.4Å; P58-G65 PolarHBondContact O-N 2.99Å; G65-G67 VanDerWaalsContact C-N 3.3Å
66T96Very high94.3Very high1 Ų148.9 Ų48.91%0.00626%0.263CS..THydrogen-bonded Turntrans-77.2-15.1171.260.50000113.4G23 G54 I55 P64 M68 I127G23-T66 VanDerWaalsContact CA-O 3.24Å; G23-T66 WeakPolarHBondContact CA-O 3.47Å; G54-T66 PolarHBondContact O-N 2.95Å; I55-T66 HydrophobicContact CG2-CG2 4.21Å; P64-T66 PolarHBondContact O-N 2.83Å; T66-M68 PolarHBondContact O-N 2.98Å; T66-M68 PolarHBondContact OG1-N 3.46Å; T66-I127 HydrophobicContact CG2-CD1 3.69Å; T66-I127 HydrophobicContact CG2-CG1 4.37Å; T66-I127 HydrophobicContact CG2-CG2 4.32Å
67G95.4Very high94.3Very high0 Ų050.4 Ų50.40%027%0.273CS..SBendtrans70.8-5.8-168.400000115.3P19 P64 G65P19-G67 VanDerWaalsContact O-CA 3.3Å; P19-G67 WeakPolarHBondContact O-CA 3.26Å; P64-G67 WeakPolarHBondContact O-CA 3.31Å; P64-G67 PolarHBondContact O-N 3.09Å; G65-G67 VanDerWaalsContact C-N 3.3Å
68M95.3Very high94.4Very high1 Ų153.9 Ų53.91%0.00529%0.29CS..  trans-89.5111.3-178.7-63.1-179.9175.900109.8L26 L27 Y30 Y48 E49 P64 T66 R70 T131L26-M68 HydrophobicContact CB-CE 3.5Å; L26-M68 VanDerWaalsContact CB-CE 3.5Å; L26-M68 HydrophobicContact CD1-CE 4.23Å; L26-M68 HydrophobicContact CG-CE 4.45Å; L27-M68 HydrophobicContact CB-CG 4.4Å; Y30-M68 HydrophobicContact CD2-CE 4.03Å; Y30-M68 HydrophobicContact CE2-CE 3.77Å; Y48-M68 HydrophobicContact CD2-SD 3.83Å; Y48-M68 HydrophobicContact CE2-SD 3.8Å; E49-M68 WeakPolarHBondContact O-CE 3.4Å; P64-M68 WeakPolarHBondContact CG-O 3.14Å; T66-M68 PolarHBondContact O-N 2.98Å; T66-M68 PolarHBondContact OG1-N 3.46Å; M68-R70 VanDerWaalsContact C-N 3.33Å; M68-T131 WeakPolarHBondContact O-CG2 3.49Å
69Q94.7Very high94.5Very high100 Ų10054.7 Ų54.747%0.46729%0.29SS..  trans-87-4.2-176.4-63.8174.150.600113.6I63I63-Q69 HydrophobicContact CG1-CG 4.39Å; I63-Q69 HydrophobicContact CG2-CG 4.05Å
70R96.1Very high94.7Very high37 Ų3751.9 Ų51.914%0.1428%0.279CS..SBendtrans-157.1166.2179.554.9177.9176.378.32.8110.1L27 D31 M68 L74 L75L27-R70 HydrophobicContact CD1-CG 4.4Å; L27-R70 WeakPolarHBondContact CD1-O 3.14Å; L27-R70 HydrophobicContact CD2-CG 3.67Å; D31-R70 IonicContact OD1-CZ 3.05Å; D31-R70 IonicContact OD1-NH1 2.73Å; D31-R70 PolarHBondContact OD1-NH1 2.87Å; D31-R70 IonicContact OD1-NH2 3.34Å; D31-R70 IonicContact OD2-CZ 3.56Å; D31-R70 IonicContact OD2-NH1 3.01Å; D31-R70 PolarHBondContact OD2-NH1 2.82Å; D31-R70 IonicContact OD2-NH2 3.71Å; D31-R70 PolarHBondContact OD2-NH2 2.78Å; M68-R70 VanDerWaalsContact C-N 3.33Å; R70-L74 HydrophobicContact CB-CB 4.4Å; R70-L74 HydrophobicContact CB-CD2 3.65Å; R70-L75 VanDerWaalsContact CZ-CG 3.49Å
71V97.6Very high95Very high0 Ų053.6 Ų53.60%028%0.275CS..  trans-68.9150.4167.9-57.50000111.1Y48 L74 A80 R81 G132Y48-V71 HydrophobicContact CE1-CB 4.46Å; Y48-V71 HydrophobicContact CE1-CG1 4.3Å; V71-L74 HydrophobicContact CG2-CB 3.92Å; V71-L74 HydrophobicContact CG2-CD1 4.48Å; V71-L74 WeakPolarHBondContact O-CB 3.41Å; V71-L74 PolarHBondContact O-N 3.01Å; V71-A80 HydrophobicContact CG2-CB 3.98Å; V71-R81 HydrophobicContact CG2-CG 3.85Å; V71-G132 WeakPolarHBondContact CG1-O 3.35Å
72P97.8Very high95.3Very high0 Ų053.1 Ų53.10%027%0.266CS..THydrogen-bonded Turntrans-56.5140169.7-28.538.1000113.1M1 L27 Y30 V34 Y48 L74M1-P72 HydrophobicContact CE-CB 4.18Å; M1-P72 HydrophobicContact CE-CG 3.92Å; L27-P72 HydrophobicContact CD1-CG 4.07Å; Y30-P72 HydrophobicContact CD2-CG 3.95Å; Y30-P72 HydrophobicContact CG-CG 4.27Å; V34-P72 HydrophobicContact CG2-CB 3.75Å; Y48-P72 HydrophobicContact CD1-CG 4.09Å; Y48-P72 HydrophobicContact CD2-CG 3.98Å; Y48-P72 HydrophobicContact CE2-CG 4.48Å; Y48-P72 HydrophobicContact CG-CG 3.77Å; P72-L74 VanDerWaalsContact C-N 3.28Å; P72-L74 PolarHBondContact O-N 3.02Å
73G97.2Very high95.6Very high3 Ų352.3 Ų52.33%0.03125%0.246CC..THydrogen-bonded Turntrans81-4.917900000115.4D31 L75 Q76 D77D31-G73 PolarHBondContact OD1-N 3.26Å; G73-L75 PolarHBondContact O-N 3.36Å; G73-Q76 PolarHBondContact O-N 3.06Å; G73-Q76 PolarHBondContact O-OE1 2.81Å; G73-D77 PolarHBondContact O-N 3.39Å
74L97.2Very high96Very high29 Ų2950.6 Ų50.615%0.15224%0.238CC..THydrogen-bonded Turntrans-60.9-28.4-176.8-175.462.6000113.7R70 V71 P72 Q76 R81R70-L74 HydrophobicContact CB-CB 4.4Å; R70-L74 HydrophobicContact CB-CD2 3.65Å; V71-L74 HydrophobicContact CG2-CB 3.92Å; V71-L74 HydrophobicContact CG2-CD1 4.48Å; V71-L74 WeakPolarHBondContact O-CB 3.41Å; V71-L74 PolarHBondContact O-N 3.01Å; P72-L74 VanDerWaalsContact C-N 3.28Å; P72-L74 PolarHBondContact O-N 3.02Å; L74-Q76 PolarHBondContact O-N 2.87Å; L74-R81 HydrophobicContact CD1-CG 3.96Å
75L95.5Very high96.2Very high118 Ų11851 Ų5162%0.61824%0.24SC*.THydrogen-bonded Turntrans-70-19.6179.3-64.1-178.6000112.9R70 G73R70-L75 VanDerWaalsContact CZ-CG 3.49Å; G73-L75 PolarHBondContact O-N 3.36Å
76Q94.9Very high96.4Very high118 Ų11850.9 Ų50.955%0.55124%0.238SC*.THydrogen-bonded Turntrans-107.7-29.7-178.1-64.877.421.100112.2G73 L74G73-Q76 PolarHBondContact O-N 3.06Å; G73-Q76 PolarHBondContact O-OE1 2.81Å; L74-Q76 PolarHBondContact O-N 2.87Å
77D95.1Very high96.5Very high64 Ų6450.9 Ų50.934%0.34224%0.238SC..  trans-142.6114.8-178.6-178.77.4000111.2G73 M79 A80G73-D77 PolarHBondContact O-N 3.39Å; D77-M79 PolarHBondContact O-N 3.43Å; D77-M79 VanDerWaalsContact OD1-CB 3.29Å; D77-M79 WeakPolarHBondContact OD1-CB 3.36Å; D77-M79 PolarHBondContact OD1-N 2.79Å; D77-A80 WeakPolarHBondContact O-CB 3.48Å; D77-A80 PolarHBondContact O-N 2.66Å
78E94Very high96.6Very high173 Ų17351.1 Ų51.181%0.80824%0.239SC*.G310 helixtrans-60.8-25.4176.3-66.4-168.116500112.9A80E78-A80 PolarHBondContact O-N 3.29Å
79M95.4Very high96.7Very high84 Ų8451.4 Ų51.441%0.41424%0.241SC..G310 helixtrans-76.3-6.5177.5-65.4-70.5-75.500113D77 R81 K82D77-M79 PolarHBondContact O-N 3.43Å; D77-M79 VanDerWaalsContact OD1-CB 3.29Å; D77-M79 WeakPolarHBondContact OD1-CB 3.36Å; D77-M79 PolarHBondContact OD1-N 2.79Å; M79-R81 PolarHBondContact O-N 3.06Å; M79-R81 VanDerWaalsContact O-N 3.16Å; M79-K82 HydrophobicContact CE-CD 3.62Å; M79-K82 PolarHBondContact O-N 3.32Å; M79-K82 HydrophobicContact SD-CD 3.89Å
80A97.3Very high96.8Very high8 Ų846.7 Ų46.77%0.06622%0.218CC..G310 helixtrans-52.3-38.2174.800000111.9V71 D77 E78 K82 K83 S84V71-A80 HydrophobicContact CG2-CB 3.98Å; D77-A80 WeakPolarHBondContact O-CB 3.48Å; D77-A80 PolarHBondContact O-N 2.66Å; E78-A80 PolarHBondContact O-N 3.29Å; A80-K82 PolarHBondContact O-N 2.91Å; A80-K82 VanDerWaalsContact O-N 3.1Å; A80-K83 CarbonylContact O-C 3.53Å; A80-K83 WeakPolarHBondContact O-CA 3.2Å; A80-K83 PolarHBondContact O-N 3.27Å; A80-S84 WeakPolarHBondContact O-CB 3.13Å; A80-S84 PolarHBondContact O-N 3.16Å; A80-S84 PolarHBondContact O-OG 3.42Å
81R96.6Very high96.8Very high124 Ų12447 Ų4747%0.46822%0.22SC..G310 helixtrans-57.7-26.6176.3-76.4178.3176.3160.32.2114.4V71 L74 M79 K83 T131 G133V71-R81 HydrophobicContact CG2-CG 3.85Å; L74-R81 HydrophobicContact CD1-CG 3.96Å; M79-R81 PolarHBondContact O-N 3.06Å; M79-R81 VanDerWaalsContact O-N 3.16Å; R81-K83 VanDerWaalsContact C-N 3.34Å; R81-T131 PolarHBondContact NE-O 3.21Å; R81-G133 WeakPolarHBondContact O-CA 3.29Å; R81-G133 PolarHBondContact O-N 3.5Å
82K96.3Very high96.7Very high154 Ų15447.1 Ų47.167%0.6722%0.221SC*.G310 helixtrans-87.5-8.5177.1-61.1-175.2-173.7168.90112.8M79 A80M79-K82 HydrophobicContact CE-CD 3.62Å; M79-K82 PolarHBondContact O-N 3.32Å; M79-K82 HydrophobicContact SD-CD 3.89Å; A80-K82 PolarHBondContact O-N 2.91Å; A80-K82 VanDerWaalsContact O-N 3.1Å
83K97Very high96.4Very high39 Ų3954.2 Ų54.217%0.1725%0.248CC..SBendtrans-127.114.7-172.5-59.4-178.3173.2-178.70112.8K42 D43 L45 I46 A80 R81K42-K83 PolarHBondContact O-NZ 3.09Å; D43-K83 IonicContact OD1-NZ 2.71Å; D43-K83 PolarHBondContact OD1-NZ 3.16Å; L45-K83 CarbonylContact C-O 3.55Å; L45-K83 WeakPolarHBondContact CA-O 3.17Å; I46-K83 PolarHBondContact N-O 2.92Å; A80-K83 CarbonylContact O-C 3.53Å; A80-K83 WeakPolarHBondContact O-CA 3.2Å; A80-K83 PolarHBondContact O-N 3.27Å; R81-K83 VanDerWaalsContact C-N 3.34Å
84S98.1Very high96.2Very high3 Ų356.5 Ų56.52%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-120.4138.8179.7-64.70000110I46 A80 G133 G134I46-S84 CarbonylContact O-C 3.59Å; I46-S84 WeakPolarHBondContact O-CA 3.41Å; A80-S84 WeakPolarHBondContact O-CB 3.13Å; A80-S84 PolarHBondContact O-N 3.16Å; A80-S84 PolarHBondContact O-OG 3.42Å; S84-G133 CarbonylContact O-C 3.55Å; S84-G133 WeakPolarHBondContact O-CA 3.48Å; S84-G134 PolarHBondContact O-N 3.49Å
85V98.5Very high96Very high11 Ų1155.4 Ų55.47%0.06725%0.253CS..EExtended strand (participates in β ladder)trans-127.9119.7179.7-1770000107.7L45 I46 F47 Y48 S87 G134 F136L45-V85 HydrophobicContact CB-CG2 4.29Å; L45-V85 HydrophobicContact CD1-CG2 4.15Å; I46-V85 PolarHBondContact O-N 3.41Å; F47-V85 WeakPolarHBondContact CA-O 3.43Å; F47-V85 HydrophobicContact CD1-CB 4.19Å; F47-V85 HydrophobicContact CD1-CG1 3.98Å; F47-V85 HydrophobicContact CD2-CB 3.94Å; F47-V85 HydrophobicContact CD2-CG2 4.12Å; F47-V85 HydrophobicContact CE1-CB 4.2Å; F47-V85 HydrophobicContact CE1-CG1 3.73Å; F47-V85 HydrophobicContact CE2-CB 3.94Å; F47-V85 HydrophobicContact CE2-CG1 4.28Å; F47-V85 HydrophobicContact CE2-CG2 3.74Å; F47-V85 HydrophobicContact CG-CB 4.05Å; F47-V85 HydrophobicContact CG-CG1 4.36Å; F47-V85 HydrophobicContact CZ-CB 4.07Å; F47-V85 HydrophobicContact CZ-CG1 3.88Å; F47-V85 HydrophobicContact CZ-CG2 4.03Å; Y48-V85 WeakPolarHBondContact CD1-O 3.23Å; Y48-V85 PolarHBondContact N-O 3.48Å; V85-S87 PolarHBondContact O-N 2.76Å; V85-S87 VanDerWaalsContact O-N 3.09Å; V85-G134 WeakPolarHBondContact CA-O 3.13Å; V85-F136 HydrophobicContact CG1-CB 3.63Å
86L98.2Very high95.7Very high1 Ų157 Ų571%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-69.2104.1167.8176.562.1000107.7Y48 V124 I127 V128 G134 R135 F136Y48-L86 HydrophobicContact CD2-CD1 4.28Å; Y48-L86 HydrophobicContact CE1-CB 4.36Å; Y48-L86 HydrophobicContact CE2-CB 4.49Å; Y48-L86 HydrophobicContact CE2-CD1 3.79Å; L86-V124 HydrophobicContact CD2-CG1 4.12Å; L86-I127 HydrophobicContact CD2-CB 4.15Å; L86-I127 HydrophobicContact CD2-CG2 3.64Å; L86-V128 HydrophobicContact CB-CG2 3.91Å; L86-V128 HydrophobicContact CD2-CG2 3.94Å; L86-G134 PolarHBondContact N-O 3.15Å; L86-R135 WeakPolarHBondContact O-CA 3.24Å; L86-F136 PolarHBondContact O-N 2.87Å
87S98.3Very high95.4Very high2 Ų256.5 Ų56.51%0.01427%0.267CS..EExtended strand (participates in β ladder)trans-82.8139.6167.144.20000109.2Y48 E49 V85 F136Y48-S87 PolarHBondContact N-OG 2.8Å; Y48-S87 PolarHBondContact O-N 2.85Å; Y48-S87 PolarHBondContact O-OG 2.84Å; E49-S87 WeakPolarHBondContact CG-O 3.46Å; E49-S87 WeakPolarHBondContact CG-OG 3.05Å; V85-S87 PolarHBondContact O-N 2.76Å; V85-S87 VanDerWaalsContact O-N 3.09Å; S87-F136 WeakPolarHBondContact CA-O 3.2Å
88Y98Very high95.1Very high5 Ų554.8 Ų54.82%0.0226%0.259CS..EExtended strand (participates in β ladder)trans-153.3156.5-179.371.1-81000111.1I55 T120 V124 R135 F136 L137 T138 E169I55-Y88 HydrophobicContact CD1-CD2 4.18Å; Y88-T120 HydrophobicContact CD2-CG2 4.35Å; Y88-T120 HydrophobicContact CE2-CG2 4.05Å; Y88-V124 HydrophobicContact CD1-CG1 3.79Å; Y88-V124 HydrophobicContact CD1-CG2 4.06Å; Y88-V124 HydrophobicContact CD2-CG2 3.83Å; Y88-V124 HydrophobicContact CE1-CB 4.33Å; Y88-V124 HydrophobicContact CE1-CG1 3.56Å; Y88-V124 HydrophobicContact CE1-CG2 4.13Å; Y88-V124 HydrophobicContact CE2-CG2 3.89Å; Y88-V124 HydrophobicContact CG-CG1 4.47Å; Y88-V124 HydrophobicContact CG-CG2 3.9Å; Y88-R135 HydrophobicContact CE1-CB 4.39Å; Y88-F136 VanDerWaalsContact CD1-O 3.29Å; Y88-F136 WeakPolarHBondContact CD1-O 3.28Å; Y88-F136 PolarHBondContact N-O 2.69Å; Y88-L137 HydrophobicContact CD2-CD1 4Å; Y88-L137 HydrophobicContact CE1-CB 4.2Å; Y88-L137 HydrophobicContact CE2-CB 4.3Å; Y88-L137 HydrophobicContact CE2-CD1 3.62Å; Y88-L137 CarbonylContact O-C 3.38Å; Y88-L137 WeakPolarHBondContact O-CA 3.31Å; Y88-T138 PolarHBondContact O-N 2.9Å; Y88-T138 PolarHBondContact O-OG1 3.38Å; Y88-E169 VanDerWaalsContact OH-CG 3.25Å; Y88-E169 WeakPolarHBondContact OH-CG 3.35Å; Y88-E169 PolarHBondContact OH-OE2 3.47Å
89H97.3Very high95Very high6 Ų649.9 Ų49.93%0.02824%0.242CC..EExtended strand (participates in β ladder)trans-109.4146.6-179.1-59-177000109.7N3 E4 E49 I55 Y91 T138 E139N3-H89 PolarHBondContact OD1-CE1 3.29Å; E4-H89 WeakPolarHBondContact CG-ND1 3.34Å; E4-H89 IonicContact OE1-ND1 2.98Å; E4-H89 PolarHBondContact OE1-ND1 2.85Å; E49-H89 IonicContact OE1-NE2 2.93Å; E49-H89 IonicContact OE2-CE1 3.25Å; E49-H89 IonicContact OE2-NE2 3.87Å; I55-H89 VanDerWaalsContact CD1-O 3.27Å; I55-H89 WeakPolarHBondContact CD1-O 3.11Å; H89-Y91 HydrophobicContact CB-CE2 4.45Å; H89-T138 PolarHBondContact CD2-OG1 2.96Å; H89-T138 PolarHBondContact NE2-OG1 3.49Å; H89-E139 CarbonylContact C-O 3.5Å; H89-E139 VanDerWaalsContact CA-O 3.26Å; H89-E139 WeakPolarHBondContact CA-O 3.48Å; H89-E139 HydrophobicContact CB-CB 3.89Å; H89-E139 WeakPolarHBondContact CD2-CB 3.38Å; H89-E139 IonicContact CE1-OE2 3.82Å; H89-E139 PolarHBondContact CE1-OE2 2.8Å; H89-E139 IonicContact ND1-OE1 2.62Å; H89-E139 IonicContact ND1-OE2 3.22Å; H89-E139 PolarHBondContact ND1-OE2 3.41Å; H89-E139 WeakPolarHBondContact NE2-CB 3.36Å; H89-E139 IonicContact NE2-OE2 3.86Å
90Y97.1Very high94.8Very high1 Ų147.2 Ų47.20%0.00423%0.233CC..EExtended strand (participates in β ladder)trans-128.5124.3171.1168.4-89.7000110.4Y56 L116 L117 T120 E139 F140 E156 V160Y56-Y90 HydrophobicContact CE1-CD2 4.37Å; Y90-L116 HydrophobicContact CE2-CD2 4.18Å; Y90-L116 HydrophobicContact CE2-CG 4.03Å; Y90-L117 HydrophobicContact CD1-CD1 3.92Å; Y90-L117 HydrophobicContact CD2-CD1 4.04Å; Y90-L117 HydrophobicContact CE1-CD1 3.71Å; Y90-L117 HydrophobicContact CE2-CB 3.91Å; Y90-L117 HydrophobicContact CE2-CD1 3.79Å; Y90-L117 HydrophobicContact CE2-CG 4.48Å; Y90-L117 HydrophobicContact CG-CD1 4.1Å; Y90-T120 HydrophobicContact CD2-CG2 4.11Å; Y90-E139 PolarHBondContact N-O 3.03Å; Y90-F140 VanDerWaalsContact O-CA 3.29Å; Y90-F140 WeakPolarHBondContact O-CA 3.01Å; Y90-F140 WeakPolarHBondContact O-CB 3.17Å; Y90-E156 VanDerWaalsContact CE1-OE1 3.27Å; Y90-E156 WeakPolarHBondContact CE1-OE1 3.5Å; Y90-E156 PolarHBondContact OH-OE1 3.4Å; Y90-V160 HydrophobicContact CD1-CG1 4.45Å; Y90-V160 HydrophobicContact CD1-CG2 3.79Å; Y90-V160 HydrophobicContact CE1-CG2 3.47Å; Y90-V160 VanDerWaalsContact CE1-CG2 3.47Å
91Y95.1Very high94.6Very high45 Ų4551.2 Ų51.218%0.17626%0.257CS..  trans-133.9135.8168-71.5-79.5000110.2Y56 H89 W93 E139 G141 L142 W174Y56-Y91 PolarHBondContact OH-N 3.4Å; Y56-Y91 PolarHBondContact OH-O 3.1Å; H89-Y91 HydrophobicContact CB-CE2 4.45Å; Y91-W93 PolarHBondContact O-N 3.03Å; Y91-E139 HydrophobicContact CE2-CG 4.25Å; Y91-E139 WeakPolarHBondContact CE2-OE1 3.35Å; Y91-E139 VanDerWaalsContact CZ-OE1 3.25Å; Y91-E139 WeakPolarHBondContact OH-CG 3.35Å; Y91-E139 PolarHBondContact OH-OE1 2.77Å; Y91-G141 VanDerWaalsContact CE1-N 3.3Å; Y91-L142 HydrophobicContact CD1-CB 4.41Å; Y91-L142 HydrophobicContact CD1-CD1 3.73Å; Y91-L142 HydrophobicContact CD1-CG 3.68Å; Y91-L142 HydrophobicContact CE1-CD1 4.41Å; Y91-L142 HydrophobicContact CE1-CG 3.92Å; Y91-L142 HydrophobicContact CG-CD1 4.44Å; Y91-W174 WeakPolarHBondContact OH-CB 3.25Å
92C95.3Very high94.5Very high2 Ų250 Ų501%0.01426%0.257CS..  trans-78.8100.4164.6-166.80000110.6L94 L95 C112 L116 E156C92-L94 PolarHBondContact O-N 3.09Å; C92-L95 HydrophobicContact CB-CD1 3.82Å; C92-L95 HydrophobicContact CB-CG 3.97Å; C92-L95 WeakPolarHBondContact O-CB 3.27Å; C92-L95 PolarHBondContact O-N 3.07Å; C92-C112 HydrophobicContact CB-CB 3.73Å; C92-C112 WeakPolarHBondContact CB-SG 3.31Å; C92-C112 VanDerWaalsContact SG-CA 3.54Å; C92-C112 WeakPolarHBondContact SG-CB 3.47Å; C92-C112 CovalentContact SG-SG 2.03Å; C92-C112 PolarHBondContact SG-SG 2.73Å; C92-L116 HydrophobicContact CB-CD2 4.33Å; C92-E156 WeakPolarHBondContact CB-OE1 3.21Å
93W91.6Very high94.5Very high149 Ų14947.6 Ų47.656%0.56425%0.248SC*.THydrogen-bonded Turntrans-58.7-18.9-17952.950.1000114.3Y56 Y91 L95 Q96 L116Y56-W93 HydrophobicContact CG-CZ3 4.43Å; Y91-W93 PolarHBondContact O-N 3.03Å; W93-L95 PolarHBondContact O-N 3.31Å; W93-Q96 PolarHBondContact O-N 3.05Å; W93-L116 HydrophobicContact CH2-CD1 4.14Å; W93-L116 HydrophobicContact CZ2-CD1 3.99Å
94L93Very high94.5Very high50 Ų5046 Ų4626%0.26224%0.241SC..THydrogen-bonded Turntrans-71.9-14.6178.7-61.6177.7000112.9C92 K108 L111C92-L94 PolarHBondContact O-N 3.09Å; L94-K108 PolarHBondContact O-NZ 2.73Å; L94-L111 HydrophobicContact CD1-CB 3.49Å; L94-L111 VanDerWaalsContact CD1-CB 3.49Å; L94-L111 HydrophobicContact CD1-CD1 3.55Å; L94-L111 HydrophobicContact CD1-CG 4.18Å
95L93Very high94.4Very high7 Ų747.7 Ų47.74%0.03725%0.252CS..SBendtrans-96.9-16.9-177.6-53.6-179.8000112.2C92 W93 S97 T98 M104 K108 I152 E156C92-L95 HydrophobicContact CB-CD1 3.82Å; C92-L95 HydrophobicContact CB-CG 3.97Å; C92-L95 WeakPolarHBondContact O-CB 3.27Å; C92-L95 PolarHBondContact O-N 3.07Å; W93-L95 PolarHBondContact O-N 3.31Å; L95-S97 PolarHBondContact O-N 3.1Å; L95-S97 VanDerWaalsContact O-N 3.11Å; L95-T98 PolarHBondContact O-N 3.13Å; L95-M104 HydrophobicContact CD1-CE 3.89Å; L95-M104 HydrophobicContact CD2-CE 3.73Å; L95-M104 HydrophobicContact CD2-SD 3.77Å; L95-M104 HydrophobicContact CG-CE 4.48Å; L95-K108 HydrophobicContact CD2-CD 4.13Å; L95-I152 HydrophobicContact CB-CG2 4.33Å; L95-I152 HydrophobicContact CD1-CG2 3.94Å; L95-I152 HydrophobicContact CD2-CG2 4.01Å; L95-I152 HydrophobicContact CG-CG2 4.31Å; L95-E156 HydrophobicContact CD1-CB 3.88Å; L95-E156 HydrophobicContact CD1-CG 3.63Å; L95-E156 WeakPolarHBondContact CD1-OE2 3.08Å
96Q89.8Confident94.2Very high150 Ų15051.5 Ų51.570%0.70128%0.279SS*.THydrogen-bonded Turntrans-61.1-28.5-172.7-167.1171.625.400113.9W93 L142W93-Q96 PolarHBondContact O-N 3.05Å; Q96-L142 HydrophobicContact CB-CD1 4.28Å; Q96-L142 HydrophobicContact CG-CD1 4.43Å
97S88.2Confident94.1Very high109 Ų10958.6 Ų58.676%0.76231%0.306SS*.THydrogen-bonded Turntrans-101.211.9-179.372.10000113.9L95L95-S97 PolarHBondContact O-N 3.1Å; L95-S97 VanDerWaalsContact O-N 3.11Å
98T89.3Confident94Very high28 Ų2859.4 Ų59.417%0.17231%0.309CS..SBendtrans-124.4131.5-179-59.10000109.6L95 A100 E102 K108 I152L95-T98 PolarHBondContact O-N 3.13Å; T98-A100 PolarHBondContact O-N 3.46Å; T98-E102 HydrophobicContact CG2-CB 4.44Å; T98-E102 WeakPolarHBondContact CG2-OE2 3.34Å; T98-K108 PolarHBondContact OG1-NZ 3.04Å; T98-I152 HydrophobicContact CG2-CD1 3.43Å; T98-I152 VanDerWaalsContact CG2-CD1 3.43Å
99P92.4Very high93.9Very high70 Ų7062.6 Ų62.646%0.45532%0.324SS..  trans-54.9126.6175.5-24.333.8000111.1T101 E102P99-T101 PolarHBondContact O-N 2.9Å; P99-T101 VanDerWaalsContact O-N 3.12Å; P99-E102 HydrophobicContact CB-CG 4.15Å; P99-E102 WeakPolarHBondContact CD-OE1 3.47Å; P99-E102 HydrophobicContact CG-CG 4.48Å; P99-E102 WeakPolarHBondContact CG-OE1 3.48Å; P99-E102 WeakPolarHBondContact O-CB 3.41Å; P99-E102 PolarHBondContact O-N 3.18Å
100A90.8Very high93.9Very high27 Ų2768.8 Ų68.822%0.22335%0.348CS..THydrogen-bonded Turntrans-69.1-13.6-171.700000113.8T98 E102 I152 N153T98-A100 PolarHBondContact O-N 3.46Å; A100-E102 VanDerWaalsContact C-N 3.33Å; A100-I152 HydrophobicContact CB-CG2 4.32Å; A100-I152 WeakPolarHBondContact O-CB 3.22Å; A100-I152 PolarHBondContact O-N 3.32Å; A100-N153 WeakPolarHBondContact CB-OD1 3.5Å; A100-N153 WeakPolarHBondContact O-CB 3.43Å; A100-N153 VanDerWaalsContact O-CG 3.27Å; A100-N153 PolarHBondContact O-N 3.01Å; A100-N153 PolarHBondContact O-ND2 3.48Å
101T92.9Very high93.9Very high92 Ų9271.4 Ų71.456%0.56436%0.362SS*.THydrogen-bonded Turntrans-80.2-11.717453.70000113.6P99P99-T101 PolarHBondContact O-N 2.9Å; P99-T101 VanDerWaalsContact O-N 3.12Å
102E95.2Very high94Very high99 Ų9969.3 Ų69.346%0.46335%0.354SS..SBendtrans-72.7156.8177.4-72-179.4-165.400112T98 P99 A100 M104 S151 I152T98-E102 HydrophobicContact CG2-CB 4.44Å; T98-E102 WeakPolarHBondContact CG2-OE2 3.34Å; P99-E102 HydrophobicContact CB-CG 4.15Å; P99-E102 WeakPolarHBondContact CD-OE1 3.47Å; P99-E102 HydrophobicContact CG-CG 4.48Å; P99-E102 WeakPolarHBondContact CG-OE1 3.48Å; P99-E102 WeakPolarHBondContact O-CB 3.41Å; P99-E102 PolarHBondContact O-N 3.18Å; A100-E102 VanDerWaalsContact C-N 3.33Å; E102-M104 PolarHBondContact O-N 2.9Å; E102-S151 CarbonylContact O-C 3.59Å; E102-S151 VanDerWaalsContact O-CA 3.29Å; E102-S151 WeakPolarHBondContact O-CA 3.28Å; E102-I152 HydrophobicContact CB-CD1 4.43Å; E102-I152 WeakPolarHBondContact O-CG1 3.45Å; E102-I152 PolarHBondContact O-N 3.24Å
103H96.4Very high94Very high104 Ų10470 Ų7048%0.48136%0.357SS..BIsolated β-bridgetrans-60.1129.8173.7174.796.1000110.6P105 E150H103-P105 WeakPolarHBondContact O-CD 3.23Å; H103-E150 CarbonylContact C-O 3.47Å; H103-E150 WeakPolarHBondContact CA-O 3.46Å; H103-E150 IonicContact CE1-OE2 3.28Å; H103-E150 PolarHBondContact CE1-OE2 3.44Å; H103-E150 VanDerWaalsContact CE1-OE2 3.28Å; H103-E150 WeakPolarHBondContact ND1-CB 3.32Å; H103-E150 IonicContact ND1-OE2 3.74Å; H103-E150 PolarHBondContact ND1-OE2 3.39Å
104M96Very high94.1Very high4 Ų467.6 Ų67.62%0.0235%0.352CS..  trans-68.7112.1178.2178.667.58700110.6L95 E102 S106 K108 Q109 E150 I152 V155 E156L95-M104 HydrophobicContact CD1-CE 3.89Å; L95-M104 HydrophobicContact CD2-CE 3.73Å; L95-M104 HydrophobicContact CD2-SD 3.77Å; L95-M104 HydrophobicContact CG-CE 4.48Å; E102-M104 PolarHBondContact O-N 2.9Å; M104-S106 PolarHBondContact O-N 2.64Å; M104-K108 HydrophobicContact SD-CB 3.88Å; M104-Q109 HydrophobicContact CG-CB 3.7Å; M104-Q109 HydrophobicContact CG-CG 4.3Å; M104-Q109 HydrophobicContact SD-CB 4.42Å; M104-E150 PolarHBondContact N-O 3.32Å; M104-I152 HydrophobicContact CB-CG1 3.98Å; M104-I152 HydrophobicContact CE-CB 4.16Å; M104-I152 HydrophobicContact CE-CG1 4Å; M104-I152 HydrophobicContact CE-CG2 3.95Å; M104-I152 HydrophobicContact SD-CG1 3.83Å; M104-V155 HydrophobicContact CB-CB 4.1Å; M104-V155 HydrophobicContact CB-CG1 4.19Å; M104-V155 HydrophobicContact CB-CG2 4.11Å; M104-V155 HydrophobicContact CE-CB 4.36Å; M104-V155 HydrophobicContact CE-CG1 4.18Å; M104-V155 HydrophobicContact CG-CB 4.32Å; M104-V155 HydrophobicContact CG-CG1 3.92Å; M104-E156 HydrophobicContact CE-CB 4.21Å
105P95.5Very high94.1Very high40 Ų4069.4 Ų69.426%0.2636%0.362SS..  trans-64134.3176.2-18.833.1000110.6H103 W107 K108 Q109H103-P105 WeakPolarHBondContact O-CD 3.23Å; P105-W107 PolarHBondContact O-N 3.38Å; P105-K108 HydrophobicContact CB-CB 4.49Å; P105-K108 HydrophobicContact CB-CG 4.32Å; P105-K108 HydrophobicContact CG-CD 4.2Å; P105-K108 HydrophobicContact CG-CG 4.28Å; P105-K108 WeakPolarHBondContact O-CA 3.17Å; P105-K108 WeakPolarHBondContact O-CB 3.35Å; P105-K108 PolarHBondContact O-N 2.69Å; P105-Q109 PolarHBondContact O-N 2.95Å
106S95.9Very high94.3Very high90 Ų9070.1 Ų70.163%0.62937%0.365SS*.Hα-helixtrans-56.2-32.6-173.9-44.40000114M104 Y110M104-S106 PolarHBondContact O-N 2.64Å; S106-Y110 WeakPolarHBondContact O-CB 3.25Å; S106-Y110 PolarHBondContact O-N 2.68Å
107W95.8Very high94.6Very high150 Ų15063 Ų6357%0.56833%0.332SS*.Hα-helixtrans-70.4-36.9176.372.7-93.7000112.2P105 Y110 L111P105-W107 PolarHBondContact O-N 3.38Å; W107-Y110 PolarHBondContact O-N 3.17Å; W107-L111 HydrophobicContact CE3-CD1 3.63Å; W107-L111 HydrophobicContact CE3-CG 4.47Å; W107-L111 HydrophobicContact CZ3-CD1 3.71Å; W107-L111 VanDerWaalsContact O-CG 3.31Å; W107-L111 WeakPolarHBondContact O-CG 3.23Å; W107-L111 PolarHBondContact O-N 2.98Å; W107-L111 VanDerWaalsContact O-N 3.12Å
108K95.7Very high95Very high20 Ų2060.3 Ų60.39%0.08731%0.309CS..Hα-helixtrans-66.5-46174-71.6-162.2179.6-162.90110.1L94 L95 T98 M104 P105 Y110 L111 C112L94-K108 PolarHBondContact O-NZ 2.73Å; L95-K108 HydrophobicContact CD2-CD 4.13Å; T98-K108 PolarHBondContact OG1-NZ 3.04Å; M104-K108 HydrophobicContact SD-CB 3.88Å; P105-K108 HydrophobicContact CB-CB 4.49Å; P105-K108 HydrophobicContact CB-CG 4.32Å; P105-K108 HydrophobicContact CG-CD 4.2Å; P105-K108 HydrophobicContact CG-CG 4.28Å; P105-K108 WeakPolarHBondContact O-CA 3.17Å; P105-K108 WeakPolarHBondContact O-CB 3.35Å; P105-K108 PolarHBondContact O-N 2.69Å; K108-Y110 VanDerWaalsContact C-N 3.31Å; K108-Y110 PolarHBondContact O-N 2.62Å; K108-L111 PolarHBondContact O-N 3.09Å; K108-L111 VanDerWaalsContact O-N 3.15Å; K108-C112 PolarHBondContact O-N 3.35Å; K108-C112 PolarHBondContact O-SG 2.76Å; K108-C112 VanDerWaalsContact O-SG 3.37Å
109Q95.9Very high95.3Very high71 Ų7163 Ų6333%0.33232%0.317SS..Hα-helixtrans-54.2-48.5175.8-170.6178.35.500111.4M104 P105 L111 C112 D113 V155M104-Q109 HydrophobicContact CG-CB 3.7Å; M104-Q109 HydrophobicContact CG-CG 4.3Å; M104-Q109 HydrophobicContact SD-CB 4.42Å; P105-Q109 PolarHBondContact O-N 2.95Å; Q109-L111 PolarHBondContact O-N 2.9Å; Q109-C112 PolarHBondContact O-N 2.98Å; Q109-D113 WeakPolarHBondContact CG-OD2 3.44Å; Q109-D113 PolarHBondContact NE2-OD2 2.72Å; Q109-D113 VanDerWaalsContact O-CB 3.24Å; Q109-D113 WeakPolarHBondContact O-CB 3.42Å; Q109-D113 VanDerWaalsContact O-CG 3.28Å; Q109-D113 PolarHBondContact O-N 2.81Å; Q109-V155 HydrophobicContact CG-CG1 3.93Å
110Y96.7Very high95.5Very high136 Ų13659.7 Ų59.753%0.53330%0.295SS..Iπ-helixtrans-60.2-44.8178.1179.3-94.8000112.5S106 W107 K108 Q114 L115S106-Y110 WeakPolarHBondContact O-CB 3.25Å; S106-Y110 PolarHBondContact O-N 2.68Å; W107-Y110 PolarHBondContact O-N 3.17Å; K108-Y110 VanDerWaalsContact C-N 3.31Å; K108-Y110 PolarHBondContact O-N 2.62Å; Y110-Q114 HydrophobicContact CD2-CB 3.85Å; Y110-Q114 HydrophobicContact CD2-CG 3.72Å; Y110-Q114 HydrophobicContact CE2-CB 3.8Å; Y110-Q114 HydrophobicContact CE2-CG 3.99Å; Y110-Q114 HydrophobicContact CG-CB 4.42Å; Y110-Q114 HydrophobicContact CG-CG 4.5Å; Y110-Q114 WeakPolarHBondContact O-CA 3.19Å; Y110-Q114 VanDerWaalsContact O-CB 3.28Å; Y110-Q114 WeakPolarHBondContact O-CB 3.4Å; Y110-Q114 PolarHBondContact O-N 2.84Å; Y110-L115 HydrophobicContact CE1-CD1 4.1Å; Y110-L115 HydrophobicContact CE1-CD2 4.43Å; Y110-L115 HydrophobicContact CE1-CG 4.06Å; Y110-L115 PolarHBondContact O-N 2.82Å
111L96.8Very high95.8Very high57 Ų5758.4 Ų58.430%0.29829%0.285SS..Iπ-helixtrans-66.6-41.5179.6-66.7179.6000112.4L94 W107 K108 Q109 L115 L116L94-L111 HydrophobicContact CD1-CB 3.49Å; L94-L111 VanDerWaalsContact CD1-CB 3.49Å; L94-L111 HydrophobicContact CD1-CD1 3.55Å; L94-L111 HydrophobicContact CD1-CG 4.18Å; W107-L111 HydrophobicContact CE3-CD1 3.63Å; W107-L111 HydrophobicContact CE3-CG 4.47Å; W107-L111 HydrophobicContact CZ3-CD1 3.71Å; W107-L111 VanDerWaalsContact O-CG 3.31Å; W107-L111 WeakPolarHBondContact O-CG 3.23Å; W107-L111 PolarHBondContact O-N 2.98Å; W107-L111 VanDerWaalsContact O-N 3.12Å; K108-L111 PolarHBondContact O-N 3.09Å; K108-L111 VanDerWaalsContact O-N 3.15Å; Q109-L111 PolarHBondContact O-N 2.9Å; L111-L115 HydrophobicContact CD2-CD1 3.52Å; L111-L115 WeakPolarHBondContact O-CB 3.39Å; L111-L116 WeakPolarHBondContact O-CB 3.06Å; L111-L116 PolarHBondContact O-N 3.24Å
112C96.8Very high96Very high0 Ų061.2 Ų61.20%029%0.289CS..Iπ-helixtrans-68.3-59.1176.6-62.80000110.7C92 K108 Q109 L116 L117C92-C112 HydrophobicContact CB-CB 3.73Å; C92-C112 WeakPolarHBondContact CB-SG 3.31Å; C92-C112 VanDerWaalsContact SG-CA 3.54Å; C92-C112 WeakPolarHBondContact SG-CB 3.47Å; C92-C112 CovalentContact SG-SG 2.03Å; C92-C112 PolarHBondContact SG-SG 2.73Å; K108-C112 PolarHBondContact O-N 3.35Å; K108-C112 PolarHBondContact O-SG 2.76Å; K108-C112 VanDerWaalsContact O-SG 3.37Å; Q109-C112 PolarHBondContact O-N 2.98Å; C112-L116 PolarHBondContact O-N 2.83Å; C112-L117 WeakPolarHBondContact O-CB 3.23Å; C112-L117 PolarHBondContact O-N 2.81Å
113D95.6Very high96Very high16 Ų1657 Ų579%0.08627%0.27CS..Iπ-helixtrans-73-49.6-169.8-61.71.2000112.5Q109 N118 A159Q109-D113 WeakPolarHBondContact CG-OD2 3.44Å; Q109-D113 PolarHBondContact NE2-OD2 2.72Å; Q109-D113 VanDerWaalsContact O-CB 3.24Å; Q109-D113 WeakPolarHBondContact O-CB 3.42Å; Q109-D113 VanDerWaalsContact O-CG 3.28Å; Q109-D113 PolarHBondContact O-N 2.81Å; D113-N118 PolarHBondContact O-ND2 2.99Å; D113-A159 HydrophobicContact CB-CB 4.5Å; D113-A159 WeakPolarHBondContact OD1-CB 3.44Å
114Q93.4Very high96.1Very high99 Ų9952 Ų5246%0.46325%0.247SC..Iπ-helixtrans-89.9-30.2-166.8-57.5-56.8-3800112.7Y110 N118Y110-Q114 HydrophobicContact CD2-CB 3.85Å; Y110-Q114 HydrophobicContact CD2-CG 3.72Å; Y110-Q114 HydrophobicContact CE2-CB 3.8Å; Y110-Q114 HydrophobicContact CE2-CG 3.99Å; Y110-Q114 HydrophobicContact CG-CB 4.42Å; Y110-Q114 HydrophobicContact CG-CG 4.5Å; Y110-Q114 WeakPolarHBondContact O-CA 3.19Å; Y110-Q114 VanDerWaalsContact O-CB 3.28Å; Y110-Q114 WeakPolarHBondContact O-CB 3.4Å; Y110-Q114 PolarHBondContact O-N 2.84Å; Q114-N118 WeakPolarHBondContact O-CB 3.42Å; Q114-N118 PolarHBondContact O-ND2 3.43Å; Q114-N118 VanDerWaalsContact O-ND2 3.1Å; Q114-N118 PolarHBondContact OE1-ND2 3.49Å
115L94.8Very high96.1Very high89 Ų8956.5 Ų56.547%0.46626%0.263SS..Iπ-helixtrans-99.9-70178.3-60.3-177.5000111.5Y110 L111 Y119Y110-L115 HydrophobicContact CE1-CD1 4.1Å; Y110-L115 HydrophobicContact CE1-CD2 4.43Å; Y110-L115 HydrophobicContact CE1-CG 4.06Å; Y110-L115 PolarHBondContact O-N 2.82Å; L111-L115 HydrophobicContact CD2-CD1 3.52Å; L111-L115 WeakPolarHBondContact O-CB 3.39Å; L115-Y119 WeakPolarHBondContact O-CB 3.01Å; L115-Y119 PolarHBondContact O-N 3.21Å
116L95.8Very high96.2Very high21 Ų2156.3 Ų56.311%0.1126%0.263CS..Iπ-helixtrans-66.5-49.9-166.9-171.466.9000112.3Y56 Y90 C92 W93 L111 C112 Y119 T120Y56-L116 HydrophobicContact CD1-CD1 3.56Å; Y56-L116 HydrophobicContact CD1-CG 4.36Å; Y56-L116 HydrophobicContact CE1-CD1 3.65Å; Y56-L116 HydrophobicContact CE1-CD2 4.37Å; Y56-L116 HydrophobicContact CE1-CG 3.97Å; Y90-L116 HydrophobicContact CE2-CD2 4.18Å; Y90-L116 HydrophobicContact CE2-CG 4.03Å; C92-L116 HydrophobicContact CB-CD2 4.33Å; W93-L116 HydrophobicContact CH2-CD1 4.14Å; W93-L116 HydrophobicContact CZ2-CD1 3.99Å; L111-L116 WeakPolarHBondContact O-CB 3.06Å; L111-L116 PolarHBondContact O-N 3.24Å; C112-L116 PolarHBondContact O-N 2.83Å; L116-Y119 PolarHBondContact O-N 2.99Å; L116-T120 WeakPolarHBondContact O-CB 3.41Å; L116-T120 PolarHBondContact O-N 2.77Å; L116-T120 PolarHBondContact O-OG1 2.91Å
117L96.7Very high96.2Very high0 Ų052.1 Ų52.10%023%0.234CC..Iπ-helixtrans-64.3-53.1-179-178.661.6000111.5Y90 C112 Y119 T120 F121 A159 V160 A163Y90-L117 HydrophobicContact CD1-CD1 3.92Å; Y90-L117 HydrophobicContact CD2-CD1 4.04Å; Y90-L117 HydrophobicContact CE1-CD1 3.71Å; Y90-L117 HydrophobicContact CE2-CB 3.91Å; Y90-L117 HydrophobicContact CE2-CD1 3.79Å; Y90-L117 HydrophobicContact CE2-CG 4.48Å; Y90-L117 HydrophobicContact CG-CD1 4.1Å; C112-L117 WeakPolarHBondContact O-CB 3.23Å; C112-L117 PolarHBondContact O-N 2.81Å; L117-Y119 VanDerWaalsContact C-N 3.31Å; L117-Y119 PolarHBondContact O-N 3.09Å; L117-T120 WeakPolarHBondContact O-CB 3.25Å; L117-T120 PolarHBondContact O-N 3.24Å; L117-F121 HydrophobicContact CD1-CD2 3.68Å; L117-F121 HydrophobicContact CD1-CE2 3.29Å; L117-F121 HydrophobicContact CD1-CZ 4.24Å; L117-F121 HydrophobicContact CG-CD2 4.35Å; L117-F121 HydrophobicContact CG-CE2 4.32Å; L117-F121 VanDerWaalsContact O-CD2 3.31Å; L117-F121 WeakPolarHBondContact O-CD2 3.46Å; L117-F121 PolarHBondContact O-N 2.59Å; L117-A159 HydrophobicContact CD2-CB 4.33Å; L117-V160 HydrophobicContact CD1-CG2 4.25Å; L117-V160 HydrophobicContact CD2-CG2 4.43Å; L117-A163 HydrophobicContact CD1-CB 4.18Å; L117-A163 HydrophobicContact CD2-CB 3.57Å; L117-A163 HydrophobicContact CG-CB 3.81Å
118N95.8Very high96.3Very high54 Ų5445.8 Ų45.829%0.28921%0.212SC..Hα-helixtrans-59.3-41.8177.6-77.7-20.5000112.3D113 Q114 K122D113-N118 PolarHBondContact O-ND2 2.99Å; Q114-N118 WeakPolarHBondContact O-CB 3.42Å; Q114-N118 PolarHBondContact O-ND2 3.43Å; Q114-N118 VanDerWaalsContact O-ND2 3.1Å; Q114-N118 PolarHBondContact OE1-ND2 3.49Å; N118-K122 VanDerWaalsContact O-CB 3.27Å; N118-K122 WeakPolarHBondContact O-CB 3.11Å; N118-K122 PolarHBondContact O-N 3.24Å
119Y96.2Very high96.3Very high84 Ų8451.8 Ų51.833%0.32924%0.24SC..Hα-helixtrans-61.3-48.8175.3176.2-90000110.9Y56 F57 P58 L115 L116 L117 F121 K122 N123Y56-Y119 WeakPolarHBondContact O-CE1 3.48Å; Y56-Y119 PolarHBondContact O-OH 3.15Å; F57-Y119 VanDerWaalsContact C-OH 3.27Å; P58-Y119 VanDerWaalsContact CA-OH 3.25Å; P58-Y119 WeakPolarHBondContact CA-OH 3.49Å; L115-Y119 WeakPolarHBondContact O-CB 3.01Å; L115-Y119 PolarHBondContact O-N 3.21Å; L116-Y119 PolarHBondContact O-N 2.99Å; L117-Y119 VanDerWaalsContact C-N 3.31Å; L117-Y119 PolarHBondContact O-N 3.09Å; Y119-F121 PolarHBondContact O-N 3.32Å; Y119-K122 PolarHBondContact O-N 3.48Å; Y119-N123 HydrophobicContact CD1-CB 4.46Å; Y119-N123 HydrophobicContact CE1-CB 4.08Å; Y119-N123 VanDerWaalsContact O-CB 3.25Å; Y119-N123 WeakPolarHBondContact O-CB 3.45Å; Y119-N123 PolarHBondContact O-N 2.82Å
120T96.7Very high96.3Very high0 Ų051.2 Ų51.20%024%0.244CC..Hα-helixtrans-56-52.6-178.8-61.80000111.2I55 Y56 Y88 Y90 L116 L117 K122 N123 V124I55-T120 HydrophobicContact CD1-CG2 3.41Å; I55-T120 VanDerWaalsContact CD1-CG2 3.41Å; Y56-T120 WeakPolarHBondContact CD1-OG1 3.33Å; Y56-T120 VanDerWaalsContact CE1-OG1 3.24Å; Y56-T120 WeakPolarHBondContact CE1-OG1 3.43Å; Y88-T120 HydrophobicContact CD2-CG2 4.35Å; Y88-T120 HydrophobicContact CE2-CG2 4.05Å; Y90-T120 HydrophobicContact CD2-CG2 4.11Å; L116-T120 WeakPolarHBondContact O-CB 3.41Å; L116-T120 PolarHBondContact O-N 2.77Å; L116-T120 PolarHBondContact O-OG1 2.91Å; L117-T120 WeakPolarHBondContact O-CB 3.25Å; L117-T120 PolarHBondContact O-N 3.24Å; T120-K122 PolarHBondContact O-N 2.9Å; T120-N123 PolarHBondContact O-N 3.49Å; T120-N123 VanDerWaalsContact O-N 3.16Å; T120-V124 HydrophobicContact CG2-CG2 4.42Å; T120-V124 WeakPolarHBondContact O-CG2 3.13Å; T120-V124 PolarHBondContact O-N 3.15Å
121F97.2Very high96.2Very high1 Ų144.8 Ų44.80%0.00422%0.219CC..Hα-helixtrans-63.7-40.6-179.2-84.1-111000112.5L117 Y119 N123 R125 L137 A163 A164 N167 E169L117-F121 HydrophobicContact CD1-CD2 3.68Å; L117-F121 HydrophobicContact CD1-CE2 3.29Å; L117-F121 HydrophobicContact CD1-CZ 4.24Å; L117-F121 HydrophobicContact CG-CD2 4.35Å; L117-F121 HydrophobicContact CG-CE2 4.32Å; L117-F121 VanDerWaalsContact O-CD2 3.31Å; L117-F121 WeakPolarHBondContact O-CD2 3.46Å; L117-F121 PolarHBondContact O-N 2.59Å; Y119-F121 PolarHBondContact O-N 3.32Å; F121-N123 VanDerWaalsContact C-N 3.33Å; F121-R125 WeakPolarHBondContact O-CB 3.47Å; F121-R125 PolarHBondContact O-N 3.3Å; F121-L137 HydrophobicContact CZ-CD2 4.08Å; F121-A163 HydrophobicContact CZ-CB 4.43Å; F121-A164 HydrophobicContact CE1-CB 4.41Å; F121-N167 HydrophobicContact CD1-CB 3.5Å; F121-N167 WeakPolarHBondContact CD1-ND2 3.2Å; F121-N167 HydrophobicContact CE1-CB 4.08Å; F121-E169 HydrophobicContact CD1-CB 4.19Å; F121-E169 HydrophobicContact CD1-CG 4.41Å; F121-E169 HydrophobicContact CE1-CB 3.52Å; F121-E169 HydrophobicContact CE1-CG 3.7Å; F121-E169 HydrophobicContact CZ-CB 4.43Å; F121-E169 HydrophobicContact CZ-CG 4.26Å
122K96.5Very high96.1Very high150 Ų15043 Ų4365%0.65221%0.214SC*.Hα-helixtrans-64.2-40.4174.7-176.4179.7178.1-177.80111.6N118 Y119 T120 S126N118-K122 VanDerWaalsContact O-CB 3.27Å; N118-K122 WeakPolarHBondContact O-CB 3.11Å; N118-K122 PolarHBondContact O-N 3.24Å; Y119-K122 PolarHBondContact O-N 3.48Å; T120-K122 PolarHBondContact O-N 2.9Å; K122-S126 PolarHBondContact O-N 3.17Å; K122-S126 PolarHBondContact O-OG 3Å
123N96.4Very high96.1Very high11 Ų1144.3 Ų44.36%0.05923%0.227CC..Hα-helixtrans-70.8-46.8-177.7-162.439.8000111.1I55 F57 Y119 T120 F121 R125 S126 I127I55-N123 PolarHBondContact O-ND2 3.15Å; F57-N123 PolarHBondContact O-ND2 3.16Å; Y119-N123 HydrophobicContact CD1-CB 4.46Å; Y119-N123 HydrophobicContact CE1-CB 4.08Å; Y119-N123 VanDerWaalsContact O-CB 3.25Å; Y119-N123 WeakPolarHBondContact O-CB 3.45Å; Y119-N123 PolarHBondContact O-N 2.82Å; T120-N123 PolarHBondContact O-N 3.49Å; T120-N123 VanDerWaalsContact O-N 3.16Å; F121-N123 VanDerWaalsContact C-N 3.33Å; N123-R125 VanDerWaalsContact C-N 3.3Å; N123-R125 PolarHBondContact O-N 3.02Å; N123-S126 CarbonylContact O-C 3.02Å; N123-S126 WeakPolarHBondContact O-CA 3.3Å; N123-S126 WeakPolarHBondContact O-CB 3.44Å; N123-S126 PolarHBondContact O-N 2.89Å; N123-I127 WeakPolarHBondContact O-CD1 3.4Å; N123-I127 VanDerWaalsContact O-CG1 3.28Å; N123-I127 WeakPolarHBondContact O-CG1 2.89Å; N123-I127 PolarHBondContact O-N 2.78Å
124V97.4Very high96.2Very high0 Ų045 Ų450%024%0.239CC..Hα-helixtrans-56.6-44.4173.7171.10000111.1I55 L86 Y88 T120 S126 I127 V128 R135I55-V124 HydrophobicContact CB-CG2 4.16Å; I55-V124 HydrophobicContact CG2-CG2 4.04Å; L86-V124 HydrophobicContact CD2-CG1 4.12Å; Y88-V124 HydrophobicContact CD1-CG1 3.79Å; Y88-V124 HydrophobicContact CD1-CG2 4.06Å; Y88-V124 HydrophobicContact CD2-CG2 3.83Å; Y88-V124 HydrophobicContact CE1-CB 4.33Å; Y88-V124 HydrophobicContact CE1-CG1 3.56Å; Y88-V124 HydrophobicContact CE1-CG2 4.13Å; Y88-V124 HydrophobicContact CE2-CG2 3.89Å; Y88-V124 HydrophobicContact CG-CG1 4.47Å; Y88-V124 HydrophobicContact CG-CG2 3.9Å; T120-V124 HydrophobicContact CG2-CG2 4.42Å; T120-V124 WeakPolarHBondContact O-CG2 3.13Å; T120-V124 PolarHBondContact O-N 3.15Å; V124-S126 VanDerWaalsContact C-N 3.3Å; V124-S126 PolarHBondContact O-N 3.5Å; V124-I127 PolarHBondContact O-N 2.97Å; V124-V128 PolarHBondContact O-N 3.07Å; V124-R135 HydrophobicContact CG1-CB 3.76Å; V124-R135 HydrophobicContact CG1-CG 4.38Å
125R96.7Very high96.4Very high97 Ų9742.9 Ų42.937%0.36623%0.227SC..Hα-helixtrans-57.7-44.4173.9-174.4-174-62-166.9-0.9111.7F121 N123 V128 Q129 N167F121-R125 WeakPolarHBondContact O-CB 3.47Å; F121-R125 PolarHBondContact O-N 3.3Å; N123-R125 VanDerWaalsContact C-N 3.3Å; N123-R125 PolarHBondContact O-N 3.02Å; R125-V128 PolarHBondContact O-N 3.39Å; R125-Q129 WeakPolarHBondContact O-CB 3.27Å; R125-Q129 VanDerWaalsContact O-CG 3.23Å; R125-Q129 WeakPolarHBondContact O-CG 3.35Å; R125-Q129 PolarHBondContact O-N 3.06Å; R125-N167 PolarHBondContact NH2-OD1 2.71Å
126S97Very high96.6Very high37 Ų3740.9 Ų40.926%0.25921%0.214SC..Hα-helixtrans-66.9-38.8179.2-54.20000112K122 N123 V124 Q129 S130K122-S126 PolarHBondContact O-N 3.17Å; K122-S126 PolarHBondContact O-OG 3Å; N123-S126 CarbonylContact O-C 3.02Å; N123-S126 WeakPolarHBondContact O-CA 3.3Å; N123-S126 WeakPolarHBondContact O-CB 3.44Å; N123-S126 PolarHBondContact O-N 2.89Å; V124-S126 VanDerWaalsContact C-N 3.3Å; V124-S126 PolarHBondContact O-N 3.5Å; S126-Q129 PolarHBondContact O-N 2.93Å; S126-S130 PolarHBondContact O-N 2.89Å
127I96.9Very high96.7Very high1 Ų139.9 Ų39.91%0.00521%0.209CC..Hα-helixtrans-57.7-55.1173.7-66.7155.3000109.7I55 F59 P64 T66 L86 N123 V124 Q129 S130 T131I55-I127 HydrophobicContact CG2-CD1 4.48Å; F59-I127 HydrophobicContact CE2-CG1 3.99Å; F59-I127 HydrophobicContact CZ-CG1 4.2Å; P64-I127 HydrophobicContact CB-CG1 3.84Å; P64-I127 HydrophobicContact CB-CG2 4.31Å; T66-I127 HydrophobicContact CG2-CD1 3.69Å; T66-I127 HydrophobicContact CG2-CG1 4.37Å; T66-I127 HydrophobicContact CG2-CG2 4.32Å; L86-I127 HydrophobicContact CD2-CB 4.15Å; L86-I127 HydrophobicContact CD2-CG2 3.64Å; N123-I127 WeakPolarHBondContact O-CD1 3.4Å; N123-I127 VanDerWaalsContact O-CG1 3.28Å; N123-I127 WeakPolarHBondContact O-CG1 2.89Å; N123-I127 PolarHBondContact O-N 2.78Å; V124-I127 PolarHBondContact O-N 2.97Å; I127-Q129 VanDerWaalsContact C-N 3.32Å; I127-Q129 PolarHBondContact O-N 3.42Å; I127-S130 WeakPolarHBondContact O-CA 3.46Å; I127-S130 WeakPolarHBondContact O-CB 3.38Å; I127-S130 PolarHBondContact O-N 3.36Å; I127-T131 HydrophobicContact CG2-CG2 4.39Å; I127-T131 PolarHBondContact O-N 2.84Å; I127-T131 PolarHBondContact O-OG1 3.29Å; I127-T131 VanDerWaalsContact O-OG1 3.09Å
128V96.8Very high96.7Very high18 Ų1841.3 Ų41.311%0.10922%0.218CC..Hα-helixtrans-66.1-33.4-178.3174.10000112.5L86 V124 R125 S130 G132 G133 R135L86-V128 HydrophobicContact CB-CG2 3.91Å; L86-V128 HydrophobicContact CD2-CG2 3.94Å; V124-V128 PolarHBondContact O-N 3.07Å; R125-V128 PolarHBondContact O-N 3.39Å; V128-S130 VanDerWaalsContact C-N 3.26Å; V128-S130 PolarHBondContact O-N 3.49Å; V128-G132 CarbonylContact O-C 3.52Å; V128-G132 VanDerWaalsContact O-CA 3.23Å; V128-G132 WeakPolarHBondContact O-CA 3.25Å; V128-G132 PolarHBondContact O-N 2.81Å; V128-G133 WeakPolarHBondContact CG1-O 3.21Å; V128-R135 HydrophobicContact CG2-CB 4.06Å
129Q95.6Very high96.8Very high146 Ų14639.3 Ų39.368%0.68221%0.206SC*.Hα-helixtrans-60.5-36.8170.7-77.8172.8-13.200112.2R125 S126 I127R125-Q129 WeakPolarHBondContact O-CB 3.27Å; R125-Q129 VanDerWaalsContact O-CG 3.23Å; R125-Q129 WeakPolarHBondContact O-CG 3.35Å; R125-Q129 PolarHBondContact O-N 3.06Å; S126-Q129 PolarHBondContact O-N 2.93Å; I127-Q129 VanDerWaalsContact C-N 3.32Å; I127-Q129 PolarHBondContact O-N 3.42Å
130S95.6Very high96.7Very high59 Ų5935.3 Ų35.341%0.41319%0.191SC..Hα-helixtrans-77.7-41.1178.4-173.10000113S126 I127 V128S126-S130 PolarHBondContact O-N 2.89Å; I127-S130 WeakPolarHBondContact O-CA 3.46Å; I127-S130 WeakPolarHBondContact O-CB 3.38Å; I127-S130 PolarHBondContact O-N 3.36Å; V128-S130 VanDerWaalsContact C-N 3.26Å; V128-S130 PolarHBondContact O-N 3.49Å
131T95.5Very high96.5Very high1 Ų135.5 Ų35.51%0.00619%0.192CC..Hα-helixtrans-92.7-25.5-171.9590000113.6P64 M68 R81 I127P64-T131 HydrophobicContact CG-CG2 4.44Å; M68-T131 WeakPolarHBondContact O-CG2 3.49Å; R81-T131 PolarHBondContact NE-O 3.21Å; I127-T131 HydrophobicContact CG2-CG2 4.39Å; I127-T131 PolarHBondContact O-N 2.84Å; I127-T131 PolarHBondContact O-OG1 3.29Å; I127-T131 VanDerWaalsContact O-OG1 3.09Å
132G95.8Very high96Very high20 Ų2039 Ų3921%0.20621%0.211CC..  trans82.1177.6-159.800000112V71 V128V71-G132 WeakPolarHBondContact CG1-O 3.35Å; V128-G132 CarbonylContact O-C 3.52Å; V128-G132 VanDerWaalsContact O-CA 3.23Å; V128-G132 WeakPolarHBondContact O-CA 3.25Å; V128-G132 PolarHBondContact O-N 2.81Å
133G96.3Very high95.7Very high26 Ų2632 Ų3227%0.26818%0.181SC..SBendtrans104.9-179.8-177.500000114.2R81 S84 V128R81-G133 WeakPolarHBondContact O-CA 3.29Å; R81-G133 PolarHBondContact O-N 3.5Å; S84-G133 CarbonylContact O-C 3.55Å; S84-G133 WeakPolarHBondContact O-CA 3.48Å; V128-G133 WeakPolarHBondContact CG1-O 3.21Å
134G97.1Very high95.4Very high32 Ų3233.9 Ų33.933%0.3319%0.191SC..EExtended strand (participates in β ladder)trans-94.7178.9159.500000111.4S84 V85 L86S84-G134 PolarHBondContact O-N 3.49Å; V85-G134 WeakPolarHBondContact CA-O 3.13Å; L86-G134 PolarHBondContact N-O 3.15Å
135R97.5Very high95Very high54 Ų5434 Ų3420%0.20419%0.192CC..EExtended strand (participates in β ladder)trans-131.4151.517051.7-173.6171.796.317.5109.3L86 Y88 V124 V128 N167 E169L86-R135 WeakPolarHBondContact O-CA 3.24Å; Y88-R135 HydrophobicContact CE1-CB 4.39Å; V124-R135 HydrophobicContact CG1-CB 3.76Å; V124-R135 HydrophobicContact CG1-CG 4.38Å; V128-R135 HydrophobicContact CG2-CB 4.06Å; R135-N167 PolarHBondContact NH1-O 2.9Å; R135-N167 PolarHBondContact NH2-O 3.46Å; R135-E169 WeakPolarHBondContact CD-OE2 3.33Å; R135-E169 WeakPolarHBondContact CG-OE1 3.48Å; R135-E169 WeakPolarHBondContact CG-OE2 3.49Å; R135-E169 IonicContact CZ-OE2 3.36Å; R135-E169 IonicContact NE-OE2 3.6Å; R135-E169 IonicContact NH1-OE2 3.41Å; R135-E169 PolarHBondContact NH1-OE2 3.12Å
136F98.5Very high94.6Very high47 Ų4732 Ų3221%0.20619%0.188CC..EExtended strand (participates in β ladder)trans-152.8126.2177.1-160.8-71.8000109.5F47 V85 L86 S87 Y88 T138 E169 T172F47-F136 HydrophobicContact CD1-CB 4.37Å; F47-F136 HydrophobicContact CE1-CB 3.67Å; F47-F136 HydrophobicContact CE1-CD1 4.22Å; F47-F136 AromaticContact CE1-CD2 3.87Å; F47-F136 HydrophobicContact CE1-CD2 3.87Å; F47-F136 AromaticContact CE1-CG 3.67Å; F47-F136 HydrophobicContact CE1-CG 3.67Å; F47-F136 HydrophobicContact CZ-CB 4.46Å; F47-F136 HydrophobicContact CZ-CD2 4.13Å; F47-F136 HydrophobicContact CZ-CG 4.37Å; V85-F136 HydrophobicContact CG1-CB 3.63Å; L86-F136 PolarHBondContact O-N 2.87Å; S87-F136 WeakPolarHBondContact CA-O 3.2Å; Y88-F136 VanDerWaalsContact CD1-O 3.29Å; Y88-F136 WeakPolarHBondContact CD1-O 3.28Å; Y88-F136 PolarHBondContact N-O 2.69Å; F136-T138 HydrophobicContact CD1-CG2 3.7Å; F136-T138 HydrophobicContact CE1-CG2 4.4Å; F136-T138 HydrophobicContact CG-CG2 4.46Å; F136-T138 PolarHBondContact O-N 3.21Å; F136-T138 VanDerWaalsContact O-N 3.08Å; F136-E169 WeakPolarHBondContact CA-OE1 3.07Å; F136-E169 PolarHBondContact N-OE1 2.97Å; F136-T172 HydrophobicContact CE1-CG2 3.94Å; F136-T172 HydrophobicContact CZ-CG2 4.23Å
137L98.3Very high94.1Very high0 Ų032.3 Ų32.30%020%0.197CC..EExtended strand (participates in β ladder)trans-76.289.6173.3174.761.2000109.2Y88 F121 E139 F140 V160 E169 S170 W171 T172Y88-L137 HydrophobicContact CD2-CD1 4Å; Y88-L137 HydrophobicContact CE1-CB 4.2Å; Y88-L137 HydrophobicContact CE2-CB 4.3Å; Y88-L137 HydrophobicContact CE2-CD1 3.62Å; Y88-L137 CarbonylContact O-C 3.38Å; Y88-L137 WeakPolarHBondContact O-CA 3.31Å; F121-L137 HydrophobicContact CZ-CD2 4.08Å; L137-E139 VanDerWaalsContact C-N 3.25Å; L137-E139 VanDerWaalsContact CD1-O 3.24Å; L137-E139 WeakPolarHBondContact CD1-O 3.25Å; L137-E139 PolarHBondContact O-N 2.83Å; L137-F140 HydrophobicContact CD1-CB 4.44Å; L137-F140 HydrophobicContact CD2-CB 4.19Å; L137-F140 HydrophobicContact CD2-CD1 3.9Å; L137-F140 HydrophobicContact CD2-CG 4.22Å; L137-F140 HydrophobicContact CG-CB 4.48Å; L137-F140 HydrophobicContact CG-CD1 4.25Å; L137-V160 HydrophobicContact CD2-CG1 3.93Å; L137-E169 HydrophobicContact CB-CG 3.9Å; L137-E169 PolarHBondContact N-OE1 2.77Å; L137-S170 WeakPolarHBondContact CB-O 3.48Å; L137-S170 PolarHBondContact N-O 3.07Å; L137-W171 HydrophobicContact CB-CB 4.05Å; L137-W171 HydrophobicContact CD2-CB 4.05Å; L137-W171 HydrophobicContact CG-CB 4.2Å; L137-W171 CarbonylContact O-C 3.56Å; L137-W171 WeakPolarHBondContact O-CA 3.47Å; L137-T172 PolarHBondContact O-N 3.26Å
138T97.6Very high93.9Very high30 Ų3035.3 Ų35.318%0.18421%0.213CC..EExtended strand (participates in β ladder)trans-76.1-15.5-173.544.60000113.6F47 Y88 H89 F136 T172F47-T138 HydrophobicContact CD1-CG2 4.08Å; F47-T138 HydrophobicContact CE1-CG2 4.42Å; Y88-T138 PolarHBondContact O-N 2.9Å; Y88-T138 PolarHBondContact O-OG1 3.38Å; H89-T138 PolarHBondContact CD2-OG1 2.96Å; H89-T138 PolarHBondContact NE2-OG1 3.49Å; F136-T138 HydrophobicContact CD1-CG2 3.7Å; F136-T138 HydrophobicContact CE1-CG2 4.4Å; F136-T138 HydrophobicContact CG-CG2 4.46Å; F136-T138 PolarHBondContact O-N 3.21Å; F136-T138 VanDerWaalsContact O-N 3.08Å; T138-T172 WeakPolarHBondContact CA-OG1 3.39Å; T138-T172 PolarHBondContact O-OG1 2.97Å
139E96.6Very high93.7Very high11 Ų1139.1 Ų39.15%0.05124%0.238CC..EExtended strand (participates in β ladder)trans-152.4130.6178.6-150.1-179.9111.200111.4H89 Y90 Y91 L137 T172 W174H89-E139 CarbonylContact C-O 3.5Å; H89-E139 VanDerWaalsContact CA-O 3.26Å; H89-E139 WeakPolarHBondContact CA-O 3.48Å; H89-E139 HydrophobicContact CB-CB 3.89Å; H89-E139 WeakPolarHBondContact CD2-CB 3.38Å; H89-E139 IonicContact CE1-OE2 3.82Å; H89-E139 PolarHBondContact CE1-OE2 2.8Å; H89-E139 IonicContact ND1-OE1 2.62Å; H89-E139 IonicContact ND1-OE2 3.22Å; H89-E139 PolarHBondContact ND1-OE2 3.41Å; H89-E139 WeakPolarHBondContact NE2-CB 3.36Å; H89-E139 IonicContact NE2-OE2 3.86Å; Y90-E139 PolarHBondContact N-O 3.03Å; Y91-E139 HydrophobicContact CE2-CG 4.25Å; Y91-E139 WeakPolarHBondContact CE2-OE1 3.35Å; Y91-E139 VanDerWaalsContact CZ-OE1 3.25Å; Y91-E139 WeakPolarHBondContact OH-CG 3.35Å; Y91-E139 PolarHBondContact OH-OE1 2.77Å; L137-E139 VanDerWaalsContact C-N 3.25Å; L137-E139 VanDerWaalsContact CD1-O 3.24Å; L137-E139 WeakPolarHBondContact CD1-O 3.25Å; L137-E139 PolarHBondContact O-N 2.83Å; E139-T172 WeakPolarHBondContact CA-O 3.39Å; E139-W174 HydrophobicContact CG-CB 3.45Å; E139-W174 VanDerWaalsContact CG-CB 3.45Å; E139-W174 HydrophobicContact CG-CD2 3.91Å; E139-W174 HydrophobicContact CG-CE3 3.75Å; E139-W174 HydrophobicContact CG-CG 3.82Å
140F95.5Very high93.6Very high1 Ų137.4 Ų37.40%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-150.4154.7160.974.1-76.4000108.3Y90 L137 V160 L161 W171 Y173 W174 F193Y90-F140 VanDerWaalsContact O-CA 3.29Å; Y90-F140 WeakPolarHBondContact O-CA 3.01Å; Y90-F140 WeakPolarHBondContact O-CB 3.17Å; L137-F140 HydrophobicContact CD1-CB 4.44Å; L137-F140 HydrophobicContact CD2-CB 4.19Å; L137-F140 HydrophobicContact CD2-CD1 3.9Å; L137-F140 HydrophobicContact CD2-CG 4.22Å; L137-F140 HydrophobicContact CG-CB 4.48Å; L137-F140 HydrophobicContact CG-CD1 4.25Å; F140-V160 HydrophobicContact CB-CG1 4.16Å; F140-V160 HydrophobicContact CD1-CG1 4.34Å; F140-V160 HydrophobicContact CD2-CB 3.94Å; F140-V160 HydrophobicContact CD2-CG1 3.51Å; F140-V160 HydrophobicContact CD2-CG2 4.27Å; F140-V160 HydrophobicContact CE2-CB 4.19Å; F140-V160 HydrophobicContact CE2-CG1 3.94Å; F140-V160 HydrophobicContact CG-CG1 3.73Å; F140-L161 HydrophobicContact CE2-CD2 4.45Å; F140-L161 HydrophobicContact CE2-CG 4.49Å; F140-L161 HydrophobicContact CZ-CD2 3.81Å; F140-L161 HydrophobicContact CZ-CG 4.31Å; F140-W171 HydrophobicContact CD1-CB 4.35Å; F140-W171 HydrophobicContact CE1-CB 3.98Å; F140-W171 AromaticContact CE1-CD2 3.93Å; F140-W171 HydrophobicContact CE1-CD2 3.93Å; F140-W171 AromaticContact CE1-CE3 3.57Å; F140-W171 HydrophobicContact CE1-CE3 3.57Å; F140-W171 HydrophobicContact CE1-CG 4.13Å; F140-W171 HydrophobicContact CE1-CZ3 4.35Å; F140-W171 HydrophobicContact CZ-CD2 4.33Å; F140-W171 AromaticContact CZ-CE3 3.99Å; F140-W171 HydrophobicContact CZ-CE3 3.99Å; F140-W171 HydrophobicContact CZ-CZ3 4.4Å; F140-Y173 HydrophobicContact CD2-CD2 4.28Å; F140-Y173 HydrophobicContact CE1-CD2 4.34Å; F140-Y173 AromaticContact CE2-CD2 3.82Å; F140-Y173 HydrophobicContact CE2-CD2 3.82Å; F140-Y173 AromaticContact CZ-CD2 3.86Å; F140-Y173 HydrophobicContact CZ-CD2 3.86Å; F140-Y173 HydrophobicContact CZ-CG 4.35Å; F140-Y173 WeakPolarHBondContact O-CD2 3.33Å; F140-W174 PolarHBondContact O-N 3.14Å; F140-F193 HydrophobicContact CE2-CE1 4.35Å; F140-F193 HydrophobicContact CZ-CE1 4.03Å
141G91.5Very high93.7Very high3 Ų334.6 Ų34.63%0.03121%0.21CC..  trans-179.3-144.9-176.900000112Y91 C143Y91-G141 VanDerWaalsContact CE1-N 3.3Å; G141-C143 PolarHBondContact O-N 3.03Å
142L86.3Confident93.6Very high75 Ų7534.5 Ų34.539%0.39321%0.21SC..SBendtrans59.223.8-165.9-56174.8000112.8Y91 Q96Y91-L142 HydrophobicContact CD1-CB 4.41Å; Y91-L142 HydrophobicContact CD1-CD1 3.73Å; Y91-L142 HydrophobicContact CD1-CG 3.68Å; Y91-L142 HydrophobicContact CE1-CD1 4.41Å; Y91-L142 HydrophobicContact CE1-CG 3.92Å; Y91-L142 HydrophobicContact CG-CD1 4.44Å; Q96-L142 HydrophobicContact CB-CD1 4.28Å; Q96-L142 HydrophobicContact CG-CD1 4.43Å
143C91.1Very high93.5Very high3 Ų334.4 Ų34.42%0.0220%0.204CC..  trans-149.9137.1177.168.60000108.3G141 N153 E156 C157 Y173G141-C143 PolarHBondContact O-N 3.03Å; C143-N153 WeakPolarHBondContact CB-O 3.47Å; C143-E156 HydrophobicContact CB-CB 3.86Å; C143-E156 HydrophobicContact CB-CG 4.05Å; C143-C157 HydrophobicContact CB-CB 3.92Å; C143-C157 WeakPolarHBondContact CB-SG 3.34Å; C143-C157 PolarHBondContact O-SG 2.88Å; C143-C157 WeakPolarHBondContact SG-CA 3.48Å; C143-C157 WeakPolarHBondContact SG-CB 3.46Å; C143-C157 PolarHBondContact SG-N 3.39Å; C143-C157 VanDerWaalsContact SG-N 3.37Å; C143-C157 CovalentContact SG-SG 2.05Å; C143-C157 PolarHBondContact SG-SG 2.95Å; C143-Y173 VanDerWaalsContact O-CE2 3.25Å; C143-Y173 WeakPolarHBondContact O-CE2 3.33Å; C143-Y173 PolarHBondContact O-OH 2.7Å
144L89.9Confident93.4Very high51 Ų5133.7 Ų33.727%0.26720%0.195SC..  trans-144.3109.3169.3179.268.2000108.3D146 N153 L179 F193L144-D146 PolarHBondContact O-N 3.03Å; L144-D146 VanDerWaalsContact O-N 3.15Å; L144-N153 PolarHBondContact N-OD1 3.02Å; L144-N153 WeakPolarHBondContact O-CB 3.47Å; L144-N153 PolarHBondContact O-ND2 3.19Å; L144-N153 PolarHBondContact O-OD1 2.91Å; L144-L179 HydrophobicContact CD1-CD1 3.79Å; L144-L179 HydrophobicContact CD1-CD2 3.74Å; L144-L179 HydrophobicContact CD1-CG 4.12Å; L144-L179 HydrophobicContact CD2-CD2 4.11Å; L144-L179 HydrophobicContact CG-CD2 4.5Å; L144-F193 HydrophobicContact CD1-CE2 4.04Å
145P89.4Confident93.4Very high3 Ų333.1 Ų33.12%0.01919%0.185CC..  trans-54.7123.6-172.3-20.327.9000111.6C157 S189 S192 F193P145-C157 HydrophobicContact CG-CB 3.94Å; P145-S189 VanDerWaalsContact O-CA 3.28Å; P145-S189 WeakPolarHBondContact O-CA 3.35Å; P145-S189 WeakPolarHBondContact O-CB 3.24Å; P145-S189 PolarHBondContact O-OG 3.29Å; P145-S192 WeakPolarHBondContact CG-OG 3.38Å; P145-F193 HydrophobicContact CG-CE2 4.39Å
146D88.4Confident93.3Very high55 Ų5530.6 Ų30.629%0.29418%0.176SC..  trans-110.69.1-170.15613.8000112.7L144 N148 S151 N153 T154L144-D146 PolarHBondContact O-N 3.03Å; L144-D146 VanDerWaalsContact O-N 3.15Å; D146-N148 VanDerWaalsContact C-N 3.25Å; D146-N148 PolarHBondContact O-N 3.36Å; D146-N148 WeakPolarHBondContact OD1-CB 3.49Å; D146-N148 PolarHBondContact OD1-N 3.04Å; D146-N148 VanDerWaalsContact OD1-N 3.09Å; D146-S151 VanDerWaalsContact CG-OG 3.29Å; D146-S151 WeakPolarHBondContact OD1-CB 3.18Å; D146-S151 PolarHBondContact OD1-OG 3.2Å; D146-S151 WeakPolarHBondContact OD2-CB 3.25Å; D146-S151 PolarHBondContact OD2-OG 2.83Å; D146-N153 WeakPolarHBondContact OD2-CB 3.28Å; D146-N153 PolarHBondContact OD2-ND2 2.93Å; D146-T154 PolarHBondContact N-OG1 3.34Å; D146-T154 PolarHBondContact OD1-OG1 3.02Å
147G85.3Confident93.1Very high43 Ų4328.4 Ų28.444%0.44317%0.166SC..SBendtrans82.8-6.9-177.900000114.8P149 I188G147-P149 WeakPolarHBondContact O-CD 3.05Å; G147-I188 VanDerWaalsContact CA-CG1 3.43Å
148N92.6Very high93Very high64 Ų6429.4 Ų29.434%0.34217%0.172SC..  trans-86.1113.4166.8178.12.8000109.2D146 E150 S151 T154D146-N148 VanDerWaalsContact C-N 3.25Å; D146-N148 PolarHBondContact O-N 3.36Å; D146-N148 WeakPolarHBondContact OD1-CB 3.49Å; D146-N148 PolarHBondContact OD1-N 3.04Å; D146-N148 VanDerWaalsContact OD1-N 3.09Å; N148-E150 PolarHBondContact O-N 2.89Å; N148-E150 VanDerWaalsContact O-N 3.12Å; N148-E150 PolarHBondContact OD1-N 3.14Å; N148-S151 PolarHBondContact O-N 2.85Å; N148-S151 PolarHBondContact O-OG 3.37Å; N148-T154 WeakPolarHBondContact O-CB 3.24Å; N148-T154 PolarHBondContact O-OG1 3.11Å
149P93Very high92.9Very high97 Ų9728.5 Ų28.563%0.6317%0.167SC*.THydrogen-bonded Turntrans-65.9-15.8-177.427.7-35.2000113.9G147 V155G147-P149 WeakPolarHBondContact O-CD 3.05Å; P149-V155 WeakPolarHBondContact O-CG2 3.37Å
150E95Very high93Very high110 Ų11028 Ų2851%0.51417%0.165SC..THydrogen-bonded Turntrans-103.6-4.3-178.7-55.2-173.1169.500113.5H103 M104 N148H103-E150 CarbonylContact C-O 3.47Å; H103-E150 WeakPolarHBondContact CA-O 3.46Å; H103-E150 IonicContact CE1-OE2 3.28Å; H103-E150 PolarHBondContact CE1-OE2 3.44Å; H103-E150 VanDerWaalsContact CE1-OE2 3.28Å; H103-E150 WeakPolarHBondContact ND1-CB 3.32Å; H103-E150 IonicContact ND1-OE2 3.74Å; H103-E150 PolarHBondContact ND1-OE2 3.39Å; M104-E150 PolarHBondContact N-O 3.32Å; N148-E150 PolarHBondContact O-N 2.89Å; N148-E150 VanDerWaalsContact O-N 3.12Å; N148-E150 PolarHBondContact OD1-N 3.14Å
151S95.7Very high93.1Very high0 Ų028 Ų280%017%0.165CC..BIsolated β-bridgetrans-69.5151.8179.265.20000111.4E102 D146 N148 N153 T154 V155E102-S151 CarbonylContact O-C 3.59Å; E102-S151 VanDerWaalsContact O-CA 3.29Å; E102-S151 WeakPolarHBondContact O-CA 3.28Å; D146-S151 VanDerWaalsContact CG-OG 3.29Å; D146-S151 WeakPolarHBondContact OD1-CB 3.18Å; D146-S151 PolarHBondContact OD1-OG 3.2Å; D146-S151 WeakPolarHBondContact OD2-CB 3.25Å; D146-S151 PolarHBondContact OD2-OG 2.83Å; N148-S151 PolarHBondContact O-N 2.85Å; N148-S151 PolarHBondContact O-OG 3.37Å; S151-N153 PolarHBondContact O-N 3.48Å; S151-N153 WeakPolarHBondContact OG-CB 3.11Å; S151-T154 PolarHBondContact O-N 3.37Å; S151-T154 VanDerWaalsContact O-N 3.17Å; S151-T154 PolarHBondContact OG-N 3.21Å; S151-T154 VanDerWaalsContact OG-N 3.17Å; S151-T154 PolarHBondContact OG-OG1 3.15Å; S151-V155 WeakPolarHBondContact O-CB 3.13Å; S151-V155 VanDerWaalsContact O-CG2 3.26Å; S151-V155 WeakPolarHBondContact O-CG2 3.48Å; S151-V155 PolarHBondContact O-N 3.37Å
152I95.3Very high93.4Very high0 Ų030.2 Ų30.20%018%0.176CC..Hα-helixtrans-53.1-42.8172.1-71166.4000110.5L95 T98 A100 E102 M104 T154 E156L95-I152 HydrophobicContact CB-CG2 4.33Å; L95-I152 HydrophobicContact CD1-CG2 3.94Å; L95-I152 HydrophobicContact CD2-CG2 4.01Å; L95-I152 HydrophobicContact CG-CG2 4.31Å; T98-I152 HydrophobicContact CG2-CD1 3.43Å; T98-I152 VanDerWaalsContact CG2-CD1 3.43Å; A100-I152 HydrophobicContact CB-CG2 4.32Å; A100-I152 WeakPolarHBondContact O-CB 3.22Å; A100-I152 PolarHBondContact O-N 3.32Å; E102-I152 HydrophobicContact CB-CD1 4.43Å; E102-I152 WeakPolarHBondContact O-CG1 3.45Å; E102-I152 PolarHBondContact O-N 3.24Å; M104-I152 HydrophobicContact CB-CG1 3.98Å; M104-I152 HydrophobicContact CE-CB 4.16Å; M104-I152 HydrophobicContact CE-CG1 4Å; M104-I152 HydrophobicContact CE-CG2 3.95Å; M104-I152 HydrophobicContact SD-CG1 3.83Å; I152-T154 PolarHBondContact O-N 3.05Å; I152-E156 VanDerWaalsContact O-CB 3.22Å; I152-E156 WeakPolarHBondContact O-CB 3.22Å; I152-E156 PolarHBondContact O-N 3.07Å
153N93.2Very high93.9Very high17 Ų1726.6 Ų26.69%0.09116%0.157CC..Hα-helixtrans-47.4-57.6173-94-23.8000113.1A100 C143 L144 D146 S151 C157A100-N153 WeakPolarHBondContact CB-OD1 3.5Å; A100-N153 WeakPolarHBondContact O-CB 3.43Å; A100-N153 VanDerWaalsContact O-CG 3.27Å; A100-N153 PolarHBondContact O-N 3.01Å; A100-N153 PolarHBondContact O-ND2 3.48Å; C143-N153 WeakPolarHBondContact CB-O 3.47Å; L144-N153 PolarHBondContact N-OD1 3.02Å; L144-N153 WeakPolarHBondContact O-CB 3.47Å; L144-N153 PolarHBondContact O-ND2 3.19Å; L144-N153 PolarHBondContact O-OD1 2.91Å; D146-N153 WeakPolarHBondContact OD2-CB 3.28Å; D146-N153 PolarHBondContact OD2-ND2 2.93Å; S151-N153 PolarHBondContact O-N 3.48Å; S151-N153 WeakPolarHBondContact OG-CB 3.11Å; N153-C157 WeakPolarHBondContact O-CB 3.45Å; N153-C157 PolarHBondContact O-N 3.47Å
154T93.9Very high94.2Very high12 Ų1226.5 Ų26.57%0.07416%0.156CC..Hα-helixtrans-76.8-40.8-175.5-57.80000111.4D146 N148 S151 I152 N158D146-T154 PolarHBondContact N-OG1 3.34Å; D146-T154 PolarHBondContact OD1-OG1 3.02Å; N148-T154 WeakPolarHBondContact O-CB 3.24Å; N148-T154 PolarHBondContact O-OG1 3.11Å; S151-T154 PolarHBondContact O-N 3.37Å; S151-T154 VanDerWaalsContact O-N 3.17Å; S151-T154 PolarHBondContact OG-N 3.21Å; S151-T154 VanDerWaalsContact OG-N 3.17Å; S151-T154 PolarHBondContact OG-OG1 3.15Å; I152-T154 PolarHBondContact O-N 3.05Å; T154-N158 WeakPolarHBondContact CG2-ND2 3.42Å; T154-N158 VanDerWaalsContact O-CB 3.25Å; T154-N158 WeakPolarHBondContact O-CB 3.42Å; T154-N158 VanDerWaalsContact O-CG 3.24Å; T154-N158 PolarHBondContact O-N 3.31Å; T154-N158 VanDerWaalsContact O-N 3.08Å; T154-N158 PolarHBondContact O-ND2 3.04Å
155V95.9Very high94.6Very high20 Ų2024.6 Ų24.612%0.12115%0.146CC..Hα-helixtrans-65.5-51-176.7174.60000111.3M104 Q109 P149 S151 N158 A159M104-V155 HydrophobicContact CB-CB 4.1Å; M104-V155 HydrophobicContact CB-CG1 4.19Å; M104-V155 HydrophobicContact CB-CG2 4.11Å; M104-V155 HydrophobicContact CE-CB 4.36Å; M104-V155 HydrophobicContact CE-CG1 4.18Å; M104-V155 HydrophobicContact CG-CB 4.32Å; M104-V155 HydrophobicContact CG-CG1 3.92Å; Q109-V155 HydrophobicContact CG-CG1 3.93Å; P149-V155 WeakPolarHBondContact O-CG2 3.37Å; S151-V155 WeakPolarHBondContact O-CB 3.13Å; S151-V155 VanDerWaalsContact O-CG2 3.26Å; S151-V155 WeakPolarHBondContact O-CG2 3.48Å; S151-V155 PolarHBondContact O-N 3.37Å; V155-N158 PolarHBondContact O-N 3.41Å; V155-A159 VanDerWaalsContact O-CB 3.32Å; V155-A159 WeakPolarHBondContact O-CB 3.32Å; V155-A159 PolarHBondContact O-N 3.27Å
156E95.9Very high95Very high1 Ų130.7 Ų30.71%0.00517%0.169CC..Hα-helixtrans-65-47.4-177.9179.867-173.100111.4Y90 C92 L95 M104 C143 I152 N158 A159 V160Y90-E156 VanDerWaalsContact CE1-OE1 3.27Å; Y90-E156 WeakPolarHBondContact CE1-OE1 3.5Å; Y90-E156 PolarHBondContact OH-OE1 3.4Å; C92-E156 WeakPolarHBondContact CB-OE1 3.21Å; L95-E156 HydrophobicContact CD1-CB 3.88Å; L95-E156 HydrophobicContact CD1-CG 3.63Å; L95-E156 WeakPolarHBondContact CD1-OE2 3.08Å; M104-E156 HydrophobicContact CE-CB 4.21Å; C143-E156 HydrophobicContact CB-CB 3.86Å; C143-E156 HydrophobicContact CB-CG 4.05Å; I152-E156 VanDerWaalsContact O-CB 3.22Å; I152-E156 WeakPolarHBondContact O-CB 3.22Å; I152-E156 PolarHBondContact O-N 3.07Å; E156-N158 VanDerWaalsContact C-N 3.35Å; E156-N158 PolarHBondContact O-N 3.28Å; E156-A159 WeakPolarHBondContact O-CB 3.11Å; E156-A159 PolarHBondContact O-N 3.27Å; E156-A159 VanDerWaalsContact O-N 3.12Å; E156-V160 WeakPolarHBondContact O-CG2 3.33Å; E156-V160 PolarHBondContact O-N 3.48Å
157C94.9Very high95.4Very high0 Ų029 Ų290%016%0.16CC..Hα-helixtrans-61.8-44.3-179.5-92.20000111.5C143 P145 N153 A159 V160 L161C143-C157 HydrophobicContact CB-CB 3.92Å; C143-C157 WeakPolarHBondContact CB-SG 3.34Å; C143-C157 PolarHBondContact O-SG 2.88Å; C143-C157 WeakPolarHBondContact SG-CA 3.48Å; C143-C157 WeakPolarHBondContact SG-CB 3.46Å; C143-C157 PolarHBondContact SG-N 3.39Å; C143-C157 VanDerWaalsContact SG-N 3.37Å; C143-C157 CovalentContact SG-SG 2.05Å; C143-C157 PolarHBondContact SG-SG 2.95Å; P145-C157 HydrophobicContact CG-CB 3.94Å; N153-C157 WeakPolarHBondContact O-CB 3.45Å; N153-C157 PolarHBondContact O-N 3.47Å; C157-A159 VanDerWaalsContact C-N 3.32Å; C157-A159 PolarHBondContact O-N 3.43Å; C157-V160 PolarHBondContact O-N 3.45Å; C157-L161 WeakPolarHBondContact O-CB 3.37Å; C157-L161 WeakPolarHBondContact O-CD1 3.4Å; C157-L161 WeakPolarHBondContact O-CG 3.31Å; C157-L161 PolarHBondContact O-N 3.28Å
158N95.7Very high96Very high22 Ų2230 Ų3012%0.11815%0.152CC..Hα-helixtrans-65.1-37.3175.8-73.8-21.4000111.6T154 V155 E156 N162 S192T154-N158 WeakPolarHBondContact CG2-ND2 3.42Å; T154-N158 VanDerWaalsContact O-CB 3.25Å; T154-N158 WeakPolarHBondContact O-CB 3.42Å; T154-N158 VanDerWaalsContact O-CG 3.24Å; T154-N158 PolarHBondContact O-N 3.31Å; T154-N158 VanDerWaalsContact O-N 3.08Å; T154-N158 PolarHBondContact O-ND2 3.04Å; V155-N158 PolarHBondContact O-N 3.41Å; E156-N158 VanDerWaalsContact C-N 3.35Å; E156-N158 PolarHBondContact O-N 3.28Å; N158-N162 WeakPolarHBondContact O-CB 3.24Å; N158-N162 PolarHBondContact O-N 2.82Å; N158-N162 PolarHBondContact O-ND2 2.88Å; N158-S192 VanDerWaalsContact OD1-CB 3.29Å; N158-S192 WeakPolarHBondContact OD1-CB 3.35Å; N158-S192 PolarHBondContact OD1-OG 2.82Å
159A96.8Very high96.2Very high10 Ų1027.4 Ų27.48%0.08314%0.138CC..Hα-helixtrans-61.6-48.6176.300000112.1D113 L117 V155 E156 C157 N162 A163D113-A159 HydrophobicContact CB-CB 4.5Å; D113-A159 WeakPolarHBondContact OD1-CB 3.44Å; L117-A159 HydrophobicContact CD2-CB 4.33Å; V155-A159 VanDerWaalsContact O-CB 3.32Å; V155-A159 WeakPolarHBondContact O-CB 3.32Å; V155-A159 PolarHBondContact O-N 3.27Å; E156-A159 WeakPolarHBondContact O-CB 3.11Å; E156-A159 PolarHBondContact O-N 3.27Å; E156-A159 VanDerWaalsContact O-N 3.12Å; C157-A159 VanDerWaalsContact C-N 3.32Å; C157-A159 PolarHBondContact O-N 3.43Å; A159-N162 PolarHBondContact O-N 2.92Å; A159-A163 WeakPolarHBondContact O-CB 3.45Å; A159-A163 PolarHBondContact O-N 3.35Å
160V97.6Very high96.4Very high2 Ų226 Ų261%0.01213%0.131CC..Hα-helixtrans-62.5-48.8178179.10000111.2Y90 L117 L137 F140 E156 C157 N162 A163 A164Y90-V160 HydrophobicContact CD1-CG1 4.45Å; Y90-V160 HydrophobicContact CD1-CG2 3.79Å; Y90-V160 HydrophobicContact CE1-CG2 3.47Å; Y90-V160 VanDerWaalsContact CE1-CG2 3.47Å; L117-V160 HydrophobicContact CD1-CG2 4.25Å; L117-V160 HydrophobicContact CD2-CG2 4.43Å; L137-V160 HydrophobicContact CD2-CG1 3.93Å; F140-V160 HydrophobicContact CB-CG1 4.16Å; F140-V160 HydrophobicContact CD1-CG1 4.34Å; F140-V160 HydrophobicContact CD2-CB 3.94Å; F140-V160 HydrophobicContact CD2-CG1 3.51Å; F140-V160 HydrophobicContact CD2-CG2 4.27Å; F140-V160 HydrophobicContact CE2-CB 4.19Å; F140-V160 HydrophobicContact CE2-CG1 3.94Å; F140-V160 HydrophobicContact CG-CG1 3.73Å; E156-V160 WeakPolarHBondContact O-CG2 3.33Å; E156-V160 PolarHBondContact O-N 3.48Å; C157-V160 PolarHBondContact O-N 3.45Å; V160-N162 PolarHBondContact O-N 2.82Å; V160-A163 CarbonylContact O-C 3.45Å; V160-A163 WeakPolarHBondContact O-CB 3.21Å; V160-A163 PolarHBondContact O-N 3.1Å; V160-A163 VanDerWaalsContact O-N 3.15Å; V160-A164 WeakPolarHBondContact O-CB 3.49Å; V160-A164 PolarHBondContact O-N 3.14Å
161L97.2Very high96.5Very high0 Ų024.2 Ų24.20%012%0.119CC..Hα-helixtrans-64.5-40.6-179.4-67.8170.3000112.1F140 C157 A163 A164 D165 W171 S192 F193F140-L161 HydrophobicContact CE2-CD2 4.45Å; F140-L161 HydrophobicContact CE2-CG 4.49Å; F140-L161 HydrophobicContact CZ-CD2 3.81Å; F140-L161 HydrophobicContact CZ-CG 4.31Å; C157-L161 WeakPolarHBondContact O-CB 3.37Å; C157-L161 WeakPolarHBondContact O-CD1 3.4Å; C157-L161 WeakPolarHBondContact O-CG 3.31Å; C157-L161 PolarHBondContact O-N 3.28Å; L161-A163 VanDerWaalsContact C-N 3.33Å; L161-A163 PolarHBondContact O-N 3.04Å; L161-A164 WeakPolarHBondContact O-CB 3.38Å; L161-A164 PolarHBondContact O-N 3.46Å; L161-D165 PolarHBondContact O-N 3.33Å; L161-W171 HydrophobicContact CD2-CD2 3.87Å; L161-W171 HydrophobicContact CD2-CE3 4.35Å; L161-W171 HydrophobicContact CD2-CG 4.47Å; L161-W171 HydrophobicContact CD2-CH2 3.91Å; L161-W171 HydrophobicContact CD2-CZ2 3.38Å; L161-W171 HydrophobicContact CD2-CZ3 4.36Å; L161-S192 WeakPolarHBondContact CD1-O 3.4Å; L161-F193 HydrophobicContact CD1-CD1 3.98Å; L161-F193 HydrophobicContact CD1-CE1 4.21Å; L161-F193 HydrophobicContact CD2-CD1 4.46Å
162N97.5Very high96.5Very high49 Ų4927.2 Ų27.226%0.26214%0.138SC..Hα-helixtrans-66.5-36.4174.4-70.3-25.4000111.5N158 A159 V160 R166 R195N158-N162 WeakPolarHBondContact O-CB 3.24Å; N158-N162 PolarHBondContact O-N 2.82Å; N158-N162 PolarHBondContact O-ND2 2.88Å; A159-N162 PolarHBondContact O-N 2.92Å; V160-N162 PolarHBondContact O-N 2.82Å; N162-R166 VanDerWaalsContact O-CG 3.32Å; N162-R166 WeakPolarHBondContact O-CG 3.42Å; N162-R166 PolarHBondContact O-N 2.82Å; N162-R166 VanDerWaalsContact O-N 3.07Å; N162-R166 PolarHBondContact O-NH1 2.87Å; N162-R195 PolarHBondContact OD1-NH2 2.55Å
163A97.8Very high96.5Very high0 Ų029.6 Ų29.60%015%0.147CC..Hα-helixtrans-68-37.3174.200000111.8L117 F121 A159 V160 L161 R166 N167L117-A163 HydrophobicContact CD1-CB 4.18Å; L117-A163 HydrophobicContact CD2-CB 3.57Å; L117-A163 HydrophobicContact CG-CB 3.81Å; F121-A163 HydrophobicContact CZ-CB 4.43Å; A159-A163 WeakPolarHBondContact O-CB 3.45Å; A159-A163 PolarHBondContact O-N 3.35Å; V160-A163 CarbonylContact O-C 3.45Å; V160-A163 WeakPolarHBondContact O-CB 3.21Å; V160-A163 PolarHBondContact O-N 3.1Å; V160-A163 VanDerWaalsContact O-N 3.15Å; L161-A163 VanDerWaalsContact C-N 3.33Å; L161-A163 PolarHBondContact O-N 3.04Å; A163-R166 PolarHBondContact O-N 3.28Å; A163-N167 WeakPolarHBondContact O-CB 3.27Å; A163-N167 PolarHBondContact O-N 3.27Å; A163-N167 PolarHBondContact O-ND2 2.93Å
164A98.1Very high96.4Very high1 Ų135 Ų351%0.00817%0.166CC..Hα-helixtrans-59.6-49174.200000111.5F121 V160 L161 R166 N167 F168 E169F121-A164 HydrophobicContact CE1-CB 4.41Å; V160-A164 WeakPolarHBondContact O-CB 3.49Å; V160-A164 PolarHBondContact O-N 3.14Å; L161-A164 WeakPolarHBondContact O-CB 3.38Å; L161-A164 PolarHBondContact O-N 3.46Å; A164-R166 PolarHBondContact O-N 3.4Å; A164-N167 CarbonylContact O-C 3.53Å; A164-N167 PolarHBondContact O-N 2.87Å; A164-N167 VanDerWaalsContact O-N 3.16Å; A164-F168 PolarHBondContact O-N 3.24Å; A164-E169 HydrophobicContact CB-CB 4.27Å; A164-E169 PolarHBondContact O-N 3.34Å
165D98Very high95.6Very high11 Ų1138.5 Ų38.56%0.05918%0.184CC..Hα-helixtrans-57.6-51.5174.9-71.8-14.5000111.8L161 N167 F168 R195 L208L161-D165 PolarHBondContact O-N 3.33Å; D165-N167 PolarHBondContact O-N 2.91Å; D165-N167 VanDerWaalsContact O-N 3.09Å; D165-F168 PolarHBondContact O-N 3.43Å; D165-F168 VanDerWaalsContact O-N 3.09Å; D165-R195 IonicContact OD1-NE 3.72Å; D165-R195 IonicContact OD2-CZ 2.73Å; D165-R195 IonicContact OD2-NE 3.88Å; D165-R195 PolarHBondContact OD2-NE 3.48Å; D165-R195 IonicContact OD2-NH2 2.59Å; D165-R195 PolarHBondContact OD2-NH2 2.88Å; D165-L208 HydrophobicContact CB-CD2 4.17Å; D165-L208 HydrophobicContact CB-CG 4.03Å
166R97.3Very high94Very high130 Ų13038 Ų3849%0.49118%0.183SC..Hα-helixtrans-57.9-27.6179.2-75.1-169.9-54.9-90.37.3113.2N162 A163 A164N162-R166 VanDerWaalsContact O-CG 3.32Å; N162-R166 WeakPolarHBondContact O-CG 3.42Å; N162-R166 PolarHBondContact O-N 2.82Å; N162-R166 VanDerWaalsContact O-N 3.07Å; N162-R166 PolarHBondContact O-NH1 2.87Å; A163-R166 PolarHBondContact O-N 3.28Å; A164-R166 PolarHBondContact O-N 3.4Å
167N97.2Very high92.5Very high19 Ų1946.8 Ų46.810%0.10222%0.218CC..Hα-helixtrans-103.90.9-177.5-74.5-82.9000113.2F121 R125 R135 A163 A164 D165 E169F121-N167 HydrophobicContact CD1-CB 3.5Å; F121-N167 WeakPolarHBondContact CD1-ND2 3.2Å; F121-N167 HydrophobicContact CE1-CB 4.08Å; R125-N167 PolarHBondContact NH2-OD1 2.71Å; R135-N167 PolarHBondContact NH1-O 2.9Å; R135-N167 PolarHBondContact NH2-O 3.46Å; A163-N167 WeakPolarHBondContact O-CB 3.27Å; A163-N167 PolarHBondContact O-N 3.27Å; A163-N167 PolarHBondContact O-ND2 2.93Å; A164-N167 CarbonylContact O-C 3.53Å; A164-N167 PolarHBondContact O-N 2.87Å; A164-N167 VanDerWaalsContact O-N 3.16Å; D165-N167 PolarHBondContact O-N 2.91Å; D165-N167 VanDerWaalsContact O-N 3.09Å; N167-E169 HydrophobicContact CB-CB 4.45Å; N167-E169 PolarHBondContact O-N 3.45Å
168F97.1Very high90.9Very high65 Ų6554.6 Ų54.629%0.28525%0.254SS..THydrogen-bonded Turntrans49.246.1-169.5-63.4-77.6000112.3A164 D165 P205 V206 Q207 L208 Y219A164-F168 PolarHBondContact O-N 3.24Å; D165-F168 PolarHBondContact O-N 3.43Å; D165-F168 VanDerWaalsContact O-N 3.09Å; F168-P205 HydrophobicContact CD1-CB 3.63Å; F168-P205 HydrophobicContact CD1-CG 4.4Å; F168-P205 HydrophobicContact CD2-CB 4.27Å; F168-P205 HydrophobicContact CE1-CB 3.29Å; F168-P205 HydrophobicContact CE1-CG 4.39Å; F168-P205 HydrophobicContact CE2-CB 3.98Å; F168-P205 HydrophobicContact CG-CB 4.09Å; F168-P205 HydrophobicContact CZ-CB 3.45Å; F168-P205 VanDerWaalsContact CZ-CB 3.45Å; F168-V206 WeakPolarHBondContact CE2-O 3.46Å; F168-Q207 VanDerWaalsContact CZ-C 3.41Å; F168-L208 HydrophobicContact CD1-CB 4.13Å; F168-L208 HydrophobicContact CD1-CD2 4.2Å; F168-L208 HydrophobicContact CE1-CB 3.41Å; F168-L208 VanDerWaalsContact CE1-CB 3.41Å; F168-L208 HydrophobicContact CE1-CD2 4.16Å; F168-L208 HydrophobicContact CE1-CG 4.41Å; F168-L208 HydrophobicContact CZ-CB 3.75Å; F168-Y219 HydrophobicContact CE1-CD2 4.34Å; F168-Y219 AromaticContact CE1-CE2 3.78Å; F168-Y219 HydrophobicContact CE1-CE2 3.78Å; F168-Y219 HydrophobicContact CZ-CE2 4.25Å
169E97.5Very high89.3Confident10 Ų1054.6 Ų54.65%0.04725%0.254CS..  trans-98.8126.2176.8-171.466.2-10300109.3Y88 F121 R135 F136 L137 A164 N167Y88-E169 VanDerWaalsContact OH-CG 3.25Å; Y88-E169 WeakPolarHBondContact OH-CG 3.35Å; Y88-E169 PolarHBondContact OH-OE2 3.47Å; F121-E169 HydrophobicContact CD1-CB 4.19Å; F121-E169 HydrophobicContact CD1-CG 4.41Å; F121-E169 HydrophobicContact CE1-CB 3.52Å; F121-E169 HydrophobicContact CE1-CG 3.7Å; F121-E169 HydrophobicContact CZ-CB 4.43Å; F121-E169 HydrophobicContact CZ-CG 4.26Å; R135-E169 WeakPolarHBondContact CD-OE2 3.33Å; R135-E169 WeakPolarHBondContact CG-OE1 3.48Å; R135-E169 WeakPolarHBondContact CG-OE2 3.49Å; R135-E169 IonicContact CZ-OE2 3.36Å; R135-E169 IonicContact NE-OE2 3.6Å; R135-E169 IonicContact NH1-OE2 3.41Å; R135-E169 PolarHBondContact NH1-OE2 3.12Å; F136-E169 WeakPolarHBondContact CA-OE1 3.07Å; F136-E169 PolarHBondContact N-OE1 2.97Å; L137-E169 HydrophobicContact CB-CG 3.9Å; L137-E169 PolarHBondContact N-OE1 2.77Å; A164-E169 HydrophobicContact CB-CB 4.27Å; A164-E169 PolarHBondContact O-N 3.34Å; N167-E169 HydrophobicContact CB-CB 4.45Å; N167-E169 PolarHBondContact O-N 3.45Å
170S97.7Very high87.7Confident68 Ų6861.6 Ų61.648%0.47628%0.283SS..  trans-79.5150.8168.9-610000109.8L137L137-S170 WeakPolarHBondContact CB-O 3.48Å; L137-S170 PolarHBondContact N-O 3.07Å
171W97.5Very high86.1Confident71 Ų7165.8 Ų65.827%0.26931%0.312SS..BIsolated β-bridgetrans-143156.3-172.854.2-95.4000113.4L137 F140 L161 F193L137-W171 HydrophobicContact CB-CB 4.05Å; L137-W171 HydrophobicContact CD2-CB 4.05Å; L137-W171 HydrophobicContact CG-CB 4.2Å; L137-W171 CarbonylContact O-C 3.56Å; L137-W171 WeakPolarHBondContact O-CA 3.47Å; F140-W171 HydrophobicContact CD1-CB 4.35Å; F140-W171 HydrophobicContact CE1-CB 3.98Å; F140-W171 AromaticContact CE1-CD2 3.93Å; F140-W171 HydrophobicContact CE1-CD2 3.93Å; F140-W171 AromaticContact CE1-CE3 3.57Å; F140-W171 HydrophobicContact CE1-CE3 3.57Å; F140-W171 HydrophobicContact CE1-CG 4.13Å; F140-W171 HydrophobicContact CE1-CZ3 4.35Å; F140-W171 HydrophobicContact CZ-CD2 4.33Å; F140-W171 AromaticContact CZ-CE3 3.99Å; F140-W171 HydrophobicContact CZ-CE3 3.99Å; F140-W171 HydrophobicContact CZ-CZ3 4.4Å; L161-W171 HydrophobicContact CD2-CD2 3.87Å; L161-W171 HydrophobicContact CD2-CE3 4.35Å; L161-W171 HydrophobicContact CD2-CG 4.47Å; L161-W171 HydrophobicContact CD2-CH2 3.91Å; L161-W171 HydrophobicContact CD2-CZ2 3.38Å; L161-W171 HydrophobicContact CD2-CZ3 4.36Å; W171-F193 HydrophobicContact CH2-CB 4.42Å; W171-F193 AromaticContact CH2-CD1 3.91Å; W171-F193 HydrophobicContact CH2-CD1 3.91Å; W171-F193 HydrophobicContact CZ3-CD1 4.1Å
172T95.6Very high84.5Confident64 Ų6471.6 Ų71.639%0.39334%0.344SS..  trans-127.9130.4163.238.80000109.1F136 L137 T138 E139F136-T172 HydrophobicContact CE1-CG2 3.94Å; F136-T172 HydrophobicContact CZ-CG2 4.23Å; L137-T172 PolarHBondContact O-N 3.26Å; T138-T172 WeakPolarHBondContact CA-OG1 3.39Å; T138-T172 PolarHBondContact O-OG1 2.97Å; E139-T172 WeakPolarHBondContact CA-O 3.39Å
173Y94Very high83Confident49 Ų4972.5 Ų72.519%0.19235%0.348CS..  trans-86145.4-177168.2-100.9000111.5F140 C143 D175 L179 F193F140-Y173 HydrophobicContact CD2-CD2 4.28Å; F140-Y173 HydrophobicContact CE1-CD2 4.34Å; F140-Y173 AromaticContact CE2-CD2 3.82Å; F140-Y173 HydrophobicContact CE2-CD2 3.82Å; F140-Y173 AromaticContact CZ-CD2 3.86Å; F140-Y173 HydrophobicContact CZ-CD2 3.86Å; F140-Y173 HydrophobicContact CZ-CG 4.35Å; F140-Y173 WeakPolarHBondContact O-CD2 3.33Å; C143-Y173 VanDerWaalsContact O-CE2 3.25Å; C143-Y173 WeakPolarHBondContact O-CE2 3.33Å; C143-Y173 PolarHBondContact O-OH 2.7Å; Y173-D175 WeakPolarHBondContact CE1-O 3.43Å; Y173-L179 HydrophobicContact CE1-CD1 4.13Å; Y173-F193 HydrophobicContact CD1-CE1 4.35Å; Y173-F193 HydrophobicContact CD1-CZ 4.11Å; Y173-F193 AromaticContact CD2-CE1 3.63Å; Y173-F193 HydrophobicContact CD2-CE1 3.63Å; Y173-F193 AromaticContact CD2-CZ 3.61Å; Y173-F193 HydrophobicContact CD2-CZ 3.61Å; Y173-F193 HydrophobicContact CE1-CZ 4.18Å; Y173-F193 HydrophobicContact CE2-CE1 4.19Å; Y173-F193 AromaticContact CE2-CZ 3.69Å; Y173-F193 HydrophobicContact CE2-CZ 3.69Å; Y173-F193 AromaticContact CG-CE1 3.72Å; Y173-F193 HydrophobicContact CG-CE1 3.72Å; Y173-F193 AromaticContact CG-CZ 3.83Å; Y173-F193 HydrophobicContact CG-CZ 3.83Å; Y173-F193 AromaticContact CZ-CZ 3.99Å
174W91.7Very high81.9Confident131 Ų13176.3 Ų76.350%0.49637%0.368SS..SBendtrans-113.9123.8175.5-172.7-85.9000112Y91 E139 F140Y91-W174 WeakPolarHBondContact OH-CB 3.25Å; E139-W174 HydrophobicContact CG-CB 3.45Å; E139-W174 VanDerWaalsContact CG-CB 3.45Å; E139-W174 HydrophobicContact CG-CD2 3.91Å; E139-W174 HydrophobicContact CG-CE3 3.75Å; E139-W174 HydrophobicContact CG-CG 3.82Å; F140-W174 PolarHBondContact O-N 3.14Å
175D76.4Confident80.6Confident85 Ų8580.7 Ų80.746%0.45540%0.395SS..  cis-119.7141.2-10.9-177.71.5000108.1Y173 Y177Y173-D175 WeakPolarHBondContact CE1-O 3.43Å; D175-Y177 VanDerWaalsContact C-N 3.28Å; D175-Y177 PolarHBondContact OD1-N 3.14Å
176G63.7Low79.4Confident10 Ų1088.2 Ų88.210%0.10343%0.429CS..  trans-78.9-7.4177.200000113.9E178 L179 F180G176-E178 VanDerWaalsContact C-N 3.33Å; G176-E178 PolarHBondContact O-N 2.85Å; G176-L179 WeakPolarHBondContact O-CB 3.45Å; G176-L179 PolarHBondContact O-N 3.01Å; G176-F180 WeakPolarHBondContact O-CD2 3.26Å; G176-F180 WeakPolarHBondContact O-CE2 3.22Å; G176-F180 PolarHBondContact O-N 2.87Å
177Y63.3Low78.6Confident186 Ų18683.9 Ų83.973%0.72942%0.416SS*.Hα-helixtrans-52.6-45.9-170-169-95.5000114D175D175-Y177 VanDerWaalsContact C-N 3.28Å; D175-Y177 PolarHBondContact OD1-N 3.14Å
178E61.1Low77.7Confident163 Ų16387 Ų8776%0.76243%0.432SS*.Hα-helixtrans-73.9-28.1179.3-63.8-169.1172.100113G176 S181G176-E178 VanDerWaalsContact C-N 3.33Å; G176-E178 PolarHBondContact O-N 2.85Å; E178-S181 PolarHBondContact O-OG 3.41Å
179L62.7Low77Confident22 Ų2284.4 Ų84.412%0.11542%0.422CS..Hα-helixtrans-65.8-52.2-179.2-70.9170.5000111L144 Y173 G176 S181 N182 L183L144-L179 HydrophobicContact CD1-CD1 3.79Å; L144-L179 HydrophobicContact CD1-CD2 3.74Å; L144-L179 HydrophobicContact CD1-CG 4.12Å; L144-L179 HydrophobicContact CD2-CD2 4.11Å; L144-L179 HydrophobicContact CG-CD2 4.5Å; Y173-L179 HydrophobicContact CE1-CD1 4.13Å; G176-L179 WeakPolarHBondContact O-CB 3.45Å; G176-L179 PolarHBondContact O-N 3.01Å; L179-S181 PolarHBondContact O-N 2.96Å; L179-N182 PolarHBondContact O-N 3.22Å; L179-L183 HydrophobicContact CB-CD1 4.44Å; L179-L183 HydrophobicContact CB-CD2 3.97Å; L179-L183 HydrophobicContact CB-CG 4.27Å; L179-L183 HydrophobicContact CD2-CD2 4.19Å; L179-L183 VanDerWaalsContact O-CG 3.27Å; L179-L183 WeakPolarHBondContact O-CG 3.15Å; L179-L183 PolarHBondContact O-N 3.17Å
180F62.7Low76.5Confident158 Ų15885.3 Ų85.369%0.69343%0.427SS*.Hα-helixtrans-57.9-31.7-164.4-71-65.2000115G176 N182 L183G176-F180 WeakPolarHBondContact O-CD2 3.26Å; G176-F180 WeakPolarHBondContact O-CE2 3.22Å; G176-F180 PolarHBondContact O-N 2.87Å; F180-N182 VanDerWaalsContact C-N 3.27Å; F180-N182 PolarHBondContact O-N 3.3Å; F180-L183 HydrophobicContact CD1-CD1 3.97Å; F180-L183 HydrophobicContact CE1-CD1 4.38Å
181S63.1Low76.1Confident89 Ų8985 Ų8562%0.62242%0.417SS*.THydrogen-bonded Turntrans-67.7-24.4-178.563.70000114.2E178 L179E178-S181 PolarHBondContact O-OG 3.41Å; L179-S181 PolarHBondContact O-N 2.96Å
182N63.9Low75.9Confident123 Ų12381.8 Ų81.866%0.65841%0.406SS*.THydrogen-bonded Turntrans-131.316.7-171.9-62.8-47.3000113.5L179 F180 N184L179-N182 PolarHBondContact O-N 3.22Å; F180-N182 VanDerWaalsContact C-N 3.27Å; F180-N182 PolarHBondContact O-N 3.3Å; N182-N184 PolarHBondContact O-N 3.17Å
183L67.7Low75.7Confident67 Ų6780.3 Ų80.335%0.35139%0.394SS..  trans-67.4104.4177.8-72.5-179.1000110.4L179 F180 L190L179-L183 HydrophobicContact CB-CD1 4.44Å; L179-L183 HydrophobicContact CB-CD2 3.97Å; L179-L183 HydrophobicContact CB-CG 4.27Å; L179-L183 HydrophobicContact CD2-CD2 4.19Å; L179-L183 VanDerWaalsContact O-CG 3.27Å; L179-L183 WeakPolarHBondContact O-CG 3.15Å; L179-L183 PolarHBondContact O-N 3.17Å; F180-L183 HydrophobicContact CD1-CD1 3.97Å; F180-L183 HydrophobicContact CE1-CD1 4.38Å; L183-L190 HydrophobicContact CD1-CD2 4.05Å; L183-L190 HydrophobicContact CD2-CD1 4.11Å; L183-L190 HydrophobicContact CD2-CD2 3.48Å; L183-L190 VanDerWaalsContact CD2-CD2 3.48Å; L183-L190 HydrophobicContact CD2-CG 3.79Å; L183-L190 HydrophobicContact CG-CD2 4.27Å
184N72.9Confident75.7Confident81 Ų8179 Ų7943%0.43339%0.391SS..  trans-107160.4158.371.613.7000109.2N182 E186 N187 L190N182-N184 PolarHBondContact O-N 3.17Å; N184-E186 PolarHBondContact O-N 3.08Å; N184-E186 VanDerWaalsContact O-N 3.09Å; N184-E186 PolarHBondContact OD1-N 2.92Å; N184-N187 VanDerWaalsContact O-CB 3.26Å; N184-N187 WeakPolarHBondContact O-CB 3.27Å; N184-N187 PolarHBondContact O-N 3.18Å; N184-N187 PolarHBondContact OD1-N 2.62Å; N184-L190 WeakPolarHBondContact O-CD1 3.27Å
185V71.8Confident75.9Confident93 Ų9372.9 Ų72.956%0.56437%0.369SS*.THydrogen-bonded Turntrans-61.4-16.6178.8-79.30000113.8N187V185-N187 VanDerWaalsContact C-N 3.33Å
186E72.8Confident76.9Confident168 Ų16868.9 Ų68.979%0.78535%0.347SS*.THydrogen-bonded Turntrans-84-8.9176.8-59.3-179.317100112.7N184 I188N184-E186 PolarHBondContact O-N 3.08Å; N184-E186 VanDerWaalsContact O-N 3.09Å; N184-E186 PolarHBondContact OD1-N 2.92Å; E186-I188 PolarHBondContact O-N 2.89Å; E186-I188 VanDerWaalsContact O-N 3.08Å
187N79.3Confident78.6Confident40 Ų4072.7 Ų72.721%0.21436%0.359CS..  trans-68.2111.9-179.1-171.3-31.2000109.7N184 V185 S189 L190N184-N187 VanDerWaalsContact O-CB 3.26Å; N184-N187 WeakPolarHBondContact O-CB 3.27Å; N184-N187 PolarHBondContact O-N 3.18Å; N184-N187 PolarHBondContact OD1-N 2.62Å; V185-N187 VanDerWaalsContact C-N 3.33Å; N187-S189 PolarHBondContact O-N 3.38Å; N187-S189 VanDerWaalsContact O-N 3.08Å; N187-S189 VanDerWaalsContact OD1-CB 3.24Å; N187-S189 WeakPolarHBondContact OD1-CB 3.46Å; N187-S189 PolarHBondContact OD1-N 3.18Å; N187-S189 PolarHBondContact OD1-OG 2.86Å; N187-L190 HydrophobicContact CB-CD1 4.26Å; N187-L190 HydrophobicContact CB-CG 4.22Å; N187-L190 VanDerWaalsContact O-CB 3.29Å; N187-L190 WeakPolarHBondContact O-CB 3.42Å; N187-L190 PolarHBondContact O-N 3.23Å
188I80.2Confident80.3Confident83 Ų8365 Ų6543%0.42633%0.331SS..THydrogen-bonded Turntrans-57.3-28.9-176.1-165.456.4000113G147 E186 L190 K191G147-I188 VanDerWaalsContact CA-CG1 3.43Å; E186-I188 PolarHBondContact O-N 2.89Å; E186-I188 VanDerWaalsContact O-N 3.08Å; I188-L190 PolarHBondContact O-N 2.99Å; I188-K191 HydrophobicContact CD1-CD 4.37Å; I188-K191 VanDerWaalsContact O-CB 3.3Å; I188-K191 WeakPolarHBondContact O-CB 3.17Å; I188-K191 PolarHBondContact O-N 3.39Å; I188-K191 VanDerWaalsContact O-N 3.11Å
189S80.8Confident82Confident12 Ų1261.7 Ų61.78%0.08432%0.316CS..Hα-helixtrans-59.8-33.2176.1-35.90000112.2P145 N187 K191 F193P145-S189 VanDerWaalsContact O-CA 3.28Å; P145-S189 WeakPolarHBondContact O-CA 3.35Å; P145-S189 WeakPolarHBondContact O-CB 3.24Å; P145-S189 PolarHBondContact O-OG 3.29Å; N187-S189 PolarHBondContact O-N 3.38Å; N187-S189 VanDerWaalsContact O-N 3.08Å; N187-S189 VanDerWaalsContact OD1-CB 3.24Å; N187-S189 WeakPolarHBondContact OD1-CB 3.46Å; N187-S189 PolarHBondContact OD1-N 3.18Å; N187-S189 PolarHBondContact OD1-OG 2.86Å; S189-K191 PolarHBondContact O-N 2.82Å; S189-F193 VanDerWaalsContact O-CD2 3.26Å; S189-F193 WeakPolarHBondContact O-CD2 3.45Å
190L86.8Confident83.7Confident28 Ų2862.7 Ų62.715%0.14733%0.325CS..Hα-helixtrans-67.2-23.7180-70.4179.5000112.8L183 N184 N187 I188 S192 F193 S194 I246L183-L190 HydrophobicContact CD1-CD2 4.05Å; L183-L190 HydrophobicContact CD2-CD1 4.11Å; L183-L190 HydrophobicContact CD2-CD2 3.48Å; L183-L190 VanDerWaalsContact CD2-CD2 3.48Å; L183-L190 HydrophobicContact CD2-CG 3.79Å; L183-L190 HydrophobicContact CG-CD2 4.27Å; N184-L190 WeakPolarHBondContact O-CD1 3.27Å; N187-L190 HydrophobicContact CB-CD1 4.26Å; N187-L190 HydrophobicContact CB-CG 4.22Å; N187-L190 VanDerWaalsContact O-CB 3.29Å; N187-L190 WeakPolarHBondContact O-CB 3.42Å; N187-L190 PolarHBondContact O-N 3.23Å; I188-L190 PolarHBondContact O-N 2.99Å; L190-S192 VanDerWaalsContact C-N 3.34Å; L190-S192 PolarHBondContact O-N 2.82Å; L190-F193 PolarHBondContact O-N 2.03Å; L190-S194 WeakPolarHBondContact O-CB 3.16Å; L190-S194 PolarHBondContact O-N 3.37Å; L190-S194 PolarHBondContact O-OG 3.41Å; L190-I246 HydrophobicContact CB-CD1 4.18Å
191K90.3Very high85.3Confident61 Ų6156.9 Ų56.927%0.26530%0.303SS..Hα-helixtrans-60-45.9-175.7-162.8-176.5-174-156.10111.1I188 S189 V212 D213 I246 H247I188-K191 HydrophobicContact CD1-CD 4.37Å; I188-K191 VanDerWaalsContact O-CB 3.3Å; I188-K191 WeakPolarHBondContact O-CB 3.17Å; I188-K191 PolarHBondContact O-N 3.39Å; I188-K191 VanDerWaalsContact O-N 3.11Å; S189-K191 PolarHBondContact O-N 2.82Å; K191-V212 HydrophobicContact CD-CG2 4.48Å; K191-V212 WeakPolarHBondContact CE-O 3.31Å; K191-V212 HydrophobicContact CG-CG2 4.01Å; K191-V212 PolarHBondContact NZ-O 3.43Å; K191-V212 WeakPolarHBondContact O-CG2 3.48Å; K191-D213 PolarHBondContact NZ-O 2.88Å; K191-I246 HydrophobicContact CG-CG2 4.41Å; K191-H247 VanDerWaalsContact CG-CE1 3.43Å; K191-H247 WeakPolarHBondContact CG-CE1 3.08Å; K191-H247 PolarHBondContact O-CE1 3.44Å; K191-H247 PolarHBondContact O-NE2 3.17Å
192S92Very high86.8Confident5 Ų554.4 Ų54.44%0.03529%0.287CS..Hα-helixtrans-68.5-41.2-180-62.30000113.5P145 N158 L161 L190 R195P145-S192 WeakPolarHBondContact CG-OG 3.38Å; N158-S192 VanDerWaalsContact OD1-CB 3.29Å; N158-S192 WeakPolarHBondContact OD1-CB 3.35Å; N158-S192 PolarHBondContact OD1-OG 2.82Å; L161-S192 WeakPolarHBondContact CD1-O 3.4Å; L190-S192 VanDerWaalsContact C-N 3.34Å; L190-S192 PolarHBondContact O-N 2.82Å; S192-R195 WeakPolarHBondContact O-CD 3.07Å; S192-R195 WeakPolarHBondContact O-CG 3.1Å; S192-R195 PolarHBondContact O-NH1 2.92Å
193F92.3Very high88.3Confident33 Ų3349.2 Ų49.215%0.14526%0.263CS..Hα-helixtrans-80.8-30.1-177.2-63.5-65.7000113.3F140 L144 P145 L161 W171 Y173 S189 L190 R195F140-F193 HydrophobicContact CE2-CE1 4.35Å; F140-F193 HydrophobicContact CZ-CE1 4.03Å; L144-F193 HydrophobicContact CD1-CE2 4.04Å; P145-F193 HydrophobicContact CG-CE2 4.39Å; L161-F193 HydrophobicContact CD1-CD1 3.98Å; L161-F193 HydrophobicContact CD1-CE1 4.21Å; L161-F193 HydrophobicContact CD2-CD1 4.46Å; W171-F193 HydrophobicContact CH2-CB 4.42Å; W171-F193 AromaticContact CH2-CD1 3.91Å; W171-F193 HydrophobicContact CH2-CD1 3.91Å; W171-F193 HydrophobicContact CZ3-CD1 4.1Å; Y173-F193 HydrophobicContact CD1-CE1 4.35Å; Y173-F193 HydrophobicContact CD1-CZ 4.11Å; Y173-F193 AromaticContact CD2-CE1 3.63Å; Y173-F193 HydrophobicContact CD2-CE1 3.63Å; Y173-F193 AromaticContact CD2-CZ 3.61Å; Y173-F193 HydrophobicContact CD2-CZ 3.61Å; Y173-F193 HydrophobicContact CE1-CZ 4.18Å; Y173-F193 HydrophobicContact CE2-CE1 4.19Å; Y173-F193 AromaticContact CE2-CZ 3.69Å; Y173-F193 HydrophobicContact CE2-CZ 3.69Å; Y173-F193 AromaticContact CG-CE1 3.72Å; Y173-F193 HydrophobicContact CG-CE1 3.72Å; Y173-F193 AromaticContact CG-CZ 3.83Å; Y173-F193 HydrophobicContact CG-CZ 3.83Å; Y173-F193 AromaticContact CZ-CZ 3.99Å; S189-F193 VanDerWaalsContact O-CD2 3.26Å; S189-F193 WeakPolarHBondContact O-CD2 3.45Å; L190-F193 PolarHBondContact O-N 2.03Å; F193-R195 VanDerWaalsContact C-N 3.27Å; F193-R195 PolarHBondContact O-N 2.87Å
194S93.4Very high89.7Confident20 Ų2052 Ų5214%0.1427%0.274CS..SBendtrans-81.775.4177.7-54.70000109.2L190 P243 I246 H247L190-S194 WeakPolarHBondContact O-CB 3.16Å; L190-S194 PolarHBondContact O-N 3.37Å; L190-S194 PolarHBondContact O-OG 3.41Å; S194-P243 VanDerWaalsContact O-CG 3.28Å; S194-P243 WeakPolarHBondContact O-CG 3.15Å; S194-I246 VanDerWaalsContact CB-CD1 3.47Å; S194-I246 WeakPolarHBondContact OG-CD1 3.09Å; S194-H247 PolarHBondContact O-CD2 2.81Å; S194-H247 PolarHBondContact O-NE2 3.27Å
195R96.7Very high90.9Very high4 Ų450.2 Ų50.22%0.01527%0.267CS..  trans-93153.2-177.4-53.417976.478.5-4110.6N162 D165 S192 F193 Y197 F210 F241N162-R195 PolarHBondContact OD1-NH2 2.55Å; D165-R195 IonicContact OD1-NE 3.72Å; D165-R195 IonicContact OD2-CZ 2.73Å; D165-R195 IonicContact OD2-NE 3.88Å; D165-R195 PolarHBondContact OD2-NE 3.48Å; D165-R195 IonicContact OD2-NH2 2.59Å; D165-R195 PolarHBondContact OD2-NH2 2.88Å; S192-R195 WeakPolarHBondContact O-CD 3.07Å; S192-R195 WeakPolarHBondContact O-CG 3.1Å; S192-R195 PolarHBondContact O-NH1 2.92Å; F193-R195 VanDerWaalsContact C-N 3.27Å; F193-R195 PolarHBondContact O-N 2.87Å; R195-Y197 WeakPolarHBondContact O-CD1 3.19Å; R195-F210 HydrophobicContact CB-CD1 3.62Å; R195-F210 HydrophobicContact CB-CE1 3.94Å; R195-F210 HydrophobicContact CB-CG 4.18Å; R195-F210 HydrophobicContact CG-CD1 3.8Å; R195-F210 HydrophobicContact CG-CE1 4.08Å; R195-F210 PolarHBondContact NH2-O 3.45Å; R195-F241 WeakPolarHBondContact O-CD1 3.26Å
196T98.3Very high92.1Very high0 Ų049.4 Ų49.40%026%0.262CS..  trans-78125.5163.1-60.90000108.9F217 I240 F241 V242 P243 Y248 I293T196-F217 HydrophobicContact CG2-CB 3.74Å; T196-F217 HydrophobicContact CG2-CD1 3.81Å; T196-F217 HydrophobicContact CG2-CD2 3.45Å; T196-F217 VanDerWaalsContact CG2-CD2 3.45Å; T196-F217 HydrophobicContact CG2-CE1 4.2Å; T196-F217 HydrophobicContact CG2-CE2 3.85Å; T196-F217 HydrophobicContact CG2-CG 3.38Å; T196-F217 HydrophobicContact CG2-CZ 4.19Å; T196-F217 WeakPolarHBondContact O-CD2 3.37Å; T196-F217 VanDerWaalsContact O-CE2 3.23Å; T196-F217 WeakPolarHBondContact O-CE2 3.41Å; T196-I240 HydrophobicContact CG2-CG2 3.74Å; T196-F241 VanDerWaalsContact CA-O 3.25Å; T196-F241 WeakPolarHBondContact CA-O 3.25Å; T196-F241 WeakPolarHBondContact CG2-O 3.13Å; T196-V242 HydrophobicContact CG2-CG2 4.12Å; T196-P243 WeakPolarHBondContact OG1-CD 3.22Å; T196-Y248 WeakPolarHBondContact OG1-CE2 3.44Å; T196-Y248 PolarHBondContact OG1-OH 3.45Å; T196-I293 HydrophobicContact CG2-CD1 4.17Å
197Y98.4Very high93.3Very high91 Ų9146.2 Ų46.236%0.35725%0.247SC..EExtended strand (participates in β ladder)trans-152.3151.3-178.473-83.2000112.5R195 Q199 I240 F241R195-Y197 WeakPolarHBondContact O-CD1 3.19Å; Y197-Q199 HydrophobicContact CD2-CG 4.33Å; Y197-Q199 HydrophobicContact CE2-CB 4.49Å; Y197-Q199 HydrophobicContact CE2-CG 3.56Å; Y197-Q199 PolarHBondContact O-N 2.91Å; Y197-Q199 PolarHBondContact OH-NE2 3.49Å; Y197-Q199 VanDerWaalsContact OH-NE2 3.15Å; Y197-I240 WeakPolarHBondContact O-CA 3.32Å; Y197-F241 HydrophobicContact CD1-CB 4.03Å; Y197-F241 AromaticContact CD1-CD1 3.92Å; Y197-F241 HydrophobicContact CD1-CD1 3.92Å; Y197-F241 HydrophobicContact CD1-CG 4.4Å; Y197-F241 HydrophobicContact CE1-CB 3.66Å; Y197-F241 AromaticContact CE1-CD1 3.49Å; Y197-F241 HydrophobicContact CE1-CD1 3.49Å; Y197-F241 VanDerWaalsContact CE1-CD1 3.49Å; Y197-F241 HydrophobicContact CE1-CE1 4.4Å; Y197-F241 AromaticContact CE1-CG 3.81Å; Y197-F241 HydrophobicContact CE1-CG 3.81Å; Y197-F241 PolarHBondContact N-O 3.12Å; Y197-F241 VanDerWaalsContact N-O 3.13Å; Y197-F241 PolarHBondContact O-N 3.4Å
198P98.3Very high94.2Very high23 Ų2345 Ų4515%0.14924%0.241CC..EExtended strand (participates in β ladder)trans-73.8119.2172.530.4-32.8000110.6Y219 E239P198-Y219 HydrophobicContact CB-CD1 4.06Å; P198-Y219 HydrophobicContact CB-CE1 3.63Å; P198-Y219 HydrophobicContact CG-CD1 4.11Å; P198-Y219 HydrophobicContact CG-CD2 4.17Å; P198-Y219 HydrophobicContact CG-CE1 3.8Å; P198-Y219 HydrophobicContact CG-CE2 3.94Å; P198-Y219 HydrophobicContact CG-CG 4.28Å; P198-E239 CarbonylContact C-O 3.23Å; P198-E239 WeakPolarHBondContact CA-O 3.45Å
199Q97.6Very high95.1Very high94 Ų9446.7 Ų46.744%0.43924%0.241SC..EExtended strand (participates in β ladder)trans-77.3-35.6170.8-71.6-168.3-29.700111.8Y197 E239 F241 L272Y197-Q199 HydrophobicContact CD2-CG 4.33Å; Y197-Q199 HydrophobicContact CE2-CB 4.49Å; Y197-Q199 HydrophobicContact CE2-CG 3.56Å; Y197-Q199 PolarHBondContact O-N 2.91Å; Y197-Q199 PolarHBondContact OH-NE2 3.49Å; Y197-Q199 VanDerWaalsContact OH-NE2 3.15Å; Q199-E239 PolarHBondContact N-O 2.91Å; Q199-F241 HydrophobicContact CG-CB 4.1Å; Q199-L272 VanDerWaalsContact OE1-CD2 3.26Å
200S97.4Very high95.9Very high43 Ų4346.2 Ų46.230%0.30124%0.238SC..EExtended strand (participates in β ladder)trans-142.2149.9176.6107.70000110.4A238 E239S200-A238 WeakPolarHBondContact O-CA 3.49Å; S200-E239 PolarHBondContact N-O 3.46Å; S200-E239 PolarHBondContact O-N 3.08Å; S200-E239 WeakPolarHBondContact OG-CG 3.25Å; S200-E239 PolarHBondContact OG-OE1 3.47Å
201T97.5Very high96.4Very high37 Ų3747.3 Ų47.323%0.22724%0.244CC..EExtended strand (participates in β ladder)trans-146.1129.4176.7-59.90000110.2G203 Y219 F221 V237T201-G203 PolarHBondContact O-N 2.89Å; T201-Y219 WeakPolarHBondContact CB-OH 3.47Å; T201-Y219 HydrophobicContact CG2-CE1 4.16Å; T201-Y219 VanDerWaalsContact CG2-OH 3.24Å; T201-Y219 WeakPolarHBondContact CG2-OH 3.41Å; T201-Y219 WeakPolarHBondContact OG1-CE1 3.29Å; T201-Y219 PolarHBondContact OG1-OH 2.73Å; T201-F221 HydrophobicContact CG2-CB 3.96Å; T201-F221 HydrophobicContact CG2-CD1 3.84Å; T201-F221 HydrophobicContact CG2-CD2 3.45Å; T201-F221 VanDerWaalsContact CG2-CD2 3.45Å; T201-F221 HydrophobicContact CG2-CE1 4.13Å; T201-F221 HydrophobicContact CG2-CE2 3.77Å; T201-F221 HydrophobicContact CG2-CG 3.47Å; T201-F221 VanDerWaalsContact CG2-CG 3.47Å; T201-F221 HydrophobicContact CG2-CZ 4.1Å; T201-V237 WeakPolarHBondContact CA-O 3.41Å
202A95.2Very high96.7Very high36 Ų3644.8 Ų44.830%0.29823%0.234SC..SBendtrans-8459173.400000111T224 V237A202-T224 PolarHBondContact O-N 3.37Å; A202-T224 PolarHBondContact O-OG1 2.8Å; A202-V237 PolarHBondContact N-O 2.92Å
203G95.4Very high96.7Very high14 Ų1450.3 Ų50.314%0.14426%0.263CS..EExtended strand (participates in β ladder)trans178.9-179.2-170.500000113.6T201 V222T201-G203 PolarHBondContact O-N 2.89Å; G203-V222 CarbonylContact C-O 3.43Å; G203-V222 WeakPolarHBondContact CA-O 3.24Å
204Q96.1Very high96.8Very high127 Ų12751.4 Ų51.459%0.59327%0.274SS*.EExtended strand (participates in β ladder)trans-96.4115.2173.1-17560.232.700109.6F221 V222Q204-F221 CarbonylContact O-C 3.56Å; Q204-F221 VanDerWaalsContact O-CA 3.28Å; Q204-F221 WeakPolarHBondContact O-CA 3.42Å; Q204-F221 WeakPolarHBondContact O-CB 3.46Å; Q204-V222 PolarHBondContact N-O 3.21Å; Q204-V222 PolarHBondContact O-N 3.03Å
205P97.7Very high97Very high42 Ų4250.5 Ų50.527%0.27327%0.268SS..EExtended strand (participates in β ladder)trans-59.7139.4177-21.532.2000112.2F168 Y219F168-P205 HydrophobicContact CD1-CB 3.63Å; F168-P205 HydrophobicContact CD1-CG 4.4Å; F168-P205 HydrophobicContact CD2-CB 4.27Å; F168-P205 HydrophobicContact CE1-CB 3.29Å; F168-P205 HydrophobicContact CE1-CG 4.39Å; F168-P205 HydrophobicContact CE2-CB 3.98Å; F168-P205 HydrophobicContact CG-CB 4.09Å; F168-P205 HydrophobicContact CZ-CB 3.45Å; F168-P205 VanDerWaalsContact CZ-CB 3.45Å; P205-Y219 HydrophobicContact CB-CE2 4.16Å
206V97.9Very high97.1Very high77 Ų7751.9 Ų51.947%0.46728%0.277SS..EExtended strand (participates in β ladder)trans-118-50-177.8175.20000111.5F168 A220 V222 L288F168-V206 WeakPolarHBondContact CE2-O 3.46Å; V206-A220 WeakPolarHBondContact CB-O 3.42Å; V206-A220 PolarHBondContact N-O 3.16Å; V206-V222 HydrophobicContact CG2-CG2 3.69Å; V206-L288 HydrophobicContact CB-CD1 4.24Å; V206-L288 HydrophobicContact CG1-CD1 4.39Å; V206-L288 HydrophobicContact CG2-CD1 3.97Å
207Q98.3Very high97.1Very high101 Ų10151.9 Ų51.947%0.47228%0.277SS..EExtended strand (participates in β ladder)trans-146.6138.8179.6-174.5173.74.200111.4F168 Y218 Y219 A220F168-Q207 VanDerWaalsContact CZ-C 3.41Å; Q207-Y218 HydrophobicContact CB-CE1 4.03Å; Q207-Y218 HydrophobicContact CG-CD1 4.17Å; Q207-Y218 HydrophobicContact CG-CE1 3.83Å; Q207-Y219 CarbonylContact O-C 3.6Å; Q207-Y219 WeakPolarHBondContact O-CA 3.43Å; Q207-Y219 VanDerWaalsContact O-CD2 3.27Å; Q207-Y219 WeakPolarHBondContact O-CD2 3.31Å; Q207-A220 HydrophobicContact CB-CB 4.36Å; Q207-A220 PolarHBondContact N-O 2.95Å; Q207-A220 VanDerWaalsContact N-O 3.13Å; Q207-A220 PolarHBondContact O-N 3.01Å
208L98.7Very high97.1Very high15 Ų1549.3 Ų49.38%0.07927%0.267CS..EExtended strand (participates in β ladder)trans-137.1134.8176.2171.764.2000109D165 F168 F217 Y219D165-L208 HydrophobicContact CB-CD2 4.17Å; D165-L208 HydrophobicContact CB-CG 4.03Å; F168-L208 HydrophobicContact CD1-CB 4.13Å; F168-L208 HydrophobicContact CD1-CD2 4.2Å; F168-L208 HydrophobicContact CE1-CB 3.41Å; F168-L208 VanDerWaalsContact CE1-CB 3.41Å; F168-L208 HydrophobicContact CE1-CD2 4.16Å; F168-L208 HydrophobicContact CE1-CG 4.41Å; F168-L208 HydrophobicContact CZ-CB 3.75Å; L208-F217 HydrophobicContact CD1-CD2 4.26Å; L208-F217 HydrophobicContact CD1-CE2 3.44Å; L208-F217 VanDerWaalsContact CD1-CE2 3.44Å; L208-F217 HydrophobicContact CD1-CZ 4.09Å; L208-Y219 HydrophobicContact CB-CD2 4.23Å; L208-Y219 HydrophobicContact CD1-CD2 4.19Å
209R98.3Very high97.1Very high117 Ų11748.3 Ų48.344%0.44226%0.26SS..EExtended strand (participates in β ladder)trans-149.5130.3173.7-173.3177.871.2930.8109.9D211 Y218R209-D211 IonicContact NH1-OD2 3.8Å; R209-Y218 PolarHBondContact N-O 3.22Å; R209-Y218 PolarHBondContact O-N 3.36Å
210F98.5Very high97.2Very high3 Ų343.9 Ų43.91%0.01324%0.24CC..EExtended strand (participates in β ladder)trans-121.6130.7166179-109.8000109.5R195 V212 F217 H247R195-F210 HydrophobicContact CB-CD1 3.62Å; R195-F210 HydrophobicContact CB-CE1 3.94Å; R195-F210 HydrophobicContact CB-CG 4.18Å; R195-F210 HydrophobicContact CG-CD1 3.8Å; R195-F210 HydrophobicContact CG-CE1 4.08Å; R195-F210 PolarHBondContact NH2-O 3.45Å; F210-V212 HydrophobicContact CE1-CB 4.31Å; F210-F217 HydrophobicContact CD2-CB 4.09Å; F210-F217 HydrophobicContact CD2-CD2 4.46Å; F210-H247 AromaticContact CE1-CE1 3.92Å; F210-H247 AromaticContact CE1-NE2 3.88Å; F210-H247 AromaticContact CZ-CD2 3.76Å; F210-H247 AromaticContact CZ-CE1 3.63Å; F210-H247 AromaticContact CZ-CG 3.8Å; F210-H247 AromaticContact CZ-ND1 3.74Å; F210-H247 AromaticContact CZ-NE2 3.65Å
211D97.3Very high97.2Very high50 Ų5041.8 Ų41.827%0.26723%0.225SC..  trans-100.3108.4175.6-173.1-67.9000108.7R209 D213 S214 G215 V216R209-D211 IonicContact NH1-OD2 3.8Å; D211-D213 PolarHBondContact O-N 3.15Å; D211-D213 PolarHBondContact OD1-N 3.41Å; D211-S214 VanDerWaalsContact CB-OG 3.31Å; D211-S214 WeakPolarHBondContact CB-OG 3.3Å; D211-S214 WeakPolarHBondContact OD1-CB 3.26Å; D211-S214 PolarHBondContact OD1-N 3.12Å; D211-S214 PolarHBondContact OD1-OG 3.5Å; D211-G215 WeakPolarHBondContact O-CA 3.44Å; D211-G215 PolarHBondContact O-N 3.37Å; D211-V216 HydrophobicContact CB-CB 4.44Å; D211-V216 PolarHBondContact N-O 3.31Å
212V94.7Very high97.1Very high8 Ų842.9 Ų42.95%0.04823%0.232CC..THydrogen-bonded Turntrans-65.4-27.3-174.765.50000112.8K191 F210 H247K191-V212 HydrophobicContact CD-CG2 4.48Å; K191-V212 WeakPolarHBondContact CE-O 3.31Å; K191-V212 HydrophobicContact CG-CG2 4.01Å; K191-V212 PolarHBondContact NZ-O 3.43Å; K191-V212 WeakPolarHBondContact O-CG2 3.48Å; F210-V212 HydrophobicContact CE1-CB 4.31Å; V212-H247 PolarHBondContact O-CE1 3.17Å; V212-H247 VanDerWaalsContact O-CE1 3.31Å
213D92.8Very high97Very high122 Ų12242 Ų4265%0.65222%0.223SC*.THydrogen-bonded Turntrans-81.4-47.1-175-67.9-39.5000111.2K191 D211K191-D213 PolarHBondContact NZ-O 2.88Å; D211-D213 PolarHBondContact O-N 3.15Å; D211-D213 PolarHBondContact OD1-N 3.41Å
214S95.4Very high96.8Very high55 Ų5545.6 Ų45.639%0.38524%0.242SC..THydrogen-bonded Turntrans-91-10.5-178.965.50000114.4D211 V216 P295D211-S214 VanDerWaalsContact CB-OG 3.31Å; D211-S214 WeakPolarHBondContact CB-OG 3.3Å; D211-S214 WeakPolarHBondContact OD1-CB 3.26Å; D211-S214 PolarHBondContact OD1-N 3.12Å; D211-S214 PolarHBondContact OD1-OG 3.5Å; S214-V216 PolarHBondContact O-N 2.98Å; S214-V216 VanDerWaalsContact O-N 3.17Å; S214-V216 WeakPolarHBondContact OG-CG2 3.43Å; S214-V216 PolarHBondContact OG-N 3.01Å; S214-P295 WeakPolarHBondContact O-CD 3.35Å; S214-P295 WeakPolarHBondContact O-CG 3.4Å
215G96.4Very high96.2Very high1 Ų144.1 Ų44.11%0.0124%0.235CC..  trans66.87.2-173.100000114D211 F217 Y248D211-G215 WeakPolarHBondContact O-CA 3.44Å; D211-G215 PolarHBondContact O-N 3.37Å; G215-F217 PolarHBondContact O-N 3.27Å; G215-Y248 VanDerWaalsContact O-CE1 3.23Å; G215-Y248 WeakPolarHBondContact O-CE1 3.39Å; G215-Y248 VanDerWaalsContact O-CZ 3.28Å; G215-Y248 PolarHBondContact O-OH 2.95Å
216V98.3Very high95.2Very high33 Ų3350.2 Ų50.220%0.226%0.257CS..  trans-74.3124.4-177.9177.30000109.9D211 S214 I294D211-V216 HydrophobicContact CB-CB 4.44Å; D211-V216 PolarHBondContact N-O 3.31Å; S214-V216 PolarHBondContact O-N 2.98Å; S214-V216 VanDerWaalsContact O-N 3.17Å; S214-V216 WeakPolarHBondContact OG-CG2 3.43Å; S214-V216 PolarHBondContact OG-N 3.01Å; V216-I294 HydrophobicContact CG2-CG2 4.35Å
217F98.8Very high94.2Very high0 Ų052.4 Ų52.40%027%0.267CS..EExtended strand (participates in β ladder)trans-111.7137177.4169.9-98.4000110.6T196 L208 F210 G215 Y219 I240 I291 T292 I293T196-F217 HydrophobicContact CG2-CB 3.74Å; T196-F217 HydrophobicContact CG2-CD1 3.81Å; T196-F217 HydrophobicContact CG2-CD2 3.45Å; T196-F217 VanDerWaalsContact CG2-CD2 3.45Å; T196-F217 HydrophobicContact CG2-CE1 4.2Å; T196-F217 HydrophobicContact CG2-CE2 3.85Å; T196-F217 HydrophobicContact CG2-CG 3.38Å; T196-F217 HydrophobicContact CG2-CZ 4.19Å; T196-F217 WeakPolarHBondContact O-CD2 3.37Å; T196-F217 VanDerWaalsContact O-CE2 3.23Å; T196-F217 WeakPolarHBondContact O-CE2 3.41Å; L208-F217 HydrophobicContact CD1-CD2 4.26Å; L208-F217 HydrophobicContact CD1-CE2 3.44Å; L208-F217 VanDerWaalsContact CD1-CE2 3.44Å; L208-F217 HydrophobicContact CD1-CZ 4.09Å; F210-F217 HydrophobicContact CD2-CB 4.09Å; F210-F217 HydrophobicContact CD2-CD2 4.46Å; G215-F217 PolarHBondContact O-N 3.27Å; F217-Y219 HydrophobicContact CZ-CD1 4.48Å; F217-Y219 HydrophobicContact CZ-CG 4.1Å; F217-I240 HydrophobicContact CE1-CD1 4.14Å; F217-I240 HydrophobicContact CE1-CG2 4.26Å; F217-I240 HydrophobicContact CZ-CD1 4.49Å; F217-I240 HydrophobicContact CZ-CG2 4.16Å; F217-I291 HydrophobicContact CE1-CG2 4.25Å; F217-T292 CarbonylContact O-C 3.55Å; F217-T292 VanDerWaalsContact O-CA 3.26Å; F217-T292 WeakPolarHBondContact O-CA 3.36Å; F217-T292 WeakPolarHBondContact O-CG2 3.38Å; F217-I293 HydrophobicContact CB-CB 4.15Å; F217-I293 HydrophobicContact CD1-CB 4.11Å; F217-I293 HydrophobicContact CD1-CD1 3.9Å; F217-I293 HydrophobicContact CD1-CG1 3.89Å; F217-I293 HydrophobicContact CE1-CD1 4.24Å; F217-I293 PolarHBondContact N-O 3.05Å; F217-I293 PolarHBondContact O-N 3.39Å
218Y98.8Very high93.3Very high38 Ų3849.5 Ų49.515%0.14926%0.257CS..EExtended strand (participates in β ladder)trans-132.3133171174.4-92.4000110.1Q207 R209 A220 E290 I291Q207-Y218 HydrophobicContact CB-CE1 4.03Å; Q207-Y218 HydrophobicContact CG-CD1 4.17Å; Q207-Y218 HydrophobicContact CG-CE1 3.83Å; R209-Y218 PolarHBondContact N-O 3.22Å; R209-Y218 PolarHBondContact O-N 3.36Å; Y218-A220 HydrophobicContact CE1-CB 4.03Å; Y218-E290 HydrophobicContact CE2-CB 4.22Å; Y218-E290 WeakPolarHBondContact CE2-OE1 3.48Å; Y218-E290 PolarHBondContact OH-OE1 3.37Å; Y218-I291 WeakPolarHBondContact CA-O 3.42Å
219Y98.8Very high92.3Very high1 Ų156.1 Ų56.10%0.00430%0.298CS..EExtended strand (participates in β ladder)trans-141.9135.4176.4179.1-134000111.5F168 P198 T201 P205 Q207 L208 F217 F221 E290 I291F168-Y219 HydrophobicContact CE1-CD2 4.34Å; F168-Y219 AromaticContact CE1-CE2 3.78Å; F168-Y219 HydrophobicContact CE1-CE2 3.78Å; F168-Y219 HydrophobicContact CZ-CE2 4.25Å; P198-Y219 HydrophobicContact CB-CD1 4.06Å; P198-Y219 HydrophobicContact CB-CE1 3.63Å; P198-Y219 HydrophobicContact CG-CD1 4.11Å; P198-Y219 HydrophobicContact CG-CD2 4.17Å; P198-Y219 HydrophobicContact CG-CE1 3.8Å; P198-Y219 HydrophobicContact CG-CE2 3.94Å; P198-Y219 HydrophobicContact CG-CG 4.28Å; T201-Y219 WeakPolarHBondContact CB-OH 3.47Å; T201-Y219 HydrophobicContact CG2-CE1 4.16Å; T201-Y219 VanDerWaalsContact CG2-OH 3.24Å; T201-Y219 WeakPolarHBondContact CG2-OH 3.41Å; T201-Y219 WeakPolarHBondContact OG1-CE1 3.29Å; T201-Y219 PolarHBondContact OG1-OH 2.73Å; P205-Y219 HydrophobicContact CB-CE2 4.16Å; Q207-Y219 CarbonylContact O-C 3.6Å; Q207-Y219 WeakPolarHBondContact O-CA 3.43Å; Q207-Y219 VanDerWaalsContact O-CD2 3.27Å; Q207-Y219 WeakPolarHBondContact O-CD2 3.31Å; L208-Y219 HydrophobicContact CB-CD2 4.23Å; L208-Y219 HydrophobicContact CD1-CD2 4.19Å; F217-Y219 HydrophobicContact CZ-CD1 4.48Å; F217-Y219 HydrophobicContact CZ-CG 4.1Å; Y219-F221 AromaticContact CD1-CD1 3.91Å; Y219-F221 HydrophobicContact CD1-CD1 3.91Å; Y219-F221 HydrophobicContact CD1-CE1 4.28Å; Y219-F221 AromaticContact CE1-CD1 3.42Å; Y219-F221 HydrophobicContact CE1-CD1 3.42Å; Y219-F221 VanDerWaalsContact CE1-CD1 3.42Å; Y219-F221 AromaticContact CE1-CE1 3.92Å; Y219-F221 HydrophobicContact CE1-CE1 3.92Å; Y219-F221 HydrophobicContact CE1-CG 4.27Å; Y219-F221 HydrophobicContact CE2-CB 4.47Å; Y219-F221 AromaticContact CZ-CD1 3.82Å; Y219-E290 CarbonylContact O-C 3.49Å; Y219-E290 WeakPolarHBondContact O-CA 3.5Å; Y219-I291 HydrophobicContact CD1-CD1 4.38Å; Y219-I291 PolarHBondContact N-O 3.42Å; Y219-I291 PolarHBondContact O-N 3.09Å
220A98.6Very high91.5Very high1 Ų154.6 Ų54.61%0.00830%0.299CS..EExtended strand (participates in β ladder)trans-133.6140.617600000111.9V206 Q207 Y218 L288 I289 E290V206-A220 WeakPolarHBondContact CB-O 3.42Å; V206-A220 PolarHBondContact N-O 3.16Å; Q207-A220 HydrophobicContact CB-CB 4.36Å; Q207-A220 PolarHBondContact N-O 2.95Å; Q207-A220 VanDerWaalsContact N-O 3.13Å; Q207-A220 PolarHBondContact O-N 3.01Å; Y218-A220 HydrophobicContact CE1-CB 4.03Å; A220-L288 HydrophobicContact CB-CD1 4.15Å; A220-L288 HydrophobicContact CB-CD2 4.47Å; A220-L288 HydrophobicContact CB-CG 4.39Å; A220-I289 CarbonylContact C-O 3.45Å; A220-I289 WeakPolarHBondContact CA-O 3.45Å; A220-E290 HydrophobicContact CB-CG 4.11Å
221F98Very high90.4Very high0 Ų057.9 Ų57.90%032%0.319CS..EExtended strand (participates in β ladder)trans-151.8154.3178.865.8-87.6000112.3T201 Q204 Y219 V237 A238 I289 I291T201-F221 HydrophobicContact CG2-CB 3.96Å; T201-F221 HydrophobicContact CG2-CD1 3.84Å; T201-F221 HydrophobicContact CG2-CD2 3.45Å; T201-F221 VanDerWaalsContact CG2-CD2 3.45Å; T201-F221 HydrophobicContact CG2-CE1 4.13Å; T201-F221 HydrophobicContact CG2-CE2 3.77Å; T201-F221 HydrophobicContact CG2-CG 3.47Å; T201-F221 VanDerWaalsContact CG2-CG 3.47Å; T201-F221 HydrophobicContact CG2-CZ 4.1Å; Q204-F221 CarbonylContact O-C 3.56Å; Q204-F221 VanDerWaalsContact O-CA 3.28Å; Q204-F221 WeakPolarHBondContact O-CA 3.42Å; Q204-F221 WeakPolarHBondContact O-CB 3.46Å; Y219-F221 AromaticContact CD1-CD1 3.91Å; Y219-F221 HydrophobicContact CD1-CD1 3.91Å; Y219-F221 HydrophobicContact CD1-CE1 4.28Å; Y219-F221 AromaticContact CE1-CD1 3.42Å; Y219-F221 HydrophobicContact CE1-CD1 3.42Å; Y219-F221 VanDerWaalsContact CE1-CD1 3.42Å; Y219-F221 AromaticContact CE1-CE1 3.92Å; Y219-F221 HydrophobicContact CE1-CE1 3.92Å; Y219-F221 HydrophobicContact CE1-CG 4.27Å; Y219-F221 HydrophobicContact CE2-CB 4.47Å; Y219-F221 AromaticContact CZ-CD1 3.82Å; F221-V237 HydrophobicContact CE2-CB 4.27Å; F221-V237 HydrophobicContact CZ-CB 3.96Å; F221-V237 HydrophobicContact CZ-CG2 4.08Å; F221-A238 HydrophobicContact CE1-CB 4.31Å; F221-A238 HydrophobicContact CZ-CB 4.45Å; F221-I289 HydrophobicContact CD1-CB 4.29Å; F221-I289 HydrophobicContact CD1-CG2 4.14Å; F221-I289 HydrophobicContact CD2-CB 4.43Å; F221-I289 HydrophobicContact CE1-CB 3.93Å; F221-I289 HydrophobicContact CE1-CG2 3.44Å; F221-I289 VanDerWaalsContact CE1-CG2 3.44Å; F221-I289 HydrophobicContact CE2-CB 4.09Å; F221-I289 HydrophobicContact CE2-CD1 3.71Å; F221-I289 HydrophobicContact CE2-CG1 4.43Å; F221-I289 HydrophobicContact CE2-CG2 4.33Å; F221-I289 HydrophobicContact CZ-CB 3.82Å; F221-I289 HydrophobicContact CZ-CD1 3.75Å; F221-I289 HydrophobicContact CZ-CG1 4.38Å; F221-I289 HydrophobicContact CZ-CG2 3.55Å; F221-I289 PolarHBondContact N-O 3.46Å; F221-I289 PolarHBondContact O-N 3.05Å; F221-I291 HydrophobicContact CE1-CD1 3.89Å
222V95.8Very high89.6Confident59 Ų5962.8 Ų62.836%0.35835%0.345SS..EExtended strand (participates in β ladder)trans-88.7118.6172.3-176.50000108.8G203 Q204 V206 T224 E287 L288G203-V222 CarbonylContact C-O 3.43Å; G203-V222 WeakPolarHBondContact CA-O 3.24Å; Q204-V222 PolarHBondContact N-O 3.21Å; Q204-V222 PolarHBondContact O-N 3.03Å; V206-V222 HydrophobicContact CG2-CG2 3.69Å; V222-T224 PolarHBondContact O-N 3.03Å; V222-E287 WeakPolarHBondContact CG1-O 3.37Å; V222-E287 WeakPolarHBondContact CG2-O 3.33Å; V222-L288 HydrophobicContact CG2-CD1 4.47Å
223P93.6Very high89.2Confident17 Ų1764.1 Ų64.111%0.1136%0.355CS..EExtended strand (participates in β ladder)trans-65.1133.9178.426.2-32.6000111I286 I289P223-I286 HydrophobicContact CG-CB 4.43Å; P223-I286 HydrophobicContact CG-CG2 4.26Å; P223-I289 HydrophobicContact CB-CD1 3.97Å; P223-I289 HydrophobicContact CG-CD1 4.05Å; P223-I289 HydrophobicContact CG-CG1 4.33Å
224T90.8Very high89.2Confident90 Ų9061.6 Ų61.655%0.55234%0.344SS*.  trans-91.8-23.6177.847.80000112.5A202 V222 K226A202-T224 PolarHBondContact O-N 3.37Å; A202-T224 PolarHBondContact O-OG1 2.8Å; V222-T224 PolarHBondContact O-N 3.03Å; T224-K226 PolarHBondContact O-N 3.01Å
225Q83.1Confident89Confident96 Ų9660.9 Ų60.945%0.44934%0.336SS..  trans-73.3110.4179.3-169.463.225.700110.7N227 L235Q225-N227 WeakPolarHBondContact CG-O 3.39Å; Q225-N227 PolarHBondContact NE2-O 3.41Å; Q225-L235 HydrophobicContact CB-CD1 4.4Å; Q225-L235 HydrophobicContact CG-CD1 3.69Å
226K75.7Confident88.9Confident170 Ų17064 Ų6474%0.73935%0.352SS*.  trans-100.9-6.8-178.6-64.4-167.4177.9-171.70115T224 I282T224-K226 PolarHBondContact O-N 3.01Å; K226-I282 WeakPolarHBondContact O-CG2 3.25Å
227N77.6Confident88.7Confident124 Ų12462.6 Ų62.666%0.66334%0.343SS*.  trans-132.2147.8-175.9-74.4-17.7000111.1Q225Q225-N227 WeakPolarHBondContact CG-O 3.39Å; Q225-N227 PolarHBondContact NE2-O 3.41Å
228C80.3Confident88.7Confident39 Ų3962.6 Ų62.626%0.26434%0.343SS..  trans-137.4138.5168.81790000110.4N230 S233 L235 C279 I282C228-N230 PolarHBondContact SG-O 3.25Å; C228-S233 PolarHBondContact SG-OG 2.81Å; C228-L235 HydrophobicContact CB-CD1 4.48Å; C228-C279 HydrophobicContact CB-CB 3.51Å; C228-C279 WeakPolarHBondContact CB-SG 3.36Å; C228-C279 WeakPolarHBondContact SG-CB 3.45Å; C228-C279 CovalentContact SG-SG 2.01Å; C228-C279 PolarHBondContact SG-SG 2.83Å; C228-I282 HydrophobicContact CB-CD1 3.35Å
229T76.6Confident88.6Confident154 Ų15463.4 Ų63.495%0.94535%0.348SS*.SBendtrans-79.3-27.8-175.748.30000112.6
230N81.3Confident88.6Confident86 Ų8663.4 Ų63.446%0.4635%0.348SS..  trans-131.4115.7179.2-176.5-10.1000110.6C228 N232 S233C228-N230 PolarHBondContact SG-O 3.25Å; N230-N232 PolarHBondContact O-N 3.23Å; N230-N232 VanDerWaalsContact O-N 3.13Å; N230-N232 PolarHBondContact OD1-N 3.33Å; N230-S233 WeakPolarHBondContact O-CB 3.21Å; N230-S233 PolarHBondContact O-N 3.03Å; N230-S233 PolarHBondContact O-OG 3Å
231V75.3Confident88.6Confident72 Ų7265.5 Ų65.544%0.43636%0.357SS..THydrogen-bonded Turntrans-59.9-27.2-177.2-174.10000112.7S233 T280V231-S233 VanDerWaalsContact C-N 3.31Å; V231-T280 HydrophobicContact CG1-CG2 3.84Å
232N80Confident88.6Confident152 Ų15265.5 Ų65.581%0.81336%0.357SS*.THydrogen-bonded Turntrans-86.60.6178.7-65.6-17.4000113.5N230N230-N232 PolarHBondContact O-N 3.23Å; N230-N232 VanDerWaalsContact O-N 3.13Å; N230-N232 PolarHBondContact OD1-N 3.33Å
233S88.1Confident88.6Confident37 Ų3762.9 Ų62.926%0.25934%0.341SS..  trans-89.8165.3177.968.90000112.2C228 N230 V231 C279C228-S233 PolarHBondContact SG-OG 2.81Å; N230-S233 WeakPolarHBondContact O-CB 3.21Å; N230-S233 PolarHBondContact O-N 3.03Å; N230-S233 PolarHBondContact O-OG 3Å; V231-S233 VanDerWaalsContact C-N 3.31Å; S233-C279 WeakPolarHBondContact O-CB 3.12Å; S233-C279 PolarHBondContact O-N 3.07Å; S233-C279 PolarHBondContact O-SG 3.37Å; S233-C279 PolarHBondContact OG-SG 3.15Å
234T91Very high88.6Confident69 Ų6964.1 Ų64.142%0.42335%0.346SS..EExtended strand (participates in β ladder)trans-120141.5173.558.60000109.2M277T234-M277 CarbonylContact C-O 3.58Å; T234-M277 WeakPolarHBondContact CA-O 2.96Å
235L91.9Very high88.6Confident40 Ų4063.3 Ų63.321%0.20935%0.345CS..EExtended strand (participates in β ladder)trans-101.5133.8178.9-62.6173.6000110Q225 C228 V237 Y276 M277 I282Q225-L235 HydrophobicContact CB-CD1 4.4Å; Q225-L235 HydrophobicContact CG-CD1 3.69Å; C228-L235 HydrophobicContact CB-CD1 4.48Å; L235-V237 HydrophobicContact CB-CG1 4.46Å; L235-V237 PolarHBondContact O-N 3.37Å; L235-Y276 CarbonylContact O-C 3.52Å; L235-Y276 WeakPolarHBondContact O-CA 3.49Å; L235-M277 HydrophobicContact CD1-CE 4.33Å; L235-M277 PolarHBondContact N-O 3.24Å; L235-M277 PolarHBondContact O-N 2.05Å; L235-I282 HydrophobicContact CD1-CD1 3.4Å; L235-I282 VanDerWaalsContact CD1-CD1 3.4Å; L235-I282 HydrophobicContact CD1-CG1 4.34Å
236L94Very high89.1Confident66 Ų6660.7 Ų60.735%0.34633%0.333SS..EExtended strand (participates in β ladder)trans-67.7120.5167.7179.562.9000108.5E239 F274 Y276L236-E239 HydrophobicContact CD1-CG 4.34Å; L236-E239 HydrophobicContact CD2-CG 4.02Å; L236-E239 HydrophobicContact CG-CG 4.47Å; L236-F274 HydrophobicContact CD1-CB 3.7Å; L236-F274 HydrophobicContact CD1-CG 4.11Å; L236-Y276 HydrophobicContact CB-CD1 4.13Å; L236-Y276 HydrophobicContact CB-CE1 3.94Å; L236-Y276 HydrophobicContact CD1-CD1 4.41Å; L236-Y276 HydrophobicContact CD1-CE1 4.04Å
237V95.4Very high89.9Confident3 Ų353.2 Ų53.22%0.01830%0.301CS..EExtended strand (participates in β ladder)trans-113.7-23.4-177.2-66.30000113.7T201 A202 F221 L235 V275 M277 I289T201-V237 WeakPolarHBondContact CA-O 3.41Å; A202-V237 PolarHBondContact N-O 2.92Å; F221-V237 HydrophobicContact CE2-CB 4.27Å; F221-V237 HydrophobicContact CZ-CB 3.96Å; F221-V237 HydrophobicContact CZ-CG2 4.08Å; L235-V237 HydrophobicContact CB-CG1 4.46Å; L235-V237 PolarHBondContact O-N 3.37Å; V237-V275 HydrophobicContact CG2-CB 4.3Å; V237-V275 HydrophobicContact CG2-CG1 4.02Å; V237-V275 VanDerWaalsContact CG2-O 3.29Å; V237-V275 WeakPolarHBondContact CG2-O 3.29Å; V237-V275 PolarHBondContact N-O 3.3Å; V237-M277 HydrophobicContact CG1-CB 3.6Å; V237-M277 HydrophobicContact CG1-CE 4.16Å; V237-M277 HydrophobicContact CG2-CB 4.29Å; V237-I289 HydrophobicContact CG2-CD1 4.46Å
238A97.5Very high90.8Very high0 Ų047.4 Ų47.40%027%0.27CS..EExtended strand (participates in β ladder)trans-152.6144173.600000111.6S200 F221 I240 V275 I291S200-A238 WeakPolarHBondContact O-CA 3.49Å; F221-A238 HydrophobicContact CE1-CB 4.31Å; F221-A238 HydrophobicContact CZ-CB 4.45Å; A238-I240 HydrophobicContact CB-CD1 4.36Å; A238-I240 HydrophobicContact CB-CG1 4.17Å; A238-V275 HydrophobicContact CB-CB 4.29Å; A238-V275 PolarHBondContact N-O 3.11Å; A238-V275 PolarHBondContact O-N 3.26Å; A238-I291 HydrophobicContact CB-CD1 4.27Å
239E98Very high91.3Very high56 Ų5649.6 Ų49.626%0.26228%0.283SS..EExtended strand (participates in β ladder)trans-111.9119.5166.9-64.6171.6-119.700107.4P198 Q199 S200 L236 F274P198-E239 CarbonylContact C-O 3.23Å; P198-E239 WeakPolarHBondContact CA-O 3.45Å; Q199-E239 PolarHBondContact N-O 2.91Å; S200-E239 PolarHBondContact N-O 3.46Å; S200-E239 PolarHBondContact O-N 3.08Å; S200-E239 WeakPolarHBondContact OG-CG 3.25Å; S200-E239 PolarHBondContact OG-OE1 3.47Å; L236-E239 HydrophobicContact CD1-CG 4.34Å; L236-E239 HydrophobicContact CD2-CG 4.02Å; L236-E239 HydrophobicContact CG-CG 4.47Å; E239-F274 HydrophobicContact CB-CD1 4.13Å; E239-F274 HydrophobicContact CB-CE1 4.11Å; E239-F274 HydrophobicContact CG-CD1 3.75Å; E239-F274 HydrophobicContact CG-CE1 3.72Å
240I98.6Very high92.2Very high0 Ų046.9 Ų46.90%026%0.26CS..EExtended strand (participates in β ladder)trans-121123.7-171.4-56.8178000108.7T196 Y197 F217 A238 V242 L272 I273 V275 I291 I293T196-I240 HydrophobicContact CG2-CG2 3.74Å; Y197-I240 WeakPolarHBondContact O-CA 3.32Å; F217-I240 HydrophobicContact CE1-CD1 4.14Å; F217-I240 HydrophobicContact CE1-CG2 4.26Å; F217-I240 HydrophobicContact CZ-CD1 4.49Å; F217-I240 HydrophobicContact CZ-CG2 4.16Å; A238-I240 HydrophobicContact CB-CD1 4.36Å; A238-I240 HydrophobicContact CB-CG1 4.17Å; I240-V242 HydrophobicContact CB-CG2 4.47Å; I240-V242 HydrophobicContact CG2-CG2 3.88Å; I240-L272 WeakPolarHBondContact O-CA 3.43Å; I240-I273 PolarHBondContact N-O 2.92Å; I240-I273 PolarHBondContact O-N 3.08Å; I240-V275 HydrophobicContact CD1-CG2 3.96Å; I240-I291 HydrophobicContact CD1-CD1 3.92Å; I240-I291 HydrophobicContact CD1-CG2 3.98Å; I240-I293 HydrophobicContact CG2-CD1 4.16Å
241F98.2Very high92.8Very high45 Ų4543.6 Ų43.620%0.19725%0.246CC..EExtended strand (participates in β ladder)trans-76.6129.2167.5178.4-100.3000109.5R195 T196 Y197 Q199 P243 N271 L272R195-F241 WeakPolarHBondContact O-CD1 3.26Å; T196-F241 VanDerWaalsContact CA-O 3.25Å; T196-F241 WeakPolarHBondContact CA-O 3.25Å; T196-F241 WeakPolarHBondContact CG2-O 3.13Å; Y197-F241 HydrophobicContact CD1-CB 4.03Å; Y197-F241 AromaticContact CD1-CD1 3.92Å; Y197-F241 HydrophobicContact CD1-CD1 3.92Å; Y197-F241 HydrophobicContact CD1-CG 4.4Å; Y197-F241 HydrophobicContact CE1-CB 3.66Å; Y197-F241 AromaticContact CE1-CD1 3.49Å; Y197-F241 HydrophobicContact CE1-CD1 3.49Å; Y197-F241 VanDerWaalsContact CE1-CD1 3.49Å; Y197-F241 HydrophobicContact CE1-CE1 4.4Å; Y197-F241 AromaticContact CE1-CG 3.81Å; Y197-F241 HydrophobicContact CE1-CG 3.81Å; Y197-F241 PolarHBondContact N-O 3.12Å; Y197-F241 VanDerWaalsContact N-O 3.13Å; Y197-F241 PolarHBondContact O-N 3.4Å; Q199-F241 HydrophobicContact CG-CB 4.1Å; F241-P243 HydrophobicContact CE1-CB 3.85Å; F241-P243 HydrophobicContact CE1-CG 4.14Å; F241-P243 HydrophobicContact CZ-CB 4.15Å; F241-N271 CarbonylContact C-O 3.58Å; F241-N271 WeakPolarHBondContact CA-O 3.47Å; F241-N271 HydrophobicContact CD2-CB 4.08Å; F241-N271 WeakPolarHBondContact CD2-O 3.26Å; F241-N271 HydrophobicContact CE2-CB 3.64Å; F241-N271 HydrophobicContact CZ-CB 4.33Å; F241-L272 HydrophobicContact CB-CD2 4.25Å; F241-L272 HydrophobicContact CD2-CD2 4.34Å
242V97.7Very high93.8Very high0 Ų041.1 Ų41.10%023%0.231CC..  trans-133.299.9-175-175.80000107.7T196 I240 M244 Y248 V252 N271 I273 I293T196-V242 HydrophobicContact CG2-CG2 4.12Å; I240-V242 HydrophobicContact CB-CG2 4.47Å; I240-V242 HydrophobicContact CG2-CG2 3.88Å; V242-M244 VanDerWaalsContact C-N 3.33Å; V242-M244 HydrophobicContact CG1-SD 3.79Å; V242-M244 PolarHBondContact O-N 2.89Å; V242-Y248 HydrophobicContact CG1-CD2 3.43Å; V242-Y248 VanDerWaalsContact CG1-CD2 3.43Å; V242-Y248 HydrophobicContact CG1-CE2 3.44Å; V242-Y248 VanDerWaalsContact CG1-CE2 3.44Å; V242-Y248 HydrophobicContact CG1-CG 4.25Å; V242-V252 HydrophobicContact CG1-CG1 4.09Å; V242-N271 PolarHBondContact N-O 3.03Å; V242-N271 WeakPolarHBondContact O-CA 3.47Å; V242-N271 VanDerWaalsContact O-CB 3.25Å; V242-N271 WeakPolarHBondContact O-CB 3.43Å; V242-N271 PolarHBondContact O-OD1 3.03Å; V242-I273 HydrophobicContact CB-CD1 4.43Å; V242-I273 HydrophobicContact CB-CG1 4.44Å; V242-I273 HydrophobicContact CG1-CD1 4.49Å; V242-I273 HydrophobicContact CG2-CB 4.09Å; V242-I273 HydrophobicContact CG2-CD1 3.76Å; V242-I273 HydrophobicContact CG2-CG1 3.78Å; V242-I293 HydrophobicContact CG2-CD1 4Å
243P95.2Very high94.6Very high4 Ų439.4 Ų39.43%0.02622%0.216CC..  trans-71.583-176.727.9-35.9000111.8S194 T196 F241 S245 I246 H247 Y248S194-P243 VanDerWaalsContact O-CG 3.28Å; S194-P243 WeakPolarHBondContact O-CG 3.15Å; T196-P243 WeakPolarHBondContact OG1-CD 3.22Å; F241-P243 HydrophobicContact CE1-CB 3.85Å; F241-P243 HydrophobicContact CE1-CG 4.14Å; F241-P243 HydrophobicContact CZ-CB 4.15Å; P243-S245 PolarHBondContact O-N 3.47Å; P243-I246 HydrophobicContact CB-CB 4.43Å; P243-I246 PolarHBondContact O-N 2.84Å; P243-H247 HydrophobicContact CG-CB 4.47Å; P243-H247 PolarHBondContact O-N 3.3Å; P243-Y248 HydrophobicContact CG-CE2 4.42Å
244M93.9Very high95Very high43 Ų4339.1 Ų39.121%0.21221%0.213CC..Hα-helixtrans-59.5-44.3-169.4-68.4-65.1-71.600112.5V242 I246 Y248 P249 V252 T270 N271V242-M244 VanDerWaalsContact C-N 3.33Å; V242-M244 HydrophobicContact CG1-SD 3.79Å; V242-M244 PolarHBondContact O-N 2.89Å; M244-I246 VanDerWaalsContact C-N 3.27Å; M244-I246 PolarHBondContact O-N 3.32Å; M244-Y248 CarbonylContact O-C 3.52Å; M244-Y248 WeakPolarHBondContact O-CA 3.38Å; M244-Y248 PolarHBondContact O-N 2.8Å; M244-Y248 VanDerWaalsContact O-N 3.14Å; M244-Y248 VanDerWaalsContact O-O 3.08Å; M244-P249 VanDerWaalsContact O-N 3.1Å; M244-V252 HydrophobicContact SD-CG1 4.07Å; M244-T270 VanDerWaalsContact CG-O 3.22Å; M244-T270 WeakPolarHBondContact CG-O 3.38Å; M244-N271 PolarHBondContact N-OD1 3.23Å
245S91.7Very high95.4Very high74 Ų7443 Ų4352%0.51722%0.22SC..Hα-helixtrans-70.6-19.7-177.452.60000114.3P243P243-S245 PolarHBondContact O-N 3.47Å
246I92.2Very high95.6Very high40 Ų4042.5 Ų42.521%0.20522%0.216CC..Hα-helixtrans-103.4-48.4-171.9-61.9172.9000110.8L190 K191 S194 P243 M244L190-I246 HydrophobicContact CB-CD1 4.18Å; K191-I246 HydrophobicContact CG-CG2 4.41Å; S194-I246 VanDerWaalsContact CB-CD1 3.47Å; S194-I246 WeakPolarHBondContact OG-CD1 3.09Å; P243-I246 HydrophobicContact CB-CB 4.43Å; P243-I246 PolarHBondContact O-N 2.84Å; M244-I246 VanDerWaalsContact C-N 3.27Å; M244-I246 PolarHBondContact O-N 3.32Å
247H94.2Very high95.8Very high13 Ų1343.2 Ų43.26%0.0622%0.22CC..Hα-helixtrans-109.4-16.6-174.4-72.2-78.3000114K191 S194 F210 V212 P243 P249K191-H247 VanDerWaalsContact CG-CE1 3.43Å; K191-H247 WeakPolarHBondContact CG-CE1 3.08Å; K191-H247 PolarHBondContact O-CE1 3.44Å; K191-H247 PolarHBondContact O-NE2 3.17Å; S194-H247 PolarHBondContact O-CD2 2.81Å; S194-H247 PolarHBondContact O-NE2 3.27Å; F210-H247 AromaticContact CE1-CE1 3.92Å; F210-H247 AromaticContact CE1-NE2 3.88Å; F210-H247 AromaticContact CZ-CD2 3.76Å; F210-H247 AromaticContact CZ-CE1 3.63Å; F210-H247 AromaticContact CZ-CG 3.8Å; F210-H247 AromaticContact CZ-ND1 3.74Å; F210-H247 AromaticContact CZ-NE2 3.65Å; V212-H247 PolarHBondContact O-CE1 3.17Å; V212-H247 VanDerWaalsContact O-CE1 3.31Å; P243-H247 HydrophobicContact CG-CB 4.47Å; P243-H247 PolarHBondContact O-N 3.3Å; H247-P249 VanDerWaalsContact C-CD 3.44Å
248Y95.1Very high95.7Very high2 Ų243.8 Ų43.81%0.00823%0.225CC..  trans-134.448.2-173.9-45.7-77.8000113.3T196 G215 V242 P243 M244 H250 G251 V252 I293 P295T196-Y248 WeakPolarHBondContact OG1-CE2 3.44Å; T196-Y248 PolarHBondContact OG1-OH 3.45Å; G215-Y248 VanDerWaalsContact O-CE1 3.23Å; G215-Y248 WeakPolarHBondContact O-CE1 3.39Å; G215-Y248 VanDerWaalsContact O-CZ 3.28Å; G215-Y248 PolarHBondContact O-OH 2.95Å; V242-Y248 HydrophobicContact CG1-CD2 3.43Å; V242-Y248 VanDerWaalsContact CG1-CD2 3.43Å; V242-Y248 HydrophobicContact CG1-CE2 3.44Å; V242-Y248 VanDerWaalsContact CG1-CE2 3.44Å; V242-Y248 HydrophobicContact CG1-CG 4.25Å; P243-Y248 HydrophobicContact CG-CE2 4.42Å; M244-Y248 CarbonylContact O-C 3.52Å; M244-Y248 WeakPolarHBondContact O-CA 3.38Å; M244-Y248 PolarHBondContact O-N 2.8Å; M244-Y248 VanDerWaalsContact O-N 3.14Å; M244-Y248 VanDerWaalsContact O-O 3.08Å; Y248-H250 PolarHBondContact O-N 3.25Å; Y248-G251 PolarHBondContact O-N 2.64Å; Y248-V252 HydrophobicContact CD1-CG1 3.55Å; Y248-V252 HydrophobicContact CD2-CG1 4.2Å; Y248-V252 HydrophobicContact CE1-CG1 4.18Å; Y248-V252 HydrophobicContact CG-CG1 3.53Å; Y248-I293 HydrophobicContact CE1-CG2 4.09Å; Y248-P295 HydrophobicContact CD1-CB 3.91Å; Y248-P295 HydrophobicContact CD1-CG 3.68Å; Y248-P295 HydrophobicContact CE1-CB 4.39Å; Y248-P295 HydrophobicContact CE1-CG 3.69Å
249P92.2Very high95.6Very high85 Ų8552 Ų5255%0.55226%0.263SS*.THydrogen-bonded Turntrans-61.1-21.9-173.724.1-34.1000113.5M244 H247M244-P249 VanDerWaalsContact O-N 3.1Å; H247-P249 VanDerWaalsContact C-CD 3.44Å
250H94.3Very high95.4Very high97 Ų9754.6 Ų54.645%0.44928%0.275SS..THydrogen-bonded Turntrans-105.213.1178.1-51.1-62000112.9Y248 N296 N298Y248-H250 PolarHBondContact O-N 3.25Å; H250-N296 HydrophobicContact CB-CB 4.26Å; H250-N296 WeakPolarHBondContact O-CB 3.34Å; H250-N296 PolarHBondContact O-ND2 3.05Å; H250-N298 VanDerWaalsContact CD2-CG 3.49Å; H250-N298 PolarHBondContact CD2-ND2 3.35Å; H250-N298 PolarHBondContact CD2-OD1 2.87Å; H250-N298 PolarHBondContact CE1-OD1 3.06Å; H250-N298 PolarHBondContact ND1-OD1 2.93Å; H250-N298 VanDerWaalsContact NE2-CG 3.34Å; H250-N298 PolarHBondContact NE2-ND2 3.43Å; H250-N298 PolarHBondContact NE2-OD1 3.24Å
251G94.8Very high95.3Very high17 Ų1755 Ų5518%0.17528%0.277CS..  trans87.8-173.8-176.700000113.9Y248 N296Y248-G251 PolarHBondContact O-N 2.64Å; G251-N296 PolarHBondContact O-N 3.39Å
252V96.5Very high95.1Very high20 Ų2055.7 Ų55.712%0.12128%0.283CS..EExtended strand (participates in β ladder)trans-122.7149.1-172.4-62.40000111.9V242 M244 Y248 I273 I293 I294V242-V252 HydrophobicContact CG1-CG1 4.09Å; M244-V252 HydrophobicContact SD-CG1 4.07Å; Y248-V252 HydrophobicContact CD1-CG1 3.55Å; Y248-V252 HydrophobicContact CD2-CG1 4.2Å; Y248-V252 HydrophobicContact CE1-CG1 4.18Å; Y248-V252 HydrophobicContact CG-CG1 3.53Å; V252-I273 HydrophobicContact CG2-CD1 4.15Å; V252-I293 HydrophobicContact CB-CG2 3.82Å; V252-I293 HydrophobicContact CG1-CG2 3.71Å; V252-I294 WeakPolarHBondContact CA-O 3.29Å
253K96.7Very high95.1Very high116 Ų11659.4 Ų59.450%0.50430%0.297SS..EExtended strand (participates in β ladder)trans-111.3129.2162.3-178.8173.3-176.6169.70109I294 N296K253-I294 PolarHBondContact N-O 3.04Å; K253-I294 PolarHBondContact O-N 3.35Å; K253-N296 PolarHBondContact N-OD1 3.12Å
254T96.9Very high95.1Very high32 Ų3265.6 Ų65.620%0.19632%0.324CS..EExtended strand (participates in β ladder)trans-104.7148.9178.159.30000111.6F256 Y263 T292 I293T254-F256 HydrophobicContact CG2-CZ 4.04Å; T254-F256 WeakPolarHBondContact OG1-CE2 3.28Å; T254-Y263 HydrophobicContact CG2-CD1 3.99Å; T254-Y263 HydrophobicContact CG2-CE1 3.67Å; T254-Y263 VanDerWaalsContact OG1-CE1 3.24Å; T254-Y263 WeakPolarHBondContact OG1-CE1 3.47Å; T254-T292 CarbonylContact C-O 3.58Å; T254-T292 VanDerWaalsContact CA-O 3.31Å; T254-T292 WeakPolarHBondContact CA-O 3.22Å; T254-I293 HydrophobicContact CG2-CG1 4.29Å
255R97.9Very high95.1Very high150 Ų15066.7 Ų66.757%0.56633%0.333SS*.EExtended strand (participates in β ladder)trans-130.5132164.9-58.6179.5-176.6172.31.3107.8T292R255-T292 PolarHBondContact N-O 3.28Å; R255-T292 PolarHBondContact O-N 3.08Å
256F97.6Very high95.1Very high29 Ų2967.5 Ų67.513%0.12733%0.325CS..EExtended strand (participates in β ladder)trans-121.7142.8-178.9-60.3-58.2000110.5T254 P258 L261 Y263 V275 E290 I291T254-F256 HydrophobicContact CG2-CZ 4.04Å; T254-F256 WeakPolarHBondContact OG1-CE2 3.28Å; F256-P258 WeakPolarHBondContact CB-O 3.45Å; F256-L261 HydrophobicContact CB-CB 3.82Å; F256-L261 HydrophobicContact CB-CD1 4.16Å; F256-L261 HydrophobicContact CB-CG 4.38Å; F256-L261 HydrophobicContact CD1-CB 4.3Å; F256-L261 HydrophobicContact CD1-CD1 4.42Å; F256-L261 HydrophobicContact CD2-CB 4.08Å; F256-L261 WeakPolarHBondContact CD2-O 3.48Å; F256-L261 HydrophobicContact CG-CB 3.82Å; F256-L261 HydrophobicContact CG-CD1 4.47Å; F256-Y263 AromaticContact CE2-CD1 3.74Å; F256-Y263 HydrophobicContact CE2-CD1 3.74Å; F256-Y263 HydrophobicContact CE2-CE1 4.5Å; F256-Y263 AromaticContact CZ-CD1 3.67Å; F256-Y263 HydrophobicContact CZ-CD1 3.67Å; F256-Y263 HydrophobicContact CZ-CG 4.16Å; F256-V275 HydrophobicContact CE1-CG1 4.2Å; F256-V275 HydrophobicContact CE1-CG2 4.4Å; F256-E290 WeakPolarHBondContact CA-O 3.49Å; F256-I291 HydrophobicContact CD1-CB 4.3Å; F256-I291 HydrophobicContact CD1-CG1 3.91Å; F256-I291 HydrophobicContact CD1-CG2 4.16Å; F256-I291 HydrophobicContact CE1-CB 4.37Å; F256-I291 HydrophobicContact CE1-CG1 4.08Å; F256-I291 HydrophobicContact CE1-CG2 3.78Å
257N96.3Very high94.8Very high81 Ų8174.5 Ų74.543%0.43336%0.357SS..EExtended strand (participates in β ladder)trans-126117.6161.6-175.318.2000107.1I289 E290N257-I289 CarbonylContact O-C 3.55Å; N257-I289 WeakPolarHBondContact O-CA 3.4Å; N257-E290 HydrophobicContact CB-CB 4.04Å; N257-E290 HydrophobicContact CB-CG 4.34Å; N257-E290 PolarHBondContact N-O 3.07Å; N257-E290 PolarHBondContact ND2-OE2 2.95Å; N257-E290 PolarHBondContact O-N 3.12Å
258P95Very high94.5Very high16 Ų1680.2 Ų80.210%0.10439%0.388CS..SBendcis-71.2153.4-0.633.4-38.8000113.1F256 Q260 L261 L281 I286F256-P258 WeakPolarHBondContact CB-O 3.45Å; P258-Q260 PolarHBondContact O-N 3.14Å; P258-Q260 VanDerWaalsContact O-N 3.17Å; P258-L261 HydrophobicContact CG-CD2 4.49Å; P258-L261 HydrophobicContact CG-CG 4.18Å; P258-L261 WeakPolarHBondContact O-CG 3.39Å; P258-L261 PolarHBondContact O-N 2.95Å; P258-L281 HydrophobicContact CB-CD1 4.12Å; P258-L281 HydrophobicContact CB-CD2 4.44Å; P258-L281 HydrophobicContact CG-CD1 3.43Å; P258-L281 VanDerWaalsContact CG-CD1 3.43Å; P258-L281 HydrophobicContact CG-CD2 4.41Å; P258-I286 HydrophobicContact CG-CD1 3.73Å; P258-I286 HydrophobicContact CG-CG1 4.42Å
259E95.1Very high94.3Very high172 Ų17282.8 Ų82.880%0.80440%0.402SS*.THydrogen-bonded Turntrans-65.8-19.4-172.8-66-175.5168.200114.2L261E259-L261 PolarHBondContact O-N 3.21Å
260Q93.8Very high94.3Very high111 Ų11182.9 Ų82.952%0.51940%0.401SS..THydrogen-bonded Turntrans-78-4.7-179.3-50.985.2-18.600113.2P258 P278 L281P258-Q260 PolarHBondContact O-N 3.14Å; P258-Q260 VanDerWaalsContact O-N 3.17Å; Q260-P278 HydrophobicContact CB-CG 4.35Å; Q260-P278 WeakPolarHBondContact O-CD 3.09Å; Q260-P278 VanDerWaalsContact O-CG 3.28Å; Q260-P278 WeakPolarHBondContact O-CG 3.27Å; Q260-L281 HydrophobicContact CB-CD1 3.92Å; Q260-L281 HydrophobicContact CB-CG 4.31Å
261L95.2Very high94.3Very high8 Ų880.1 Ų80.14%0.04239%0.39CS..  trans-60.9143.8168-62-179.3000109.6F256 P258 E259 V275 Y276 M277 L281 I289F256-L261 HydrophobicContact CB-CB 3.82Å; F256-L261 HydrophobicContact CB-CD1 4.16Å; F256-L261 HydrophobicContact CB-CG 4.38Å; F256-L261 HydrophobicContact CD1-CB 4.3Å; F256-L261 HydrophobicContact CD1-CD1 4.42Å; F256-L261 HydrophobicContact CD2-CB 4.08Å; F256-L261 WeakPolarHBondContact CD2-O 3.48Å; F256-L261 HydrophobicContact CG-CB 3.82Å; F256-L261 HydrophobicContact CG-CD1 4.47Å; P258-L261 HydrophobicContact CG-CD2 4.49Å; P258-L261 HydrophobicContact CG-CG 4.18Å; P258-L261 WeakPolarHBondContact O-CG 3.39Å; P258-L261 PolarHBondContact O-N 2.95Å; E259-L261 PolarHBondContact O-N 3.21Å; L261-V275 HydrophobicContact CB-CG1 4.46Å; L261-Y276 WeakPolarHBondContact CA-O 3.46Å; L261-M277 HydrophobicContact CD2-CB 3.57Å; L261-M277 HydrophobicContact CD2-CG 3.76Å; L261-L281 HydrophobicContact CD2-CD1 4.4Å; L261-I289 HydrophobicContact CD1-CB 4.49Å; L261-I289 HydrophobicContact CD1-CG1 4.38Å; L261-I289 HydrophobicContact CD1-CG2 3.5Å
262N95.3Very high94.5Very high59 Ų5980.2 Ų80.232%0.31639%0.386SS..EExtended strand (participates in β ladder)trans-127.5166.1172.765.761.1000109.8V275 Y276N262-V275 WeakPolarHBondContact O-CA 3.09Å; N262-Y276 PolarHBondContact N-O 2.91Å; N262-Y276 VanDerWaalsContact N-O 3.1Å; N262-Y276 PolarHBondContact O-N 3.25Å; N262-Y276 WeakPolarHBondContact OD1-CB 3.2Å
263Y96.7Very high94.5Very high79 Ų7979.4 Ų79.431%0.3138%0.381SS..EExtended strand (participates in β ladder)trans-134.9158175.577.6-80.8000111.4T254 F256 V265 I273 F274T254-Y263 HydrophobicContact CG2-CD1 3.99Å; T254-Y263 HydrophobicContact CG2-CE1 3.67Å; T254-Y263 VanDerWaalsContact OG1-CE1 3.24Å; T254-Y263 WeakPolarHBondContact OG1-CE1 3.47Å; F256-Y263 AromaticContact CE2-CD1 3.74Å; F256-Y263 HydrophobicContact CE2-CD1 3.74Å; F256-Y263 HydrophobicContact CE2-CE1 4.5Å; F256-Y263 AromaticContact CZ-CD1 3.67Å; F256-Y263 HydrophobicContact CZ-CD1 3.67Å; F256-Y263 HydrophobicContact CZ-CG 4.16Å; Y263-V265 HydrophobicContact CE2-CG2 4.23Å; Y263-I273 HydrophobicContact CD2-CD1 4.03Å; Y263-I273 HydrophobicContact CD2-CG1 4.34Å; Y263-I273 HydrophobicContact CD2-CG2 3.59Å; Y263-I273 HydrophobicContact CE2-CD1 4.06Å; Y263-I273 HydrophobicContact CG-CG2 3.95Å; Y263-F274 CarbonylContact C-O 3.48Å; Y263-F274 WeakPolarHBondContact CA-O 3.45Å; Y263-F274 WeakPolarHBondContact CB-O 3.31Å
264K96.1Very high94.6Very high133 Ų13375.4 Ų75.458%0.57836%0.363SS*.EExtended strand (participates in β ladder)trans-129.2138.9168.7-63.3-176.3178.5-178.20108.7I273 F274 Y276K264-I273 WeakPolarHBondContact O-CA 3.29Å; K264-F274 PolarHBondContact N-O 2.99Å; K264-F274 PolarHBondContact O-N 3.14Å; K264-Y276 HydrophobicContact CB-CE2 4.22Å; K264-Y276 HydrophobicContact CD-CE2 4.18Å; K264-Y276 HydrophobicContact CG-CE2 4.14Å
265V94.2Very high94.6Very high66 Ų6673.9 Ų73.940%0.435%0.354SS..EExtended strand (participates in β ladder)trans-74.4133.7164.6-178.70000107.2Y263 E267 L272 I273Y263-V265 HydrophobicContact CE2-CG2 4.23Å; V265-E267 PolarHBondContact O-N 3.05Å; V265-L272 WeakPolarHBondContact CA-O 3.4Å; V265-I273 HydrophobicContact CG2-CG1 4.38Å
266Y90.5Very high94.4Very high92 Ų9268.9 Ų68.936%0.36134%0.336SS..EExtended strand (participates in β ladder)trans-69.5126.9-179.4-175.9-132000110.3N268 N269 L272 F274Y266-N268 HydrophobicContact CD1-CB 4.19Å; Y266-N268 HydrophobicContact CE1-CB 3.69Å; Y266-N268 PolarHBondContact O-N 3.33Å; Y266-N268 VanDerWaalsContact O-N 3.15Å; Y266-N268 PolarHBondContact OH-ND2 3.27Å; Y266-N269 HydrophobicContact CD1-CB 3.96Å; Y266-N269 CarbonylContact O-C 3.51Å; Y266-N269 VanDerWaalsContact O-C 3.23Å; Y266-N269 PolarHBondContact O-N 2.53Å; Y266-N269 VanDerWaalsContact O-O 3.04Å; Y266-L272 HydrophobicContact CD1-CD1 4.15Å; Y266-L272 PolarHBondContact N-O 2.87Å; Y266-F274 HydrophobicContact CD1-CZ 4.36Å; Y266-F274 HydrophobicContact CD2-CD2 4.3Å; Y266-F274 AromaticContact CD2-CE2 3.51Å; Y266-F274 HydrophobicContact CD2-CE2 3.51Å; Y266-F274 AromaticContact CD2-CZ 3.86Å; Y266-F274 HydrophobicContact CD2-CZ 3.86Å; Y266-F274 HydrophobicContact CE2-CE2 4.03Å; Y266-F274 HydrophobicContact CE2-CZ 4.35Å; Y266-F274 AromaticContact CG-CE2 3.98Å; Y266-F274 HydrophobicContact CG-CE2 3.98Å; Y266-F274 AromaticContact CG-CZ 3.88Å; Y266-F274 HydrophobicContact CG-CZ 3.88Å
267E86Confident94.3Very high186 Ų18667.6 Ų67.687%0.86933%0.33SS*.THydrogen-bonded Turntrans-59.5-32.6-171.3-65.3177.2-178.100112.9V265V265-E267 PolarHBondContact O-N 3.05Å
268N87.5Confident94Very high134 Ų13464.8 Ų64.872%0.71732%0.316SS*.THydrogen-bonded Turntrans-91.6-8.7-178.5-63-34.4000113.8Y266Y266-N268 HydrophobicContact CD1-CB 4.19Å; Y266-N268 HydrophobicContact CE1-CB 3.69Å; Y266-N268 PolarHBondContact O-N 3.33Å; Y266-N268 VanDerWaalsContact O-N 3.15Å; Y266-N268 PolarHBondContact OH-ND2 3.27Å
269N91.3Very high93.8Very high56 Ų5664.3 Ų64.330%0.29931%0.313SS..EExtended strand (participates in β ladder)trans-153.2105.4177.7-173.6-7000110.1Y266 N271 L272Y266-N269 HydrophobicContact CD1-CB 3.96Å; Y266-N269 CarbonylContact O-C 3.51Å; Y266-N269 VanDerWaalsContact O-C 3.23Å; Y266-N269 PolarHBondContact O-N 2.53Å; Y266-N269 VanDerWaalsContact O-O 3.04Å; N269-N271 PolarHBondContact O-N 3.21Å; N269-N271 WeakPolarHBondContact OD1-CB 3.14Å; N269-N271 PolarHBondContact OD1-N 2.96Å; N269-N271 PolarHBondContact OD1-ND2 3.21Å; N269-L272 HydrophobicContact CB-CB 4.48Å; N269-L272 HydrophobicContact CB-CD1 4.05Å; N269-L272 HydrophobicContact CB-CG 4.34Å; N269-L272 PolarHBondContact O-N 3.46Å
270T91.9Very high93.3Very high87 Ų8759.9 Ų59.953%0.53430%0.298SS..EExtended strand (participates in β ladder)trans-62.9-16179.553.90000113.4M244 L272M244-T270 VanDerWaalsContact CG-O 3.22Å; M244-T270 WeakPolarHBondContact CG-O 3.38Å; T270-L272 VanDerWaalsContact C-N 3.28Å; T270-L272 PolarHBondContact O-N 3.3Å
271N95.9Very high93Very high39 Ų3955.1 Ų55.121%0.20928%0.276CS..EExtended strand (participates in β ladder)trans-87.310.5174.9-55-64.8000113.7F241 V242 M244 N269F241-N271 CarbonylContact C-O 3.58Å; F241-N271 WeakPolarHBondContact CA-O 3.47Å; F241-N271 HydrophobicContact CD2-CB 4.08Å; F241-N271 WeakPolarHBondContact CD2-O 3.26Å; F241-N271 HydrophobicContact CE2-CB 3.64Å; F241-N271 HydrophobicContact CZ-CB 4.33Å; V242-N271 PolarHBondContact N-O 3.03Å; V242-N271 WeakPolarHBondContact O-CA 3.47Å; V242-N271 VanDerWaalsContact O-CB 3.25Å; V242-N271 WeakPolarHBondContact O-CB 3.43Å; V242-N271 PolarHBondContact O-OD1 3.03Å; M244-N271 PolarHBondContact N-OD1 3.23Å; N269-N271 PolarHBondContact O-N 3.21Å; N269-N271 WeakPolarHBondContact OD1-CB 3.14Å; N269-N271 PolarHBondContact OD1-N 2.96Å; N269-N271 PolarHBondContact OD1-ND2 3.21Å
272L97.4Very high92.3Very high19 Ų1955.8 Ų55.810%0.09928%0.28CS..EExtended strand (participates in β ladder)trans-121.3126.3175.5-72.4172.6000110.4Q199 I240 F241 V265 Y266 N269 T270 F274Q199-L272 VanDerWaalsContact OE1-CD2 3.26Å; I240-L272 WeakPolarHBondContact O-CA 3.43Å; F241-L272 HydrophobicContact CB-CD2 4.25Å; F241-L272 HydrophobicContact CD2-CD2 4.34Å; V265-L272 WeakPolarHBondContact CA-O 3.4Å; Y266-L272 HydrophobicContact CD1-CD1 4.15Å; Y266-L272 PolarHBondContact N-O 2.87Å; N269-L272 HydrophobicContact CB-CB 4.48Å; N269-L272 HydrophobicContact CB-CD1 4.05Å; N269-L272 HydrophobicContact CB-CG 4.34Å; N269-L272 PolarHBondContact O-N 3.46Å; T270-L272 VanDerWaalsContact C-N 3.28Å; T270-L272 PolarHBondContact O-N 3.3Å; L272-F274 HydrophobicContact CB-CE1 4.33Å
273I97.3Very high91.1Very high2 Ų261 Ų611%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-110.5127.2171.9-68.3-171.4000109I240 V242 V252 Y263 K264 V265 V275I240-I273 PolarHBondContact N-O 2.92Å; I240-I273 PolarHBondContact O-N 3.08Å; V242-I273 HydrophobicContact CB-CD1 4.43Å; V242-I273 HydrophobicContact CB-CG1 4.44Å; V242-I273 HydrophobicContact CG1-CD1 4.49Å; V242-I273 HydrophobicContact CG2-CB 4.09Å; V242-I273 HydrophobicContact CG2-CD1 3.76Å; V242-I273 HydrophobicContact CG2-CG1 3.78Å; V252-I273 HydrophobicContact CG2-CD1 4.15Å; Y263-I273 HydrophobicContact CD2-CD1 4.03Å; Y263-I273 HydrophobicContact CD2-CG1 4.34Å; Y263-I273 HydrophobicContact CD2-CG2 3.59Å; Y263-I273 HydrophobicContact CE2-CD1 4.06Å; Y263-I273 HydrophobicContact CG-CG2 3.95Å; K264-I273 WeakPolarHBondContact O-CA 3.29Å; V265-I273 HydrophobicContact CG2-CG1 4.38Å; I273-V275 HydrophobicContact CG2-CG2 4.11Å
274F97.7Very high90.2Very high32 Ų3261.4 Ų61.414%0.1431%0.31CS..EExtended strand (participates in β ladder)trans-102.1121.9172.7-67.6-6.7000109.4L236 E239 Y263 K264 Y266 L272 Y276L236-F274 HydrophobicContact CD1-CB 3.7Å; L236-F274 HydrophobicContact CD1-CG 4.11Å; E239-F274 HydrophobicContact CB-CD1 4.13Å; E239-F274 HydrophobicContact CB-CE1 4.11Å; E239-F274 HydrophobicContact CG-CD1 3.75Å; E239-F274 HydrophobicContact CG-CE1 3.72Å; Y263-F274 CarbonylContact C-O 3.48Å; Y263-F274 WeakPolarHBondContact CA-O 3.45Å; Y263-F274 WeakPolarHBondContact CB-O 3.31Å; K264-F274 PolarHBondContact N-O 2.99Å; K264-F274 PolarHBondContact O-N 3.14Å; Y266-F274 HydrophobicContact CD1-CZ 4.36Å; Y266-F274 HydrophobicContact CD2-CD2 4.3Å; Y266-F274 AromaticContact CD2-CE2 3.51Å; Y266-F274 HydrophobicContact CD2-CE2 3.51Å; Y266-F274 AromaticContact CD2-CZ 3.86Å; Y266-F274 HydrophobicContact CD2-CZ 3.86Å; Y266-F274 HydrophobicContact CE2-CE2 4.03Å; Y266-F274 HydrophobicContact CE2-CZ 4.35Å; Y266-F274 AromaticContact CG-CE2 3.98Å; Y266-F274 HydrophobicContact CG-CE2 3.98Å; Y266-F274 AromaticContact CG-CZ 3.88Å; Y266-F274 HydrophobicContact CG-CZ 3.88Å; L272-F274 HydrophobicContact CB-CE1 4.33Å; F274-Y276 HydrophobicContact CB-CE2 3.62Å; F274-Y276 WeakPolarHBondContact O-CD2 3.37Å; F274-Y276 WeakPolarHBondContact O-CE2 3.45Å
275V97.2Very high89.3Confident1 Ų161.8 Ų61.81%0.00632%0.319CS..EExtended strand (participates in β ladder)trans-101.5130.2-179.8-1760000109.4V237 A238 I240 F256 L261 N262 I273 I291V237-V275 HydrophobicContact CG2-CB 4.3Å; V237-V275 HydrophobicContact CG2-CG1 4.02Å; V237-V275 VanDerWaalsContact CG2-O 3.29Å; V237-V275 WeakPolarHBondContact CG2-O 3.29Å; V237-V275 PolarHBondContact N-O 3.3Å; A238-V275 HydrophobicContact CB-CB 4.29Å; A238-V275 PolarHBondContact N-O 3.11Å; A238-V275 PolarHBondContact O-N 3.26Å; I240-V275 HydrophobicContact CD1-CG2 3.96Å; F256-V275 HydrophobicContact CE1-CG1 4.2Å; F256-V275 HydrophobicContact CE1-CG2 4.4Å; L261-V275 HydrophobicContact CB-CG1 4.46Å; N262-V275 WeakPolarHBondContact O-CA 3.09Å; I273-V275 HydrophobicContact CG2-CG2 4.11Å; V275-I291 HydrophobicContact CB-CD1 4.31Å; V275-I291 HydrophobicContact CG1-CD1 4.07Å; V275-I291 HydrophobicContact CG2-CD1 4.06Å
276Y95.4Very high88.7Confident44 Ų4460.2 Ų60.217%0.17331%0.308CS..EExtended strand (participates in β ladder)trans-119.4141.1-177.5-57.7-95.9000112.5L235 L236 L261 N262 K264 F274L235-Y276 CarbonylContact O-C 3.52Å; L235-Y276 WeakPolarHBondContact O-CA 3.49Å; L236-Y276 HydrophobicContact CB-CD1 4.13Å; L236-Y276 HydrophobicContact CB-CE1 3.94Å; L236-Y276 HydrophobicContact CD1-CD1 4.41Å; L236-Y276 HydrophobicContact CD1-CE1 4.04Å; L261-Y276 WeakPolarHBondContact CA-O 3.46Å; N262-Y276 PolarHBondContact N-O 2.91Å; N262-Y276 VanDerWaalsContact N-O 3.1Å; N262-Y276 PolarHBondContact O-N 3.25Å; N262-Y276 WeakPolarHBondContact OD1-CB 3.2Å; K264-Y276 HydrophobicContact CB-CE2 4.22Å; K264-Y276 HydrophobicContact CD-CE2 4.18Å; K264-Y276 HydrophobicContact CG-CE2 4.14Å; F274-Y276 HydrophobicContact CB-CE2 3.62Å; F274-Y276 WeakPolarHBondContact O-CD2 3.37Å; F274-Y276 WeakPolarHBondContact O-CE2 3.45Å
277M93.4Very high88.7Confident3 Ų363.6 Ų63.62%0.01533%0.327CS..EExtended strand (participates in β ladder)trans-106.5122.6173.2-175.9175.962.900110.6T234 L235 V237 L261 L281 I282 I286 I289T234-M277 CarbonylContact C-O 3.58Å; T234-M277 WeakPolarHBondContact CA-O 2.96Å; L235-M277 HydrophobicContact CD1-CE 4.33Å; L235-M277 PolarHBondContact N-O 3.24Å; L235-M277 PolarHBondContact O-N 2.05Å; V237-M277 HydrophobicContact CG1-CB 3.6Å; V237-M277 HydrophobicContact CG1-CE 4.16Å; V237-M277 HydrophobicContact CG2-CB 4.29Å; L261-M277 HydrophobicContact CD2-CB 3.57Å; L261-M277 HydrophobicContact CD2-CG 3.76Å; M277-L281 HydrophobicContact CG-CB 3.99Å; M277-L281 HydrophobicContact CG-CD1 4.04Å; M277-L281 HydrophobicContact SD-CB 4.33Å; M277-I282 HydrophobicContact CE-CD1 4.43Å; M277-I282 HydrophobicContact CE-CG1 3.73Å; M277-I286 HydrophobicContact SD-CD1 3.82Å; M277-I289 HydrophobicContact SD-CD1 3.97Å
278P92Very high89.1Confident22 Ų2257.5 Ų57.514%0.14330%0.3CS..EExtended strand (participates in β ladder)trans-55.5138.7169-24.731.4000112.3Q260 T280 L281Q260-P278 HydrophobicContact CB-CG 4.35Å; Q260-P278 WeakPolarHBondContact O-CD 3.09Å; Q260-P278 VanDerWaalsContact O-CG 3.28Å; Q260-P278 WeakPolarHBondContact O-CG 3.27Å; P278-T280 WeakPolarHBondContact CB-OG1 3.24Å; P278-T280 PolarHBondContact O-N 3.01Å; P278-T280 VanDerWaalsContact O-N 3.16Å; P278-L281 WeakPolarHBondContact O-CB 3.4Å; P278-L281 PolarHBondContact O-N 3.11Å; P278-L281 VanDerWaalsContact O-N 3.07Å
279C88.8Confident89.5Confident6 Ų651.1 Ų51.14%0.04127%0.266CS..G310 helixtrans-65.6-19.4178.2-73.50000114.3C228 S233 L281 I282C228-C279 HydrophobicContact CB-CB 3.51Å; C228-C279 WeakPolarHBondContact CB-SG 3.36Å; C228-C279 WeakPolarHBondContact SG-CB 3.45Å; C228-C279 CovalentContact SG-SG 2.01Å; C228-C279 PolarHBondContact SG-SG 2.83Å; S233-C279 WeakPolarHBondContact O-CB 3.12Å; S233-C279 PolarHBondContact O-N 3.07Å; S233-C279 PolarHBondContact O-SG 3.37Å; S233-C279 PolarHBondContact OG-SG 3.15Å; C279-L281 PolarHBondContact O-N 3.31Å; C279-I282 HydrophobicContact CB-CD1 4.31Å; C279-I282 PolarHBondContact O-N 2.77Å
280T86.2Confident89.8Confident78 Ų7850.8 Ų50.848%0.47926%0.262SS..G310 helixtrans-59.8-31.217250.60000112.7V231 P278V231-T280 HydrophobicContact CG1-CG2 3.84Å; P278-T280 WeakPolarHBondContact CB-OG1 3.24Å; P278-T280 PolarHBondContact O-N 3.01Å; P278-T280 VanDerWaalsContact O-N 3.16Å
281L86.9Confident90.2Very high11 Ų1146.6 Ų46.66%0.05824%0.237CC..G310 helixtrans-75.3-20.3179.8-86.3-171.2000114P258 Q260 L261 M277 P278 C279 K283 T284 I286P258-L281 HydrophobicContact CB-CD1 4.12Å; P258-L281 HydrophobicContact CB-CD2 4.44Å; P258-L281 HydrophobicContact CG-CD1 3.43Å; P258-L281 VanDerWaalsContact CG-CD1 3.43Å; P258-L281 HydrophobicContact CG-CD2 4.41Å; Q260-L281 HydrophobicContact CB-CD1 3.92Å; Q260-L281 HydrophobicContact CB-CG 4.31Å; L261-L281 HydrophobicContact CD2-CD1 4.4Å; M277-L281 HydrophobicContact CG-CB 3.99Å; M277-L281 HydrophobicContact CG-CD1 4.04Å; M277-L281 HydrophobicContact SD-CB 4.33Å; P278-L281 WeakPolarHBondContact O-CB 3.4Å; P278-L281 PolarHBondContact O-N 3.11Å; P278-L281 VanDerWaalsContact O-N 3.07Å; C279-L281 PolarHBondContact O-N 3.31Å; L281-K283 PolarHBondContact O-N 3Å; L281-T284 PolarHBondContact O-N 3.17Å; L281-T284 VanDerWaalsContact O-N 3.15Å; L281-T284 PolarHBondContact O-OG1 2.73Å; L281-I286 HydrophobicContact CB-CD1 3.57Å; L281-I286 HydrophobicContact CD1-CD1 3.92Å; L281-I286 HydrophobicContact CD2-CD1 4.11Å; L281-I286 HydrophobicContact CG-CD1 4.07Å; L281-I286 WeakPolarHBondContact O-CD1 3.43Å
282I80.3Confident90.3Very high23 Ų2346.2 Ų46.212%0.11824%0.236CC..G310 helixtrans-64.2-33.3178.5-63.3172.5000111K226 C228 L235 M277 C279 T284K226-I282 WeakPolarHBondContact O-CG2 3.25Å; C228-I282 HydrophobicContact CB-CD1 3.35Å; L235-I282 HydrophobicContact CD1-CD1 3.4Å; L235-I282 VanDerWaalsContact CD1-CD1 3.4Å; L235-I282 HydrophobicContact CD1-CG1 4.34Å; M277-I282 HydrophobicContact CE-CD1 4.43Å; M277-I282 HydrophobicContact CE-CG1 3.73Å; C279-I282 HydrophobicContact CB-CD1 4.31Å; C279-I282 PolarHBondContact O-N 2.77Å; I282-T284 PolarHBondContact O-N 2.92Å
283K70.7Confident90.3Very high167 Ų16745.4 Ų45.473%0.72623%0.231SC*.G310 helixtrans-70.2-13.4179.8-66.4-172.3178.4-177.30113.4L281 N285L281-K283 PolarHBondContact O-N 3Å; K283-N285 VanDerWaalsContact C-N 3.34Å
284T77.1Confident90.4Very high89 Ų8947.1 Ų47.155%0.54624%0.24SC..G310 helixtrans-91.97.9-176.563.50000113.3L281 I282 I286L281-T284 PolarHBondContact O-N 3.17Å; L281-T284 VanDerWaalsContact O-N 3.15Å; L281-T284 PolarHBondContact O-OG1 2.73Å; I282-T284 PolarHBondContact O-N 2.92Å; T284-I286 PolarHBondContact O-N 3.09Å
285N77.6Confident90.4Very high140 Ų14047 Ų4775%0.74924%0.243SC*.THydrogen-bonded Turntrans49.955.7-177.3-75.4-18.1000112.3K283 E287K283-N285 VanDerWaalsContact C-N 3.34Å; N285-E287 PolarHBondContact O-N 3.42Å; N285-E287 VanDerWaalsContact O-N 3.09Å
286I82Confident90.3Very high33 Ų3350 Ų5017%0.16926%0.259CS..  trans-61.1117.7175.9-64.7163.7000109.3P223 P258 M277 L281 T284 L288 I289P223-I286 HydrophobicContact CG-CB 4.43Å; P223-I286 HydrophobicContact CG-CG2 4.26Å; P258-I286 HydrophobicContact CG-CD1 3.73Å; P258-I286 HydrophobicContact CG-CG1 4.42Å; M277-I286 HydrophobicContact SD-CD1 3.82Å; L281-I286 HydrophobicContact CB-CD1 3.57Å; L281-I286 HydrophobicContact CD1-CD1 3.92Å; L281-I286 HydrophobicContact CD2-CD1 4.11Å; L281-I286 HydrophobicContact CG-CD1 4.07Å; L281-I286 WeakPolarHBondContact O-CD1 3.43Å; T284-I286 PolarHBondContact O-N 3.09Å; I286-L288 WeakPolarHBondContact CG2-O 3.26Å; I286-I289 HydrophobicContact CG2-CG1 4.07Å
287E89.1Confident89.8Confident163 Ų16356.8 Ų56.876%0.76229%0.292SS*.  trans-84.7-25.5177.7-60.6-170.7159.100112.1V222 N285V222-E287 WeakPolarHBondContact CG1-O 3.37Å; V222-E287 WeakPolarHBondContact CG2-O 3.33Å; N285-E287 PolarHBondContact O-N 3.42Å; N285-E287 VanDerWaalsContact O-N 3.09Å
288L95.2Very high88.8Confident59 Ų5965.5 Ų65.531%0.30934%0.339SS..  trans-149.3133.2-176.2-164.969.4000111.2V206 A220 V222 I286 E290V206-L288 HydrophobicContact CB-CD1 4.24Å; V206-L288 HydrophobicContact CG1-CD1 4.39Å; V206-L288 HydrophobicContact CG2-CD1 3.97Å; A220-L288 HydrophobicContact CB-CD1 4.15Å; A220-L288 HydrophobicContact CB-CD2 4.47Å; A220-L288 HydrophobicContact CB-CG 4.39Å; V222-L288 HydrophobicContact CG2-CD1 4.47Å; I286-L288 WeakPolarHBondContact CG2-O 3.26Å; L288-E290 HydrophobicContact CD2-CG 3.8Å; L288-E290 HydrophobicContact CG-CG 4.04Å
289I96.3Very high88.6Confident0 Ų067.7 Ų67.70%035%0.348CS..EExtended strand (participates in β ladder)trans-103.1132.3164.4-71.5172.8000107.8A220 F221 P223 V237 N257 L261 M277 I286 I291A220-I289 CarbonylContact C-O 3.45Å; A220-I289 WeakPolarHBondContact CA-O 3.45Å; F221-I289 HydrophobicContact CD1-CB 4.29Å; F221-I289 HydrophobicContact CD1-CG2 4.14Å; F221-I289 HydrophobicContact CD2-CB 4.43Å; F221-I289 HydrophobicContact CE1-CB 3.93Å; F221-I289 HydrophobicContact CE1-CG2 3.44Å; F221-I289 VanDerWaalsContact CE1-CG2 3.44Å; F221-I289 HydrophobicContact CE2-CB 4.09Å; F221-I289 HydrophobicContact CE2-CD1 3.71Å; F221-I289 HydrophobicContact CE2-CG1 4.43Å; F221-I289 HydrophobicContact CE2-CG2 4.33Å; F221-I289 HydrophobicContact CZ-CB 3.82Å; F221-I289 HydrophobicContact CZ-CD1 3.75Å; F221-I289 HydrophobicContact CZ-CG1 4.38Å; F221-I289 HydrophobicContact CZ-CG2 3.55Å; F221-I289 PolarHBondContact N-O 3.46Å; F221-I289 PolarHBondContact O-N 3.05Å; P223-I289 HydrophobicContact CB-CD1 3.97Å; P223-I289 HydrophobicContact CG-CD1 4.05Å; P223-I289 HydrophobicContact CG-CG1 4.33Å; V237-I289 HydrophobicContact CG2-CD1 4.46Å; N257-I289 CarbonylContact O-C 3.55Å; N257-I289 WeakPolarHBondContact O-CA 3.4Å; L261-I289 HydrophobicContact CD1-CB 4.49Å; L261-I289 HydrophobicContact CD1-CG1 4.38Å; L261-I289 HydrophobicContact CD1-CG2 3.5Å; M277-I289 HydrophobicContact SD-CD1 3.97Å; I286-I289 HydrophobicContact CG2-CG1 4.07Å; I289-I291 HydrophobicContact CG2-CD1 4.31Å; I289-I291 HydrophobicContact CG2-CG1 4.15Å
290E98.3Very high88.6Confident48 Ų4870.9 Ų70.922%0.22437%0.365CS..EExtended strand (participates in β ladder)trans-124.4135.6174.4-49.4176.875.800110.3Y218 Y219 A220 F256 N257 L288Y218-E290 HydrophobicContact CE2-CB 4.22Å; Y218-E290 WeakPolarHBondContact CE2-OE1 3.48Å; Y218-E290 PolarHBondContact OH-OE1 3.37Å; Y219-E290 CarbonylContact O-C 3.49Å; Y219-E290 WeakPolarHBondContact O-CA 3.5Å; A220-E290 HydrophobicContact CB-CG 4.11Å; F256-E290 WeakPolarHBondContact CA-O 3.49Å; N257-E290 HydrophobicContact CB-CB 4.04Å; N257-E290 HydrophobicContact CB-CG 4.34Å; N257-E290 PolarHBondContact N-O 3.07Å; N257-E290 PolarHBondContact ND2-OE2 2.95Å; N257-E290 PolarHBondContact O-N 3.12Å; L288-E290 HydrophobicContact CD2-CG 3.8Å; L288-E290 HydrophobicContact CG-CG 4.04Å
291I98.6Very high88.8Confident0 Ų070.5 Ų70.50%036%0.358CS..EExtended strand (participates in β ladder)trans-128.4122.3-178.5-62.1165000107.4F217 Y218 Y219 F221 A238 I240 F256 V275 I289 I293F217-I291 HydrophobicContact CE1-CG2 4.25Å; Y218-I291 WeakPolarHBondContact CA-O 3.42Å; Y219-I291 HydrophobicContact CD1-CD1 4.38Å; Y219-I291 PolarHBondContact N-O 3.42Å; Y219-I291 PolarHBondContact O-N 3.09Å; F221-I291 HydrophobicContact CE1-CD1 3.89Å; A238-I291 HydrophobicContact CB-CD1 4.27Å; I240-I291 HydrophobicContact CD1-CD1 3.92Å; I240-I291 HydrophobicContact CD1-CG2 3.98Å; F256-I291 HydrophobicContact CD1-CB 4.3Å; F256-I291 HydrophobicContact CD1-CG1 3.91Å; F256-I291 HydrophobicContact CD1-CG2 4.16Å; F256-I291 HydrophobicContact CE1-CB 4.37Å; F256-I291 HydrophobicContact CE1-CG1 4.08Å; F256-I291 HydrophobicContact CE1-CG2 3.78Å; V275-I291 HydrophobicContact CB-CD1 4.31Å; V275-I291 HydrophobicContact CG1-CD1 4.07Å; V275-I291 HydrophobicContact CG2-CD1 4.06Å; I289-I291 HydrophobicContact CG2-CD1 4.31Å; I289-I291 HydrophobicContact CG2-CG1 4.15Å; I291-I293 HydrophobicContact CG2-CG1 4.18Å
292T98.7Very high88.9Confident30 Ų3074 Ų7418%0.18438%0.376CS..EExtended strand (participates in β ladder)trans-117.6130.6170.2-50.50000109.4F217 T254 R255 I294F217-T292 CarbonylContact O-C 3.55Å; F217-T292 VanDerWaalsContact O-CA 3.26Å; F217-T292 WeakPolarHBondContact O-CA 3.36Å; F217-T292 WeakPolarHBondContact O-CG2 3.38Å; T254-T292 CarbonylContact C-O 3.58Å; T254-T292 VanDerWaalsContact CA-O 3.31Å; T254-T292 WeakPolarHBondContact CA-O 3.22Å; R255-T292 PolarHBondContact N-O 3.28Å; R255-T292 PolarHBondContact O-N 3.08Å; T292-I294 HydrophobicContact CG2-CD1 4.17Å; T292-I294 HydrophobicContact CG2-CG1 3.86Å
293I98.4Very high89.4Confident2 Ų277.2 Ų77.21%0.0139%0.392CS..EExtended strand (participates in β ladder)trans-118.8127.7173.8-55.5175.4000107.7T196 F217 I240 V242 Y248 V252 T254 I291T196-I293 HydrophobicContact CG2-CD1 4.17Å; F217-I293 HydrophobicContact CB-CB 4.15Å; F217-I293 HydrophobicContact CD1-CB 4.11Å; F217-I293 HydrophobicContact CD1-CD1 3.9Å; F217-I293 HydrophobicContact CD1-CG1 3.89Å; F217-I293 HydrophobicContact CE1-CD1 4.24Å; F217-I293 PolarHBondContact N-O 3.05Å; F217-I293 PolarHBondContact O-N 3.39Å; I240-I293 HydrophobicContact CG2-CD1 4.16Å; V242-I293 HydrophobicContact CG2-CD1 4Å; Y248-I293 HydrophobicContact CE1-CG2 4.09Å; V252-I293 HydrophobicContact CB-CG2 3.82Å; V252-I293 HydrophobicContact CG1-CG2 3.71Å; T254-I293 HydrophobicContact CG2-CG1 4.29Å; I291-I293 HydrophobicContact CG2-CG1 4.18Å
294I98Very high90.6Very high38 Ų3871.2 Ų71.220%0.19537%0.37CS..EExtended strand (participates in β ladder)trans-126.5137.2-174.3-51.7173.1000107.4V216 V252 K253 T292V216-I294 HydrophobicContact CG2-CG2 4.35Å; V252-I294 WeakPolarHBondContact CA-O 3.29Å; K253-I294 PolarHBondContact N-O 3.04Å; K253-I294 PolarHBondContact O-N 3.35Å; T292-I294 HydrophobicContact CG2-CD1 4.17Å; T292-I294 HydrophobicContact CG2-CG1 3.86Å
295P97.3Very high91.6Very high30 Ų3069.9 Ų69.920%0.19536%0.357CS..EExtended strand (participates in β ladder)trans-62.4143170.7-18.730.8000112.4S214 Y248S214-P295 WeakPolarHBondContact O-CD 3.35Å; S214-P295 WeakPolarHBondContact O-CG 3.4Å; Y248-P295 HydrophobicContact CD1-CB 3.91Å; Y248-P295 HydrophobicContact CD1-CG 3.68Å; Y248-P295 HydrophobicContact CE1-CB 4.39Å; Y248-P295 HydrophobicContact CE1-CG 3.69Å
296N96Very high92.7Very high65 Ų6564.5 Ų64.535%0.34833%0.327SS..PPolyproline II helixtrans-66.5138.4166-73.1-21000109.6H250 G251 K253H250-N296 HydrophobicContact CB-CB 4.26Å; H250-N296 WeakPolarHBondContact O-CB 3.34Å; H250-N296 PolarHBondContact O-ND2 3.05Å; G251-N296 PolarHBondContact O-N 3.39Å; K253-N296 PolarHBondContact N-OD1 3.12Å
297Q85.6Confident93.6Very high186 Ų18667.2 Ų67.287%0.86934%0.34SS*.PPolyproline II helixtrans-76.5145.5170.2-64.6-165.6-17.400109.7
298N71.6Confident94Very high185 Ų18558.5 Ų58.599%0.98930%0.302SS*.  trans-62.80168.8-88.3-35.4000112.3H250H250-N298 VanDerWaalsContact CD2-CG 3.49Å; H250-N298 PolarHBondContact CD2-ND2 3.35Å; H250-N298 PolarHBondContact CD2-OD1 2.87Å; H250-N298 PolarHBondContact CE1-OD1 3.06Å; H250-N298 PolarHBondContact ND1-OD1 2.93Å; H250-N298 VanDerWaalsContact NE2-CG 3.34Å; H250-N298 PolarHBondContact NE2-ND2 3.43Å; H250-N298 PolarHBondContact NE2-OD1 3.24Å

Retrieved 298 of 298 residues in 211.4 ms (Link to these results)

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