A0A077ZJT0_TRITR Loading...

6phosphogluconolactonase putative

AlphaFold DB , UniProt , Accession A0A077ZJT0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 350 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
1M60.3Low87.8Confident130 Ų13053.7 Ų53.764%0.6427%0.27SS*.  0129.80-175.6171.9160.100106.7D5 Q6 Y11M1-D5 HydrophobicContact CE-CB 3.57Å; M1-D5 WeakPolarHBondContact CE-O 3.21Å; M1-D5 HydrophobicContact CG-CB 3.64Å; M1-D5 HydrophobicContact SD-CB 4.45Å; M1-Q6 VanDerWaalsContact CE-CA 3.5Å; M1-Q6 HydrophobicContact CE-CB 4.06Å; M1-Q6 HydrophobicContact CE-CG 3.42Å; M1-Q6 VanDerWaalsContact CE-CG 3.42Å; M1-Q6 HydrophobicContact CG-CG 4.04Å; M1-Q6 HydrophobicContact SD-CG 3.92Å; M1-Y11 HydrophobicContact CE-CD1 3.18Å; M1-Y11 HydrophobicContact CE-CD2 3.96Å; M1-Y11 HydrophobicContact CE-CE1 3.63Å; M1-Y11 HydrophobicContact CE-CE2 4.32Å; M1-Y11 HydrophobicContact CE-CG 3.38Å; M1-Y11 HydrophobicContact SD-CD1 4.02Å; M1-Y11 HydrophobicContact SD-CE1 4.07Å
2N82.1Confident88.5Confident93 Ų9349.3 Ų49.350%0.49725%0.248SC..  trans-74.3154.4-176.5-169.72.2000109.7L4 D5 Q6N2-L4 VanDerWaalsContact C-N 3.26Å; N2-L4 PolarHBondContact O-N 2.83Å; N2-D5 PolarHBondContact N-OD2 2.95Å; N2-D5 VanDerWaalsContact N-OD2 3.12Å; N2-D5 WeakPolarHBondContact O-CB 3.3Å; N2-D5 PolarHBondContact O-N 3.33Å; N2-Q6 PolarHBondContact O-N 3.18Å
3L84.9Confident89Confident33 Ų3354.3 Ų54.317%0.17327%0.267CS..Hα-helixtrans-50.4-46.3176.117655.7000111.2D5 Q6 L7 L23 I350L3-D5 VanDerWaalsContact C-N 3.27Å; L3-D5 PolarHBondContact O-N 3.4Å; L3-Q6 PolarHBondContact O-N 3.23Å; L3-L7 HydrophobicContact CD1-CD1 4.04Å; L3-L7 HydrophobicContact CD1-CG 4.27Å; L3-L7 HydrophobicContact CG-CD1 4.09Å; L3-L7 WeakPolarHBondContact O-CG 3.47Å; L3-L7 PolarHBondContact O-N 2.92Å; L3-L23 HydrophobicContact CD1-CD2 3.51Å; L3-I350 HydrophobicContact CB-CD1 4.01Å; L3-I350 HydrophobicContact CD2-CD1 3.62Å; L3-I350 HydrophobicContact CG-CD1 3.84Å
4L84.3Confident89.4Confident43 Ų4361.9 Ų61.923%0.22529%0.291CS..Hα-helixtrans-58.3-34.8177.2-72.4-175.5000113.8N2 Q6 L7 D8 I350N2-L4 VanDerWaalsContact C-N 3.26Å; N2-L4 PolarHBondContact O-N 2.83Å; L4-Q6 VanDerWaalsContact C-N 3.29Å; L4-Q6 PolarHBondContact O-N 3.36Å; L4-L7 PolarHBondContact O-N 2.62Å; L4-D8 PolarHBondContact O-N 3.03Å; L4-I350 HydrophobicContact CD1-CB 3.95Å; L4-I350 HydrophobicContact CD2-CB 4.07Å; L4-I350 HydrophobicContact CD2-CD1 3.76Å; L4-I350 HydrophobicContact CD2-CG1 3.73Å; L4-I350 HydrophobicContact CG-CB 3.92Å; L4-I350 HydrophobicContact CG-CD1 3.83Å; L4-I350 HydrophobicContact CG-CG1 4Å
5D88.4Confident89.9Confident44 Ų4459.4 Ų59.424%0.23528%0.28CS..Hα-helixtrans-67.8-34.1178.7-58.2-35.4000110.9M1 N2 L3 L7 D8 Y11 K72M1-D5 HydrophobicContact CE-CB 3.57Å; M1-D5 WeakPolarHBondContact CE-O 3.21Å; M1-D5 HydrophobicContact CG-CB 3.64Å; M1-D5 HydrophobicContact SD-CB 4.45Å; N2-D5 PolarHBondContact N-OD2 2.95Å; N2-D5 VanDerWaalsContact N-OD2 3.12Å; N2-D5 WeakPolarHBondContact O-CB 3.3Å; N2-D5 PolarHBondContact O-N 3.33Å; L3-D5 VanDerWaalsContact C-N 3.27Å; L3-D5 PolarHBondContact O-N 3.4Å; D5-L7 VanDerWaalsContact C-N 3.27Å; D5-L7 PolarHBondContact O-N 2.86Å; D5-D8 PolarHBondContact O-N 2.84Å; D5-Y11 WeakPolarHBondContact O-CB 3.17Å; D5-Y11 WeakPolarHBondContact O-CD2 3.36Å; D5-K72 IonicContact OD1-NZ 2.62Å; D5-K72 PolarHBondContact OD1-NZ 3.48Å
6Q92.5Very high90.3Very high60 Ų6060.2 Ų60.228%0.2829%0.287SS..Hα-helixtrans-74.3-24.1-178.4-65.3-179-52.900111.9M1 N2 L3 L4 L23M1-Q6 VanDerWaalsContact CE-CA 3.5Å; M1-Q6 HydrophobicContact CE-CB 4.06Å; M1-Q6 HydrophobicContact CE-CG 3.42Å; M1-Q6 VanDerWaalsContact CE-CG 3.42Å; M1-Q6 HydrophobicContact CG-CG 4.04Å; M1-Q6 HydrophobicContact SD-CG 3.92Å; N2-Q6 PolarHBondContact O-N 3.18Å; L3-Q6 PolarHBondContact O-N 3.23Å; L4-Q6 VanDerWaalsContact C-N 3.29Å; L4-Q6 PolarHBondContact O-N 3.36Å; Q6-L23 HydrophobicContact CB-CD1 3.92Å; Q6-L23 HydrophobicContact CB-CD2 4.4Å
7L95.7Very high90.7Very high0 Ų060.5 Ų60.50%030%0.295CS..THydrogen-bonded Turntrans-90.8-5.2178.8-57.1173.8000113.1L3 L4 D5 W12 L23 L27 F67 P69 G70 P133 I348L3-L7 HydrophobicContact CD1-CD1 4.04Å; L3-L7 HydrophobicContact CD1-CG 4.27Å; L3-L7 HydrophobicContact CG-CD1 4.09Å; L3-L7 WeakPolarHBondContact O-CG 3.47Å; L3-L7 PolarHBondContact O-N 2.92Å; L4-L7 PolarHBondContact O-N 2.62Å; D5-L7 VanDerWaalsContact C-N 3.27Å; D5-L7 PolarHBondContact O-N 2.86Å; L7-W12 HydrophobicContact CD2-CE3 4.25Å; L7-W12 HydrophobicContact CD2-CZ3 4.01Å; L7-L23 HydrophobicContact CD2-CB 4.16Å; L7-L23 HydrophobicContact CD2-CD1 4.15Å; L7-L27 HydrophobicContact CD1-CD1 3.98Å; L7-L27 HydrophobicContact CD1-CD2 3.74Å; L7-L27 HydrophobicContact CD1-CG 4.29Å; L7-L27 HydrophobicContact CD2-CD1 3.82Å; L7-F67 HydrophobicContact CB-CZ 4.43Å; L7-F67 HydrophobicContact CD2-CE1 4.31Å; L7-F67 HydrophobicContact CD2-CZ 3.84Å; L7-P69 CarbonylContact O-C 3.6Å; L7-P69 VanDerWaalsContact O-CA 3.32Å; L7-P69 WeakPolarHBondContact O-CA 3.34Å; L7-P69 WeakPolarHBondContact O-CB 3.35Å; L7-G70 PolarHBondContact O-N 3.17Å; L7-P133 HydrophobicContact CB-CB 3.95Å; L7-P133 HydrophobicContact CB-CG 3.45Å; L7-P133 VanDerWaalsContact CB-CG 3.45Å; L7-P133 HydrophobicContact CD1-CB 4.41Å; L7-P133 HydrophobicContact CD1-CG 4.16Å; L7-P133 HydrophobicContact CG-CG 4.46Å; L7-I348 HydrophobicContact CD1-CG2 4.26Å
8D95.6Very high91Very high10 Ų1066.2 Ų66.25%0.05332%0.318CS..BIsolated β-bridgetrans-69.3138.7168.6-179.288.9000110.1L4 D5 S10 Y11 W12 G70 N71 K72L4-D8 PolarHBondContact O-N 3.03Å; D5-D8 PolarHBondContact O-N 2.84Å; D8-S10 PolarHBondContact O-N 3.35Å; D8-S10 VanDerWaalsContact O-N 3.09Å; D8-S10 VanDerWaalsContact OD2-CB 3.26Å; D8-S10 WeakPolarHBondContact OD2-CB 3.48Å; D8-S10 PolarHBondContact OD2-N 2.7Å; D8-S10 PolarHBondContact OD2-OG 2.89Å; D8-Y11 HydrophobicContact CB-CD2 4.41Å; D8-Y11 PolarHBondContact O-N 2.78Å; D8-W12 PolarHBondContact O-N 2.95Å; D8-G70 CarbonylContact C-O 3.51Å; D8-G70 WeakPolarHBondContact CA-O 3.48Å; D8-N71 WeakPolarHBondContact OD1-CA 3.37Å; D8-K72 WeakPolarHBondContact OD1-CG 3.32Å; D8-K72 PolarHBondContact OD1-N 2.72Å
9W95Very high91.3Very high22 Ų2267.3 Ų67.38%0.08332%0.323CS..Hα-helixtrans-58.3-31.5-171.4-164.326000113.1Y11 K13 I51 P69 G70 A247 F280W9-Y11 VanDerWaalsContact C-N 3.29Å; W9-Y11 PolarHBondContact O-N 3.46Å; W9-K13 WeakPolarHBondContact O-CG 3.22Å; W9-K13 PolarHBondContact O-N 2.87Å; W9-I51 HydrophobicContact CH2-CG2 3.68Å; W9-I51 HydrophobicContact CZ2-CG2 3.93Å; W9-P69 HydrophobicContact CB-CB 4.18Å; W9-P69 HydrophobicContact CB-CG 4.07Å; W9-P69 HydrophobicContact CG-CG 3.88Å; W9-G70 WeakPolarHBondContact CB-O 3.46Å; W9-G70 PolarHBondContact N-O 3.15Å; W9-A247 HydrophobicContact CH2-CB 3.69Å; W9-A247 HydrophobicContact CZ3-CB 4.01Å; W9-F280 AromaticContact CE2-CE1 4Å; W9-F280 HydrophobicContact CH2-CZ 4.26Å; W9-F280 HydrophobicContact CZ2-CE1 4Å; W9-F280 HydrophobicContact CZ2-CZ 4.15Å
10S92.4Very high91.7Very high56 Ų5664.2 Ų64.239%0.39231%0.308SS..Hα-helixtrans-63.9-34.5177.269.40000112.5D8 R14D8-S10 PolarHBondContact O-N 3.35Å; D8-S10 VanDerWaalsContact O-N 3.09Å; D8-S10 VanDerWaalsContact OD2-CB 3.26Å; D8-S10 WeakPolarHBondContact OD2-CB 3.48Å; D8-S10 PolarHBondContact OD2-N 2.7Å; D8-S10 PolarHBondContact OD2-OG 2.89Å; S10-R14 PolarHBondContact O-NE 2.81Å; S10-R14 PolarHBondContact O-NH1 3.36Å; S10-R14 PolarHBondContact O-NH2 3.01Å
11Y94.8Very high91.9Very high100 Ų10067.7 Ų67.739%0.39232%0.318SS..Hα-helixtrans-88.9-42.1176.2-70.6-89.2000111.9M1 D5 D8 W9 K13 R14 L15M1-Y11 HydrophobicContact CE-CD1 3.18Å; M1-Y11 HydrophobicContact CE-CD2 3.96Å; M1-Y11 HydrophobicContact CE-CE1 3.63Å; M1-Y11 HydrophobicContact CE-CE2 4.32Å; M1-Y11 HydrophobicContact CE-CG 3.38Å; M1-Y11 HydrophobicContact SD-CD1 4.02Å; M1-Y11 HydrophobicContact SD-CE1 4.07Å; D5-Y11 WeakPolarHBondContact O-CB 3.17Å; D5-Y11 WeakPolarHBondContact O-CD2 3.36Å; D8-Y11 HydrophobicContact CB-CD2 4.41Å; D8-Y11 PolarHBondContact O-N 2.78Å; W9-Y11 VanDerWaalsContact C-N 3.29Å; W9-Y11 PolarHBondContact O-N 3.46Å; Y11-K13 PolarHBondContact O-N 2.87Å; Y11-K13 VanDerWaalsContact O-N 3.15Å; Y11-R14 WeakPolarHBondContact O-CA 3.33Å; Y11-R14 WeakPolarHBondContact O-CB 3.48Å; Y11-R14 PolarHBondContact O-N 2.9Å; Y11-L15 PolarHBondContact O-N 2.75Å
12W96.5Very high93.6Very high1 Ų164.9 Ų64.90%0.00431%0.308CS..Hα-helixtrans-51.3-41.2-179.3-178.3-99.5000112.9L7 D8 R14 L15 K20 L23 Q54 F56 F67 P69L7-W12 HydrophobicContact CD2-CE3 4.25Å; L7-W12 HydrophobicContact CD2-CZ3 4.01Å; D8-W12 PolarHBondContact O-N 2.95Å; W12-R14 PolarHBondContact O-N 2.92Å; W12-L15 HydrophobicContact CE3-CD1 3.87Å; W12-L15 HydrophobicContact CZ3-CD1 4.36Å; W12-L15 PolarHBondContact O-N 2.88Å; W12-K20 HydrophobicContact CD2-CG 4.45Å; W12-K20 HydrophobicContact CE3-CG 4.41Å; W12-K20 HydrophobicContact CH2-CB 3.88Å; W12-K20 HydrophobicContact CH2-CD 4.28Å; W12-K20 HydrophobicContact CH2-CG 3.88Å; W12-K20 HydrophobicContact CZ2-CB 4.18Å; W12-K20 HydrophobicContact CZ2-CD 3.77Å; W12-K20 HydrophobicContact CZ2-CG 3.89Å; W12-K20 HydrophobicContact CZ3-CB 4.37Å; W12-K20 HydrophobicContact CZ3-CG 4.14Å; W12-K20 WeakPolarHBondContact O-CE 3.41Å; W12-L23 HydrophobicContact CZ3-CD1 4.21Å; W12-Q54 PolarHBondContact NE1-O 2.89Å; W12-F56 HydrophobicContact CH2-CD2 4.11Å; W12-F56 HydrophobicContact CH2-CE2 4.01Å; W12-F56 HydrophobicContact CZ2-CD2 4.19Å; W12-F56 HydrophobicContact CZ2-CE2 4.29Å; W12-F67 HydrophobicContact CD2-CE1 4.18Å; W12-F67 AromaticContact CE3-CE1 3.92Å; W12-F67 HydrophobicContact CE3-CE1 3.92Å; W12-F67 AromaticContact CH2-CD1 3.65Å; W12-F67 HydrophobicContact CH2-CD1 3.65Å; W12-F67 AromaticContact CH2-CE1 3.58Å; W12-F67 HydrophobicContact CH2-CE1 3.58Å; W12-F67 AromaticContact CZ2-CD1 3.69Å; W12-F67 HydrophobicContact CZ2-CD1 3.69Å; W12-F67 AromaticContact CZ2-CE1 3.86Å; W12-F67 HydrophobicContact CZ2-CE1 3.86Å; W12-F67 HydrophobicContact CZ3-CD1 4.19Å; W12-F67 AromaticContact CZ3-CE1 3.62Å; W12-F67 HydrophobicContact CZ3-CE1 3.62Å; W12-P69 HydrophobicContact CB-CB 3.89Å; W12-P69 HydrophobicContact CB-CG 4.42Å; W12-P69 HydrophobicContact CD2-CB 4.4Å; W12-P69 HydrophobicContact CG-CB 3.86Å; W12-P69 HydrophobicContact CG-CG 4.14Å
13K94.2Very high94.3Very high114 Ų11460.8 Ų60.850%0.49629%0.286SS..THydrogen-bonded Turntrans-61.4-24.5177.4-72.6178.7-172.3-1780114W9 Y11W9-K13 WeakPolarHBondContact O-CG 3.22Å; W9-K13 PolarHBondContact O-N 2.87Å; Y11-K13 PolarHBondContact O-N 2.87Å; Y11-K13 VanDerWaalsContact O-N 3.15Å
14R95.3Very high94.9Very high161 Ų16159.5 Ų59.561%0.60828%0.279SS*.THydrogen-bonded Turntrans-93.2-15.1-178-62.2-174-73.6-111.2-0.6113.2S10 Y11 W12S10-R14 PolarHBondContact O-NE 2.81Å; S10-R14 PolarHBondContact O-NH1 3.36Å; S10-R14 PolarHBondContact O-NH2 3.01Å; Y11-R14 WeakPolarHBondContact O-CA 3.33Å; Y11-R14 WeakPolarHBondContact O-CB 3.48Å; Y11-R14 PolarHBondContact O-N 2.9Å; W12-R14 PolarHBondContact O-N 2.92Å
15L95.8Very high95.4Very high24 Ų2461 Ų6113%0.12629%0.294CS..  trans-70.4139.7-179.7-62.1179.4000110.9Y11 W12 E19 K20 L23Y11-L15 PolarHBondContact O-N 2.75Å; W12-L15 HydrophobicContact CE3-CD1 3.87Å; W12-L15 HydrophobicContact CZ3-CD1 4.36Å; W12-L15 PolarHBondContact O-N 2.88Å; L15-E19 WeakPolarHBondContact CA-OE2 3.44Å; L15-E19 HydrophobicContact CB-CB 4.16Å; L15-E19 HydrophobicContact CD2-CB 4.24Å; L15-K20 HydrophobicContact CB-CG 3.78Å; L15-K20 HydrophobicContact CD1-CG 4.36Å; L15-K20 WeakPolarHBondContact O-CE 3.45Å; L15-L23 HydrophobicContact CD1-CD1 3.36Å
16N96.3Very high95.7Very high72 Ų7262.7 Ų62.739%0.38530%0.3SS..  trans-75.9163.2171.67155.6000111.1K18 E19 K20N16-K18 PolarHBondContact O-N 3.17Å; N16-K18 VanDerWaalsContact O-N 3.15Å; N16-K18 WeakPolarHBondContact OD1-CA 3.47Å; N16-K18 WeakPolarHBondContact OD1-CB 3.46Å; N16-K18 PolarHBondContact OD1-N 3.41Å; N16-E19 VanDerWaalsContact CG-OE2 3.31Å; N16-E19 PolarHBondContact N-OE2 3.44Å; N16-E19 PolarHBondContact ND2-OE2 2.86Å; N16-E19 VanDerWaalsContact ND2-OE2 3.07Å; N16-E19 PolarHBondContact O-N 3.1Å; N16-E19 VanDerWaalsContact O-N 3.17Å; N16-E19 PolarHBondContact OD1-N 3.27Å; N16-K20 PolarHBondContact O-N 3.44Å
17P97.6Very high95.9Very high66 Ų6659.9 Ų59.943%0.42929%0.287SS..Hα-helixtrans-55.7-33.2-178.6-31.138000115.1R21 L43P17-R21 WeakPolarHBondContact O-CB 3.26Å; P17-R21 VanDerWaalsContact O-CG 3.3Å; P17-R21 WeakPolarHBondContact O-CG 3.32Å; P17-R21 PolarHBondContact O-N 3.01Å; P17-L43 HydrophobicContact CB-CD2 3.69Å; P17-L43 HydrophobicContact CG-CD2 4.06Å
18K96.9Very high95.9Very high163 Ų16360.8 Ų60.871%0.70929%0.292SS*.Hα-helixtrans-71.5-41.3179.7-175.6-178.5178-178.40111.5N16 R21 T22N16-K18 PolarHBondContact O-N 3.17Å; N16-K18 VanDerWaalsContact O-N 3.15Å; N16-K18 WeakPolarHBondContact OD1-CA 3.47Å; N16-K18 WeakPolarHBondContact OD1-CB 3.46Å; N16-K18 PolarHBondContact OD1-N 3.41Å; K18-R21 PolarHBondContact O-N 2.78Å; K18-T22 PolarHBondContact O-N 3.19Å; K18-T22 PolarHBondContact O-OG1 2.89Å
19E96.4Very high95.8Very high86 Ų8666.9 Ų66.940%0.40232%0.323SS..Hα-helixtrans-62.2-48.5174.2-70167.8153.400110.6L15 N16 R21 T22 L23L15-E19 WeakPolarHBondContact CA-OE2 3.44Å; L15-E19 HydrophobicContact CB-CB 4.16Å; L15-E19 HydrophobicContact CD2-CB 4.24Å; N16-E19 VanDerWaalsContact CG-OE2 3.31Å; N16-E19 PolarHBondContact N-OE2 3.44Å; N16-E19 PolarHBondContact ND2-OE2 2.86Å; N16-E19 VanDerWaalsContact ND2-OE2 3.07Å; N16-E19 PolarHBondContact O-N 3.1Å; N16-E19 VanDerWaalsContact O-N 3.17Å; N16-E19 PolarHBondContact OD1-N 3.27Å; E19-R21 VanDerWaalsContact C-N 3.34Å; E19-R21 PolarHBondContact O-N 3.13Å; E19-T22 WeakPolarHBondContact O-CB 3.34Å; E19-T22 PolarHBondContact O-N 3.38Å; E19-T22 VanDerWaalsContact O-N 3.11Å; E19-L23 WeakPolarHBondContact O-CG 3.35Å; E19-L23 PolarHBondContact O-N 2.96Å
20K98Very high95.7Very high5 Ų572.1 Ų72.12%0.02235%0.349CS..Hα-helixtrans-55.2-46.4175.3-69.9-174.8-178.31770112W12 L15 N16 T22 L23 L24 L43 Q54 F56W12-K20 HydrophobicContact CD2-CG 4.45Å; W12-K20 HydrophobicContact CE3-CG 4.41Å; W12-K20 HydrophobicContact CH2-CB 3.88Å; W12-K20 HydrophobicContact CH2-CD 4.28Å; W12-K20 HydrophobicContact CH2-CG 3.88Å; W12-K20 HydrophobicContact CZ2-CB 4.18Å; W12-K20 HydrophobicContact CZ2-CD 3.77Å; W12-K20 HydrophobicContact CZ2-CG 3.89Å; W12-K20 HydrophobicContact CZ3-CB 4.37Å; W12-K20 HydrophobicContact CZ3-CG 4.14Å; W12-K20 WeakPolarHBondContact O-CE 3.41Å; L15-K20 HydrophobicContact CB-CG 3.78Å; L15-K20 HydrophobicContact CD1-CG 4.36Å; L15-K20 WeakPolarHBondContact O-CE 3.45Å; N16-K20 PolarHBondContact O-N 3.44Å; K20-T22 VanDerWaalsContact C-N 3.32Å; K20-T22 PolarHBondContact O-N 2.94Å; K20-L23 PolarHBondContact O-N 3.13Å; K20-L24 WeakPolarHBondContact O-CB 2.75Å; K20-L24 PolarHBondContact O-N 3.27Å; K20-L43 HydrophobicContact CD-CD1 4.12Å; K20-Q54 PolarHBondContact NZ-O 3.4Å; K20-F56 VanDerWaalsContact C-CE2 3.49Å; K20-F56 HydrophobicContact CB-CE2 3.66Å; K20-F56 HydrophobicContact CB-CZ 3.93Å; K20-F56 WeakPolarHBondContact O-CE2 3.19Å
21R97.5Very high95.7Very high138 Ų13871.7 Ų71.752%0.52134%0.34SS..Hα-helixtrans-61.7-38.6177.5-76.8179.1-175.7-110.10.3112.5P17 K18 E19 S25 F56P17-R21 WeakPolarHBondContact O-CB 3.26Å; P17-R21 VanDerWaalsContact O-CG 3.3Å; P17-R21 WeakPolarHBondContact O-CG 3.32Å; P17-R21 PolarHBondContact O-N 3.01Å; K18-R21 PolarHBondContact O-N 2.78Å; E19-R21 VanDerWaalsContact C-N 3.34Å; E19-R21 PolarHBondContact O-N 3.13Å; R21-S25 WeakPolarHBondContact O-CB 3.34Å; R21-S25 PolarHBondContact O-N 3.3Å; R21-S25 PolarHBondContact O-OG 2.78Å; R21-F56 HydrophobicContact CB-CZ 4.2Å; R21-F56 HydrophobicContact CG-CE1 3.82Å; R21-F56 HydrophobicContact CG-CZ 3.56Å
22T96.1Very high95.7Very high71 Ų7167.2 Ų67.244%0.43632%0.323SS..Hα-helixtrans-65-46.7178.2-55.70000110.6K18 E19 K20 S25 Q26K18-T22 PolarHBondContact O-N 3.19Å; K18-T22 PolarHBondContact O-OG1 2.89Å; E19-T22 WeakPolarHBondContact O-CB 3.34Å; E19-T22 PolarHBondContact O-N 3.38Å; E19-T22 VanDerWaalsContact O-N 3.11Å; K20-T22 VanDerWaalsContact C-N 3.32Å; K20-T22 PolarHBondContact O-N 2.94Å; T22-S25 PolarHBondContact O-N 2.82Å; T22-Q26 WeakPolarHBondContact O-CG 3.46Å; T22-Q26 PolarHBondContact O-N 2.85Å
23L96.3Very high95.5Very high8 Ų868.5 Ų68.54%0.04233%0.33CS..Hα-helixtrans-63.8-45.6176.9-64.2173.4000111.6L3 Q6 L7 W12 L15 E19 K20 S25 Q26 L27L3-L23 HydrophobicContact CD1-CD2 3.51Å; Q6-L23 HydrophobicContact CB-CD1 3.92Å; Q6-L23 HydrophobicContact CB-CD2 4.4Å; L7-L23 HydrophobicContact CD2-CB 4.16Å; L7-L23 HydrophobicContact CD2-CD1 4.15Å; W12-L23 HydrophobicContact CZ3-CD1 4.21Å; L15-L23 HydrophobicContact CD1-CD1 3.36Å; E19-L23 WeakPolarHBondContact O-CG 3.35Å; E19-L23 PolarHBondContact O-N 2.96Å; K20-L23 PolarHBondContact O-N 3.13Å; L23-S25 VanDerWaalsContact C-N 3.31Å; L23-S25 PolarHBondContact O-N 2.85Å; L23-Q26 WeakPolarHBondContact O-CB 3.44Å; L23-Q26 PolarHBondContact O-N 3.2Å; L23-Q26 VanDerWaalsContact O-N 3.16Å; L23-L27 WeakPolarHBondContact O-CG 3.48Å; L23-L27 PolarHBondContact O-N 2.83Å
24L96.8Very high95.4Very high5 Ų569 Ų693%0.02635%0.345CS..Hα-helixtrans-55.7-47176.2-176.578.8000111.4K20 Q26 L27 L28 I41 F56 F67 F135K20-L24 WeakPolarHBondContact O-CB 2.75Å; K20-L24 PolarHBondContact O-N 3.27Å; L24-Q26 VanDerWaalsContact C-N 3.26Å; L24-Q26 PolarHBondContact O-N 2.86Å; L24-L27 WeakPolarHBondContact O-CB 3.47Å; L24-L27 PolarHBondContact O-N 2.67Å; L24-L28 HydrophobicContact CD1-CG 4.48Å; L24-L28 HydrophobicContact CD2-CD1 4.22Å; L24-L28 HydrophobicContact CG-CD1 4Å; L24-L28 HydrophobicContact CG-CG 4.22Å; L24-L28 WeakPolarHBondContact O-CG 3.49Å; L24-L28 PolarHBondContact O-N 3.03Å; L24-I41 HydrophobicContact CD2-CG2 3.45Å; L24-I41 VanDerWaalsContact CD2-CG2 3.45Å; L24-F56 HydrophobicContact CB-CD2 3.9Å; L24-F56 HydrophobicContact CB-CE2 3.74Å; L24-F56 HydrophobicContact CB-CZ 4.34Å; L24-F56 HydrophobicContact CD1-CB 3.99Å; L24-F56 HydrophobicContact CD1-CD2 3.76Å; L24-F56 HydrophobicContact CD1-CE2 4.47Å; L24-F56 HydrophobicContact CD1-CG 4.02Å; L24-F56 HydrophobicContact CD2-CB 4Å; L24-F56 HydrophobicContact CD2-CD1 3.66Å; L24-F56 HydrophobicContact CD2-CD2 3.69Å; L24-F56 HydrophobicContact CD2-CE1 3.98Å; L24-F56 HydrophobicContact CD2-CE2 3.97Å; L24-F56 HydrophobicContact CD2-CG 3.51Å; L24-F56 HydrophobicContact CD2-CZ 4.13Å; L24-F56 HydrophobicContact CG-CD2 3.98Å; L24-F56 HydrophobicContact CG-CE2 4.27Å; L24-F56 HydrophobicContact CG-CG 4.23Å; L24-F67 HydrophobicContact CD1-CB 4.37Å; L24-F135 HydrophobicContact CD1-CE1 3.65Å; L24-F135 HydrophobicContact CD1-CZ 3.76Å
25S95.6Very high95.3Very high75 Ų7568.9 Ų68.952%0.52436%0.355SS..Hα-helixtrans-59.6-39.2-179.8-56.40000111.9R21 T22 L23 L29R21-S25 WeakPolarHBondContact O-CB 3.34Å; R21-S25 PolarHBondContact O-N 3.3Å; R21-S25 PolarHBondContact O-OG 2.78Å; T22-S25 PolarHBondContact O-N 2.82Å; L23-S25 VanDerWaalsContact C-N 3.31Å; L23-S25 PolarHBondContact O-N 2.85Å; S25-L29 WeakPolarHBondContact O-CB 3.33Å; S25-L29 PolarHBondContact O-N 3.2Å
26Q94.6Very high95.2Very high80 Ų8068.4 Ų68.437%0.37435%0.353SS..Hα-helixtrans-65.9-43.8173.6-66.617512.600111.2T22 L23 L24 L29 H30T22-Q26 WeakPolarHBondContact O-CG 3.46Å; T22-Q26 PolarHBondContact O-N 2.85Å; L23-Q26 WeakPolarHBondContact O-CB 3.44Å; L23-Q26 PolarHBondContact O-N 3.2Å; L23-Q26 VanDerWaalsContact O-N 3.16Å; L24-Q26 VanDerWaalsContact C-N 3.26Å; L24-Q26 PolarHBondContact O-N 2.86Å; Q26-L29 PolarHBondContact O-N 3.05Å; Q26-H30 PolarHBondContact O-N 2.89Å; Q26-H30 VanDerWaalsContact O-N 3.14Å; Q26-H30 PolarHBondContact O-ND1 3.02Å
27L95.9Very high95.1Very high0 Ų070.7 Ų70.70%036%0.359CS..Hα-helixtrans-62.4-45.4179.5-69.2177.5000112.6L7 L23 L24 L29 H30 F31 F67 F135 I348L7-L27 HydrophobicContact CD1-CD1 3.98Å; L7-L27 HydrophobicContact CD1-CD2 3.74Å; L7-L27 HydrophobicContact CD1-CG 4.29Å; L7-L27 HydrophobicContact CD2-CD1 3.82Å; L23-L27 WeakPolarHBondContact O-CG 3.48Å; L23-L27 PolarHBondContact O-N 2.83Å; L24-L27 WeakPolarHBondContact O-CB 3.47Å; L24-L27 PolarHBondContact O-N 2.67Å; L27-L29 VanDerWaalsContact C-N 3.3Å; L27-L29 PolarHBondContact O-N 3.09Å; L27-H30 PolarHBondContact O-N 3.46Å; L27-F31 HydrophobicContact CD2-CD2 3.92Å; L27-F31 HydrophobicContact CD2-CE2 3.92Å; L27-F31 WeakPolarHBondContact O-CB 3.48Å; L27-F31 PolarHBondContact O-N 2.88Å; L27-F67 HydrophobicContact CD1-CD2 4.02Å; L27-F67 HydrophobicContact CD1-CE2 3.43Å; L27-F67 VanDerWaalsContact CD1-CE2 3.43Å; L27-F67 HydrophobicContact CD1-CZ 3.76Å; L27-F135 HydrophobicContact CB-CE2 4.04Å; L27-F135 HydrophobicContact CB-CZ 4.08Å; L27-I348 HydrophobicContact CD2-CD1 4.17Å; L27-I348 HydrophobicContact CD2-CG1 4.18Å; L27-I348 HydrophobicContact CD2-CG2 3.6Å
28L95.7Very high95Very high20 Ų2070.4 Ų70.411%0.10535%0.354CS..Hα-helixtrans-60.2-42.7177.5-65.3176.1000111.3L24 H30 V32 I38 I41 L58 F135L24-L28 HydrophobicContact CD1-CG 4.48Å; L24-L28 HydrophobicContact CD2-CD1 4.22Å; L24-L28 HydrophobicContact CG-CD1 4Å; L24-L28 HydrophobicContact CG-CG 4.22Å; L24-L28 WeakPolarHBondContact O-CG 3.49Å; L24-L28 PolarHBondContact O-N 3.03Å; L28-H30 PolarHBondContact O-N 3.39Å; L28-V32 HydrophobicContact CD2-CG2 3.7Å; L28-V32 WeakPolarHBondContact O-CB 3.5Å; L28-V32 PolarHBondContact O-N 2.94Å; L28-I38 HydrophobicContact CB-CD1 4.14Å; L28-I38 HydrophobicContact CD1-CD1 4.47Å; L28-I38 HydrophobicContact CD1-CG2 4.28Å; L28-I38 HydrophobicContact CD2-CD1 4.12Å; L28-I38 HydrophobicContact CG-CD1 4.46Å; L28-I41 HydrophobicContact CD1-CD1 3.81Å; L28-L58 HydrophobicContact CD1-CD1 4.42Å; L28-L58 HydrophobicContact CD2-CD1 3.59Å; L28-F135 HydrophobicContact CD2-CE1 3.96Å; L28-F135 HydrophobicContact CD2-CE2 4.19Å; L28-F135 HydrophobicContact CD2-CZ 3.56Å; L28-F135 HydrophobicContact CG-CZ 4.25Å
29L93.3Very high95Very high137 Ų13764.2 Ų64.272%0.71733%0.331SS*.Hα-helixtrans-64.6-35.6179.6-177.864.1000113.5S25 Q26 L27S25-L29 WeakPolarHBondContact O-CB 3.33Å; S25-L29 PolarHBondContact O-N 3.2Å; Q26-L29 PolarHBondContact O-N 3.05Å; L27-L29 VanDerWaalsContact C-N 3.3Å; L27-L29 PolarHBondContact O-N 3.09Å
30H92.7Very high95Very high133 Ų13363.9 Ų63.962%0.61633%0.332SS*.Hα-helixtrans-98.3-27.8-171.7-66.188.3000114.3Q26 L27 L28Q26-H30 PolarHBondContact O-N 2.89Å; Q26-H30 VanDerWaalsContact O-N 3.14Å; Q26-H30 PolarHBondContact O-ND1 3.02Å; L27-H30 PolarHBondContact O-N 3.46Å; L28-H30 PolarHBondContact O-N 3.39Å
31F94.4Very high95Very high46 Ų4667 Ų6720%0.20235%0.348CS..Hα-helixtrans-115.9-24.8-170.5-66.2-86.3000114.3L27 I346 I348 I350L27-F31 HydrophobicContact CD2-CD2 3.92Å; L27-F31 HydrophobicContact CD2-CE2 3.92Å; L27-F31 WeakPolarHBondContact O-CB 3.48Å; L27-F31 PolarHBondContact O-N 2.88Å; F31-I346 HydrophobicContact CB-CG2 4.02Å; F31-I348 HydrophobicContact CB-CD1 3.61Å; F31-I348 HydrophobicContact CD1-CD1 3.86Å; F31-I348 HydrophobicContact CD1-CG2 4.48Å; F31-I348 HydrophobicContact CD2-CD1 3.73Å; F31-I348 HydrophobicContact CD2-CG2 4.14Å; F31-I348 HydrophobicContact CE1-CG2 4.06Å; F31-I348 HydrophobicContact CE2-CD1 4.39Å; F31-I348 HydrophobicContact CE2-CG2 3.68Å; F31-I348 HydrophobicContact CG-CD1 3.44Å; F31-I348 VanDerWaalsContact CG-CD1 3.44Å; F31-I348 HydrophobicContact CZ-CG2 3.65Å; F31-I350 HydrophobicContact CZ-CG1 3.86Å
32V94.5Very high95.1Very high6 Ų664.2 Ų64.24%0.03634%0.341CS..SBendtrans-87.7137.5177.1-174.90000109L28 M36 I38 I60 F135 I346L28-V32 HydrophobicContact CD2-CG2 3.7Å; L28-V32 WeakPolarHBondContact O-CB 3.5Å; L28-V32 PolarHBondContact O-N 2.94Å; V32-M36 HydrophobicContact CG1-CB 4.38Å; V32-M36 HydrophobicContact CG1-SD 4Å; V32-I38 HydrophobicContact CB-CD1 4.26Å; V32-I38 HydrophobicContact CG1-CD1 3.95Å; V32-I38 HydrophobicContact CG1-CG1 4.25Å; V32-I60 HydrophobicContact CG1-CD1 4.44Å; V32-I60 HydrophobicContact CG1-CG2 4.34Å; V32-I60 HydrophobicContact CG2-CD1 4.5Å; V32-F135 HydrophobicContact CG2-CD2 4.45Å; V32-F135 HydrophobicContact CG2-CE2 4.29Å; V32-I346 HydrophobicContact CB-CD1 4.43Å; V32-I346 HydrophobicContact CG1-CD1 4.37Å; V32-I346 HydrophobicContact CG2-CD1 3.85Å
33N92Very high95.2Very high28 Ų2862.7 Ų62.715%0.1533%0.33CS..  trans-59.4124.3178.5-178.5-23.2000109.5L35 M36N33-L35 PolarHBondContact O-N 3Å; N33-L35 WeakPolarHBondContact OD1-CB 3.26Å; N33-L35 PolarHBondContact OD1-N 3.05Å; N33-M36 HydrophobicContact CB-CE 4.13Å; N33-M36 HydrophobicContact CB-CG 3.99Å; N33-M36 HydrophobicContact CB-SD 3.83Å; N33-M36 WeakPolarHBondContact O-CB 3.36Å; N33-M36 PolarHBondContact O-N 3.23Å
34P91.9Very high95.3Very high126 Ų12665.1 Ų65.182%0.81834%0.34SS*.THydrogen-bonded Turntrans-65.4-12.8-175.327-36.7000114M36P34-M36 VanDerWaalsContact C-N 3.32Å
35L93.1Very high95.4Very high158 Ų15870.6 Ų70.683%0.82737%0.369SS*.THydrogen-bonded Turntrans-81.5-12173.9-58.9178.9000113.1N33N33-L35 PolarHBondContact O-N 3Å; N33-L35 WeakPolarHBondContact OD1-CB 3.26Å; N33-L35 PolarHBondContact OD1-N 3.05Å
36M93.5Very high95.5Very high14 Ų1467.2 Ų67.27%0.06935%0.345CS..SBendtrans-81.7142.8178.9-68.2172.6168.100111.4V32 N33 P34 I38 I60 D61 K231 F233V32-M36 HydrophobicContact CG1-CB 4.38Å; V32-M36 HydrophobicContact CG1-SD 4Å; N33-M36 HydrophobicContact CB-CE 4.13Å; N33-M36 HydrophobicContact CB-CG 3.99Å; N33-M36 HydrophobicContact CB-SD 3.83Å; N33-M36 WeakPolarHBondContact O-CB 3.36Å; N33-M36 PolarHBondContact O-N 3.23Å; P34-M36 VanDerWaalsContact C-N 3.32Å; M36-I38 PolarHBondContact O-N 2.61Å; M36-I60 HydrophobicContact CB-CG2 3.94Å; M36-I60 HydrophobicContact CG-CG2 4.21Å; M36-I60 HydrophobicContact SD-CG2 3.53Å; M36-I60 VanDerWaalsContact SD-CG2 3.53Å; M36-D61 VanDerWaalsContact CA-OD1 3.26Å; M36-D61 WeakPolarHBondContact CA-OD1 3.5Å; M36-D61 WeakPolarHBondContact CB-OD1 3.43Å; M36-K231 HydrophobicContact CE-CB 3.53Å; M36-K231 HydrophobicContact CE-CD 3.95Å; M36-K231 HydrophobicContact CE-CG 3.97Å; M36-K231 WeakPolarHBondContact CE-O 3.4Å; M36-F233 HydrophobicContact CE-CD2 4.12Å; M36-F233 HydrophobicContact CE-CE2 3.33Å; M36-F233 HydrophobicContact CE-CZ 3.57Å; M36-F233 HydrophobicContact SD-CE2 4.35Å; M36-F233 HydrophobicContact SD-CZ 4Å
37K93.7Very high95.6Very high120 Ų12066.8 Ų66.852%0.52235%0.345SS..PPolyproline II helixtrans-81.7117.7174.1-176.2-173173.2-160.20109.2I60 D61 E62K37-I60 WeakPolarHBondContact O-CA 3.47Å; K37-D61 PolarHBondContact N-OD1 2.84Å; K37-D61 PolarHBondContact O-N 3.08Å; K37-E62 IonicContact NZ-OE1 3.56Å; K37-E62 PolarHBondContact NZ-OE1 3.24Å
38I96.8Very high95.7Very high60 Ų6066.9 Ų66.931%0.30835%0.346SS..EExtended strand (participates in β ladder)trans-101.1129.1173.1-57.2163.6000108.9L28 V32 M36 I41 L58 L59L28-I38 HydrophobicContact CB-CD1 4.14Å; L28-I38 HydrophobicContact CD1-CD1 4.47Å; L28-I38 HydrophobicContact CD1-CG2 4.28Å; L28-I38 HydrophobicContact CD2-CD1 4.12Å; L28-I38 HydrophobicContact CG-CD1 4.46Å; V32-I38 HydrophobicContact CB-CD1 4.26Å; V32-I38 HydrophobicContact CG1-CD1 3.95Å; V32-I38 HydrophobicContact CG1-CG1 4.25Å; M36-I38 PolarHBondContact O-N 2.61Å; I38-I41 HydrophobicContact CG2-CD1 3.85Å; I38-I41 HydrophobicContact CG2-CG1 4.04Å; I38-L58 HydrophobicContact CG2-CD1 4.01Å; I38-L59 WeakPolarHBondContact CA-O 3.47Å
39S96.6Very high95.5Very high33 Ų3370.9 Ų70.923%0.23136%0.36CS..EExtended strand (participates in β ladder)trans-149.6178.2177.264.50000112.2I41 L59S39-I41 VanDerWaalsContact C-N 3.32Å; S39-I41 PolarHBondContact O-N 2.8Å; S39-L59 PolarHBondContact N-O 2.95Å; S39-L59 PolarHBondContact O-N 3.02Å
40D96.6Very high95.5Very high78 Ų7867.4 Ų67.442%0.41736%0.357SS..EExtended strand (participates in β ladder)trans49.345176.4-159.736.5000115.3E42 L58 L59D40-E42 PolarHBondContact O-N 2.86Å; D40-L58 WeakPolarHBondContact O-CA 3.46Å; D40-L59 HydrophobicContact CB-CD1 3.77Å; D40-L59 HydrophobicContact CB-CG 3.95Å
41I98.3Very high95.7Very high70 Ų7062.6 Ų62.636%0.35934%0.336SS..EExtended strand (participates in β ladder)trans-76.4108.4-178.8-56174.3000109.9L24 L28 I38 S39 F56 Q57 L58L24-I41 HydrophobicContact CD2-CG2 3.45Å; L24-I41 VanDerWaalsContact CD2-CG2 3.45Å; L28-I41 HydrophobicContact CD1-CD1 3.81Å; I38-I41 HydrophobicContact CG2-CD1 3.85Å; I38-I41 HydrophobicContact CG2-CG1 4.04Å; S39-I41 VanDerWaalsContact C-N 3.32Å; S39-I41 PolarHBondContact O-N 2.8Å; I41-F56 HydrophobicContact CG2-CD1 3.96Å; I41-Q57 WeakPolarHBondContact CA-O 3.23Å; I41-L58 HydrophobicContact CG1-CB 3.99Å
42E98.3Very high95.7Very high81 Ų8167.1 Ų67.138%0.37936%0.355SS..EExtended strand (participates in β ladder)trans-125.2133.4-177.2-61.4-164.8134.700111.8D40 K44 F56 Q57D40-E42 PolarHBondContact O-N 2.86Å; E42-K44 HydrophobicContact CB-CG 4.33Å; E42-K44 WeakPolarHBondContact OE2-CE 3.39Å; E42-K44 IonicContact OE2-NZ 3.56Å; E42-K44 PolarHBondContact OE2-NZ 2.85Å; E42-F56 CarbonylContact O-C 3.57Å; E42-F56 VanDerWaalsContact O-CA 3.26Å; E42-F56 WeakPolarHBondContact O-CA 3.3Å; E42-Q57 PolarHBondContact N-O 3.34Å; E42-Q57 PolarHBondContact O-N 2.96Å
43L98.5Very high95.9Very high38 Ų3867 Ų6720%0.19935%0.354CS..EExtended strand (participates in β ladder)trans-86.7114.1170.7-176.866.4000108.5P17 K20 Q54 F56P17-L43 HydrophobicContact CB-CD2 3.69Å; P17-L43 HydrophobicContact CG-CD2 4.06Å; K20-L43 HydrophobicContact CD-CD1 4.12Å; L43-Q54 HydrophobicContact CD1-CG 3.91Å; L43-Q54 HydrophobicContact CD2-CG 4.42Å; L43-Q54 HydrophobicContact CG-CG 3.95Å; L43-F56 HydrophobicContact CB-CD1 3.99Å; L43-F56 HydrophobicContact CB-CE1 3.73Å; L43-F56 HydrophobicContact CB-CZ 4.45Å; L43-F56 HydrophobicContact CD1-CD1 4.12Å; L43-F56 HydrophobicContact CD1-CD2 4.32Å; L43-F56 HydrophobicContact CD1-CE1 3.93Å; L43-F56 HydrophobicContact CD1-CE2 4.16Å; L43-F56 HydrophobicContact CD1-CG 4.31Å; L43-F56 HydrophobicContact CD1-CZ 3.93Å; L43-F56 HydrophobicContact CG-CE1 4.34Å
44K98.5Very high96.2Very high60 Ų6068.1 Ų68.126%0.26136%0.359SS..EExtended strand (participates in β ladder)trans-118.7151.8-176.7-67.4-173.7179.1171.70111.8E42 F46 Q54 T55 Q57E42-K44 HydrophobicContact CB-CG 4.33Å; E42-K44 WeakPolarHBondContact OE2-CE 3.39Å; E42-K44 IonicContact OE2-NZ 3.56Å; E42-K44 PolarHBondContact OE2-NZ 2.85Å; K44-F46 HydrophobicContact CB-CD2 4.5Å; K44-F46 HydrophobicContact CB-CE1 4.22Å; K44-F46 HydrophobicContact CB-CE2 3.86Å; K44-F46 HydrophobicContact CB-CZ 3.71Å; K44-F46 HydrophobicContact CD-CE1 4.38Å; K44-F46 HydrophobicContact CD-CZ 4.02Å; K44-F46 HydrophobicContact CG-CZ 4.44Å; K44-Q54 CarbonylContact O-C 3.51Å; K44-Q54 WeakPolarHBondContact O-CA 3.29Å; K44-Q54 WeakPolarHBondContact O-CG 3.22Å; K44-T55 PolarHBondContact N-O 2.85Å; K44-T55 PolarHBondContact O-N 2.96Å; K44-Q57 HydrophobicContact CD-CB 4.14Å; K44-Q57 VanDerWaalsContact NZ-CD 3.34Å
45D98.3Very high96.5Very high119 Ų11962.1 Ų62.164%0.63632%0.32SS*.EExtended strand (participates in β ladder)trans-100.2110.1172.7-74.3-80.2000109.3Q54D45-Q54 WeakPolarHBondContact OD1-CB 3.4Å; D45-Q54 VanDerWaalsContact OD1-CG 3.28Å; D45-Q54 WeakPolarHBondContact OD1-CG 3.4Å; D45-Q54 PolarHBondContact OD1-NE2 3.5Å; D45-Q54 PolarHBondContact OD2-NE2 3.47Å
46F98.4Very high96.7Very high5 Ų554.6 Ų54.62%0.02228%0.281CS..EExtended strand (participates in β ladder)trans-100.5144.7175.7-59.8-68.9000110.9K44 K52 C53 T55 V66 E277 M279 G281K44-F46 HydrophobicContact CB-CD2 4.5Å; K44-F46 HydrophobicContact CB-CE1 4.22Å; K44-F46 HydrophobicContact CB-CE2 3.86Å; K44-F46 HydrophobicContact CB-CZ 3.71Å; K44-F46 HydrophobicContact CD-CE1 4.38Å; K44-F46 HydrophobicContact CD-CZ 4.02Å; K44-F46 HydrophobicContact CG-CZ 4.44Å; F46-K52 CarbonylContact O-C 3.57Å; F46-K52 VanDerWaalsContact O-CA 3.28Å; F46-K52 WeakPolarHBondContact O-CA 3.35Å; F46-C53 PolarHBondContact N-O 2.97Å; F46-C53 PolarHBondContact O-N 3.25Å; F46-T55 HydrophobicContact CD2-CG2 3.93Å; F46-T55 HydrophobicContact CE2-CG2 3.95Å; F46-V66 HydrophobicContact CE2-CG1 4.28Å; F46-V66 HydrophobicContact CE2-CG2 4.34Å; F46-V66 HydrophobicContact CZ-CG2 4.35Å; F46-E277 HydrophobicContact CD1-CG 4.35Å; F46-E277 WeakPolarHBondContact CD1-OE1 3.2Å; F46-M279 WeakPolarHBondContact CB-O 3.34Å; F46-G281 VanDerWaalsContact CD1-CA 3.41Å; F46-G281 VanDerWaalsContact CE1-CA 3.48Å
47D96.9Very high97Very high71 Ų7154.2 Ų54.238%0.3828%0.279SS..EExtended strand (participates in β ladder)trans-146.5129.4177.8-17512.6000110.3G50 I51 K52D47-G50 PolarHBondContact OD1-N 2.91Å; D47-I51 WeakPolarHBondContact CA-O 3.47Å; D47-I51 PolarHBondContact OD1-N 3.34Å; D47-K52 HydrophobicContact CB-CG 3.97Å; D47-K52 WeakPolarHBondContact OD2-CE 3.44Å
48L97Very high97.2Very high2 Ų248.6 Ų48.61%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-137.2125.8165.2-177.168.1000109.7G50 I51 R254 M273 Q276 N278 M279L48-G50 PolarHBondContact O-N 2.99Å; L48-G50 VanDerWaalsContact O-N 3.08Å; L48-I51 PolarHBondContact N-O 3.17Å; L48-I51 VanDerWaalsContact N-O 3.08Å; L48-I51 PolarHBondContact O-N 3.47Å; L48-R254 HydrophobicContact CD2-CB 3.92Å; L48-R254 HydrophobicContact CD2-CG 3.81Å; L48-R254 WeakPolarHBondContact CD2-O 3.35Å; L48-M273 HydrophobicContact CD1-CB 4.23Å; L48-M273 HydrophobicContact CD1-CG 4.48Å; L48-Q276 HydrophobicContact CD1-CG 4.36Å; L48-Q276 VanDerWaalsContact CD1-NE2 3.32Å; L48-N278 HydrophobicContact CD2-CB 3.99Å; L48-M279 HydrophobicContact CB-CB 4.27Å; L48-M279 HydrophobicContact CD2-CE 4.47Å
49Y92.9Very high97.2Very high104 Ų10447 Ų4741%0.40825%0.246SC..THydrogen-bonded Turntrans50.837.2172.1-155.9-124.7000113.9R251 W255 M273Y49-R251 VanDerWaalsContact CE1-NH1 3.29Å; Y49-R251 PolarHBondContact O-NH1 3.2Å; Y49-W255 VanDerWaalsContact CD2-O 3.29Å; Y49-W255 WeakPolarHBondContact CD2-O 3.43Å; Y49-M273 HydrophobicContact CD2-SD 4.37Å
50G93.1Very high97.2Very high63 Ų6345.5 Ų45.565%0.64924%0.235SC*.THydrogen-bonded Turntrans91.8-2.2176.200000115D47 L48D47-G50 PolarHBondContact OD1-N 2.91Å; L48-G50 PolarHBondContact O-N 2.99Å; L48-G50 VanDerWaalsContact O-N 3.08Å
51I95.5Very high97Very high32 Ų3244 Ų4416%0.16423%0.227CC..EExtended strand (participates in β ladder)trans-97.2117.3174.6-56.6176.9000108.3W9 D47 L48 A247 M279W9-I51 HydrophobicContact CH2-CG2 3.68Å; W9-I51 HydrophobicContact CZ2-CG2 3.93Å; D47-I51 WeakPolarHBondContact CA-O 3.47Å; D47-I51 PolarHBondContact OD1-N 3.34Å; L48-I51 PolarHBondContact N-O 3.17Å; L48-I51 VanDerWaalsContact N-O 3.08Å; L48-I51 PolarHBondContact O-N 3.47Å; I51-A247 HydrophobicContact CG2-CB 4.36Å; I51-M279 HydrophobicContact CB-CB 3.93Å; I51-M279 HydrophobicContact CB-CG 4.27Å; I51-M279 HydrophobicContact CD1-CE 4.28Å; I51-M279 HydrophobicContact CG2-CB 3.8Å; I51-M279 HydrophobicContact CG2-CG 3.78Å; I51-M279 WeakPolarHBondContact O-CB 3.35Å
52K95.9Very high96.6Very high142 Ų14243.9 Ų43.962%0.61723%0.225SC*.EExtended strand (participates in β ladder)trans-108.6138.7-178.3-57.8-174.7178.7-169.40111.9F46 D47F46-K52 CarbonylContact O-C 3.57Å; F46-K52 VanDerWaalsContact O-CA 3.28Å; F46-K52 WeakPolarHBondContact O-CA 3.35Å; D47-K52 HydrophobicContact CB-CG 3.97Å; D47-K52 WeakPolarHBondContact OD2-CE 3.44Å
53C97.3Very high96.4Very high2 Ų240.8 Ų40.81%0.01421%0.211CC..EExtended strand (participates in β ladder)trans-140.8119.4169.3-164.60000110.7F46 M279 F280F46-C53 PolarHBondContact N-O 2.97Å; F46-C53 PolarHBondContact O-N 3.25Å; C53-M279 WeakPolarHBondContact CB-O 3.13Å; C53-F280 HydrophobicContact CB-CD1 3.8Å; C53-F280 HydrophobicContact CB-CE1 4.04Å
54Q98.2Very high96.3Very high52 Ų5241.6 Ų41.624%0.24321%0.214CC..EExtended strand (participates in β ladder)trans-91.4116.6168.3-169.9-170.768.100109.9W12 K20 L43 K44 D45W12-Q54 PolarHBondContact NE1-O 2.89Å; K20-Q54 PolarHBondContact NZ-O 3.4Å; L43-Q54 HydrophobicContact CD1-CG 3.91Å; L43-Q54 HydrophobicContact CD2-CG 4.42Å; L43-Q54 HydrophobicContact CG-CG 3.95Å; K44-Q54 CarbonylContact O-C 3.51Å; K44-Q54 WeakPolarHBondContact O-CA 3.29Å; K44-Q54 WeakPolarHBondContact O-CG 3.22Å; D45-Q54 WeakPolarHBondContact OD1-CB 3.4Å; D45-Q54 VanDerWaalsContact OD1-CG 3.28Å; D45-Q54 WeakPolarHBondContact OD1-CG 3.4Å; D45-Q54 PolarHBondContact OD1-NE2 3.5Å; D45-Q54 PolarHBondContact OD2-NE2 3.47Å
55T98.1Very high96.3Very high0 Ų038.8 Ų38.80%020%0.201CC..EExtended strand (participates in β ladder)trans-152.4176.7-175.4-164.30000112.2K44 F46 V66 F67K44-T55 PolarHBondContact N-O 2.85Å; K44-T55 PolarHBondContact O-N 2.96Å; F46-T55 HydrophobicContact CD2-CG2 3.93Å; F46-T55 HydrophobicContact CE2-CG2 3.95Å; T55-V66 HydrophobicContact CG2-CG1 3.41Å; T55-V66 VanDerWaalsContact CG2-CG1 3.41Å; T55-F67 WeakPolarHBondContact CB-O 3.42Å; T55-F67 VanDerWaalsContact CG2-O 3.23Å; T55-F67 WeakPolarHBondContact CG2-O 3.47Å; T55-F67 PolarHBondContact OG1-O 3.11Å
56F98.7Very high96.3Very high1 Ų133.1 Ų33.10%0.00417%0.171CC..EExtended strand (participates in β ladder)trans-89.7128.4-176.9-66.7-80.1000112.5W12 K20 R21 L24 I41 E42 L43 V66 F67W12-F56 HydrophobicContact CH2-CD2 4.11Å; W12-F56 HydrophobicContact CH2-CE2 4.01Å; W12-F56 HydrophobicContact CZ2-CD2 4.19Å; W12-F56 HydrophobicContact CZ2-CE2 4.29Å; K20-F56 VanDerWaalsContact C-CE2 3.49Å; K20-F56 HydrophobicContact CB-CE2 3.66Å; K20-F56 HydrophobicContact CB-CZ 3.93Å; K20-F56 WeakPolarHBondContact O-CE2 3.19Å; R21-F56 HydrophobicContact CB-CZ 4.2Å; R21-F56 HydrophobicContact CG-CE1 3.82Å; R21-F56 HydrophobicContact CG-CZ 3.56Å; L24-F56 HydrophobicContact CB-CD2 3.9Å; L24-F56 HydrophobicContact CB-CE2 3.74Å; L24-F56 HydrophobicContact CB-CZ 4.34Å; L24-F56 HydrophobicContact CD1-CB 3.99Å; L24-F56 HydrophobicContact CD1-CD2 3.76Å; L24-F56 HydrophobicContact CD1-CE2 4.47Å; L24-F56 HydrophobicContact CD1-CG 4.02Å; L24-F56 HydrophobicContact CD2-CB 4Å; L24-F56 HydrophobicContact CD2-CD1 3.66Å; L24-F56 HydrophobicContact CD2-CD2 3.69Å; L24-F56 HydrophobicContact CD2-CE1 3.98Å; L24-F56 HydrophobicContact CD2-CE2 3.97Å; L24-F56 HydrophobicContact CD2-CG 3.51Å; L24-F56 HydrophobicContact CD2-CZ 4.13Å; L24-F56 HydrophobicContact CG-CD2 3.98Å; L24-F56 HydrophobicContact CG-CE2 4.27Å; L24-F56 HydrophobicContact CG-CG 4.23Å; I41-F56 HydrophobicContact CG2-CD1 3.96Å; E42-F56 CarbonylContact O-C 3.57Å; E42-F56 VanDerWaalsContact O-CA 3.26Å; E42-F56 WeakPolarHBondContact O-CA 3.3Å; L43-F56 HydrophobicContact CB-CD1 3.99Å; L43-F56 HydrophobicContact CB-CE1 3.73Å; L43-F56 HydrophobicContact CB-CZ 4.45Å; L43-F56 HydrophobicContact CD1-CD1 4.12Å; L43-F56 HydrophobicContact CD1-CD2 4.32Å; L43-F56 HydrophobicContact CD1-CE1 3.93Å; L43-F56 HydrophobicContact CD1-CE2 4.16Å; L43-F56 HydrophobicContact CD1-CG 4.31Å; L43-F56 HydrophobicContact CD1-CZ 3.93Å; L43-F56 HydrophobicContact CG-CE1 4.34Å; F56-V66 CarbonylContact O-C 3.57Å; F56-V66 VanDerWaalsContact O-CA 3.29Å; F56-V66 WeakPolarHBondContact O-CA 3.41Å; F56-V66 WeakPolarHBondContact O-CG1 3.42Å; F56-F67 HydrophobicContact CB-CB 4.46Å; F56-F67 PolarHBondContact O-N 3.17Å
57Q98.7Very high96.4Very high6 Ų632.9 Ų32.93%0.02817%0.17CC..EExtended strand (participates in β ladder)trans-93.8145.9157.8178.4175.6-41.800108.8I41 E42 K44 E64 F65 V66I41-Q57 WeakPolarHBondContact CA-O 3.23Å; E42-Q57 PolarHBondContact N-O 3.34Å; E42-Q57 PolarHBondContact O-N 2.96Å; K44-Q57 HydrophobicContact CD-CB 4.14Å; K44-Q57 VanDerWaalsContact NZ-CD 3.34Å; Q57-E64 PolarHBondContact NE2-OE1 3.39Å; Q57-F65 WeakPolarHBondContact CA-O 3.4Å; Q57-V66 HydrophobicContact CB-CG2 4.18Å; Q57-V66 HydrophobicContact CG-CG2 4.39Å
58L98.6Very high96.4Very high1 Ų129.5 Ų29.51%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-158.3161.7178.366.6169.2000111.4L28 I38 D40 I41 I60 F65 F135L28-L58 HydrophobicContact CD1-CD1 4.42Å; L28-L58 HydrophobicContact CD2-CD1 3.59Å; I38-L58 HydrophobicContact CG2-CD1 4.01Å; D40-L58 WeakPolarHBondContact O-CA 3.46Å; I41-L58 HydrophobicContact CG1-CB 3.99Å; L58-I60 HydrophobicContact CD1-CD1 4.44Å; L58-I60 HydrophobicContact CD1-CG1 4.23Å; L58-I60 HydrophobicContact CG-CG1 4.36Å; L58-F65 HydrophobicContact CD2-CB 4.05Å; L58-F65 HydrophobicContact CG-CB 4.41Å; L58-F65 PolarHBondContact N-O 3.08Å; L58-F65 PolarHBondContact O-N 2.94Å; L58-F135 HydrophobicContact CD1-CE1 4.2Å; L58-F135 HydrophobicContact CD2-CD1 3.92Å; L58-F135 HydrophobicContact CD2-CE1 4.01Å
59L97.3Very high96.5Very high27 Ų2729.4 Ų29.414%0.14115%0.151CC..EExtended strand (participates in β ladder)trans-97.4135.4168.4-66.3172.8000110.6I38 S39 D40 E63 E64I38-L59 WeakPolarHBondContact CA-O 3.47Å; S39-L59 PolarHBondContact N-O 2.95Å; S39-L59 PolarHBondContact O-N 3.02Å; D40-L59 HydrophobicContact CB-CD1 3.77Å; D40-L59 HydrophobicContact CB-CG 3.95Å; L59-E63 CarbonylContact C-O 3.58Å; L59-E63 WeakPolarHBondContact CA-O 3.36Å; L59-E64 HydrophobicContact CD2-CB 4.29Å; L59-E64 HydrophobicContact CD2-CG 3.55Å
60I95.8Very high96.7Very high1 Ų124.5 Ų24.51%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-124.9113.6169.2-55178.8000106.9V32 M36 K37 L58 E62 E63 F65 F233 I346V32-I60 HydrophobicContact CG1-CD1 4.44Å; V32-I60 HydrophobicContact CG1-CG2 4.34Å; V32-I60 HydrophobicContact CG2-CD1 4.5Å; M36-I60 HydrophobicContact CB-CG2 3.94Å; M36-I60 HydrophobicContact CG-CG2 4.21Å; M36-I60 HydrophobicContact SD-CG2 3.53Å; M36-I60 VanDerWaalsContact SD-CG2 3.53Å; K37-I60 WeakPolarHBondContact O-CA 3.47Å; L58-I60 HydrophobicContact CD1-CD1 4.44Å; L58-I60 HydrophobicContact CD1-CG1 4.23Å; L58-I60 HydrophobicContact CG-CG1 4.36Å; I60-E62 VanDerWaalsContact C-N 3.3Å; I60-E62 PolarHBondContact O-N 3.37Å; I60-E63 PolarHBondContact N-O 3.09Å; I60-E63 WeakPolarHBondContact O-CB 3.3Å; I60-E63 PolarHBondContact O-N 2.9Å; I60-E63 VanDerWaalsContact O-N 3.09Å; I60-F65 HydrophobicContact CB-CD2 3.78Å; I60-F65 HydrophobicContact CB-CE2 3.91Å; I60-F65 HydrophobicContact CD1-CB 4.18Å; I60-F65 HydrophobicContact CD1-CD1 4.31Å; I60-F65 HydrophobicContact CD1-CD2 3.86Å; I60-F65 HydrophobicContact CD1-CE2 4.35Å; I60-F65 HydrophobicContact CD1-CG 3.86Å; I60-F65 HydrophobicContact CG1-CB 4.48Å; I60-F65 HydrophobicContact CG1-CD2 3.86Å; I60-F65 HydrophobicContact CG1-CE2 4.42Å; I60-F65 HydrophobicContact CG1-CG 4.27Å; I60-F233 HydrophobicContact CG2-CZ 4.2Å; I60-I346 HydrophobicContact CD1-CD1 4.17Å
61D91.8Very high96.8Very high47 Ų4723 Ų2325%0.25111%0.11SC..THydrogen-bonded Turntrans50.148.1-172-69.2-7.7000112.1M36 K37 E63 K231M36-D61 VanDerWaalsContact CA-OD1 3.26Å; M36-D61 WeakPolarHBondContact CA-OD1 3.5Å; M36-D61 WeakPolarHBondContact CB-OD1 3.43Å; K37-D61 PolarHBondContact N-OD1 2.84Å; K37-D61 PolarHBondContact O-N 3.08Å; D61-E63 PolarHBondContact O-N 3.21Å; D61-K231 IonicContact OD2-NZ 2.7Å; D61-K231 PolarHBondContact OD2-NZ 3.42Å
62E89.9Confident96.8Very high67 Ų6725.4 Ų25.431%0.31312%0.119SC..THydrogen-bonded Turntrans63.33.8-177.9-51.4-60138.100115.7K37 I60K37-E62 IonicContact NZ-OE1 3.56Å; K37-E62 PolarHBondContact NZ-OE1 3.24Å; I60-E62 VanDerWaalsContact C-N 3.3Å; I60-E62 PolarHBondContact O-N 3.37Å
63E94.5Very high96.7Very high16 Ų1623.1 Ų23.18%0.07511%0.114CC..EExtended strand (participates in β ladder)trans-95.3137.2172.8-59.7-176.689.300110.4L59 I60 D61 F65 Q137 L141 K344L59-E63 CarbonylContact C-O 3.58Å; L59-E63 WeakPolarHBondContact CA-O 3.36Å; I60-E63 PolarHBondContact N-O 3.09Å; I60-E63 WeakPolarHBondContact O-CB 3.3Å; I60-E63 PolarHBondContact O-N 2.9Å; I60-E63 VanDerWaalsContact O-N 3.09Å; D61-E63 PolarHBondContact O-N 3.21Å; E63-F65 HydrophobicContact CB-CD2 4.46Å; E63-F65 HydrophobicContact CB-CE2 3.86Å; E63-F65 WeakPolarHBondContact O-CD2 3.38Å; E63-Q137 PolarHBondContact OE1-NE2 3.46Å; E63-L141 WeakPolarHBondContact OE1-CD1 3.42Å; E63-K344 IonicContact OE1-NZ 2.85Å; E63-K344 PolarHBondContact OE1-NZ 2.92Å; E63-K344 IonicContact OE2-NZ 3.03Å; E63-K344 PolarHBondContact OE2-NZ 2.96Å
64E97.4Very high96.7Very high56 Ų5623 Ų2326%0.26211%0.113SC..EExtended strand (participates in β ladder)trans-79.7130.3-179.1-64.3-172.8102.800113.1Q57 L59 Q137 R138 H139Q57-E64 PolarHBondContact NE2-OE1 3.39Å; L59-E64 HydrophobicContact CD2-CB 4.29Å; L59-E64 HydrophobicContact CD2-CG 3.55Å; E64-Q137 WeakPolarHBondContact O-CA 3.43Å; E64-R138 HydrophobicContact CB-CB 4.04Å; E64-R138 HydrophobicContact CB-CG 3.94Å; E64-R138 VanDerWaalsContact CD-NH1 3.33Å; E64-R138 PolarHBondContact O-N 3.22Å; E64-R138 IonicContact OE1-CZ 3.27Å; E64-R138 IonicContact OE1-NH1 2.67Å; E64-R138 PolarHBondContact OE1-NH1 2.86Å; E64-R138 IonicContact OE2-NH1 3.21Å; E64-R138 PolarHBondContact OE2-NH1 2.96Å; E64-H139 IonicContact OE2-CD2 2.95Å; E64-H139 IonicContact OE2-NE2 3.4Å
65F98.7Very high96.7Very high0 Ų024.4 Ų24.40%012%0.121CC..EExtended strand (participates in β ladder)trans-124.9158.1174.3-74.4-100.6000111Q57 L58 I60 E63 F135 V136 Q137 F233 K344Q57-F65 WeakPolarHBondContact CA-O 3.4Å; L58-F65 HydrophobicContact CD2-CB 4.05Å; L58-F65 HydrophobicContact CG-CB 4.41Å; L58-F65 PolarHBondContact N-O 3.08Å; L58-F65 PolarHBondContact O-N 2.94Å; I60-F65 HydrophobicContact CB-CD2 3.78Å; I60-F65 HydrophobicContact CB-CE2 3.91Å; I60-F65 HydrophobicContact CD1-CB 4.18Å; I60-F65 HydrophobicContact CD1-CD1 4.31Å; I60-F65 HydrophobicContact CD1-CD2 3.86Å; I60-F65 HydrophobicContact CD1-CE2 4.35Å; I60-F65 HydrophobicContact CD1-CG 3.86Å; I60-F65 HydrophobicContact CG1-CB 4.48Å; I60-F65 HydrophobicContact CG1-CD2 3.86Å; I60-F65 HydrophobicContact CG1-CE2 4.42Å; I60-F65 HydrophobicContact CG1-CG 4.27Å; E63-F65 HydrophobicContact CB-CD2 4.46Å; E63-F65 HydrophobicContact CB-CE2 3.86Å; E63-F65 WeakPolarHBondContact O-CD2 3.38Å; F65-F135 HydrophobicContact CD1-CB 4.36Å; F65-V136 CarbonylContact C-O 3.49Å; F65-V136 WeakPolarHBondContact CA-O 3.26Å; F65-V136 VanDerWaalsContact CD1-C 3.41Å; F65-Q137 HydrophobicContact CD1-CB 4.12Å; F65-Q137 VanDerWaalsContact CD1-N 3.31Å; F65-Q137 HydrophobicContact CE1-CB 3.71Å; F65-Q137 HydrophobicContact CE1-CG 4.33Å; F65-Q137 HydrophobicContact CE2-CG 4.31Å; F65-Q137 HydrophobicContact CZ-CB 3.94Å; F65-Q137 HydrophobicContact CZ-CG 4.08Å; F65-F233 HydrophobicContact CE1-CD1 4.3Å; F65-F233 AromaticContact CE1-CE1 3.76Å; F65-F233 HydrophobicContact CE1-CE1 3.76Å; F65-F233 HydrophobicContact CE2-CE1 4.34Å; F65-F233 HydrophobicContact CE2-CZ 4.36Å; F65-F233 HydrophobicContact CZ-CD1 4.29Å; F65-F233 AromaticContact CZ-CE1 3.5Å; F65-F233 HydrophobicContact CZ-CE1 3.5Å; F65-F233 AromaticContact CZ-CZ 3.82Å; F65-F233 HydrophobicContact CZ-CZ 3.82Å; F65-K344 HydrophobicContact CE1-CB 4.1Å; F65-K344 HydrophobicContact CZ-CB 4.01Å; F65-K344 HydrophobicContact CZ-CD 4.45Å
66V98.8Very high96.7Very high0 Ų024.4 Ų24.40%012%0.121CC..EExtended strand (participates in β ladder)trans-127.2140166.7173.90000109.6F46 T55 F56 Q57 I68 F135 V136 R138 F280 L282F46-V66 HydrophobicContact CE2-CG1 4.28Å; F46-V66 HydrophobicContact CE2-CG2 4.34Å; F46-V66 HydrophobicContact CZ-CG2 4.35Å; T55-V66 HydrophobicContact CG2-CG1 3.41Å; T55-V66 VanDerWaalsContact CG2-CG1 3.41Å; F56-V66 CarbonylContact O-C 3.57Å; F56-V66 VanDerWaalsContact O-CA 3.29Å; F56-V66 WeakPolarHBondContact O-CA 3.41Å; F56-V66 WeakPolarHBondContact O-CG1 3.42Å; Q57-V66 HydrophobicContact CB-CG2 4.18Å; Q57-V66 HydrophobicContact CG-CG2 4.39Å; V66-I68 HydrophobicContact CG1-CG1 4.4Å; V66-F135 CarbonylContact O-C 3.49Å; V66-F135 WeakPolarHBondContact O-CA 3.47Å; V66-V136 PolarHBondContact N-O 2.87Å; V66-V136 PolarHBondContact O-N 3.45Å; V66-R138 HydrophobicContact CG2-CG 3.62Å; V66-F280 WeakPolarHBondContact CG1-O 3.47Å; V66-L282 HydrophobicContact CB-CD2 4.34Å
67F98.7Very high96.7Very high0 Ų024.6 Ų24.60%012%0.124CC..EExtended strand (participates in β ladder)trans-74.8126.3166.1178.6-107.3000110.4L7 W12 L24 L27 T55 F56 P69 P133 F135L7-F67 HydrophobicContact CB-CZ 4.43Å; L7-F67 HydrophobicContact CD2-CE1 4.31Å; L7-F67 HydrophobicContact CD2-CZ 3.84Å; W12-F67 HydrophobicContact CD2-CE1 4.18Å; W12-F67 AromaticContact CE3-CE1 3.92Å; W12-F67 HydrophobicContact CE3-CE1 3.92Å; W12-F67 AromaticContact CH2-CD1 3.65Å; W12-F67 HydrophobicContact CH2-CD1 3.65Å; W12-F67 AromaticContact CH2-CE1 3.58Å; W12-F67 HydrophobicContact CH2-CE1 3.58Å; W12-F67 AromaticContact CZ2-CD1 3.69Å; W12-F67 HydrophobicContact CZ2-CD1 3.69Å; W12-F67 AromaticContact CZ2-CE1 3.86Å; W12-F67 HydrophobicContact CZ2-CE1 3.86Å; W12-F67 HydrophobicContact CZ3-CD1 4.19Å; W12-F67 AromaticContact CZ3-CE1 3.62Å; W12-F67 HydrophobicContact CZ3-CE1 3.62Å; L24-F67 HydrophobicContact CD1-CB 4.37Å; L27-F67 HydrophobicContact CD1-CD2 4.02Å; L27-F67 HydrophobicContact CD1-CE2 3.43Å; L27-F67 VanDerWaalsContact CD1-CE2 3.43Å; L27-F67 HydrophobicContact CD1-CZ 3.76Å; T55-F67 WeakPolarHBondContact CB-O 3.42Å; T55-F67 VanDerWaalsContact CG2-O 3.23Å; T55-F67 WeakPolarHBondContact CG2-O 3.47Å; T55-F67 PolarHBondContact OG1-O 3.11Å; F56-F67 HydrophobicContact CB-CB 4.46Å; F56-F67 PolarHBondContact O-N 3.17Å; F67-P69 HydrophobicContact CE1-CB 4.48Å; F67-P133 HydrophobicContact CE2-CB 4Å; F67-P133 HydrophobicContact CZ-CB 3.89Å; F67-F135 HydrophobicContact CB-CD1 3.9Å; F67-F135 HydrophobicContact CB-CE1 3.74Å; F67-F135 HydrophobicContact CD2-CD1 4.17Å; F67-F135 AromaticContact CD2-CE1 3.95Å; F67-F135 HydrophobicContact CD2-CE1 3.95Å; F67-F135 HydrophobicContact CD2-CE2 4.38Å; F67-F135 HydrophobicContact CD2-CG 4.5Å; F67-F135 HydrophobicContact CD2-CZ 4.05Å; F67-F135 HydrophobicContact CG-CE1 4.25Å
68I98.5Very high96.6Very high0 Ų024.8 Ų24.80%012%0.124CC..EExtended strand (participates in β ladder)trans-114.4121.5176.1-58.7-173.8000108.5V66 P133 M134 V136 Y243 V244 F280 L282V66-I68 HydrophobicContact CG1-CG1 4.4Å; I68-P133 WeakPolarHBondContact O-CA 3.12Å; I68-M134 HydrophobicContact CB-CG 4.24Å; I68-M134 PolarHBondContact N-O 2.99Å; I68-M134 PolarHBondContact O-N 2.9Å; I68-V136 HydrophobicContact CD1-CB 4.03Å; I68-V136 HydrophobicContact CD1-CG2 3.84Å; I68-V136 HydrophobicContact CG1-CG2 4.27Å; I68-Y243 HydrophobicContact CG2-CE1 3.88Å; I68-V244 HydrophobicContact CD1-CB 3.87Å; I68-V244 HydrophobicContact CD1-CG1 3.67Å; I68-V244 HydrophobicContact CG2-CG1 4.38Å; I68-F280 HydrophobicContact CD1-CB 3.76Å; I68-F280 HydrophobicContact CD1-CD2 4.1Å; I68-F280 HydrophobicContact CD1-CG 4.02Å; I68-F280 HydrophobicContact CG1-CB 4.05Å; I68-F280 HydrophobicContact CG1-CG 4.22Å; I68-F280 HydrophobicContact CG2-CD1 4.04Å; I68-F280 HydrophobicContact CG2-CD2 4.04Å; I68-F280 HydrophobicContact CG2-CE1 4.03Å; I68-F280 HydrophobicContact CG2-CE2 4.01Å; I68-F280 HydrophobicContact CG2-CG 4.05Å; I68-F280 HydrophobicContact CG2-CZ 4.01Å; I68-L282 HydrophobicContact CD1-CD1 3.64Å; I68-L282 HydrophobicContact CD1-CD2 4.34Å; I68-L282 HydrophobicContact CD1-CG 4.04Å
69P97.8Very high96.4Very high0 Ų028.7 Ų28.70%015%0.145CC..  trans-64.3149.9176.128.5-34.3000110.6L7 W9 W12 F67 Y243L7-P69 CarbonylContact O-C 3.6Å; L7-P69 VanDerWaalsContact O-CA 3.32Å; L7-P69 WeakPolarHBondContact O-CA 3.34Å; L7-P69 WeakPolarHBondContact O-CB 3.35Å; W9-P69 HydrophobicContact CB-CB 4.18Å; W9-P69 HydrophobicContact CB-CG 4.07Å; W9-P69 HydrophobicContact CG-CG 3.88Å; W12-P69 HydrophobicContact CB-CB 3.89Å; W12-P69 HydrophobicContact CB-CG 4.42Å; W12-P69 HydrophobicContact CD2-CB 4.4Å; W12-P69 HydrophobicContact CG-CB 3.86Å; W12-P69 HydrophobicContact CG-CG 4.14Å; F67-P69 HydrophobicContact CE1-CB 4.48Å; P69-Y243 WeakPolarHBondContact O-CE1 3.22Å; P69-Y243 PolarHBondContact O-OH 2.9Å
70G97Very high96.3Very high2 Ų230 Ų302%0.02115%0.152CC..BIsolated β-bridgetrans-72.8173.7176.400000111.9L7 D8 W9 I131L7-G70 PolarHBondContact O-N 3.17Å; D8-G70 CarbonylContact C-O 3.51Å; D8-G70 WeakPolarHBondContact CA-O 3.48Å; W9-G70 WeakPolarHBondContact CB-O 3.46Å; W9-G70 PolarHBondContact N-O 3.15Å; G70-I131 CarbonylContact C-O 3.49Å; G70-I131 WeakPolarHBondContact CA-O 3.37Å
71N96.6Very high96.3Very high30 Ų3030.1 Ų30.116%0.1615%0.154CC..EExtended strand (participates in β ladder)trans-146113170.2-176.2-11.3000109.7D8 D73 A74 I131 Y243D8-N71 WeakPolarHBondContact OD1-CA 3.37Å; N71-D73 PolarHBondContact O-N 3.11Å; N71-D73 PolarHBondContact OD1-N 3.03Å; N71-A74 HydrophobicContact CB-CB 4.06Å; N71-A74 PolarHBondContact OD1-N 3.02Å; N71-I131 PolarHBondContact N-O 2.71Å; N71-I131 PolarHBondContact O-N 2.89Å; N71-Y243 HydrophobicContact CB-CE2 3.74Å
72K94.1Very high96.4Very high84 Ų8429 Ų2937%0.36515%0.149SC..EExtended strand (participates in β ladder)trans-67.4-23.4-178.4-69.1-179.2-178-171.70114.2D5 D8D5-K72 IonicContact OD1-NZ 2.62Å; D5-K72 PolarHBondContact OD1-NZ 3.48Å; D8-K72 WeakPolarHBondContact OD1-CG 3.32Å; D8-K72 PolarHBondContact OD1-N 2.72Å
73D95.3Very high96.5Very high93 Ų9332.7 Ų32.750%0.49716%0.163SC..EExtended strand (participates in β ladder)trans-128.634.7-171-63.2-63.4000110.9N71 I75 K128N71-D73 PolarHBondContact O-N 3.11Å; N71-D73 PolarHBondContact OD1-N 3.03Å; D73-I75 PolarHBondContact O-N 3.42Å; D73-K128 VanDerWaalsContact CB-CE 3.42Å; D73-K128 WeakPolarHBondContact OD1-CE 3.21Å; D73-K128 IonicContact OD1-NZ 3.8Å; D73-K128 PolarHBondContact OD1-NZ 2.93Å
74A97.1Very high96.2Very high1 Ų134.6 Ų34.61%0.00819%0.188CC..EExtended strand (participates in β ladder)trans-62.3129.5-179.400000110.3N71 L76 K128 V129 I131 Y243N71-A74 HydrophobicContact CB-CB 4.06Å; N71-A74 PolarHBondContact OD1-N 3.02Å; A74-L76 HydrophobicContact CB-CD2 4.41Å; A74-L76 HydrophobicContact CB-CG 4.4Å; A74-K128 CarbonylContact O-C 3.48Å; A74-K128 VanDerWaalsContact O-CA 3.32Å; A74-K128 WeakPolarHBondContact O-CA 3.23Å; A74-V129 HydrophobicContact CB-CG1 4.37Å; A74-V129 WeakPolarHBondContact CB-O 3.39Å; A74-V129 PolarHBondContact N-O 2.57Å; A74-V129 PolarHBondContact O-N 2.91Å; A74-I131 HydrophobicContact CB-CG1 3.81Å; A74-Y243 HydrophobicContact CB-CD2 4.18Å; A74-Y243 HydrophobicContact CB-CE2 4.49Å
75I97.7Very high95.9Very high80 Ų8033.1 Ų33.141%0.4118%0.181SC..EExtended strand (participates in β ladder)trans-101.4112.5173.3-58.7176000106.9D73 L126 R127 G248D73-I75 PolarHBondContact O-N 3.42Å; I75-L126 HydrophobicContact CG2-CD1 3.69Å; I75-L126 HydrophobicContact CG2-CG 4.39Å; I75-R127 WeakPolarHBondContact CA-O 3.2Å; I75-G248 WeakPolarHBondContact O-CA 3.22Å
76L98.3Very high95.5Very high0 Ų035.6 Ų35.60%020%0.199CC..EExtended strand (participates in β ladder)trans-119.5168.8-178.4-54.6-176.2000110.6A74 L126 R127 V129 I131 D239 E242 Y243 Y322A74-L76 HydrophobicContact CB-CD2 4.41Å; A74-L76 HydrophobicContact CB-CG 4.4Å; L76-L126 CarbonylContact O-C 3.54Å; L76-L126 WeakPolarHBondContact O-CA 3.44Å; L76-R127 PolarHBondContact N-O 2.95Å; L76-R127 PolarHBondContact O-N 3.36Å; L76-V129 HydrophobicContact CD1-CG1 3.53Å; L76-V129 HydrophobicContact CG-CG1 3.91Å; L76-I131 HydrophobicContact CD1-CD1 4.2Å; L76-D239 HydrophobicContact CD1-CB 3.99Å; L76-D239 WeakPolarHBondContact CD1-O 3.31Å; L76-E242 HydrophobicContact CD1-CB 4.29Å; L76-Y243 HydrophobicContact CD2-CD2 4.46Å; L76-Y322 HydrophobicContact CB-CE1 4.26Å; L76-Y322 HydrophobicContact CD2-CE1 4.31Å
77G97.5Very high94.9Very high5 Ų541.9 Ų41.95%0.05223%0.232CC..SBendtrans79.8175.1-177.800000113.9T124 Y322G77-T124 CarbonylContact C-O 3.54Å; G77-T124 WeakPolarHBondContact CA-O 3.33Å; G77-T124 WeakPolarHBondContact CA-OG1 3.43Å; G77-Y322 VanDerWaalsContact N-CD1 3.27Å
78W97Very high94.4Very high11 Ų1147.1 Ų47.14%0.04226%0.259CS..  trans-134.5143.5-175.6-170.7-97.9000111.4L80 G81 T123 T124 L252 Y322W78-L80 HydrophobicContact CD2-CB 4.43Å; W78-L80 HydrophobicContact CH2-CB 4.23Å; W78-L80 HydrophobicContact CH2-CD1 4.21Å; W78-L80 HydrophobicContact CZ2-CB 3.69Å; W78-L80 HydrophobicContact CZ2-CD1 4.49Å; W78-L80 HydrophobicContact CZ3-CD1 4.46Å; W78-G81 PolarHBondContact NE1-O 3.33Å; W78-T123 HydrophobicContact CB-CG2 4.33Å; W78-T124 PolarHBondContact N-O 3.41Å; W78-L252 HydrophobicContact CB-CD2 4.22Å; W78-L252 HydrophobicContact CD2-CD2 3.53Å; W78-L252 HydrophobicContact CD2-CG 3.82Å; W78-L252 HydrophobicContact CE3-CD2 4.06Å; W78-L252 HydrophobicContact CE3-CG 4.07Å; W78-L252 HydrophobicContact CG-CD2 3.61Å; W78-L252 HydrophobicContact CG-CG 4.4Å; W78-L252 HydrophobicContact CH2-CG 4.02Å; W78-L252 HydrophobicContact CZ2-CD1 3.94Å; W78-L252 HydrophobicContact CZ2-CD2 4.32Å; W78-L252 HydrophobicContact CZ2-CG 3.74Å; W78-L252 HydrophobicContact CZ3-CG 4.17Å; W78-Y322 HydrophobicContact CB-CD2 4.18Å; W78-Y322 HydrophobicContact CE3-CD2 4.45Å
79N95.3Very high94Very high82 Ų8247.8 Ų47.844%0.43926%0.262SS..  trans-151.718.4176.773.7-23.1000112.5N120 L126N79-N120 VanDerWaalsContact C-OD1 3.24Å; N79-N120 VanDerWaalsContact CA-OD1 3.3Å; N79-N120 WeakPolarHBondContact CA-OD1 3.44Å; N79-L126 HydrophobicContact CB-CB 4.06Å
80L95.3Very high93.7Very high54 Ų5448.3 Ų48.328%0.28327%0.265SS..  trans-104.67-173.8-63.8-178.1000112.7W78 T82 K83 N120W78-L80 HydrophobicContact CD2-CB 4.43Å; W78-L80 HydrophobicContact CH2-CB 4.23Å; W78-L80 HydrophobicContact CH2-CD1 4.21Å; W78-L80 HydrophobicContact CZ2-CB 3.69Å; W78-L80 HydrophobicContact CZ2-CD1 4.49Å; W78-L80 HydrophobicContact CZ3-CD1 4.46Å; L80-T82 PolarHBondContact O-N 2.85Å; L80-K83 HydrophobicContact CB-CB 4.03Å; L80-K83 HydrophobicContact CD1-CD 4.44Å; L80-K83 HydrophobicContact CD2-CD 4.33Å; L80-K83 WeakPolarHBondContact O-CB 3.33Å; L80-K83 PolarHBondContact O-N 2.88Å; L80-N120 PolarHBondContact N-OD1 2.99Å
81G94.8Very high93.2Very high5 Ų550 Ų505%0.05228%0.28CS..THydrogen-bonded Turntrans51.4-125-178.300000111.9W78 K83 G116 N120W78-G81 PolarHBondContact NE1-O 3.33Å; G81-K83 VanDerWaalsContact C-N 3.32Å; G81-K83 PolarHBondContact O-N 2.86Å; G81-G116 WeakPolarHBondContact CA-O 3.33Å; G81-N120 WeakPolarHBondContact CA-OD1 3.02Å; G81-N120 PolarHBondContact N-OD1 2.84Å
82T94.3Very high92.8Very high23 Ų2351.1 Ų51.114%0.14129%0.288CS..THydrogen-bonded Turntrans-83.10.3179.852.50000114.3L80 G84 L85 T90 V112 L115 I119L80-T82 PolarHBondContact O-N 2.85Å; T82-G84 PolarHBondContact O-N 3Å; T82-L85 VanDerWaalsContact O-CB 3.3Å; T82-L85 WeakPolarHBondContact O-CB 3.49Å; T82-L85 PolarHBondContact O-N 3.31Å; T82-T90 HydrophobicContact CG2-CG2 4.05Å; T82-V112 HydrophobicContact CG2-CG1 4.14Å; T82-V112 WeakPolarHBondContact CG2-O 3.45Å; T82-V112 WeakPolarHBondContact OG1-CG1 3.35Å; T82-L115 HydrophobicContact CG2-CB 3.96Å; T82-I119 HydrophobicContact CG2-CD1 3.74Å
83K93Very high92.3Very high144 Ų14451.1 Ų51.163%0.62629%0.292SS*.THydrogen-bonded Turntrans-60.5124-175.1-173.7176.5-178.1171.20111.7L80 G81L80-K83 HydrophobicContact CB-CB 4.03Å; L80-K83 HydrophobicContact CD1-CD 4.44Å; L80-K83 HydrophobicContact CD2-CD 4.33Å; L80-K83 WeakPolarHBondContact O-CB 3.33Å; L80-K83 PolarHBondContact O-N 2.88Å; G81-K83 VanDerWaalsContact C-N 3.32Å; G81-K83 PolarHBondContact O-N 2.86Å
84G88Confident91.7Very high57 Ų5749.2 Ų49.259%0.58829%0.286SS*.THydrogen-bonded Turntrans91.5-4.3-178.800000114T82 N257T82-G84 PolarHBondContact O-N 3Å; G84-N257 PolarHBondContact O-ND2 2.86Å
85L90.9Very high90.7Very high24 Ų2455.8 Ų55.813%0.12633%0.329CS..  trans-86.3147.3165.8-54.6179.7000109.4T82 E89 T90 I119 L252 N257 I313T82-L85 VanDerWaalsContact O-CB 3.3Å; T82-L85 WeakPolarHBondContact O-CB 3.49Å; T82-L85 PolarHBondContact O-N 3.31Å; L85-E89 HydrophobicContact CB-CB 4.39Å; L85-T90 HydrophobicContact CB-CG2 3.83Å; L85-T90 HydrophobicContact CD1-CG2 4.05Å; L85-I119 HydrophobicContact CD1-CD1 4.03Å; L85-L252 HydrophobicContact CD1-CD1 4.2Å; L85-L252 HydrophobicContact CD2-CD1 4.33Å; L85-N257 HydrophobicContact CD2-CB 3.79Å; L85-I313 HydrophobicContact CD1-CB 4.16Å; L85-I313 HydrophobicContact CD1-CD1 3.56Å; L85-I313 HydrophobicContact CD1-CG1 3.55Å; L85-I313 HydrophobicContact CD2-CD1 4.43Å
86S90Very high89.8Confident52 Ų5259.3 Ų59.336%0.36434%0.344SS..  trans-95.5173.5173.185.10000110.8L88 E89 T90S86-L88 PolarHBondContact O-N 2.87Å; S86-L88 WeakPolarHBondContact OG-CB 3.4Å; S86-L88 PolarHBondContact OG-N 3.05Å; S86-L88 VanDerWaalsContact OG-N 3.14Å; S86-E89 WeakPolarHBondContact CA-OE2 3.21Å; S86-E89 VanDerWaalsContact CB-OE2 3.24Å; S86-E89 WeakPolarHBondContact CB-OE2 3.49Å; S86-E89 PolarHBondContact N-OE2 2.96Å; S86-E89 PolarHBondContact O-N 2.92Å; S86-E89 VanDerWaalsContact O-N 3.08Å; S86-E89 PolarHBondContact OG-OE2 3.19Å; S86-T90 PolarHBondContact O-N 3.16Å; S86-T90 PolarHBondContact O-OG1 3.21Å
87L86.8Confident89Confident132 Ų13261.8 Ų61.869%0.69136%0.356SS*.Hα-helixtrans-59.1-25.5172.8-67.7176.6000112.7E89 T90 A91L87-E89 PolarHBondContact O-N 2.94Å; L87-T90 PolarHBondContact O-N 3.36Å; L87-A91 WeakPolarHBondContact O-CB 3.44Å; L87-A91 PolarHBondContact O-N 3.38Å
88L87.7Confident88.3Confident111 Ų11167.8 Ų67.858%0.58139%0.385SS*.Hα-helixtrans-66.3-25.6177.8-63.2174.7000112.5S86S86-L88 PolarHBondContact O-N 2.87Å; S86-L88 WeakPolarHBondContact OG-CB 3.4Å; S86-L88 PolarHBondContact OG-N 3.05Å; S86-L88 VanDerWaalsContact OG-N 3.14Å
89E90Very high87.6Confident13 Ų1369.8 Ų69.86%0.06140%0.395CS..Hα-helixtrans-96.8-27.7179.1-68.978.7-141.200113.1L85 S86 L87 N257 L259 I313L85-E89 HydrophobicContact CB-CB 4.39Å; S86-E89 WeakPolarHBondContact CA-OE2 3.21Å; S86-E89 VanDerWaalsContact CB-OE2 3.24Å; S86-E89 WeakPolarHBondContact CB-OE2 3.49Å; S86-E89 PolarHBondContact N-OE2 2.96Å; S86-E89 PolarHBondContact O-N 2.92Å; S86-E89 VanDerWaalsContact O-N 3.08Å; S86-E89 PolarHBondContact OG-OE2 3.19Å; L87-E89 PolarHBondContact O-N 2.94Å; E89-N257 VanDerWaalsContact CG-O 3.27Å; E89-N257 WeakPolarHBondContact CG-O 3.26Å; E89-L259 HydrophobicContact CB-CD1 4.37Å; E89-L259 HydrophobicContact CG-CB 4Å; E89-L259 HydrophobicContact CG-CD1 4.24Å; E89-L259 HydrophobicContact CG-CG 4.15Å; E89-I313 WeakPolarHBondContact O-CB 3.45Å; E89-I313 WeakPolarHBondContact O-CG2 3.3Å; E89-I313 PolarHBondContact O-N 3.41Å
90T90.3Very high87Confident11 Ų1166.6 Ų66.67%0.06738%0.379CS..Hα-helixtrans-99.9-21.1-174.859.80000113.8T82 L85 S86 L87 L115 I311 I313T82-T90 HydrophobicContact CG2-CG2 4.05Å; L85-T90 HydrophobicContact CB-CG2 3.83Å; L85-T90 HydrophobicContact CD1-CG2 4.05Å; S86-T90 PolarHBondContact O-N 3.16Å; S86-T90 PolarHBondContact O-OG1 3.21Å; L87-T90 PolarHBondContact O-N 3.36Å; T90-L115 WeakPolarHBondContact O-CD1 3.1Å; T90-I311 WeakPolarHBondContact O-CG2 3.48Å; T90-I313 HydrophobicContact CG2-CG2 4.4Å
91A88.3Confident86.4Confident39 Ų3971.2 Ų71.232%0.32240%0.399SS..SBendtrans-85.2152.2176.600000111.6L87 N93 P312L87-A91 WeakPolarHBondContact O-CB 3.44Å; L87-A91 PolarHBondContact O-N 3.38Å; A91-N93 PolarHBondContact O-N 3.42Å; A91-P312 WeakPolarHBondContact O-CD 3.24Å
92P87.7Confident85.8Confident52 Ų5275.2 Ų75.234%0.33842%0.417SS..  trans-58.7134.7170.6-22.732.5000112.5I97 F110 G310 I311P92-I97 HydrophobicContact CB-CD1 3.57Å; P92-I97 HydrophobicContact CB-CG1 4.17Å; P92-I97 HydrophobicContact CG-CD1 3.48Å; P92-I97 VanDerWaalsContact CG-CD1 3.48Å; P92-F110 HydrophobicContact CG-CD1 4.07Å; P92-F110 HydrophobicContact CG-CE1 3.82Å; P92-G310 CarbonylContact C-O 3.5Å; P92-G310 VanDerWaalsContact CA-O 3.25Å; P92-G310 WeakPolarHBondContact CA-O 3.34Å; P92-I311 HydrophobicContact CB-CG1 4.24Å; P92-I311 HydrophobicContact CG-CD1 4.29Å; P92-I311 HydrophobicContact CG-CG1 4.05Å
93N83.7Confident85.4Confident85 Ų8574.6 Ų74.646%0.45541%0.413SS..  trans-118.20.7176.172-12.5000113.5A91 G310 P312A91-N93 PolarHBondContact O-N 3.42Å; N93-G310 PolarHBondContact N-O 3.46Å; N93-G310 PolarHBondContact OD1-O 3.33Å; N93-P312 WeakPolarHBondContact ND2-CG 3.37Å
94S82Confident84.9Confident52 Ų5275 Ų7536%0.36441%0.41SS..SBendtrans-111.6147.3174.4-66.20000110.9E96S94-E96 VanDerWaalsContact C-N 3.28Å; S94-E96 PolarHBondContact O-N 2.93Å
95P77Confident84.8Confident140 Ų14076.4 Ų76.491%0.90942%0.424SS*.SBendtrans-66.2-30.2178.625.6-33.3000112.9
96E78.9Confident84.7Confident154 Ų15480.5 Ų80.572%0.7244%0.443SS*.SBendtrans-116.7132.3176.4-66.2-178.3-173.200109.5S94S94-E96 VanDerWaalsContact C-N 3.28Å; S94-E96 PolarHBondContact O-N 2.93Å
97I81.2Confident84.7Confident51 Ų5179.6 Ų79.626%0.26243%0.432SS..  trans-106.7117.4178.1-62.6174.3000108.4P92 I99 F110 V309P92-I97 HydrophobicContact CB-CD1 3.57Å; P92-I97 HydrophobicContact CB-CG1 4.17Å; P92-I97 HydrophobicContact CG-CD1 3.48Å; P92-I97 VanDerWaalsContact CG-CD1 3.48Å; I97-I99 HydrophobicContact CG2-CG1 4.09Å; I97-F110 HydrophobicContact CD1-CE1 3.5Å; I97-F110 HydrophobicContact CD1-CZ 3.51Å; I97-V309 VanDerWaalsContact CA-O 3.25Å; I97-V309 WeakPolarHBondContact CA-O 3.3Å; I97-V309 HydrophobicContact CG2-CG1 3.84Å; I97-V309 WeakPolarHBondContact CG2-O 3.48Å
98M82.7Confident84.8Confident132 Ų13277.4 Ų77.465%0.6542%0.421SS*.  trans-104.895.9178.8-66.2-173.668.800110.3P100 V309M98-P100 WeakPolarHBondContact O-CD 3.37Å; M98-V309 PolarHBondContact N-O 2.69Å; M98-V309 WeakPolarHBondContact O-CA 3.49Å
99I82.4Confident84.6Confident52 Ų5272.3 Ų72.327%0.26739%0.394SS..  trans-73.1123.7178.7-57.8172.7000109.5I97 L103 R104 F109I97-I99 HydrophobicContact CG2-CG1 4.09Å; I99-L103 HydrophobicContact CG2-CB 4.18Å; I99-R104 HydrophobicContact CB-CG 4.27Å; I99-R104 HydrophobicContact CG2-CG 3.82Å; I99-R104 PolarHBondContact O-NE 3.3Å; I99-R104 VanDerWaalsContact O-NE 3.12Å; I99-R104 PolarHBondContact O-NH2 2.72Å; I99-F109 HydrophobicContact CB-CE2 4.39Å; I99-F109 HydrophobicContact CD1-CD2 3.66Å; I99-F109 HydrophobicContact CD1-CE2 3.96Å; I99-F109 HydrophobicContact CG1-CD2 3.98Å; I99-F109 HydrophobicContact CG1-CE2 4.02Å; I99-F109 HydrophobicContact CG2-CD2 4.29Å; I99-F109 HydrophobicContact CG2-CE2 3.49Å; I99-F109 VanDerWaalsContact CG2-CE2 3.49Å; I99-F109 HydrophobicContact CG2-CZ 3.97Å
100P82.3Confident84.4Confident16 Ų1678.7 Ų78.710%0.10442%0.422CS..  trans-58.5143.5175-22.634.2000110.8M98 E102 L103 R104 V309M98-P100 WeakPolarHBondContact O-CD 3.37Å; P100-E102 VanDerWaalsContact CB-CD 3.5Å; P100-E102 HydrophobicContact CB-CG 4.04Å; P100-E102 PolarHBondContact O-N 3.23Å; P100-L103 HydrophobicContact CG-CD1 4.24Å; P100-L103 PolarHBondContact O-N 3.14Å; P100-R104 WeakPolarHBondContact O-CG 3.27Å; P100-R104 PolarHBondContact O-N 3.43Å; P100-V309 HydrophobicContact CG-CG2 3.81Å
101E83.4Confident84.4Confident150 Ų15081.2 Ų81.270%0.70144%0.435SS*.G310 helixtrans-55.7-39.8-175.9-172.3171.5-171.600112L103 R104E101-L103 PolarHBondContact O-N 2.74Å; E101-L103 VanDerWaalsContact O-N 3.15Å; E101-R104 PolarHBondContact O-N 3.24Å
102E81.6Confident84.4Confident89 Ų8982.3 Ų82.342%0.41644%0.437SS..G310 helixtrans-63.4-15.1177.559-94-14300115.1P100 Q106 K305P100-E102 VanDerWaalsContact CB-CD 3.5Å; P100-E102 HydrophobicContact CB-CG 4.04Å; P100-E102 PolarHBondContact O-N 3.23Å; E102-Q106 PolarHBondContact O-NE2 3.35Å; E102-K305 IonicContact OE1-NZ 3.63Å; E102-K305 PolarHBondContact OE1-NZ 3.46Å; E102-K305 IonicContact OE2-NZ 3.21Å; E102-K305 PolarHBondContact OE2-NZ 3.12Å
103L85.3Confident84.6Confident11 Ų1185.5 Ų85.56%0.05845%0.452CS..G310 helixtrans-112.8-5.9179.2-57.9-179.5000113.4I99 P100 E101 G105 Q106 Y107 F109 L118 V314I99-L103 HydrophobicContact CG2-CB 4.18Å; P100-L103 HydrophobicContact CG-CD1 4.24Å; P100-L103 PolarHBondContact O-N 3.14Å; E101-L103 PolarHBondContact O-N 2.74Å; E101-L103 VanDerWaalsContact O-N 3.15Å; L103-G105 PolarHBondContact O-N 2.81Å; L103-Q106 PolarHBondContact O-N 3.32Å; L103-Y107 HydrophobicContact CD2-CD2 4.4Å; L103-Y107 HydrophobicContact CD2-CE2 4.13Å; L103-F109 HydrophobicContact CB-CE2 4.33Å; L103-F109 HydrophobicContact CB-CZ 3.83Å; L103-F109 HydrophobicContact CD1-CE1 4.31Å; L103-F109 HydrophobicContact CD1-CZ 3.83Å; L103-F109 HydrophobicContact CG-CZ 4.46Å; L103-L118 HydrophobicContact CD1-CD1 4.36Å; L103-L118 HydrophobicContact CD2-CD1 3.91Å; L103-V314 HydrophobicContact CD1-CG1 4.43Å
104R83.3Confident85.1Confident152 Ų15282 Ų8257%0.57443%0.434SS*.THydrogen-bonded Turntrans-62.9128.4-176.3-74.1-180-171146.91.5111I99 P100 E101 Q106I99-R104 HydrophobicContact CB-CG 4.27Å; I99-R104 HydrophobicContact CG2-CG 3.82Å; I99-R104 PolarHBondContact O-NE 3.3Å; I99-R104 VanDerWaalsContact O-NE 3.12Å; I99-R104 PolarHBondContact O-NH2 2.72Å; P100-R104 WeakPolarHBondContact O-CG 3.27Å; P100-R104 PolarHBondContact O-N 3.43Å; E101-R104 PolarHBondContact O-N 3.24Å; R104-Q106 PolarHBondContact O-N 2.85Å
105G86.1Confident85.7Confident86 Ų8679.7 Ų79.789%0.88742%0.417SS*.THydrogen-bonded Turntrans74-0.1177.200000115.4L103L103-G105 PolarHBondContact O-N 2.81Å
106Q88.3Confident86.6Confident111 Ų11173.3 Ų73.352%0.51938%0.377SS..THydrogen-bonded Turntrans-89.3-36.2177.5-68.5174.431.700112.4E102 L103 R104E102-Q106 PolarHBondContact O-NE2 3.35Å; L103-Q106 PolarHBondContact O-N 3.32Å; R104-Q106 PolarHBondContact O-N 2.85Å
107Y89.2Confident87.4Confident32 Ų3271.3 Ų71.313%0.12537%0.368CS..  trans-133.3150.1-175-52.9-81000111.5L103 S114 E117 L118 D121L103-Y107 HydrophobicContact CD2-CD2 4.4Å; L103-Y107 HydrophobicContact CD2-CE2 4.13Å; Y107-S114 WeakPolarHBondContact CA-OG 3.2Å; Y107-E117 HydrophobicContact CD1-CB 4.44Å; Y107-E117 HydrophobicContact CE1-CB 4.27Å; Y107-L118 HydrophobicContact CD1-CB 3.75Å; Y107-L118 HydrophobicContact CD2-CB 4.19Å; Y107-L118 HydrophobicContact CD2-CD1 3.77Å; Y107-L118 HydrophobicContact CD2-CG 4.42Å; Y107-L118 HydrophobicContact CE1-CB 3.87Å; Y107-L118 HydrophobicContact CE1-CD1 4.5Å; Y107-L118 HydrophobicContact CE2-CB 4.3Å; Y107-L118 HydrophobicContact CE2-CD1 3.51Å; Y107-L118 HydrophobicContact CE2-CG 4.47Å; Y107-L118 HydrophobicContact CG-CB 3.91Å; Y107-L118 HydrophobicContact CG-CD1 4.37Å; Y107-D121 WeakPolarHBondContact OH-CB 3.41Å; Y107-D121 PolarHBondContact OH-OD2 3.48Å
108N88.7Confident88Confident86 Ų8669.1 Ų69.146%0.4636%0.356SS..  trans-94.899.6168.4-178.44.5000109.6F110 D111 S114N108-F110 PolarHBondContact O-N 3.18Å; N108-F110 PolarHBondContact OD1-N 3.33Å; N108-D111 HydrophobicContact CB-CB 4Å; N108-D111 PolarHBondContact O-N 3.46Å; N108-S114 PolarHBondContact N-OG 2.95Å
109F85.2Confident88.7Confident4 Ų463 Ų632%0.01833%0.326CS..THydrogen-bonded Turntrans-64.3-11.9-177.1-71.9-85.7000115.3I99 L103 L115 L118 I311 V314I99-F109 HydrophobicContact CB-CE2 4.39Å; I99-F109 HydrophobicContact CD1-CD2 3.66Å; I99-F109 HydrophobicContact CD1-CE2 3.96Å; I99-F109 HydrophobicContact CG1-CD2 3.98Å; I99-F109 HydrophobicContact CG1-CE2 4.02Å; I99-F109 HydrophobicContact CG2-CD2 4.29Å; I99-F109 HydrophobicContact CG2-CE2 3.49Å; I99-F109 VanDerWaalsContact CG2-CE2 3.49Å; I99-F109 HydrophobicContact CG2-CZ 3.97Å; L103-F109 HydrophobicContact CB-CE2 4.33Å; L103-F109 HydrophobicContact CB-CZ 3.83Å; L103-F109 HydrophobicContact CD1-CE1 4.31Å; L103-F109 HydrophobicContact CD1-CZ 3.83Å; L103-F109 HydrophobicContact CG-CZ 4.46Å; F109-L115 HydrophobicContact CD1-CD2 3.85Å; F109-L118 HydrophobicContact CE1-CD2 3.75Å; F109-L118 HydrophobicContact CZ-CD2 4.36Å; F109-I311 HydrophobicContact CB-CD1 3.64Å; F109-I311 HydrophobicContact CD1-CD1 3.95Å; F109-I311 HydrophobicContact CG-CD1 4.2Å; F109-V314 HydrophobicContact CD1-CG2 3.94Å; F109-V314 HydrophobicContact CE1-CG1 3.99Å; F109-V314 HydrophobicContact CE1-CG2 3.87Å
110F84.7Confident89.3Confident148 Ų14863 Ų6365%0.64933%0.327SS*.THydrogen-bonded Turntrans-98.2-2.9175.5-56.2-81.2000112.7P92 I97 N108P92-F110 HydrophobicContact CG-CD1 4.07Å; P92-F110 HydrophobicContact CG-CE1 3.82Å; I97-F110 HydrophobicContact CD1-CE1 3.5Å; I97-F110 HydrophobicContact CD1-CZ 3.51Å; N108-F110 PolarHBondContact O-N 3.18Å; N108-F110 PolarHBondContact OD1-N 3.33Å
111D89.8Confident90Very high63 Ų6367.1 Ų67.134%0.33735%0.348SS..  trans-105.4125.7175.6178.154000110.4N108 D113 S114 L115N108-D111 HydrophobicContact CB-CB 4Å; N108-D111 PolarHBondContact O-N 3.46Å; D111-D113 VanDerWaalsContact C-N 3.3Å; D111-D113 PolarHBondContact O-N 2.7Å; D111-S114 PolarHBondContact O-N 2.7Å; D111-S114 WeakPolarHBondContact OD2-CB 3.22Å; D111-S114 PolarHBondContact OD2-N 2.75Å; D111-L115 WeakPolarHBondContact O-CG 3.41Å; D111-L115 PolarHBondContact O-N 3.2Å
112V89.2Confident90.5Very high62 Ų6261.9 Ų61.938%0.37632%0.323SS..Hα-helixtrans-69.3-32.2-173.31760000111.5T82 G116T82-V112 HydrophobicContact CG2-CG1 4.14Å; T82-V112 WeakPolarHBondContact CG2-O 3.45Å; T82-V112 WeakPolarHBondContact OG1-CG1 3.35Å; V112-G116 PolarHBondContact O-N 2.81Å
113D92.2Very high91.3Very high120 Ų12058 Ų5864%0.64231%0.305SS*.Hα-helixtrans-71.5-45.8178.2-68.9-29000110.2D111 L115 G116 E117D111-D113 VanDerWaalsContact C-N 3.3Å; D111-D113 PolarHBondContact O-N 2.7Å; D113-L115 VanDerWaalsContact C-N 3.35Å; D113-L115 PolarHBondContact O-N 3.04Å; D113-G116 CarbonylContact O-C 3.55Å; D113-G116 VanDerWaalsContact O-CA 3.28Å; D113-G116 WeakPolarHBondContact O-CA 3.26Å; D113-G116 PolarHBondContact O-N 3.02Å; D113-E117 PolarHBondContact O-N 3.25Å
114S94Very high91.9Very high11 Ų1157.9 Ų57.98%0.07731%0.305CS..Hα-helixtrans-63.6-35.2174.2-166.60000113.3Y107 N108 D111 G116 E117 L118Y107-S114 WeakPolarHBondContact CA-OG 3.2Å; N108-S114 PolarHBondContact N-OG 2.95Å; D111-S114 PolarHBondContact O-N 2.7Å; D111-S114 WeakPolarHBondContact OD2-CB 3.22Å; D111-S114 PolarHBondContact OD2-N 2.75Å; S114-G116 VanDerWaalsContact C-N 3.28Å; S114-G116 PolarHBondContact O-N 2.61Å; S114-E117 WeakPolarHBondContact O-CB 3.39Å; S114-E117 PolarHBondContact O-N 3.24Å; S114-L118 PolarHBondContact O-N 2.74Å
115L93.5Very high92.5Very high3 Ų354.9 Ų54.92%0.01631%0.307CS..Hα-helixtrans-62.9-36.2167.9-76.6176.8000112T82 T90 F109 D111 D113 E117 L118 I119 V314T82-L115 HydrophobicContact CG2-CB 3.96Å; T90-L115 WeakPolarHBondContact O-CD1 3.1Å; F109-L115 HydrophobicContact CD1-CD2 3.85Å; D111-L115 WeakPolarHBondContact O-CG 3.41Å; D111-L115 PolarHBondContact O-N 3.2Å; D113-L115 VanDerWaalsContact C-N 3.35Å; D113-L115 PolarHBondContact O-N 3.04Å; L115-E117 VanDerWaalsContact C-N 3.35Å; L115-L118 HydrophobicContact CD2-CD2 4.41Å; L115-L118 PolarHBondContact O-N 2.61Å; L115-I119 VanDerWaalsContact O-CG1 3.27Å; L115-I119 WeakPolarHBondContact O-CG1 3.38Å; L115-I119 PolarHBondContact O-N 2.82Å; L115-V314 HydrophobicContact CD2-CG2 4.02Å
116G95.9Very high93Very high6 Ų653.9 Ų53.96%0.06228%0.281CS..Hα-helixtrans-63.4-40.3174.600000112.6G81 V112 D113 S114 I119 N120G81-G116 WeakPolarHBondContact CA-O 3.33Å; V112-G116 PolarHBondContact O-N 2.81Å; D113-G116 CarbonylContact O-C 3.55Å; D113-G116 VanDerWaalsContact O-CA 3.28Å; D113-G116 WeakPolarHBondContact O-CA 3.26Å; D113-G116 PolarHBondContact O-N 3.02Å; S114-G116 VanDerWaalsContact C-N 3.28Å; S114-G116 PolarHBondContact O-N 2.61Å; G116-I119 PolarHBondContact O-N 2.96Å; G116-N120 VanDerWaalsContact O-CG 3.29Å; G116-N120 PolarHBondContact O-N 2.79Å; G116-N120 VanDerWaalsContact O-N 3.08Å; G116-N120 PolarHBondContact O-ND2 3.11Å
117E96.3Very high93.5Very high113 Ų11351.3 Ų51.353%0.52827%0.267SS..Hα-helixtrans-61.7-49.6173-66.7175.7167.200111.1Y107 D113 S114 L115 I119 N120 D121Y107-E117 HydrophobicContact CD1-CB 4.44Å; Y107-E117 HydrophobicContact CE1-CB 4.27Å; D113-E117 PolarHBondContact O-N 3.25Å; S114-E117 WeakPolarHBondContact O-CB 3.39Å; S114-E117 PolarHBondContact O-N 3.24Å; L115-E117 VanDerWaalsContact C-N 3.35Å; E117-I119 VanDerWaalsContact C-N 3.3Å; E117-I119 PolarHBondContact O-N 2.96Å; E117-N120 PolarHBondContact O-N 3.49Å; E117-N120 VanDerWaalsContact O-N 3.11Å; E117-D121 WeakPolarHBondContact O-CB 3.31Å; E117-D121 PolarHBondContact O-N 3.01Å
118L94.7Very high93.9Very high4 Ų456.4 Ų56.42%0.02129%0.29CS..Hα-helixtrans-53-46.9175.117164.8000112.1L103 Y107 F109 S114 L115 D121 K122 V314L103-L118 HydrophobicContact CD1-CD1 4.36Å; L103-L118 HydrophobicContact CD2-CD1 3.91Å; Y107-L118 HydrophobicContact CD1-CB 3.75Å; Y107-L118 HydrophobicContact CD2-CB 4.19Å; Y107-L118 HydrophobicContact CD2-CD1 3.77Å; Y107-L118 HydrophobicContact CD2-CG 4.42Å; Y107-L118 HydrophobicContact CE1-CB 3.87Å; Y107-L118 HydrophobicContact CE1-CD1 4.5Å; Y107-L118 HydrophobicContact CE2-CB 4.3Å; Y107-L118 HydrophobicContact CE2-CD1 3.51Å; Y107-L118 HydrophobicContact CE2-CG 4.47Å; Y107-L118 HydrophobicContact CG-CB 3.91Å; Y107-L118 HydrophobicContact CG-CD1 4.37Å; F109-L118 HydrophobicContact CE1-CD2 3.75Å; F109-L118 HydrophobicContact CZ-CD2 4.36Å; S114-L118 PolarHBondContact O-N 2.74Å; L115-L118 HydrophobicContact CD2-CD2 4.41Å; L115-L118 PolarHBondContact O-N 2.61Å; L118-D121 PolarHBondContact O-N 3.33Å; L118-K122 HydrophobicContact CD1-CG 3.8Å; L118-K122 WeakPolarHBondContact O-CB 3.37Å; L118-K122 VanDerWaalsContact O-CG 3.3Å; L118-K122 WeakPolarHBondContact O-CG 3.28Å; L118-K122 PolarHBondContact O-N 3.43Å; L118-V314 HydrophobicContact CD2-CG1 4.44Å; L118-V314 HydrophobicContact CD2-CG2 4.03Å
119I95.7Very high94.3Very high3 Ų353.8 Ų53.82%0.01528%0.277CS..Hα-helixtrans-62-46.3180-67.3163.2000110.4T82 L85 L115 G116 E117 K122 T123 L252 I313 L317T82-I119 HydrophobicContact CG2-CD1 3.74Å; L85-I119 HydrophobicContact CD1-CD1 4.03Å; L115-I119 VanDerWaalsContact O-CG1 3.27Å; L115-I119 WeakPolarHBondContact O-CG1 3.38Å; L115-I119 PolarHBondContact O-N 2.82Å; G116-I119 PolarHBondContact O-N 2.96Å; E117-I119 VanDerWaalsContact C-N 3.3Å; E117-I119 PolarHBondContact O-N 2.96Å; I119-K122 PolarHBondContact O-N 2.92Å; I119-T123 HydrophobicContact CG2-CG2 4.46Å; I119-T123 WeakPolarHBondContact O-CB 3.38Å; I119-T123 WeakPolarHBondContact O-CG2 3.35Å; I119-T123 PolarHBondContact O-N 3.12Å; I119-T123 VanDerWaalsContact O-N 3.12Å; I119-T123 PolarHBondContact O-OG1 3.02Å; I119-L252 HydrophobicContact CG2-CD1 4.09Å; I119-L252 HydrophobicContact CG2-CD2 3.99Å; I119-I313 HydrophobicContact CD1-CD1 4.37Å; I119-I313 HydrophobicContact CD1-CG1 3.67Å; I119-I313 HydrophobicContact CG1-CG1 4.1Å; I119-L317 HydrophobicContact CG1-CD1 4.47Å; I119-L317 HydrophobicContact CG1-CD2 4.38Å; I119-L317 HydrophobicContact CG2-CD1 4.26Å
120N96.6Very high94.9Very high54 Ų5460 Ų6029%0.28931%0.306SS..Hα-helixtrans-65.8-38.5-179.6-68.9-26.6000111.9N79 L80 G81 G116 E117 K122 T123N79-N120 VanDerWaalsContact C-OD1 3.24Å; N79-N120 VanDerWaalsContact CA-OD1 3.3Å; N79-N120 WeakPolarHBondContact CA-OD1 3.44Å; L80-N120 PolarHBondContact N-OD1 2.99Å; G81-N120 WeakPolarHBondContact CA-OD1 3.02Å; G81-N120 PolarHBondContact N-OD1 2.84Å; G116-N120 VanDerWaalsContact O-CG 3.29Å; G116-N120 PolarHBondContact O-N 2.79Å; G116-N120 VanDerWaalsContact O-N 3.08Å; G116-N120 PolarHBondContact O-ND2 3.11Å; E117-N120 PolarHBondContact O-N 3.49Å; E117-N120 VanDerWaalsContact O-N 3.11Å; N120-K122 VanDerWaalsContact C-N 3.3Å; N120-K122 PolarHBondContact O-N 2.85Å; N120-T123 PolarHBondContact O-N 2.96Å; N120-T123 VanDerWaalsContact O-O 3.11Å; N120-T123 PolarHBondContact O-OG1 3.04Å
121D95.7Very high95.5Very high102 Ų10253.1 Ų53.155%0.54528%0.276SS..Hα-helixtrans-69.3-28.7178.6-71.4-13.8000112.9Y107 E117 L118Y107-D121 WeakPolarHBondContact OH-CB 3.41Å; Y107-D121 PolarHBondContact OH-OD2 3.48Å; E117-D121 WeakPolarHBondContact O-CB 3.31Å; E117-D121 PolarHBondContact O-N 3.01Å; L118-D121 PolarHBondContact O-N 3.33Å
122K95.3Very high95.8Very high39 Ų3951.3 Ų51.317%0.1727%0.268CS..THydrogen-bonded Turntrans-98.68.3179.9-61.3-60-178.7-174.30113.5L118 I119 N120 L317 Y323 S324L118-K122 HydrophobicContact CD1-CG 3.8Å; L118-K122 WeakPolarHBondContact O-CB 3.37Å; L118-K122 VanDerWaalsContact O-CG 3.3Å; L118-K122 WeakPolarHBondContact O-CG 3.28Å; L118-K122 PolarHBondContact O-N 3.43Å; I119-K122 PolarHBondContact O-N 2.92Å; N120-K122 VanDerWaalsContact C-N 3.3Å; N120-K122 PolarHBondContact O-N 2.85Å; K122-L317 HydrophobicContact CB-CD2 3.78Å; K122-L317 HydrophobicContact CG-CD2 4.42Å; K122-Y323 HydrophobicContact CB-CD2 4.42Å; K122-Y323 HydrophobicContact CB-CE2 4.09Å; K122-Y323 VanDerWaalsContact O-CD2 3.3Å; K122-Y323 WeakPolarHBondContact O-CD2 3.42Å; K122-S324 PolarHBondContact O-N 3.43Å
123T97.4Very high96.3Very high8 Ų848.8 Ų48.85%0.04925%0.253CS..BIsolated β-bridgetrans-123.3154.2174.251.20000111W78 I119 N120 L252 L317 Y322W78-T123 HydrophobicContact CB-CG2 4.33Å; I119-T123 HydrophobicContact CG2-CG2 4.46Å; I119-T123 WeakPolarHBondContact O-CB 3.38Å; I119-T123 WeakPolarHBondContact O-CG2 3.35Å; I119-T123 PolarHBondContact O-N 3.12Å; I119-T123 VanDerWaalsContact O-N 3.12Å; I119-T123 PolarHBondContact O-OG1 3.02Å; N120-T123 PolarHBondContact O-N 2.96Å; N120-T123 VanDerWaalsContact O-O 3.11Å; N120-T123 PolarHBondContact O-OG1 3.04Å; T123-L252 HydrophobicContact CG2-CD2 4.16Å; T123-L317 HydrophobicContact CG2-CD1 4.28Å; T123-Y322 CarbonylContact C-O 3.56Å; T123-Y322 WeakPolarHBondContact CA-O 3.32Å; T123-Y322 WeakPolarHBondContact CB-O 3.44Å
124T97.6Very high96.6Very high9 Ų943.1 Ų43.16%0.05522%0.222CC..PPolyproline II helixtrans-67.3147.417860.90000110.8G77 W78 R127 E238 E242 Y322G77-T124 CarbonylContact C-O 3.54Å; G77-T124 WeakPolarHBondContact CA-O 3.33Å; G77-T124 WeakPolarHBondContact CA-OG1 3.43Å; W78-T124 PolarHBondContact N-O 3.41Å; T124-R127 PolarHBondContact OG1-NH1 3.19Å; T124-E238 VanDerWaalsContact CG2-CD 3.42Å; T124-E238 HydrophobicContact CG2-CG 4.31Å; T124-E238 WeakPolarHBondContact CG2-OE1 3.22Å; T124-E242 WeakPolarHBondContact CG2-OE1 3.36Å; T124-E242 VanDerWaalsContact OG1-CD 3.28Å; T124-E242 PolarHBondContact OG1-OE1 2.86Å; T124-E242 PolarHBondContact OG1-OE2 3Å; T124-Y322 PolarHBondContact N-O 3.42Å
125S96.4Very high96.8Very high88 Ų8842.6 Ų42.662%0.61522%0.219SC*.PPolyproline II helixtrans-65.7144.5-176.862.50000112.2R127S125-R127 PolarHBondContact O-N 3.07Å; S125-R127 PolarHBondContact O-NH1 2.84Å
126L97.5Very high97Very high65 Ų6542.5 Ų42.534%0.3422%0.218SC..PPolyproline II helixtrans-59.9121.5177.5-173.479.4000110.4I75 L76 N79I75-L126 HydrophobicContact CG2-CD1 3.69Å; I75-L126 HydrophobicContact CG2-CG 4.39Å; L76-L126 CarbonylContact O-C 3.54Å; L76-L126 WeakPolarHBondContact O-CA 3.44Å; N79-L126 HydrophobicContact CB-CB 4.06Å
127R98Very high97.2Very high58 Ų5842.5 Ų42.522%0.21922%0.216CC..EExtended strand (participates in β ladder)trans-147.2157-177.664.3-161.8177-73.9-1.4111.7I75 L76 T124 S125 D239 E242I75-R127 WeakPolarHBondContact CA-O 3.2Å; L76-R127 PolarHBondContact N-O 2.95Å; L76-R127 PolarHBondContact O-N 3.36Å; T124-R127 PolarHBondContact OG1-NH1 3.19Å; S125-R127 PolarHBondContact O-N 3.07Å; S125-R127 PolarHBondContact O-NH1 2.84Å; R127-D239 IonicContact CZ-OD1 3.9Å; R127-D239 IonicContact NE-OD1 3.27Å; R127-D239 PolarHBondContact NE-OD1 3.42Å; R127-D239 IonicContact NH2-OD1 3.84Å; R127-D239 PolarHBondContact NH2-OD1 2.95Å; R127-E242 IonicContact CZ-OE2 2.66Å; R127-E242 IonicContact NH1-OE2 2.79Å; R127-E242 IonicContact NH2-OE2 2.8Å; R127-E242 PolarHBondContact NH2-OE2 3.34Å
128K98Very high97.3Very high139 Ų13938 Ų3860%0.60419%0.194SC*.EExtended strand (participates in β ladder)trans-103.2125.4170.8-173.6-177.8180-172.90108.3D73 A74D73-K128 VanDerWaalsContact CB-CE 3.42Å; D73-K128 WeakPolarHBondContact OD1-CE 3.21Å; D73-K128 IonicContact OD1-NZ 3.8Å; D73-K128 PolarHBondContact OD1-NZ 2.93Å; A74-K128 CarbonylContact O-C 3.48Å; A74-K128 VanDerWaalsContact O-CA 3.32Å; A74-K128 WeakPolarHBondContact O-CA 3.23Å
129V97.6Very high97.4Very high31 Ų3140.6 Ų40.619%0.18821%0.206CC..EExtended strand (participates in β ladder)trans-139.2150.6-175.566.40000111.2A74 L76 I131 D239A74-V129 HydrophobicContact CB-CG1 4.37Å; A74-V129 WeakPolarHBondContact CB-O 3.39Å; A74-V129 PolarHBondContact N-O 2.57Å; A74-V129 PolarHBondContact O-N 2.91Å; L76-V129 HydrophobicContact CD1-CG1 3.53Å; L76-V129 HydrophobicContact CG-CG1 3.91Å; V129-I131 HydrophobicContact CG1-CD1 3.83Å; V129-I131 HydrophobicContact CG1-CG1 4.28Å; V129-D239 HydrophobicContact CG1-CB 4.23Å; V129-D239 HydrophobicContact CG2-CB 4.35Å
130Q96.3Very high97.5Very high134 Ų13441.3 Ų41.363%0.62621%0.213SC*.EExtended strand (participates in β ladder)trans-89.1121.7173.1174.1174.1-3.300109.8
131I97.8Very high97.5Very high4 Ų439.1 Ų39.12%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-105.3122.7175.6-54.9-61000109.4G70 N71 A74 L76 V129 M134 D239 Y243G70-I131 CarbonylContact C-O 3.49Å; G70-I131 WeakPolarHBondContact CA-O 3.37Å; N71-I131 PolarHBondContact N-O 2.71Å; N71-I131 PolarHBondContact O-N 2.89Å; A74-I131 HydrophobicContact CB-CG1 3.81Å; L76-I131 HydrophobicContact CD1-CD1 4.2Å; V129-I131 HydrophobicContact CG1-CD1 3.83Å; V129-I131 HydrophobicContact CG1-CG1 4.28Å; I131-M134 HydrophobicContact CG2-CE 3.63Å; I131-D239 HydrophobicContact CD1-CB 3.82Å; I131-Y243 HydrophobicContact CB-CD1 4.21Å; I131-Y243 HydrophobicContact CB-CG 4.25Å; I131-Y243 HydrophobicContact CG1-CD1 4.37Å; I131-Y243 HydrophobicContact CG1-CD2 4.24Å; I131-Y243 HydrophobicContact CG1-CG 3.91Å; I131-Y243 HydrophobicContact CG2-CD1 3.51Å; I131-Y243 HydrophobicContact CG2-CE1 4.01Å; I131-Y243 HydrophobicContact CG2-CG 3.92Å
132P97Very high97.7Very high25 Ų2534.4 Ų34.416%0.16218%0.176CC..  trans-70.7155.1175.530.7-34.7000110.9M134 L347P132-M134 HydrophobicContact CG-CE 4.3Å; P132-M134 WeakPolarHBondContact O-CE 3.35Å; P132-L347 HydrophobicContact CG-CD2 4.48Å
133P98Very high97.7Very high9 Ų932.5 Ų32.56%0.05817%0.168CC..  trans-62.4153.9165.6-11.625.8000110.5L7 F67 I68 I348L7-P133 HydrophobicContact CB-CB 3.95Å; L7-P133 HydrophobicContact CB-CG 3.45Å; L7-P133 VanDerWaalsContact CB-CG 3.45Å; L7-P133 HydrophobicContact CD1-CB 4.41Å; L7-P133 HydrophobicContact CD1-CG 4.16Å; L7-P133 HydrophobicContact CG-CG 4.46Å; F67-P133 HydrophobicContact CE2-CB 4Å; F67-P133 HydrophobicContact CZ-CB 3.89Å; I68-P133 WeakPolarHBondContact O-CA 3.12Å; P133-I348 HydrophobicContact CB-CB 4.17Å; P133-I348 HydrophobicContact CB-CG1 4.29Å; P133-I348 VanDerWaalsContact O-CB 3.26Å; P133-I348 WeakPolarHBondContact O-CB 3.46Å; P133-I348 WeakPolarHBondContact O-CG1 3.49Å; P133-I348 PolarHBondContact O-N 2.88Å
134M98.4Very high97.5Very high1 Ų132.1 Ų32.11%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-159.9154.4-174.853.7-175.687.300112.7I68 I131 P132 V136 L236 Q240 V244 I346 L347I68-M134 HydrophobicContact CB-CG 4.24Å; I68-M134 PolarHBondContact N-O 2.99Å; I68-M134 PolarHBondContact O-N 2.9Å; I131-M134 HydrophobicContact CG2-CE 3.63Å; P132-M134 HydrophobicContact CG-CE 4.3Å; P132-M134 WeakPolarHBondContact O-CE 3.35Å; M134-V136 HydrophobicContact CB-CG2 4.2Å; M134-V136 HydrophobicContact CG-CG2 3.49Å; M134-V136 VanDerWaalsContact CG-CG2 3.49Å; M134-V136 HydrophobicContact SD-CG2 3.54Å; M134-V136 VanDerWaalsContact SD-CG2 3.54Å; M134-L236 HydrophobicContact SD-CD2 3.66Å; M134-Q240 HydrophobicContact CE-CB 4.06Å; M134-Q240 HydrophobicContact CE-CG 3.89Å; M134-V244 HydrophobicContact SD-CG1 3.82Å; M134-I346 CarbonylContact C-O 3.55Å; M134-I346 WeakPolarHBondContact CA-O 3.41Å; M134-I346 WeakPolarHBondContact CB-O 3.46Å; M134-L347 HydrophobicContact CB-CD2 3.92Å; M134-L347 HydrophobicContact CE-CD2 4Å; M134-L347 HydrophobicContact SD-CD2 4.09Å
135F98.7Very high97.5Very high0 Ų031.7 Ų31.70%016%0.163CC..EExtended strand (participates in β ladder)trans-90135.1157.5-65-82.4000108.6L24 L27 L28 V32 L58 F65 V66 F67 A345 I346 I348L24-F135 HydrophobicContact CD1-CE1 3.65Å; L24-F135 HydrophobicContact CD1-CZ 3.76Å; L27-F135 HydrophobicContact CB-CE2 4.04Å; L27-F135 HydrophobicContact CB-CZ 4.08Å; L28-F135 HydrophobicContact CD2-CE1 3.96Å; L28-F135 HydrophobicContact CD2-CE2 4.19Å; L28-F135 HydrophobicContact CD2-CZ 3.56Å; L28-F135 HydrophobicContact CG-CZ 4.25Å; V32-F135 HydrophobicContact CG2-CD2 4.45Å; V32-F135 HydrophobicContact CG2-CE2 4.29Å; L58-F135 HydrophobicContact CD1-CE1 4.2Å; L58-F135 HydrophobicContact CD2-CD1 3.92Å; L58-F135 HydrophobicContact CD2-CE1 4.01Å; F65-F135 HydrophobicContact CD1-CB 4.36Å; V66-F135 CarbonylContact O-C 3.49Å; V66-F135 WeakPolarHBondContact O-CA 3.47Å; F67-F135 HydrophobicContact CB-CD1 3.9Å; F67-F135 HydrophobicContact CB-CE1 3.74Å; F67-F135 HydrophobicContact CD2-CD1 4.17Å; F67-F135 AromaticContact CD2-CE1 3.95Å; F67-F135 HydrophobicContact CD2-CE1 3.95Å; F67-F135 HydrophobicContact CD2-CE2 4.38Å; F67-F135 HydrophobicContact CD2-CG 4.5Å; F67-F135 HydrophobicContact CD2-CZ 4.05Å; F67-F135 HydrophobicContact CG-CE1 4.25Å; F135-A345 CarbonylContact O-C 3.52Å; F135-A345 WeakPolarHBondContact O-CA 3.29Å; F135-A345 WeakPolarHBondContact O-CB 3.4Å; F135-I346 HydrophobicContact CB-CB 4.18Å; F135-I346 HydrophobicContact CD2-CB 4.3Å; F135-I346 PolarHBondContact N-O 2.9Å; F135-I346 PolarHBondContact O-N 2.87Å; F135-I348 HydrophobicContact CD2-CD1 4.15Å; F135-I348 HydrophobicContact CE2-CD1 4.13Å
136V98.8Very high97.4Very high0 Ų029.3 Ų29.30%014%0.143CC..EExtended strand (participates in β ladder)trans-131.9134.2-177.5-173.60000109.7F65 V66 I68 M134 R138 L236 V244 L282 R343 A345F65-V136 CarbonylContact C-O 3.49Å; F65-V136 WeakPolarHBondContact CA-O 3.26Å; F65-V136 VanDerWaalsContact CD1-C 3.41Å; V66-V136 PolarHBondContact N-O 2.87Å; V66-V136 PolarHBondContact O-N 3.45Å; I68-V136 HydrophobicContact CD1-CB 4.03Å; I68-V136 HydrophobicContact CD1-CG2 3.84Å; I68-V136 HydrophobicContact CG1-CG2 4.27Å; M134-V136 HydrophobicContact CB-CG2 4.2Å; M134-V136 HydrophobicContact CG-CG2 3.49Å; M134-V136 VanDerWaalsContact CG-CG2 3.49Å; M134-V136 HydrophobicContact SD-CG2 3.54Å; M134-V136 VanDerWaalsContact SD-CG2 3.54Å; V136-R138 PolarHBondContact O-N 2.93Å; V136-L236 HydrophobicContact CG1-CD1 4.2Å; V136-L236 HydrophobicContact CG2-CD2 4.43Å; V136-V244 HydrophobicContact CG2-CG1 4.18Å; V136-L282 HydrophobicContact CB-CD1 4.29Å; V136-L282 HydrophobicContact CB-CD2 4.22Å; V136-L282 HydrophobicContact CG1-CD1 3.78Å; V136-L282 HydrophobicContact CG1-CD2 4.17Å; V136-R343 HydrophobicContact CG1-CG 4.12Å; V136-A345 HydrophobicContact CG2-CB 4.4Å
137Q98.7Very high97.3Very high7 Ų729.4 Ų29.43%0.03314%0.139CC..EExtended strand (participates in β ladder)trans-63.7130.9177.5-164.7174.211.200110.5E63 E64 F65 H139 R343 K344E63-Q137 PolarHBondContact OE1-NE2 3.46Å; E64-Q137 WeakPolarHBondContact O-CA 3.43Å; F65-Q137 HydrophobicContact CD1-CB 4.12Å; F65-Q137 VanDerWaalsContact CD1-N 3.31Å; F65-Q137 HydrophobicContact CE1-CB 3.71Å; F65-Q137 HydrophobicContact CE1-CG 4.33Å; F65-Q137 HydrophobicContact CE2-CG 4.31Å; F65-Q137 HydrophobicContact CZ-CB 3.94Å; F65-Q137 HydrophobicContact CZ-CG 4.08Å; Q137-H139 VanDerWaalsContact CG-O 3.28Å; Q137-H139 WeakPolarHBondContact CG-O 3.26Å; Q137-H139 PolarHBondContact O-N 2.8Å; Q137-R343 HydrophobicContact CB-CG 4.03Å; Q137-R343 PolarHBondContact O-NH1 2.83Å; Q137-K344 HydrophobicContact CB-CB 4.34Å; Q137-K344 WeakPolarHBondContact CB-O 3.5Å; Q137-K344 PolarHBondContact N-O 3.42Å
138R98.4Very high97.2Very high18 Ų1826.8 Ų26.87%0.06813%0.13CC..SBendtrans-61.8-44.2-175.3-72.7-17279-154.34.3112.5E64 V66 V136 E277 G281 L282 F283 R343E64-R138 HydrophobicContact CB-CB 4.04Å; E64-R138 HydrophobicContact CB-CG 3.94Å; E64-R138 VanDerWaalsContact CD-NH1 3.33Å; E64-R138 PolarHBondContact O-N 3.22Å; E64-R138 IonicContact OE1-CZ 3.27Å; E64-R138 IonicContact OE1-NH1 2.67Å; E64-R138 PolarHBondContact OE1-NH1 2.86Å; E64-R138 IonicContact OE2-NH1 3.21Å; E64-R138 PolarHBondContact OE2-NH1 2.96Å; V66-R138 HydrophobicContact CG2-CG 3.62Å; V136-R138 PolarHBondContact O-N 2.93Å; R138-E277 IonicContact CZ-OE2 3.78Å; R138-E277 IonicContact NH2-OE2 3.65Å; R138-E277 PolarHBondContact NH2-OE2 3.29Å; R138-G281 PolarHBondContact NE-O 3.22Å; R138-L282 HydrophobicContact CG-CD2 4.47Å; R138-F283 PolarHBondContact O-N 2.76Å; R138-R343 PolarHBondContact O-NH1 2.9Å
139H97.1Very high97.1Very high59 Ų5920.2 Ų20.227%0.27310%0.102SC..SBendtrans-109.2133.9176.8-63-95.7000109.2E64 Q137 F283E64-H139 IonicContact OE2-CD2 2.95Å; E64-H139 IonicContact OE2-NE2 3.4Å; Q137-H139 VanDerWaalsContact CG-O 3.28Å; Q137-H139 WeakPolarHBondContact CG-O 3.26Å; Q137-H139 PolarHBondContact O-N 2.8Å; H139-F283 AromaticContact CE1-CD2 3.17Å; H139-F283 WeakPolarHBondContact CE1-CD2 3.31Å; H139-F283 AromaticContact CE1-CE2 3.66Å; H139-F283 AromaticContact CE1-CG 3.47Å; H139-F283 VanDerWaalsContact CE1-CG 3.47Å; H139-F283 WeakPolarHBondContact CE1-CG 3.37Å; H139-F283 AromaticContact ND1-CD2 3.89Å; H139-F283 AromaticContact ND1-CG 3.92Å; H139-F283 AromaticContact NE2-CD2 3.26Å; H139-F283 VanDerWaalsContact NE2-CD2 3.26Å; H139-F283 WeakPolarHBondContact NE2-CD2 3.17Å; H139-F283 AromaticContact NE2-CE2 3.55Å
140A98Very high97Very high18 Ų1820.2 Ų20.215%0.14910%0.101CC..PPolyproline II helixtrans-69.7146.1164.300000108.6E292 L341 Y342 R343A140-E292 HydrophobicContact CB-CG 4.42Å; A140-L341 HydrophobicContact CB-CB 4.02Å; A140-L341 HydrophobicContact CB-CD1 4.4Å; A140-Y342 CarbonylContact C-O 3.58Å; A140-Y342 WeakPolarHBondContact CA-O 3.17Å; A140-R343 HydrophobicContact CB-CB 4.27Å
141L97.8Very high97.1Very high7 Ų714.1 Ų14.14%0.0377%0.073CC..EExtended strand (participates in β ladder)trans-97.8146.1178.8-61.3180000110.3E63 A143 F214 L341 Y342E63-L141 WeakPolarHBondContact OE1-CD1 3.42Å; L141-A143 PolarHBondContact O-N 3.15Å; L141-F214 HydrophobicContact CD2-CE1 3.92Å; L141-L341 CarbonylContact O-C 3.55Å; L141-L341 VanDerWaalsContact O-CA 3.23Å; L141-L341 WeakPolarHBondContact O-CA 3.36Å; L141-Y342 HydrophobicContact CB-CD1 3.99Å; L141-Y342 HydrophobicContact CB-CE1 3.52Å; L141-Y342 HydrophobicContact CD1-CE1 4.16Å; L141-Y342 HydrophobicContact CD1-CE2 4.35Å; L141-Y342 WeakPolarHBondContact CD1-OH 3.2Å; L141-Y342 HydrophobicContact CG-CE1 4.47Å; L141-Y342 PolarHBondContact N-O 2.88Å; L141-Y342 WeakPolarHBondContact O-CD1 3.41Å; L141-Y342 PolarHBondContact O-N 2.81Å
142P98Very high97Very high3 Ų316 Ų162%0.0198%0.083CC..EExtended strand (participates in β ladder)trans-54.4135165-20.131.1000110.9T145 Y201 F214 P337 Y342P142-T145 HydrophobicContact CB-CG2 3.89Å; P142-T145 WeakPolarHBondContact O-CB 3.47Å; P142-T145 PolarHBondContact O-N 3.48Å; P142-T145 PolarHBondContact O-OG1 2.86Å; P142-Y201 HydrophobicContact CB-CD1 4.2Å; P142-Y201 HydrophobicContact CB-CE1 3.9Å; P142-Y201 HydrophobicContact CG-CD1 4.06Å; P142-Y201 HydrophobicContact CG-CE1 3.62Å; P142-F214 HydrophobicContact CG-CE2 4.42Å; P142-F214 HydrophobicContact CG-CZ 4.29Å; P142-P337 HydrophobicContact CB-CB 3.43Å; P142-P337 VanDerWaalsContact CB-CB 3.43Å; P142-Y342 WeakPolarHBondContact O-CE1 3.44Å
143A96.1Very high96.7Very high0 Ų015.6 Ų15.60%08%0.081CC..THydrogen-bonded Turntrans-59.3144.9-179.200000111.4L141 T145 L335 P337 Y340L141-A143 PolarHBondContact O-N 3.15Å; A143-T145 PolarHBondContact O-N 3.39Å; A143-L335 HydrophobicContact CB-CB 3.64Å; A143-L335 HydrophobicContact CB-CD1 4.4Å; A143-P337 WeakPolarHBondContact O-CB 3.43Å; A143-Y340 WeakPolarHBondContact CB-O 3.28Å; A143-Y340 PolarHBondContact N-O 3.17Å
144G93.4Very high96.3Very high0 Ų020.3 Ų20.30%011%0.109CC..THydrogen-bonded Turntrans81.3-6.3-175.700000114.7E217G144-E217 VanDerWaalsContact CA-O 3.26Å; G144-E217 WeakPolarHBondContact CA-O 3.22Å; G144-E217 PolarHBondContact O-N 3.49Å; G144-E217 VanDerWaalsContact O-O 3.07Å
145T96.9Very high96Very high0 Ų024.7 Ų24.70%014%0.136CC..EExtended strand (participates in β ladder)trans-108.3154.3-170.776.60000114.7P142 A143 Y201 F214 S215 P337 Y342P142-T145 HydrophobicContact CB-CG2 3.89Å; P142-T145 WeakPolarHBondContact O-CB 3.47Å; P142-T145 PolarHBondContact O-N 3.48Å; P142-T145 PolarHBondContact O-OG1 2.86Å; A143-T145 PolarHBondContact O-N 3.39Å; T145-Y201 HydrophobicContact CG2-CD1 4.12Å; T145-Y201 HydrophobicContact CG2-CG 4.22Å; T145-F214 HydrophobicContact CG2-CB 4.2Å; T145-S215 CarbonylContact C-O 3.03Å; T145-S215 WeakPolarHBondContact CA-O 3.13Å; T145-P337 HydrophobicContact CG2-CB 4.11Å; T145-Y342 PolarHBondContact O-OH 3.39Å
146N94.9Very high95.6Very high38 Ų3826 Ų2620%0.20315%0.149CC..EExtended strand (participates in β ladder)trans-123.2133.6162.8-46.4-80.8000109.7L148 F214 S215 K227N146-L148 PolarHBondContact O-N 3.18Å; N146-F214 CarbonylContact O-C 3.53Å; N146-F214 WeakPolarHBondContact O-CA 3.34Å; N146-F214 VanDerWaalsContact O-CB 3.29Å; N146-F214 WeakPolarHBondContact O-CB 3.28Å; N146-S215 PolarHBondContact N-O 3.13Å; N146-S215 PolarHBondContact ND2-OG 3.43Å; N146-S215 PolarHBondContact O-N 2.8Å; N146-K227 PolarHBondContact ND2-NZ 2.81Å; N146-K227 WeakPolarHBondContact OD1-CE 3.39Å
147Y95.8Very high95.4Very high66 Ų6629.2 Ų29.226%0.25917%0.171SC..EExtended strand (participates in β ladder)trans-63.5131.9179.1-177.9-110.7000111.7G149 V150 Y212 F214Y147-G149 WeakPolarHBondContact CE2-O 3.35Å; Y147-G149 VanDerWaalsContact CZ-CA 3.49Å; Y147-V150 WeakPolarHBondContact OH-CG2 3.26Å; Y147-Y212 AromaticContact CE2-CD1 3.77Å; Y147-Y212 HydrophobicContact CE2-CD1 3.77Å; Y147-Y212 HydrophobicContact CE2-CE1 4.49Å; Y147-Y212 HydrophobicContact CE2-CG 4.45Å; Y147-F214 HydrophobicContact CD2-CD1 4.19Å; Y147-F214 AromaticContact CD2-CE1 3.76Å; Y147-F214 HydrophobicContact CD2-CE1 3.76Å; Y147-F214 HydrophobicContact CD2-CZ 4.3Å; Y147-F214 HydrophobicContact CG-CE1 4.47Å
148L95.5Very high95.2Very high4 Ų430.9 Ų30.92%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-110-36.9174.6-61.6-177.9000111.9N146 F158 G160 E161 Q164 Y168 V213N146-L148 PolarHBondContact O-N 3.18Å; L148-F158 HydrophobicContact CB-CZ 4.3Å; L148-G160 CarbonylContact O-C 3.56Å; L148-G160 WeakPolarHBondContact O-CA 3.38Å; L148-E161 HydrophobicContact CB-CB 4.42Å; L148-E161 HydrophobicContact CD2-CB 4.18Å; L148-E161 PolarHBondContact O-N 2.94Å; L148-Q164 HydrophobicContact CD1-CB 4.18Å; L148-Q164 HydrophobicContact CD2-CB 3.88Å; L148-Q164 HydrophobicContact CD2-CG 4.4Å; L148-Y168 HydrophobicContact CD1-CD2 4.19Å; L148-Y168 HydrophobicContact CD1-CE2 4.1Å; L148-V213 WeakPolarHBondContact CB-O 3.34Å; L148-V213 HydrophobicContact CD1-CG1 4.35Å; L148-V213 PolarHBondContact N-O 2.59Å
149G95.5Very high95Very high1 Ų133.6 Ų33.61%0.0120%0.2CC..EExtended strand (participates in β ladder)trans158.7-161-176.300000114.3Y147 S159 V213Y147-G149 WeakPolarHBondContact CE2-O 3.35Å; Y147-G149 VanDerWaalsContact CZ-CA 3.49Å; G149-S159 CarbonylContact C-O 3.58Å; G149-S159 WeakPolarHBondContact CA-O 3.33Å; G149-V213 PolarHBondContact N-O 2.83Å; G149-V213 PolarHBondContact O-N 3.01Å
150V96.9Very high94.8Very high30 Ų3033 Ų3318%0.18221%0.21CC..EExtended strand (participates in β ladder)trans-118.1131.2178.9-177.10000109.9Y147 F158 S159 I205 Y211 Y212Y147-V150 WeakPolarHBondContact OH-CG2 3.26Å; V150-F158 WeakPolarHBondContact O-CA 3.23Å; V150-F158 WeakPolarHBondContact O-CD2 3.39Å; V150-S159 PolarHBondContact N-O 2.84Å; V150-S159 PolarHBondContact O-N 2.95Å; V150-I205 HydrophobicContact CG1-CD1 3.72Å; V150-I205 HydrophobicContact CG2-CD1 4.14Å; V150-Y211 CarbonylContact C-O 3.47Å; V150-Y211 WeakPolarHBondContact CA-O 3.4Å; V150-Y212 HydrophobicContact CG2-CD1 4.03Å; V150-Y212 HydrophobicContact CG2-CE1 4.18Å
151Y97.4Very high94.6Very high6 Ų635.8 Ų35.82%0.02422%0.22CC..EExtended strand (participates in β ladder)trans-108.8126.2171.4178.3-100.9000110.2F158 F165 K173 L176 S210 Y211Y151-F158 HydrophobicContact CD2-CB 4.37Å; Y151-F165 HydrophobicContact CD2-CE1 4.41Å; Y151-F165 HydrophobicContact CD2-CE2 4.14Å; Y151-F165 AromaticContact CD2-CZ 3.56Å; Y151-F165 HydrophobicContact CD2-CZ 3.56Å; Y151-F165 AromaticContact CE2-CZ 3.98Å; Y151-F165 HydrophobicContact CE2-CZ 3.98Å; Y151-F165 HydrophobicContact CG-CZ 4.42Å; Y151-K173 WeakPolarHBondContact OH-CG 3.39Å; Y151-L176 HydrophobicContact CD1-CD1 3.67Å; Y151-L176 HydrophobicContact CE1-CD1 3.57Å; Y151-S210 CarbonylContact O-C 3.51Å; Y151-S210 VanDerWaalsContact O-CA 3.23Å; Y151-S210 WeakPolarHBondContact O-CA 3.41Å; Y151-S210 WeakPolarHBondContact O-CB 3.44Å; Y151-Y211 PolarHBondContact N-O 3.04Å; Y151-Y211 PolarHBondContact O-N 3.34Å
152D95.8Very high94.3Very high45 Ų4538.2 Ų38.224%0.24124%0.241CC..EExtended strand (participates in β ladder)trans-91.2114.8175.3-178.3-57.3000109.5V154 T155 G156 S157D152-V154 VanDerWaalsContact C-N 3.26Å; D152-V154 PolarHBondContact O-N 2.95Å; D152-V154 WeakPolarHBondContact OD1-CA 3.35Å; D152-V154 WeakPolarHBondContact OD1-CB 3.34Å; D152-V154 PolarHBondContact OD1-N 3.28Å; D152-T155 VanDerWaalsContact CB-OG1 3.3Å; D152-T155 WeakPolarHBondContact CB-OG1 3.35Å; D152-T155 PolarHBondContact OD1-N 3.05Å; D152-T155 PolarHBondContact OD1-OG1 3.33Å; D152-G156 WeakPolarHBondContact O-CA 3.4Å; D152-G156 PolarHBondContact O-N 3.32Å; D152-S157 PolarHBondContact N-O 2.91Å
153S91Very high94Very high16 Ų1644.5 Ų44.511%0.11228%0.275CS..THydrogen-bonded Turntrans-73.8-16.7-174.470.70000114.1D209S153-D209 VanDerWaalsContact CB-O 3.3Å; S153-D209 WeakPolarHBondContact CB-O 3.38Å; S153-D209 PolarHBondContact N-O 3.42Å; S153-D209 PolarHBondContact OG-O 2.94Å
154V89.9Confident93.9Very high107 Ų10748.5 Ų48.565%0.64829%0.293SS*.THydrogen-bonded Turntrans-85.9-46-179.51790000110.5D152 D209D152-V154 VanDerWaalsContact C-N 3.26Å; D152-V154 PolarHBondContact O-N 2.95Å; D152-V154 WeakPolarHBondContact OD1-CA 3.35Å; D152-V154 WeakPolarHBondContact OD1-CB 3.34Å; D152-V154 PolarHBondContact OD1-N 3.28Å; V154-D209 HydrophobicContact CG2-CB 3.66Å
155T90.9Very high94Very high94 Ų9448.9 Ų48.958%0.57730%0.295SS*.THydrogen-bonded Turntrans-92-19.8-177.162.90000112.9D152 S157D152-T155 VanDerWaalsContact CB-OG1 3.3Å; D152-T155 WeakPolarHBondContact CB-OG1 3.35Å; D152-T155 PolarHBondContact OD1-N 3.05Å; D152-T155 PolarHBondContact OD1-OG1 3.33Å; T155-S157 PolarHBondContact O-N 3.36Å; T155-S157 PolarHBondContact OG1-N 3.35Å; T155-S157 PolarHBondContact OG1-OG 3.33Å
156G91Very high93.9Very high26 Ų2652.3 Ų52.327%0.26832%0.319SS..  trans70.414.1-172.800000113.8D152D152-G156 WeakPolarHBondContact O-CA 3.4Å; D152-G156 PolarHBondContact O-N 3.32Å
157S93.9Very high93.9Very high68 Ų6854.6 Ų54.648%0.47634%0.335SS..  trans-83.9147.5179.466.30000111.6D152 T155D152-S157 PolarHBondContact N-O 2.91Å; T155-S157 PolarHBondContact O-N 3.36Å; T155-S157 PolarHBondContact OG1-N 3.35Å; T155-S157 PolarHBondContact OG1-OG 3.33Å
158F96.1Very high93.9Very high42 Ų4253.3 Ų53.318%0.18433%0.329CS..EExtended strand (participates in β ladder)trans-124.9138.2176.5177.7-99.6000110.5L148 V150 Y151 F165 V213L148-F158 HydrophobicContact CB-CZ 4.3Å; V150-F158 WeakPolarHBondContact O-CA 3.23Å; V150-F158 WeakPolarHBondContact O-CD2 3.39Å; Y151-F158 HydrophobicContact CD2-CB 4.37Å; F158-F165 HydrophobicContact CB-CD1 3.72Å; F158-F165 HydrophobicContact CB-CE1 3.55Å; F158-F165 HydrophobicContact CB-CG 4.33Å; F158-F165 HydrophobicContact CB-CZ 4.04Å; F158-F165 HydrophobicContact CD1-CB 3.75Å; F158-F165 AromaticContact CD1-CD1 3.6Å; F158-F165 HydrophobicContact CD1-CD1 3.6Å; F158-F165 HydrophobicContact CD1-CD2 4.44Å; F158-F165 HydrophobicContact CD1-CE1 4.32Å; F158-F165 AromaticContact CD1-CG 3.65Å; F158-F165 HydrophobicContact CD1-CG 3.65Å; F158-F165 HydrophobicContact CD2-CB 4.34Å; F158-F165 AromaticContact CD2-CD1 3.97Å; F158-F165 HydrophobicContact CD2-CD1 3.97Å; F158-F165 AromaticContact CD2-CD2 3.65Å; F158-F165 HydrophobicContact CD2-CD2 3.65Å; F158-F165 HydrophobicContact CD2-CE1 4.17Å; F158-F165 AromaticContact CD2-CE2 3.86Å; F158-F165 HydrophobicContact CD2-CE2 3.86Å; F158-F165 AromaticContact CD2-CG 3.7Å; F158-F165 HydrophobicContact CD2-CG 3.7Å; F158-F165 HydrophobicContact CD2-CZ 4.11Å; F158-F165 HydrophobicContact CE1-CB 3.43Å; F158-F165 VanDerWaalsContact CE1-CB 3.43Å; F158-F165 HydrophobicContact CE1-CD1 4.2Å; F158-F165 HydrophobicContact CE1-CD2 4.5Å; F158-F165 AromaticContact CE1-CG 3.8Å; F158-F165 HydrophobicContact CE1-CG 3.8Å; F158-F165 HydrophobicContact CE2-CB 4.07Å; F158-F165 AromaticContact CE2-CD2 3.72Å; F158-F165 HydrophobicContact CE2-CD2 3.72Å; F158-F165 HydrophobicContact CE2-CE2 4.3Å; F158-F165 AromaticContact CE2-CG 3.84Å; F158-F165 HydrophobicContact CE2-CG 3.84Å; F158-F165 HydrophobicContact CG-CB 4.2Å; F158-F165 AromaticContact CG-CD1 3.46Å; F158-F165 HydrophobicContact CG-CD1 3.46Å; F158-F165 VanDerWaalsContact CG-CD1 3.46Å; F158-F165 HydrophobicContact CG-CD2 4.03Å; F158-F165 AromaticContact CG-CE1 3.75Å; F158-F165 HydrophobicContact CG-CE1 3.75Å; F158-F165 HydrophobicContact CG-CE2 4.28Å; F158-F165 AromaticContact CG-CG 3.6Å; F158-F165 HydrophobicContact CG-CG 3.6Å; F158-F165 HydrophobicContact CG-CZ 4.15Å; F158-F165 HydrophobicContact CZ-CB 3.6Å; F158-F165 HydrophobicContact CZ-CD2 4.16Å; F158-F165 AromaticContact CZ-CG 3.89Å; F158-F165 HydrophobicContact CZ-CG 3.89Å; F158-V213 HydrophobicContact CD2-CG2 4.45Å; F158-V213 HydrophobicContact CE2-CB 4.1Å; F158-V213 HydrophobicContact CE2-CG2 4.09Å
159S94.2Very high93.9Very high75 Ų7556.1 Ų56.152%0.52434%0.342SS..EExtended strand (participates in β ladder)trans-125.8122.5173.362.30000110.7G149 V150G149-S159 CarbonylContact C-O 3.58Å; G149-S159 WeakPolarHBondContact CA-O 3.33Å; V150-S159 PolarHBondContact N-O 2.84Å; V150-S159 PolarHBondContact O-N 2.95Å
160G92.8Very high93.9Very high47 Ų4763.1 Ų63.149%0.48538%0.375SS..EExtended strand (participates in β ladder)trans142.5-143.2-179.600000111.9L148 A162L148-G160 CarbonylContact O-C 3.56Å; L148-G160 WeakPolarHBondContact O-CA 3.38Å; G160-A162 VanDerWaalsContact C-N 3.28Å; G160-A162 PolarHBondContact O-N 3.25Å
161E92.2Very high93.9Very high77 Ų7764.3 Ų64.336%0.3638%0.379SS..  trans-70.373.7179.1-68.3-66147.500112.2L148 D163 Q164 F165L148-E161 HydrophobicContact CB-CB 4.42Å; L148-E161 HydrophobicContact CD2-CB 4.18Å; L148-E161 PolarHBondContact O-N 2.94Å; E161-D163 VanDerWaalsContact C-N 3.28Å; E161-D163 PolarHBondContact O-N 2.85Å; E161-Q164 HydrophobicContact CB-CB 4.44Å; E161-Q164 PolarHBondContact O-N 3.3Å; E161-F165 PolarHBondContact O-N 2.83Å
162A91.7Very high93.8Very high57 Ų5764 Ų6447%0.47138%0.378SS..Hα-helixtrans-57.2-37.1-171.800000113.6G160 Q164 F165 S166G160-A162 VanDerWaalsContact C-N 3.28Å; G160-A162 PolarHBondContact O-N 3.25Å; A162-Q164 PolarHBondContact O-N 3.15Å; A162-F165 PolarHBondContact O-N 3.38Å; A162-S166 WeakPolarHBondContact O-CB 3.24Å; A162-S166 PolarHBondContact O-N 3.22Å
163D93.1Very high93.7Very high135 Ų13565.2 Ų65.272%0.72238%0.381SS*.Hα-helixtrans-62.3-44.9179.7-69.8-14.8000111.4E161 S166E161-D163 VanDerWaalsContact C-N 3.28Å; E161-D163 PolarHBondContact O-N 2.85Å; D163-S166 PolarHBondContact O-OG 3.29Å
164Q93.2Very high93.8Very high85 Ų8568.8 Ų68.840%0.39740%0.398SS..Hα-helixtrans-71.1-41.9177.1-70-175.574.900111.4L148 E161 A162 S166 T167L148-Q164 HydrophobicContact CD1-CB 4.18Å; L148-Q164 HydrophobicContact CD2-CB 3.88Å; L148-Q164 HydrophobicContact CD2-CG 4.4Å; E161-Q164 HydrophobicContact CB-CB 4.44Å; E161-Q164 PolarHBondContact O-N 3.3Å; A162-Q164 PolarHBondContact O-N 3.15Å; Q164-S166 VanDerWaalsContact C-N 3.3Å; Q164-S166 PolarHBondContact O-N 3.04Å; Q164-T167 WeakPolarHBondContact O-CB 3.4Å; Q164-T167 PolarHBondContact O-N 2.99Å
165F94.9Very high94Very high7 Ų766 Ų663%0.03138%0.382CS..Hα-helixtrans-59.2-39.5178173.8-106.2000112.6Y151 F158 E161 A162 T167 Y168 E169 I172 V213Y151-F165 HydrophobicContact CD2-CE1 4.41Å; Y151-F165 HydrophobicContact CD2-CE2 4.14Å; Y151-F165 AromaticContact CD2-CZ 3.56Å; Y151-F165 HydrophobicContact CD2-CZ 3.56Å; Y151-F165 AromaticContact CE2-CZ 3.98Å; Y151-F165 HydrophobicContact CE2-CZ 3.98Å; Y151-F165 HydrophobicContact CG-CZ 4.42Å; F158-F165 HydrophobicContact CB-CD1 3.72Å; F158-F165 HydrophobicContact CB-CE1 3.55Å; F158-F165 HydrophobicContact CB-CG 4.33Å; F158-F165 HydrophobicContact CB-CZ 4.04Å; F158-F165 HydrophobicContact CD1-CB 3.75Å; F158-F165 AromaticContact CD1-CD1 3.6Å; F158-F165 HydrophobicContact CD1-CD1 3.6Å; F158-F165 HydrophobicContact CD1-CD2 4.44Å; F158-F165 HydrophobicContact CD1-CE1 4.32Å; F158-F165 AromaticContact CD1-CG 3.65Å; F158-F165 HydrophobicContact CD1-CG 3.65Å; F158-F165 HydrophobicContact CD2-CB 4.34Å; F158-F165 AromaticContact CD2-CD1 3.97Å; F158-F165 HydrophobicContact CD2-CD1 3.97Å; F158-F165 AromaticContact CD2-CD2 3.65Å; F158-F165 HydrophobicContact CD2-CD2 3.65Å; F158-F165 HydrophobicContact CD2-CE1 4.17Å; F158-F165 AromaticContact CD2-CE2 3.86Å; F158-F165 HydrophobicContact CD2-CE2 3.86Å; F158-F165 AromaticContact CD2-CG 3.7Å; F158-F165 HydrophobicContact CD2-CG 3.7Å; F158-F165 HydrophobicContact CD2-CZ 4.11Å; F158-F165 HydrophobicContact CE1-CB 3.43Å; F158-F165 VanDerWaalsContact CE1-CB 3.43Å; F158-F165 HydrophobicContact CE1-CD1 4.2Å; F158-F165 HydrophobicContact CE1-CD2 4.5Å; F158-F165 AromaticContact CE1-CG 3.8Å; F158-F165 HydrophobicContact CE1-CG 3.8Å; F158-F165 HydrophobicContact CE2-CB 4.07Å; F158-F165 AromaticContact CE2-CD2 3.72Å; F158-F165 HydrophobicContact CE2-CD2 3.72Å; F158-F165 HydrophobicContact CE2-CE2 4.3Å; F158-F165 AromaticContact CE2-CG 3.84Å; F158-F165 HydrophobicContact CE2-CG 3.84Å; F158-F165 HydrophobicContact CG-CB 4.2Å; F158-F165 AromaticContact CG-CD1 3.46Å; F158-F165 HydrophobicContact CG-CD1 3.46Å; F158-F165 VanDerWaalsContact CG-CD1 3.46Å; F158-F165 HydrophobicContact CG-CD2 4.03Å; F158-F165 AromaticContact CG-CE1 3.75Å; F158-F165 HydrophobicContact CG-CE1 3.75Å; F158-F165 HydrophobicContact CG-CE2 4.28Å; F158-F165 AromaticContact CG-CG 3.6Å; F158-F165 HydrophobicContact CG-CG 3.6Å; F158-F165 HydrophobicContact CG-CZ 4.15Å; F158-F165 HydrophobicContact CZ-CB 3.6Å; F158-F165 HydrophobicContact CZ-CD2 4.16Å; F158-F165 AromaticContact CZ-CG 3.89Å; F158-F165 HydrophobicContact CZ-CG 3.89Å; E161-F165 PolarHBondContact O-N 2.83Å; A162-F165 PolarHBondContact O-N 3.38Å; F165-T167 PolarHBondContact O-N 3.12Å; F165-Y168 CarbonylContact O-C 3.53Å; F165-Y168 PolarHBondContact O-N 3.47Å; F165-E169 HydrophobicContact CD1-CB 4.18Å; F165-E169 HydrophobicContact CD1-CG 4.41Å; F165-E169 HydrophobicContact CE1-CB 3.71Å; F165-E169 HydrophobicContact CE1-CG 3.54Å; F165-E169 HydrophobicContact CE2-CB 4.48Å; F165-E169 HydrophobicContact CZ-CB 3.89Å; F165-E169 HydrophobicContact CZ-CG 3.75Å; F165-E169 PolarHBondContact O-N 3.24Å; F165-I172 HydrophobicContact CD2-CD1 4.36Å; F165-I172 HydrophobicContact CE2-CD1 3.97Å; F165-V213 HydrophobicContact CD2-CG1 4.14Å; F165-V213 HydrophobicContact CE2-CG2 4.46Å
166S95.5Very high94.1Very high73 Ų7361.6 Ų61.651%0.5136%0.355SS..Hα-helixtrans-56.1-25.7179.375.30000113.4A162 D163 Q164 Y168A162-S166 WeakPolarHBondContact O-CB 3.24Å; A162-S166 PolarHBondContact O-N 3.22Å; D163-S166 PolarHBondContact O-OG 3.29Å; Q164-S166 VanDerWaalsContact C-N 3.3Å; Q164-S166 PolarHBondContact O-N 3.04Å; S166-Y168 VanDerWaalsContact C-N 3.29Å; S166-Y168 PolarHBondContact O-N 3.38Å
167T95.5Very high94Very high86 Ų8664 Ų6453%0.52837%0.367SS..THydrogen-bonded Turntrans-71.5-24.4176.8-550000112.6Q164 F165Q164-T167 WeakPolarHBondContact O-CB 3.4Å; Q164-T167 PolarHBondContact O-N 2.99Å; F165-T167 PolarHBondContact O-N 3.12Å
168Y95.7Very high93.7Very high38 Ų3862.8 Ų62.815%0.14936%0.357CS..THydrogen-bonded Turntrans-117-10.4-174-49-43.7000113.4L148 F165 S166 E170 E171 I172 R199 W200L148-Y168 HydrophobicContact CD1-CD2 4.19Å; L148-Y168 HydrophobicContact CD1-CE2 4.1Å; F165-Y168 CarbonylContact O-C 3.53Å; F165-Y168 PolarHBondContact O-N 3.47Å; S166-Y168 VanDerWaalsContact C-N 3.29Å; S166-Y168 PolarHBondContact O-N 3.38Å; Y168-E170 PolarHBondContact O-N 2.89Å; Y168-E171 PolarHBondContact O-N 2.91Å; Y168-E171 VanDerWaalsContact O-N 3.1Å; Y168-I172 WeakPolarHBondContact O-CG1 3.41Å; Y168-I172 PolarHBondContact O-N 3.28Å; Y168-R199 HydrophobicContact CE1-CB 4.29Å; Y168-R199 PolarHBondContact OH-O 3.39Å; Y168-W200 HydrophobicContact CD1-CB 4.47Å; Y168-W200 AromaticContact CD1-CD1 3.56Å; Y168-W200 HydrophobicContact CD1-CG 4.36Å; Y168-W200 HydrophobicContact CD2-CB 3.87Å; Y168-W200 HydrophobicContact CD2-CG 4.43Å; Y168-W200 HydrophobicContact CE2-CB 4.28Å; Y168-W200 HydrophobicContact CG-CB 3.97Å; Y168-W200 AromaticContact CG-CD1 3.58Å; Y168-W200 HydrophobicContact CG-CG 4.04Å
169E95.7Very high93.3Very high63 Ų6368.7 Ų68.729%0.29439%0.391SS..Hα-helixtrans-52.1-48.4-171.5178.9176.7179.300113F165 I172 K173F165-E169 HydrophobicContact CD1-CB 4.18Å; F165-E169 HydrophobicContact CD1-CG 4.41Å; F165-E169 HydrophobicContact CE1-CB 3.71Å; F165-E169 HydrophobicContact CE1-CG 3.54Å; F165-E169 HydrophobicContact CE2-CB 4.48Å; F165-E169 HydrophobicContact CZ-CB 3.89Å; F165-E169 HydrophobicContact CZ-CG 3.75Å; F165-E169 PolarHBondContact O-N 3.24Å; E169-I172 PolarHBondContact O-N 2.92Å; E169-K173 HydrophobicContact CG-CD 3.99Å; E169-K173 WeakPolarHBondContact O-CB 3.37Å; E169-K173 VanDerWaalsContact O-CG 3.32Å; E169-K173 WeakPolarHBondContact O-CG 3.2Å; E169-K173 PolarHBondContact O-N 3.06Å; E169-K173 WeakPolarHBondContact OE1-CE 3.42Å; E169-K173 IonicContact OE1-NZ 2.62Å; E169-K173 PolarHBondContact OE1-NZ 3.46Å
170E94.5Very high93.1Very high148 Ų14867.8 Ų67.869%0.69238%0.38SS*.Hα-helixtrans-64.4-41.9-179.6-171.6-179.3175.900112Y168 K173 N174Y168-E170 PolarHBondContact O-N 2.89Å; E170-K173 PolarHBondContact O-N 2.96Å; E170-N174 WeakPolarHBondContact O-CB 3.48Å; E170-N174 PolarHBondContact O-N 2.94Å; E170-N174 PolarHBondContact O-ND2 3.02Å; E170-N174 VanDerWaalsContact O-ND2 3.13Å
171E96.1Very high93.1Very high56 Ų5668.5 Ų68.526%0.26238%0.375SS..Hα-helixtrans-64.2-44.3178-66.1178.5-143.200111.3Y168 N174 V175 R199 W200Y168-E171 PolarHBondContact O-N 2.91Å; Y168-E171 VanDerWaalsContact O-N 3.1Å; E171-N174 PolarHBondContact O-N 3.42Å; E171-V175 WeakPolarHBondContact O-CG2 3.26Å; E171-V175 PolarHBondContact O-N 3.36Å; E171-R199 IonicContact OE1-CZ 2.82Å; E171-R199 IonicContact OE1-NE 2.92Å; E171-R199 PolarHBondContact OE1-NE 3.16Å; E171-R199 IonicContact OE1-NH2 3.66Å; E171-R199 PolarHBondContact OE1-NH2 2.95Å; E171-R199 IonicContact OE2-NE 3.89Å; E171-R199 PolarHBondContact OE2-NE 2.76Å; E171-W200 HydrophobicContact CB-CZ2 3.94Å; E171-W200 PolarHBondContact OE2-NE1 2.97Å
172I96.1Very high92.9Very high0 Ų069.5 Ų69.50%039%0.388CS..Hα-helixtrans-65.6-43.9178.5-68.4169.6000110.2F165 Y168 E169 N174 V175 L176 W200 I202 V213F165-I172 HydrophobicContact CD2-CD1 4.36Å; F165-I172 HydrophobicContact CE2-CD1 3.97Å; Y168-I172 WeakPolarHBondContact O-CG1 3.41Å; Y168-I172 PolarHBondContact O-N 3.28Å; E169-I172 PolarHBondContact O-N 2.92Å; I172-N174 VanDerWaalsContact C-N 3.34Å; I172-N174 PolarHBondContact O-N 2.88Å; I172-V175 PolarHBondContact O-N 3.09Å; I172-V175 VanDerWaalsContact O-N 3.17Å; I172-L176 HydrophobicContact CG2-CD1 3.86Å; I172-L176 HydrophobicContact CG2-CG 4.45Å; I172-L176 WeakPolarHBondContact O-CG 3.22Å; I172-L176 PolarHBondContact O-N 3.35Å; I172-W200 HydrophobicContact CD1-CD2 4.35Å; I172-W200 HydrophobicContact CD1-CE3 4.47Å; I172-W200 HydrophobicContact CG1-CD2 3.93Å; I172-W200 HydrophobicContact CG1-CE3 4Å; I172-W200 HydrophobicContact CG1-CG 4.5Å; I172-W200 HydrophobicContact CG1-CH2 4.3Å; I172-W200 HydrophobicContact CG1-CZ2 4.24Å; I172-W200 HydrophobicContact CG1-CZ3 4.19Å; I172-I202 HydrophobicContact CD1-CG2 3.97Å; I172-I202 HydrophobicContact CG1-CG2 4.18Å; I172-I202 HydrophobicContact CG2-CD1 4.35Å; I172-I202 HydrophobicContact CG2-CG2 4.35Å; I172-V213 HydrophobicContact CD1-CG1 3.77Å
173K94.5Very high92.8Very high70 Ų7073 Ų7330%0.30440%0.395SS..Hα-helixtrans-59.8-43.1175.3-80.8178174.1175.90112.1Y151 E169 E170 V175 L176 S177Y151-K173 WeakPolarHBondContact OH-CG 3.39Å; E169-K173 HydrophobicContact CG-CD 3.99Å; E169-K173 WeakPolarHBondContact O-CB 3.37Å; E169-K173 VanDerWaalsContact O-CG 3.32Å; E169-K173 WeakPolarHBondContact O-CG 3.2Å; E169-K173 PolarHBondContact O-N 3.06Å; E169-K173 WeakPolarHBondContact OE1-CE 3.42Å; E169-K173 IonicContact OE1-NZ 2.62Å; E169-K173 PolarHBondContact OE1-NZ 3.46Å; E170-K173 PolarHBondContact O-N 2.96Å; K173-V175 PolarHBondContact O-N 3.42Å; K173-L176 PolarHBondContact O-N 3.1Å; K173-S177 WeakPolarHBondContact O-CA 3.39Å; K173-S177 WeakPolarHBondContact O-CB 3.28Å; K173-S177 PolarHBondContact O-N 2.95Å
174N92.7Very high92.6Very high91 Ų9171 Ų7149%0.48738%0.381SS..Hα-helixtrans-64-29.6178.2-72.8-27.5000112.8E170 E171 I172 P178E170-N174 WeakPolarHBondContact O-CB 3.48Å; E170-N174 PolarHBondContact O-N 2.94Å; E170-N174 PolarHBondContact O-ND2 3.02Å; E170-N174 VanDerWaalsContact O-ND2 3.13Å; E171-N174 PolarHBondContact O-N 3.42Å; I172-N174 VanDerWaalsContact C-N 3.34Å; I172-N174 PolarHBondContact O-N 2.88Å; N174-P178 WeakPolarHBondContact O-CA 3.37Å
175V94Very high92.3Very high49 Ų4970.2 Ų70.230%0.29739%0.385SS..Hα-helixtrans-77.1-38.3175.8167.30000112.2E171 I172 K173 P191 V194 W200E171-V175 WeakPolarHBondContact O-CG2 3.26Å; E171-V175 PolarHBondContact O-N 3.36Å; I172-V175 PolarHBondContact O-N 3.09Å; I172-V175 VanDerWaalsContact O-N 3.17Å; K173-V175 PolarHBondContact O-N 3.42Å; V175-P191 HydrophobicContact CG1-CG 4.27Å; V175-V194 HydrophobicContact CG1-CB 4.38Å; V175-V194 HydrophobicContact CG1-CG1 4.24Å; V175-V194 HydrophobicContact CG1-CG2 3.82Å; V175-W200 HydrophobicContact CG2-CH2 4.09Å
176L93Very high92Very high1 Ų177.7 Ų77.71%0.00542%0.422CS..Hα-helixtrans-90.6-14.4-177.3-62.5179.1000113.7Y151 I172 K173 P178 W188 F190 P191 I202 Y211Y151-L176 HydrophobicContact CD1-CD1 3.67Å; Y151-L176 HydrophobicContact CE1-CD1 3.57Å; I172-L176 HydrophobicContact CG2-CD1 3.86Å; I172-L176 HydrophobicContact CG2-CG 4.45Å; I172-L176 WeakPolarHBondContact O-CG 3.22Å; I172-L176 PolarHBondContact O-N 3.35Å; K173-L176 PolarHBondContact O-N 3.1Å; L176-P178 VanDerWaalsContact C-CD 3.5Å; L176-W188 VanDerWaalsContact O-CH2 3.26Å; L176-W188 WeakPolarHBondContact O-CH2 3.2Å; L176-F190 HydrophobicContact CD2-CD1 4.3Å; L176-P191 HydrophobicContact CD2-CG 4.06Å; L176-I202 HydrophobicContact CD1-CD1 4.29Å; L176-I202 HydrophobicContact CD2-CD1 4.06Å; L176-I202 HydrophobicContact CG-CD1 4.24Å; L176-Y211 HydrophobicContact CD1-CD2 3.96Å; L176-Y211 HydrophobicContact CD1-CE2 4.13Å; L176-Y211 HydrophobicContact CD1-CG 4.41Å; L176-Y211 HydrophobicContact CD2-CD2 4.31Å; L176-Y211 HydrophobicContact CD2-CE1 4.17Å; L176-Y211 HydrophobicContact CD2-CE2 3.71Å
177S88.5Confident91.7Very high77 Ų7780 Ų8054%0.53843%0.433SS..SBendtrans-138.861.1175.8-60.20000110.3K173K173-S177 WeakPolarHBondContact O-CA 3.39Å; K173-S177 WeakPolarHBondContact O-CB 3.28Å; K173-S177 PolarHBondContact O-N 2.95Å
178P88.2Confident91.4Very high41 Ų4180.1 Ų80.127%0.26642%0.424SS..  trans-68.1150.6-179.327.3-32.3000111.5N174 L176 L180 W188N174-P178 WeakPolarHBondContact O-CA 3.37Å; L176-P178 VanDerWaalsContact C-CD 3.5Å; P178-L180 HydrophobicContact CB-CD2 3.97Å; P178-L180 HydrophobicContact CB-CG 4.12Å; P178-L180 HydrophobicContact CG-CD1 3.93Å; P178-L180 HydrophobicContact CG-CD2 3.87Å; P178-L180 HydrophobicContact CG-CG 3.79Å; P178-L180 PolarHBondContact O-N 2.86Å; P178-L180 VanDerWaalsContact O-N 3.13Å; P178-W188 HydrophobicContact CG-CZ2 3.97Å
179N88.1Confident91.1Very high167 Ų16782.7 Ų82.789%0.89345%0.447SS*.  trans-75.4100.1168.4-70.5-47.9000108.9
180L89.9Confident90.8Very high56 Ų5683.4 Ų83.429%0.29345%0.45SS..  trans-106149.3-177.7-60.4174.8000111.3P178 E184 W188P178-L180 HydrophobicContact CB-CD2 3.97Å; P178-L180 HydrophobicContact CB-CG 4.12Å; P178-L180 HydrophobicContact CG-CD1 3.93Å; P178-L180 HydrophobicContact CG-CD2 3.87Å; P178-L180 HydrophobicContact CG-CG 3.79Å; P178-L180 PolarHBondContact O-N 2.86Å; P178-L180 VanDerWaalsContact O-N 3.13Å; L180-E184 HydrophobicContact CB-CB 3.95Å; L180-E184 HydrophobicContact CD2-CB 4.09Å; L180-E184 HydrophobicContact CG-CB 4.45Å; L180-W188 HydrophobicContact CD1-CB 3.48Å; L180-W188 VanDerWaalsContact CD1-CB 3.48Å; L180-W188 HydrophobicContact CD1-CD2 3.87Å; L180-W188 HydrophobicContact CD1-CG 3.35Å
181T91.2Very high90.8Very high61 Ų6178 Ų7837%0.37443%0.427SS..  trans-67.1160165.160.70000110.7E183 E184 S185T181-E183 PolarHBondContact O-N 2.96Å; T181-E184 WeakPolarHBondContact CG2-OE2 3.22Å; T181-E184 PolarHBondContact N-OE2 2.86Å; T181-E184 PolarHBondContact O-N 3.14Å; T181-E184 WeakPolarHBondContact OG1-CB 3.39Å; T181-E184 VanDerWaalsContact OG1-CD 3.23Å; T181-E184 WeakPolarHBondContact OG1-CG 3.12Å; T181-E184 PolarHBondContact OG1-N 2.81Å; T181-E184 PolarHBondContact OG1-OE2 3.21Å; T181-S185 WeakPolarHBondContact O-CB 3.32Å; T181-S185 PolarHBondContact O-N 2.82Å; T181-S185 PolarHBondContact O-OG 3.17Å
182P88.9Confident90.6Very high98 Ų9882.3 Ų82.364%0.63645%0.445SS*.Hα-helixtrans-54.2-36.8173.6-2736.3000113S185 M186P182-S185 PolarHBondContact O-N 2.92Å; P182-M186 PolarHBondContact O-N 2.95Å
183E89.7Confident90.6Very high130 Ų13085.4 Ų85.461%0.60746%0.462SS*.Hα-helixtrans-67.8-45.3178.1-63.876.2-166.100112.1T181 S185 M186T181-E183 PolarHBondContact O-N 2.96Å; E183-S185 VanDerWaalsContact C-N 3.32Å; E183-M186 PolarHBondContact O-N 2.92Å
184E89Confident90.7Very high94 Ų9483.6 Ų83.644%0.43946%0.457SS..Hα-helixtrans-65.6-36.6176-72.7164.815500111.7L180 T181 M186 T187 W188L180-E184 HydrophobicContact CB-CB 3.95Å; L180-E184 HydrophobicContact CD2-CB 4.09Å; L180-E184 HydrophobicContact CG-CB 4.45Å; T181-E184 WeakPolarHBondContact CG2-OE2 3.22Å; T181-E184 PolarHBondContact N-OE2 2.86Å; T181-E184 PolarHBondContact O-N 3.14Å; T181-E184 WeakPolarHBondContact OG1-CB 3.39Å; T181-E184 VanDerWaalsContact OG1-CD 3.23Å; T181-E184 WeakPolarHBondContact OG1-CG 3.12Å; T181-E184 PolarHBondContact OG1-N 2.81Å; T181-E184 PolarHBondContact OG1-OE2 3.21Å; E184-M186 PolarHBondContact O-N 2.71Å; E184-M186 VanDerWaalsContact O-N 3.17Å; E184-T187 PolarHBondContact O-N 3.47Å; E184-T187 VanDerWaalsContact O-N 3.11Å; E184-T187 PolarHBondContact O-OG1 2.82Å; E184-W188 WeakPolarHBondContact O-CB 3.36Å; E184-W188 PolarHBondContact O-N 3.22Å
185S87.7Confident90.9Very high69 Ų6981.7 Ų81.748%0.48345%0.446SS..Hα-helixtrans-61.2-25.2178.7-59.10000112.8T181 P182 E183T181-S185 WeakPolarHBondContact O-CB 3.32Å; T181-S185 PolarHBondContact O-N 2.82Å; T181-S185 PolarHBondContact O-OG 3.17Å; P182-S185 PolarHBondContact O-N 2.92Å; E183-S185 VanDerWaalsContact C-N 3.32Å
186M86.9Confident91.1Very high163 Ų16384.2 Ų84.280%0.80345%0.453SS*.THydrogen-bonded Turntrans-76.4-21.2178.3-70.4-159.3-71.200113.9P182 E183 E184P182-M186 PolarHBondContact O-N 2.95Å; E183-M186 PolarHBondContact O-N 2.92Å; E184-M186 PolarHBondContact O-N 2.71Å; E184-M186 VanDerWaalsContact O-N 3.17Å
187T89.5Confident91.2Very high121 Ų12189 Ų8974%0.74248%0.476SS*.THydrogen-bonded Turntrans-115.2-11.7-177.861.10000113.3E184E184-T187 PolarHBondContact O-N 3.47Å; E184-T187 VanDerWaalsContact O-N 3.11Å; E184-T187 PolarHBondContact O-OG1 2.82Å
188W89.4Confident91.5Very high90 Ų9087.8 Ų87.834%0.34148%0.475SS..  trans-65.7138.3179.4-172.683.9000111.9L176 P178 L180 E184 F190L176-W188 VanDerWaalsContact O-CH2 3.26Å; L176-W188 WeakPolarHBondContact O-CH2 3.2Å; P178-W188 HydrophobicContact CG-CZ2 3.97Å; L180-W188 HydrophobicContact CD1-CB 3.48Å; L180-W188 VanDerWaalsContact CD1-CB 3.48Å; L180-W188 HydrophobicContact CD1-CD2 3.87Å; L180-W188 HydrophobicContact CD1-CG 3.35Å; E184-W188 WeakPolarHBondContact O-CB 3.36Å; E184-W188 PolarHBondContact O-N 3.22Å; W188-F190 AromaticContact CH2-CD1 3.62Å; W188-F190 HydrophobicContact CH2-CD1 3.62Å; W188-F190 HydrophobicContact CH2-CD2 4.3Å; W188-F190 AromaticContact CH2-CE1 3.54Å; W188-F190 HydrophobicContact CH2-CE1 3.54Å; W188-F190 HydrophobicContact CH2-CE2 4.24Å; W188-F190 HydrophobicContact CH2-CG 4.01Å; W188-F190 AromaticContact CH2-CZ 3.87Å; W188-F190 HydrophobicContact CH2-CZ 3.87Å; W188-F190 HydrophobicContact CZ2-CD1 4.48Å; W188-F190 HydrophobicContact CZ3-CD1 4.19Å; W188-F190 HydrophobicContact CZ3-CD2 4.05Å; W188-F190 HydrophobicContact CZ3-CE1 4.03Å; W188-F190 AromaticContact CZ3-CE2 3.88Å; W188-F190 HydrophobicContact CZ3-CE2 3.88Å; W188-F190 HydrophobicContact CZ3-CG 4.2Å; W188-F190 AromaticContact CZ3-CZ 3.87Å; W188-F190 HydrophobicContact CZ3-CZ 3.87Å
189S88.9Confident91.9Very high91 Ų9190.3 Ų90.364%0.63648%0.479SS*.  trans-138.3150.9174.855.60000109.4
190F90.6Very high92.4Very high79 Ų7982.6 Ų82.635%0.34644%0.438SS..  trans-57.5126.3176.6-79.1-78.4000110.4L176 W188 M204 Y211L176-F190 HydrophobicContact CD2-CD1 4.3Å; W188-F190 AromaticContact CH2-CD1 3.62Å; W188-F190 HydrophobicContact CH2-CD1 3.62Å; W188-F190 HydrophobicContact CH2-CD2 4.3Å; W188-F190 AromaticContact CH2-CE1 3.54Å; W188-F190 HydrophobicContact CH2-CE1 3.54Å; W188-F190 HydrophobicContact CH2-CE2 4.24Å; W188-F190 HydrophobicContact CH2-CG 4.01Å; W188-F190 AromaticContact CH2-CZ 3.87Å; W188-F190 HydrophobicContact CH2-CZ 3.87Å; W188-F190 HydrophobicContact CZ2-CD1 4.48Å; W188-F190 HydrophobicContact CZ3-CD1 4.19Å; W188-F190 HydrophobicContact CZ3-CD2 4.05Å; W188-F190 HydrophobicContact CZ3-CE1 4.03Å; W188-F190 AromaticContact CZ3-CE2 3.88Å; W188-F190 HydrophobicContact CZ3-CE2 3.88Å; W188-F190 HydrophobicContact CZ3-CG 4.2Å; W188-F190 AromaticContact CZ3-CZ 3.87Å; W188-F190 HydrophobicContact CZ3-CZ 3.87Å; F190-M204 HydrophobicContact CB-CE 4.07Å; F190-Y211 WeakPolarHBondContact CB-OH 3.4Å; F190-Y211 HydrophobicContact CD1-CE2 4.42Å
191P93.2Very high92.8Very high34 Ų3480 Ų8022%0.22142%0.424CS..  trans-67.4137.4-178.827.5-33.9000110V175 L176 N193 V194 Y211V175-P191 HydrophobicContact CG1-CG 4.27Å; L176-P191 HydrophobicContact CD2-CG 4.06Å; P191-N193 VanDerWaalsContact C-N 3.31Å; P191-N193 PolarHBondContact O-N 3.13Å; P191-V194 HydrophobicContact CB-CG2 3.59Å; P191-V194 HydrophobicContact CG-CG2 3.57Å; P191-Y211 WeakPolarHBondContact O-CE1 3.42Å; P191-Y211 PolarHBondContact O-OH 3.49Å
192K93.1Very high93.1Very high147 Ų14777.1 Ų77.164%0.63941%0.406SS*.SBendtrans-62.3-40.6177.1-72.1-173.7177.8-176.90112.4M204K192-M204 WeakPolarHBondContact O-CB 3.39Å; K192-M204 PolarHBondContact O-N 3.37Å
193N95.6Very high93.5Very high64 Ų6474.2 Ų74.234%0.34238%0.384SS..EExtended strand (participates in β ladder)trans-153.5156.217459.270000110P191 Y201 I202 E203P191-N193 VanDerWaalsContact C-N 3.31Å; P191-N193 PolarHBondContact O-N 3.13Å; N193-Y201 HydrophobicContact CB-CE2 3.94Å; N193-Y201 VanDerWaalsContact CB-OH 3.24Å; N193-Y201 WeakPolarHBondContact CB-OH 3.47Å; N193-I202 CarbonylContact C-O 3.59Å; N193-I202 WeakPolarHBondContact CA-O 3.25Å; N193-I202 VanDerWaalsContact CB-O 3.26Å; N193-I202 WeakPolarHBondContact CB-O 3.26Å; N193-E203 HydrophobicContact CB-CB 4.36Å; N193-E203 HydrophobicContact CB-CG 4.37Å
194V97.1Very high93.8Very high33 Ų3370.6 Ų70.620%0.237%0.368CS..EExtended strand (participates in β ladder)trans-142.9131176.8-1760000109.3V175 P191 W200 Y201 I202V175-V194 HydrophobicContact CG1-CB 4.38Å; V175-V194 HydrophobicContact CG1-CG1 4.24Å; V175-V194 HydrophobicContact CG1-CG2 3.82Å; P191-V194 HydrophobicContact CB-CG2 3.59Å; P191-V194 HydrophobicContact CG-CG2 3.57Å; V194-W200 HydrophobicContact CB-CH2 4.46Å; V194-W200 HydrophobicContact CB-CZ3 4.06Å; V194-W200 HydrophobicContact CG1-CH2 3.87Å; V194-W200 HydrophobicContact CG1-CZ3 3.88Å; V194-Y201 WeakPolarHBondContact O-CA 3.42Å; V194-Y201 VanDerWaalsContact O-CD2 3.31Å; V194-Y201 WeakPolarHBondContact O-CD2 3.41Å; V194-I202 HydrophobicContact CB-CD1 4.18Å; V194-I202 HydrophobicContact CB-CG1 3.87Å; V194-I202 HydrophobicContact CG2-CD1 4.31Å; V194-I202 HydrophobicContact CG2-CG1 4.33Å; V194-I202 PolarHBondContact N-O 3.07Å; V194-I202 PolarHBondContact O-N 3.38Å
195L97.6Very high94Very high50 Ų5067.4 Ų67.426%0.26235%0.354SS..EExtended strand (participates in β ladder)trans-109.2129.1175.4178.358.2000110.5E197 Y201 H216 P337L195-E197 HydrophobicContact CD2-CG 4.48Å; L195-E197 WeakPolarHBondContact CD2-OE1 3.26Å; L195-Y201 HydrophobicContact CB-CD2 3.88Å; L195-Y201 HydrophobicContact CB-CE2 4.37Å; L195-Y201 HydrophobicContact CD1-CD2 4.03Å; L195-H216 HydrophobicContact CD1-CB 4.19Å; L195-P337 HydrophobicContact CD1-CG 4.03Å; L195-P337 HydrophobicContact CD2-CG 3.83Å; L195-P337 HydrophobicContact CG-CG 4.45Å
196K97.2Very high94Very high103 Ų10368.8 Ų68.845%0.44836%0.361SS..EExtended strand (participates in β ladder)trans-114101.2163.5-170.172.5172.4-174.40108.5G198 R199 W200K196-G198 PolarHBondContact O-N 2.85Å; K196-R199 HydrophobicContact CB-CB 4.26Å; K196-R199 HydrophobicContact CG-CB 3.94Å; K196-R199 HydrophobicContact CG-CG 4.19Å; K196-R199 PolarHBondContact O-N 2.74Å; K196-W200 HydrophobicContact CB-CD2 3.7Å; K196-W200 VanDerWaalsContact CB-CE2 3.45Å; K196-W200 HydrophobicContact CB-CE3 4.19Å; K196-W200 HydrophobicContact CB-CG 4.12Å; K196-W200 HydrophobicContact CB-CH2 4.23Å; K196-W200 HydrophobicContact CB-CZ2 3.75Å; K196-W200 HydrophobicContact CB-CZ3 4.42Å; K196-W200 HydrophobicContact CG-CZ2 4.27Å; K196-W200 PolarHBondContact N-O 2.99Å; K196-W200 PolarHBondContact O-N 3.12Å; K196-W200 VanDerWaalsContact O-N 3.08Å
197E95.6Very high94Very high102 Ų10269.4 Ų69.448%0.47736%0.361SS..THydrogen-bonded Turntrans-48.9136-174.9-66.8-67.9178.800112.8L195 R199 H216L195-E197 HydrophobicContact CD2-CG 4.48Å; L195-E197 WeakPolarHBondContact CD2-OE1 3.26Å; E197-R199 PolarHBondContact O-N 2.91Å; E197-R199 VanDerWaalsContact O-N 3.09Å; E197-H216 IonicContact OE2-CE1 2.74Å; E197-H216 PolarHBondContact OE2-CE1 3Å; E197-H216 IonicContact OE2-ND1 3.86Å; E197-H216 IonicContact OE2-NE2 2.7Å
198G95Very high94Very high51 Ų5165.6 Ų65.653%0.52634%0.34SS..THydrogen-bonded Turntrans57.412.8-174.600000116.9K196 H216K196-G198 PolarHBondContact O-N 2.85Å; G198-H216 CarbonylContact C-O 3.51Å; G198-H216 WeakPolarHBondContact CA-O 3.34Å; G198-H216 PolarHBondContact N-ND1 3.08Å; G198-H216 VanDerWaalsContact N-ND1 3.11Å
199R96.9Very high94Very high94 Ų9465.6 Ų65.636%0.35535%0.347SS..THydrogen-bonded Turntrans-127.2-74.2-179.6-59.1-177.77177.7-0.7111.7Y168 E171 K196 E197 H216Y168-R199 HydrophobicContact CE1-CB 4.29Å; Y168-R199 PolarHBondContact OH-O 3.39Å; E171-R199 IonicContact OE1-CZ 2.82Å; E171-R199 IonicContact OE1-NE 2.92Å; E171-R199 PolarHBondContact OE1-NE 3.16Å; E171-R199 IonicContact OE1-NH2 3.66Å; E171-R199 PolarHBondContact OE1-NH2 2.95Å; E171-R199 IonicContact OE2-NE 3.89Å; E171-R199 PolarHBondContact OE2-NE 2.76Å; K196-R199 HydrophobicContact CB-CB 4.26Å; K196-R199 HydrophobicContact CG-CB 3.94Å; K196-R199 HydrophobicContact CG-CG 4.19Å; K196-R199 PolarHBondContact O-N 2.74Å; E197-R199 PolarHBondContact O-N 2.91Å; E197-R199 VanDerWaalsContact O-N 3.09Å; R199-H216 PolarHBondContact N-O 3.01Å; R199-H216 PolarHBondContact O-N 3.38Å
200W97.7Very high94.4Very high5 Ų562 Ų622%0.01932%0.322CS..EExtended strand (participates in β ladder)trans-151.8159.5-170.854.5-98.7000112.3Y168 E171 I172 V175 V194 K196 I202 F214Y168-W200 HydrophobicContact CD1-CB 4.47Å; Y168-W200 AromaticContact CD1-CD1 3.56Å; Y168-W200 HydrophobicContact CD1-CG 4.36Å; Y168-W200 HydrophobicContact CD2-CB 3.87Å; Y168-W200 HydrophobicContact CD2-CG 4.43Å; Y168-W200 HydrophobicContact CE2-CB 4.28Å; Y168-W200 HydrophobicContact CG-CB 3.97Å; Y168-W200 AromaticContact CG-CD1 3.58Å; Y168-W200 HydrophobicContact CG-CG 4.04Å; E171-W200 HydrophobicContact CB-CZ2 3.94Å; E171-W200 PolarHBondContact OE2-NE1 2.97Å; I172-W200 HydrophobicContact CD1-CD2 4.35Å; I172-W200 HydrophobicContact CD1-CE3 4.47Å; I172-W200 HydrophobicContact CG1-CD2 3.93Å; I172-W200 HydrophobicContact CG1-CE3 4Å; I172-W200 HydrophobicContact CG1-CG 4.5Å; I172-W200 HydrophobicContact CG1-CH2 4.3Å; I172-W200 HydrophobicContact CG1-CZ2 4.24Å; I172-W200 HydrophobicContact CG1-CZ3 4.19Å; V175-W200 HydrophobicContact CG2-CH2 4.09Å; V194-W200 HydrophobicContact CB-CH2 4.46Å; V194-W200 HydrophobicContact CB-CZ3 4.06Å; V194-W200 HydrophobicContact CG1-CH2 3.87Å; V194-W200 HydrophobicContact CG1-CZ3 3.88Å; K196-W200 HydrophobicContact CB-CD2 3.7Å; K196-W200 VanDerWaalsContact CB-CE2 3.45Å; K196-W200 HydrophobicContact CB-CE3 4.19Å; K196-W200 HydrophobicContact CB-CG 4.12Å; K196-W200 HydrophobicContact CB-CH2 4.23Å; K196-W200 HydrophobicContact CB-CZ2 3.75Å; K196-W200 HydrophobicContact CB-CZ3 4.42Å; K196-W200 HydrophobicContact CG-CZ2 4.27Å; K196-W200 PolarHBondContact N-O 2.99Å; K196-W200 PolarHBondContact O-N 3.12Å; K196-W200 VanDerWaalsContact O-N 3.08Å; W200-I202 HydrophobicContact CE3-CG2 4.08Å; W200-I202 HydrophobicContact CZ3-CD1 4.21Å; W200-I202 HydrophobicContact CZ3-CG1 4.08Å; W200-I202 HydrophobicContact CZ3-CG2 4.27Å; W200-F214 CarbonylContact C-O 3.53Å; W200-F214 VanDerWaalsContact CA-O 3.22Å; W200-F214 WeakPolarHBondContact CA-O 3.29Å; W200-F214 WeakPolarHBondContact CB-O 3.34Å
201Y98.5Very high94.7Very high2 Ų258.3 Ų58.31%0.00831%0.305CS..EExtended strand (participates in β ladder)trans-134.5141.7172.4179-105.8000108.7P142 T145 N193 V194 L195 E203 F214 P337P142-Y201 HydrophobicContact CB-CD1 4.2Å; P142-Y201 HydrophobicContact CB-CE1 3.9Å; P142-Y201 HydrophobicContact CG-CD1 4.06Å; P142-Y201 HydrophobicContact CG-CE1 3.62Å; T145-Y201 HydrophobicContact CG2-CD1 4.12Å; T145-Y201 HydrophobicContact CG2-CG 4.22Å; N193-Y201 HydrophobicContact CB-CE2 3.94Å; N193-Y201 VanDerWaalsContact CB-OH 3.24Å; N193-Y201 WeakPolarHBondContact CB-OH 3.47Å; V194-Y201 WeakPolarHBondContact O-CA 3.42Å; V194-Y201 VanDerWaalsContact O-CD2 3.31Å; V194-Y201 WeakPolarHBondContact O-CD2 3.41Å; L195-Y201 HydrophobicContact CB-CD2 3.88Å; L195-Y201 HydrophobicContact CB-CE2 4.37Å; L195-Y201 HydrophobicContact CD1-CD2 4.03Å; Y201-E203 HydrophobicContact CE1-CB 3.81Å; Y201-F214 AromaticContact CD1-CD2 3.67Å; Y201-F214 HydrophobicContact CD1-CD2 3.67Å; Y201-F214 HydrophobicContact CD1-CE2 4.08Å; Y201-F214 HydrophobicContact CD1-CG 4.42Å; Y201-F214 HydrophobicContact CE1-CD2 4.46Å; Y201-F214 HydrophobicContact CE1-CE2 4.44Å; Y201-F214 PolarHBondContact N-O 3.44Å; Y201-F214 WeakPolarHBondContact O-CD2 3.48Å; Y201-F214 PolarHBondContact O-N 3.08Å; Y201-P337 HydrophobicContact CD1-CB 4.46Å; Y201-P337 HydrophobicContact CD2-CB 4.25Å; Y201-P337 HydrophobicContact CD2-CG 3.97Å; Y201-P337 HydrophobicContact CE1-CB 4.35Å; Y201-P337 HydrophobicContact CE2-CB 4.13Å; Y201-P337 HydrophobicContact CE2-CG 4.07Å; Y201-P337 HydrophobicContact CG-CB 4.41Å; Y201-P337 HydrophobicContact CG-CG 4.42Å
202I98.1Very high94.9Very high0 Ų059.7 Ų59.70%031%0.306CS..EExtended strand (participates in β ladder)trans-127.3143.7171.364.2179.3000110.1I172 L176 N193 V194 W200 Y211 Y212 V213I172-I202 HydrophobicContact CD1-CG2 3.97Å; I172-I202 HydrophobicContact CG1-CG2 4.18Å; I172-I202 HydrophobicContact CG2-CD1 4.35Å; I172-I202 HydrophobicContact CG2-CG2 4.35Å; L176-I202 HydrophobicContact CD1-CD1 4.29Å; L176-I202 HydrophobicContact CD2-CD1 4.06Å; L176-I202 HydrophobicContact CG-CD1 4.24Å; N193-I202 CarbonylContact C-O 3.59Å; N193-I202 WeakPolarHBondContact CA-O 3.25Å; N193-I202 VanDerWaalsContact CB-O 3.26Å; N193-I202 WeakPolarHBondContact CB-O 3.26Å; V194-I202 HydrophobicContact CB-CD1 4.18Å; V194-I202 HydrophobicContact CB-CG1 3.87Å; V194-I202 HydrophobicContact CG2-CD1 4.31Å; V194-I202 HydrophobicContact CG2-CG1 4.33Å; V194-I202 PolarHBondContact N-O 3.07Å; V194-I202 PolarHBondContact O-N 3.38Å; W200-I202 HydrophobicContact CE3-CG2 4.08Å; W200-I202 HydrophobicContact CZ3-CD1 4.21Å; W200-I202 HydrophobicContact CZ3-CG1 4.08Å; W200-I202 HydrophobicContact CZ3-CG2 4.27Å; I202-Y211 HydrophobicContact CB-CD1 4.02Å; I202-Y211 HydrophobicContact CD1-CD1 4.08Å; I202-Y211 HydrophobicContact CD1-CE1 4.32Å; I202-Y211 HydrophobicContact CG1-CD1 4.06Å; I202-Y211 HydrophobicContact CG1-CE1 4.47Å; I202-Y212 VanDerWaalsContact CA-O 3.27Å; I202-Y212 WeakPolarHBondContact CA-O 3.23Å; I202-V213 HydrophobicContact CG2-CB 4.44Å; I202-V213 HydrophobicContact CG2-CG1 4.19Å; I202-V213 HydrophobicContact CG2-CG2 4.14Å
203E96.6Very high95.1Very high36 Ų3652.7 Ų52.717%0.16828%0.276CS..EExtended strand (participates in β ladder)trans-136.6129.6176.6-173.3172.1166.500109.6N193 Y201 I205 Y211 Y212 F214 R290N193-E203 HydrophobicContact CB-CB 4.36Å; N193-E203 HydrophobicContact CB-CG 4.37Å; Y201-E203 HydrophobicContact CE1-CB 3.81Å; E203-I205 PolarHBondContact O-N 2.88Å; E203-Y211 CarbonylContact O-C 3.57Å; E203-Y211 WeakPolarHBondContact O-CA 3.43Å; E203-Y212 PolarHBondContact N-O 3.24Å; E203-Y212 PolarHBondContact O-N 3.43Å; E203-F214 HydrophobicContact CB-CE2 4.38Å; E203-R290 VanDerWaalsContact CD-NH1 3.34Å; E203-R290 IonicContact OE1-CZ 2.71Å; E203-R290 IonicContact OE1-NH1 3.3Å; E203-R290 PolarHBondContact OE1-NH1 2.79Å; E203-R290 VanDerWaalsContact OE1-NH1 3.13Å; E203-R290 IonicContact OE1-NH2 2.59Å; E203-R290 PolarHBondContact OE1-NH2 3.11Å; E203-R290 IonicContact OE2-CZ 3.18Å; E203-R290 IonicContact OE2-NH1 2.7Å; E203-R290 PolarHBondContact OE2-NH1 3.5Å; E203-R290 IonicContact OE2-NH2 2.64Å
204M95.5Very high95.2Very high54 Ų5450 Ų5027%0.26626%0.261SS..EExtended strand (participates in β ladder)trans-65.9131.2-178.6-166.5178.7-15300109.7F190 K192 S208 Y211F190-M204 HydrophobicContact CB-CE 4.07Å; K192-M204 WeakPolarHBondContact O-CB 3.39Å; K192-M204 PolarHBondContact O-N 3.37Å; M204-S208 WeakPolarHBondContact CE-O 3.46Å; M204-Y211 HydrophobicContact CB-CD1 4.11Å; M204-Y211 HydrophobicContact CB-CE1 3.66Å; M204-Y211 HydrophobicContact CG-CE1 4.23Å; M204-Y211 HydrophobicContact CG-CE2 4.31Å
205I94Very high95.3Very high28 Ų2848.8 Ų48.814%0.14426%0.255CS..PPolyproline II helixtrans-71.6128.6175.7-58.7-173.9000108.1V150 E203 H207 S208 S210 Y212V150-I205 HydrophobicContact CG1-CD1 3.72Å; V150-I205 HydrophobicContact CG2-CD1 4.14Å; E203-I205 PolarHBondContact O-N 2.88Å; I205-H207 PolarHBondContact O-N 3.24Å; I205-S208 PolarHBondContact O-N 3.42Å; I205-S210 WeakPolarHBondContact CB-O 3.31Å; I205-S210 WeakPolarHBondContact CG1-O 3.23Å; I205-S210 PolarHBondContact N-O 3.09Å; I205-Y212 HydrophobicContact CB-CE2 4.37Å; I205-Y212 HydrophobicContact CD1-CD1 3.65Å; I205-Y212 HydrophobicContact CD1-CD2 4.32Å; I205-Y212 HydrophobicContact CD1-CE1 3.46Å; I205-Y212 VanDerWaalsContact CD1-CE1 3.46Å; I205-Y212 HydrophobicContact CD1-CE2 4.14Å; I205-Y212 HydrophobicContact CD1-CG 4.09Å; I205-Y212 HydrophobicContact CG1-CD1 3.95Å; I205-Y212 HydrophobicContact CG1-CD2 3.7Å; I205-Y212 HydrophobicContact CG1-CE1 3.92Å; I205-Y212 HydrophobicContact CG1-CE2 3.65Å; I205-Y212 HydrophobicContact CG1-CG 3.86Å; I205-Y212 HydrophobicContact CG2-CE2 4.37Å
206P87.8Confident95.3Very high98 Ų9846.8 Ų46.864%0.63624%0.244SC*.THydrogen-bonded Turntrans-53.5133-180-2835.1000112.7S208P206-S208 PolarHBondContact O-N 3.22Å
207H85.1Confident95.2Very high175 Ų17546 Ų4681%0.8124%0.242SC*.THydrogen-bonded Turntrans58.627.7178.3-46.6-61.2000114.8I205 E275I205-H207 PolarHBondContact O-N 3.24Å; H207-E275 IonicContact NE2-OE2 3.87Å
208S89.8Confident95.3Very high42 Ų4246.5 Ų46.529%0.29424%0.244SC..SBendtrans-135.6160.7178.8177.10000110.6M204 I205 P206 S210M204-S208 WeakPolarHBondContact CE-O 3.46Å; I205-S208 PolarHBondContact O-N 3.42Å; P206-S208 PolarHBondContact O-N 3.22Å; S208-S210 VanDerWaalsContact C-N 3.26Å; S208-S210 WeakPolarHBondContact OG-CB 3.39Å; S208-S210 PolarHBondContact OG-N 2.57Å; S208-S210 VanDerWaalsContact OG-N 3.08Å; S208-S210 PolarHBondContact OG-OG 3Å
209D90.3Very high95.3Very high90 Ų9044.9 Ų44.948%0.48122%0.223SC..SBendtrans-94.322169.1-58-49.4000111.5S153 V154S153-D209 VanDerWaalsContact CB-O 3.3Å; S153-D209 WeakPolarHBondContact CB-O 3.38Å; S153-D209 PolarHBondContact N-O 3.42Å; S153-D209 PolarHBondContact OG-O 2.94Å; V154-D209 HydrophobicContact CG2-CB 3.66Å
210S96.5Very high95.2Very high16 Ų1641.6 Ų41.611%0.11221%0.213CC..EExtended strand (participates in β ladder)trans-111.3159178.9-52.10000111.9Y151 I205 S208Y151-S210 CarbonylContact O-C 3.51Å; Y151-S210 VanDerWaalsContact O-CA 3.23Å; Y151-S210 WeakPolarHBondContact O-CA 3.41Å; Y151-S210 WeakPolarHBondContact O-CB 3.44Å; I205-S210 WeakPolarHBondContact CB-O 3.31Å; I205-S210 WeakPolarHBondContact CG1-O 3.23Å; I205-S210 PolarHBondContact N-O 3.09Å; S208-S210 VanDerWaalsContact C-N 3.26Å; S208-S210 WeakPolarHBondContact OG-CB 3.39Å; S208-S210 PolarHBondContact OG-N 2.57Å; S208-S210 VanDerWaalsContact OG-N 3.08Å; S208-S210 PolarHBondContact OG-OG 3Å
211Y97.7Very high95.1Very high0 Ų041.9 Ų41.90%021%0.214CC..EExtended strand (participates in β ladder)trans-122.5135.6178.6-76.2-99.3000110.6V150 Y151 L176 F190 P191 I202 E203 M204V150-Y211 CarbonylContact C-O 3.47Å; V150-Y211 WeakPolarHBondContact CA-O 3.4Å; Y151-Y211 PolarHBondContact N-O 3.04Å; Y151-Y211 PolarHBondContact O-N 3.34Å; L176-Y211 HydrophobicContact CD1-CD2 3.96Å; L176-Y211 HydrophobicContact CD1-CE2 4.13Å; L176-Y211 HydrophobicContact CD1-CG 4.41Å; L176-Y211 HydrophobicContact CD2-CD2 4.31Å; L176-Y211 HydrophobicContact CD2-CE1 4.17Å; L176-Y211 HydrophobicContact CD2-CE2 3.71Å; F190-Y211 WeakPolarHBondContact CB-OH 3.4Å; F190-Y211 HydrophobicContact CD1-CE2 4.42Å; P191-Y211 WeakPolarHBondContact O-CE1 3.42Å; P191-Y211 PolarHBondContact O-OH 3.49Å; I202-Y211 HydrophobicContact CB-CD1 4.02Å; I202-Y211 HydrophobicContact CD1-CD1 4.08Å; I202-Y211 HydrophobicContact CD1-CE1 4.32Å; I202-Y211 HydrophobicContact CG1-CD1 4.06Å; I202-Y211 HydrophobicContact CG1-CE1 4.47Å; E203-Y211 CarbonylContact O-C 3.57Å; E203-Y211 WeakPolarHBondContact O-CA 3.43Å; M204-Y211 HydrophobicContact CB-CD1 4.11Å; M204-Y211 HydrophobicContact CB-CE1 3.66Å; M204-Y211 HydrophobicContact CG-CE1 4.23Å; M204-Y211 HydrophobicContact CG-CE2 4.31Å
212Y97.1Very high94.9Very high63 Ų6344.9 Ų44.925%0.24723%0.233CC..EExtended strand (participates in β ladder)trans-70132.2158.1-64.3-54.6000108.7Y147 V150 I202 E203 I205 F214Y147-Y212 AromaticContact CE2-CD1 3.77Å; Y147-Y212 HydrophobicContact CE2-CD1 3.77Å; Y147-Y212 HydrophobicContact CE2-CE1 4.49Å; Y147-Y212 HydrophobicContact CE2-CG 4.45Å; V150-Y212 HydrophobicContact CG2-CD1 4.03Å; V150-Y212 HydrophobicContact CG2-CE1 4.18Å; I202-Y212 VanDerWaalsContact CA-O 3.27Å; I202-Y212 WeakPolarHBondContact CA-O 3.23Å; E203-Y212 PolarHBondContact N-O 3.24Å; E203-Y212 PolarHBondContact O-N 3.43Å; I205-Y212 HydrophobicContact CB-CE2 4.37Å; I205-Y212 HydrophobicContact CD1-CD1 3.65Å; I205-Y212 HydrophobicContact CD1-CD2 4.32Å; I205-Y212 HydrophobicContact CD1-CE1 3.46Å; I205-Y212 VanDerWaalsContact CD1-CE1 3.46Å; I205-Y212 HydrophobicContact CD1-CE2 4.14Å; I205-Y212 HydrophobicContact CD1-CG 4.09Å; I205-Y212 HydrophobicContact CG1-CD1 3.95Å; I205-Y212 HydrophobicContact CG1-CD2 3.7Å; I205-Y212 HydrophobicContact CG1-CE1 3.92Å; I205-Y212 HydrophobicContact CG1-CE2 3.65Å; I205-Y212 HydrophobicContact CG1-CG 3.86Å; I205-Y212 HydrophobicContact CG2-CE2 4.37Å; Y212-F214 VanDerWaalsContact CB-CE2 3.4Å; Y212-F214 HydrophobicContact CG-CZ 4.3Å
213V98Very high94.8Very high0 Ų046.7 Ų46.70%025%0.246CC..EExtended strand (participates in β ladder)trans-112.6135.9178.9-173.80000109.3L148 G149 F158 F165 I172 I202L148-V213 WeakPolarHBondContact CB-O 3.34Å; L148-V213 HydrophobicContact CD1-CG1 4.35Å; L148-V213 PolarHBondContact N-O 2.59Å; G149-V213 PolarHBondContact N-O 2.83Å; G149-V213 PolarHBondContact O-N 3.01Å; F158-V213 HydrophobicContact CD2-CG2 4.45Å; F158-V213 HydrophobicContact CE2-CB 4.1Å; F158-V213 HydrophobicContact CE2-CG2 4.09Å; F165-V213 HydrophobicContact CD2-CG1 4.14Å; F165-V213 HydrophobicContact CE2-CG2 4.46Å; I172-V213 HydrophobicContact CD1-CG1 3.77Å; I202-V213 HydrophobicContact CG2-CB 4.44Å; I202-V213 HydrophobicContact CG2-CG1 4.19Å; I202-V213 HydrophobicContact CG2-CG2 4.14Å
214F97.7Very high94.7Very high7 Ų745.1 Ų45.13%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-134.3147.8-179.3-48.2-99.4000111.4L141 P142 T145 N146 Y147 W200 Y201 E203 Y212L141-F214 HydrophobicContact CD2-CE1 3.92Å; P142-F214 HydrophobicContact CG-CE2 4.42Å; P142-F214 HydrophobicContact CG-CZ 4.29Å; T145-F214 HydrophobicContact CG2-CB 4.2Å; N146-F214 CarbonylContact O-C 3.53Å; N146-F214 WeakPolarHBondContact O-CA 3.34Å; N146-F214 VanDerWaalsContact O-CB 3.29Å; N146-F214 WeakPolarHBondContact O-CB 3.28Å; Y147-F214 HydrophobicContact CD2-CD1 4.19Å; Y147-F214 AromaticContact CD2-CE1 3.76Å; Y147-F214 HydrophobicContact CD2-CE1 3.76Å; Y147-F214 HydrophobicContact CD2-CZ 4.3Å; Y147-F214 HydrophobicContact CG-CE1 4.47Å; W200-F214 CarbonylContact C-O 3.53Å; W200-F214 VanDerWaalsContact CA-O 3.22Å; W200-F214 WeakPolarHBondContact CA-O 3.29Å; W200-F214 WeakPolarHBondContact CB-O 3.34Å; Y201-F214 AromaticContact CD1-CD2 3.67Å; Y201-F214 HydrophobicContact CD1-CD2 3.67Å; Y201-F214 HydrophobicContact CD1-CE2 4.08Å; Y201-F214 HydrophobicContact CD1-CG 4.42Å; Y201-F214 HydrophobicContact CE1-CD2 4.46Å; Y201-F214 HydrophobicContact CE1-CE2 4.44Å; Y201-F214 PolarHBondContact N-O 3.44Å; Y201-F214 WeakPolarHBondContact O-CD2 3.48Å; Y201-F214 PolarHBondContact O-N 3.08Å; E203-F214 HydrophobicContact CB-CE2 4.38Å; Y212-F214 VanDerWaalsContact CB-CE2 3.4Å; Y212-F214 HydrophobicContact CG-CZ 4.3Å
215S97.4Very high94.7Very high9 Ų946 Ų466%0.06324%0.239CC..EExtended strand (participates in β ladder)trans-77149.4159.559.20000109.3T145 N146T145-S215 CarbonylContact C-O 3.03Å; T145-S215 WeakPolarHBondContact CA-O 3.13Å; N146-S215 PolarHBondContact N-O 3.13Å; N146-S215 PolarHBondContact ND2-OG 3.43Å; N146-S215 PolarHBondContact O-N 2.8Å
216H97.7Very high94.7Very high7 Ų751.6 Ų51.63%0.03226%0.262CS..EExtended strand (participates in β ladder)trans-125.8130.4-177.6177.6-94000112.2L195 E197 G198 R199L195-H216 HydrophobicContact CD1-CB 4.19Å; E197-H216 IonicContact OE2-CE1 2.74Å; E197-H216 PolarHBondContact OE2-CE1 3Å; E197-H216 IonicContact OE2-ND1 3.86Å; E197-H216 IonicContact OE2-NE2 2.7Å; G198-H216 CarbonylContact C-O 3.51Å; G198-H216 WeakPolarHBondContact CA-O 3.34Å; G198-H216 PolarHBondContact N-ND1 3.08Å; G198-H216 VanDerWaalsContact N-ND1 3.11Å; R199-H216 PolarHBondContact N-O 3.01Å; R199-H216 PolarHBondContact O-N 3.38Å
217E96.6Very high95.1Very high88 Ų8849.1 Ų49.141%0.41124%0.241SC..  trans-130.3136.6171.6-70.3166.2-121.500109.1G144 H219 K227G144-E217 VanDerWaalsContact CA-O 3.26Å; G144-E217 WeakPolarHBondContact CA-O 3.22Å; G144-E217 PolarHBondContact O-N 3.49Å; G144-E217 VanDerWaalsContact O-O 3.07Å; E217-H219 PolarHBondContact O-CD2 2.86Å; E217-H219 PolarHBondContact O-N 2.76Å; E217-H219 IonicContact OE2-CE1 2.92Å; E217-H219 IonicContact OE2-NE2 3.23Å; E217-H219 PolarHBondContact OE2-NE2 3.31Å; E217-K227 IonicContact OE1-NZ 3.87Å; E217-K227 PolarHBondContact OE1-NZ 2.98Å; E217-K227 IonicContact OE2-NZ 2.96Å; E217-K227 PolarHBondContact OE2-NZ 3.33Å
218E96.2Very high95.6Very high112 Ų11241.1 Ų41.152%0.52320%0.204SC..  trans-65.5128.1174.1-70.8-175.6171.700110.5I334E218-I334 HydrophobicContact CB-CG2 4.42Å; E218-I334 HydrophobicContact CG-CG2 4.42Å
219H95.7Very high95.8Very high17 Ų1743.7 Ų43.78%0.07921%0.208CC..  trans-136.4132.6179.1-79-59.8000111.3E217 S223 L224 K227 L335E217-H219 PolarHBondContact O-CD2 2.86Å; E217-H219 PolarHBondContact O-N 2.76Å; E217-H219 IonicContact OE2-CE1 2.92Å; E217-H219 IonicContact OE2-NE2 3.23Å; E217-H219 PolarHBondContact OE2-NE2 3.31Å; H219-S223 VanDerWaalsContact CA-OG 3.22Å; H219-S223 WeakPolarHBondContact CA-OG 3.33Å; H219-S223 WeakPolarHBondContact CB-OG 3.42Å; H219-S223 PolarHBondContact ND1-OG 2.89Å; H219-L224 HydrophobicContact CB-CB 4.01Å; H219-K227 WeakPolarHBondContact NE2-CD 3.46Å; H219-K227 PolarHBondContact NE2-NZ 2.94Å; H219-K227 VanDerWaalsContact NE2-NZ 3.12Å; H219-L335 WeakPolarHBondContact O-CB 3.41Å; H219-L335 VanDerWaalsContact O-CG 3.29Å; H219-L335 WeakPolarHBondContact O-CG 3.3Å; H219-L335 PolarHBondContact O-N 3.29Å
220T95.5Very high96Very high25 Ų2546.9 Ų46.915%0.15322%0.217CC..BIsolated β-bridgetrans-80.6164.8154.169.40000109.8T222 S223 L224 E333T220-T222 VanDerWaalsContact C-N 3.28Å; T220-T222 PolarHBondContact O-N 3.26Å; T220-S223 PolarHBondContact N-OG 2.9Å; T220-S223 PolarHBondContact O-N 2.88Å; T220-S223 VanDerWaalsContact O-N 3.07Å; T220-S223 PolarHBondContact O-OG 3.31Å; T220-L224 PolarHBondContact O-N 3.13Å; T220-E333 WeakPolarHBondContact CA-O 3.47Å
221Y95Very high95.7Very high10 Ų1050.5 Ų50.54%0.03923%0.231CC..Hα-helixtrans-48.1-49.4175.3172.9-96.1000113.1S223 L224 R225 L235 I293 E295 P297 M329Y221-S223 VanDerWaalsContact C-N 3.32Å; Y221-S223 PolarHBondContact O-N 3.22Å; Y221-L224 PolarHBondContact O-N 3.4Å; Y221-R225 WeakPolarHBondContact O-CB 3.2Å; Y221-R225 PolarHBondContact O-N 2.93Å; Y221-R225 VanDerWaalsContact OH-CD 3.23Å; Y221-R225 WeakPolarHBondContact OH-CD 3.35Å; Y221-L235 HydrophobicContact CE2-CD1 3.97Å; Y221-I293 HydrophobicContact CD2-CG2 3.73Å; Y221-I293 HydrophobicContact CE2-CG2 3.74Å; Y221-E295 PolarHBondContact OH-O 3.19Å; Y221-P297 HydrophobicContact CD1-CB 3.79Å; Y221-P297 HydrophobicContact CD1-CG 4.13Å; Y221-P297 HydrophobicContact CD2-CB 4.12Å; Y221-P297 HydrophobicContact CE1-CB 3.81Å; Y221-P297 HydrophobicContact CE1-CG 3.79Å; Y221-P297 HydrophobicContact CE2-CB 4.1Å; Y221-P297 HydrophobicContact CG-CB 3.95Å; Y221-M329 VanDerWaalsContact CB-CE 3.48Å; Y221-M329 HydrophobicContact CD2-CE 3.51Å; Y221-M329 HydrophobicContact CE2-CE 4.41Å; Y221-M329 HydrophobicContact CG-CE 3.61Å
222T94.6Very high95.5Very high65 Ų6555 Ų5540%0.39926%0.255SS..Hα-helixtrans-60.2-42.5-179.1-61.70000111.7T220 K226T220-T222 VanDerWaalsContact C-N 3.28Å; T220-T222 PolarHBondContact O-N 3.26Å; T222-K226 WeakPolarHBondContact O-CB 3.5Å; T222-K226 PolarHBondContact O-N 2.91Å
223S95.3Very high95.5Very high39 Ų3952.1 Ų52.127%0.27324%0.244SC..Hα-helixtrans-72-40.3-179.874.30000112.8H219 T220 Y221 K226 K227H219-S223 VanDerWaalsContact CA-OG 3.22Å; H219-S223 WeakPolarHBondContact CA-OG 3.33Å; H219-S223 WeakPolarHBondContact CB-OG 3.42Å; H219-S223 PolarHBondContact ND1-OG 2.89Å; T220-S223 PolarHBondContact N-OG 2.9Å; T220-S223 PolarHBondContact O-N 2.88Å; T220-S223 VanDerWaalsContact O-N 3.07Å; T220-S223 PolarHBondContact O-OG 3.31Å; Y221-S223 VanDerWaalsContact C-N 3.32Å; Y221-S223 PolarHBondContact O-N 3.22Å; S223-K226 PolarHBondContact O-N 2.69Å; S223-K227 PolarHBondContact O-N 3.16Å
224L95.4Very high95.4Very high2 Ų253.8 Ų53.81%0.0125%0.252CS..Hα-helixtrans-62-49.5175.5-179.461.2000110.4H219 T220 Y221 K226 K227 I228 I293 L335 Y342H219-L224 HydrophobicContact CB-CB 4.01Å; T220-L224 PolarHBondContact O-N 3.13Å; Y221-L224 PolarHBondContact O-N 3.4Å; L224-K226 VanDerWaalsContact C-N 3.28Å; L224-K226 PolarHBondContact O-N 2.96Å; L224-K227 WeakPolarHBondContact O-CB 3.33Å; L224-K227 PolarHBondContact O-N 3.21Å; L224-I228 HydrophobicContact CD1-CG2 4.41Å; L224-I228 PolarHBondContact O-N 2.88Å; L224-I293 HydrophobicContact CD2-CD1 4.43Å; L224-L335 HydrophobicContact CB-CD1 4.29Å; L224-L335 HydrophobicContact CD2-CD1 3.73Å; L224-Y342 HydrophobicContact CD1-CD1 4.48Å; L224-Y342 HydrophobicContact CD1-CD2 4.4Å; L224-Y342 HydrophobicContact CD1-CE1 4.26Å; L224-Y342 HydrophobicContact CD1-CE2 4.19Å; L224-Y342 HydrophobicContact CD2-CD1 4.12Å; L224-Y342 HydrophobicContact CD2-CD2 4.35Å; L224-Y342 HydrophobicContact CD2-CG 3.92Å
225R94.6Very high95.4Very high74 Ų7453.5 Ų53.528%0.27925%0.251SS..Hα-helixtrans-59.9-39.3177.8-177.6160.5170.3-104.118.1111.9Y221 I228 R229 E295Y221-R225 WeakPolarHBondContact O-CB 3.2Å; Y221-R225 PolarHBondContact O-N 2.93Å; Y221-R225 VanDerWaalsContact OH-CD 3.23Å; Y221-R225 WeakPolarHBondContact OH-CD 3.35Å; R225-I228 VanDerWaalsContact O-CG1 3.26Å; R225-I228 WeakPolarHBondContact O-CG1 3.4Å; R225-R229 VanDerWaalsContact CZ-CZ 3.5Å; R225-R229 WeakPolarHBondContact O-CB 3.35Å; R225-R229 WeakPolarHBondContact O-CG 3.36Å; R225-R229 PolarHBondContact O-N 3.34Å; R225-R229 VanDerWaalsContact O-N 3.17Å; R225-E295 IonicContact CZ-OE1 2.79Å; R225-E295 IonicContact NE-OE1 3.13Å; R225-E295 PolarHBondContact NE-OE1 3.32Å; R225-E295 IonicContact NE-OE2 3.64Å; R225-E295 PolarHBondContact NE-OE2 3.14Å; R225-E295 IonicContact NH2-OE1 3.64Å; R225-E295 PolarHBondContact NH2-OE1 3.08Å
226K95.5Very high95.4Very high144 Ų14453.2 Ų53.263%0.62625%0.249SC*.Hα-helixtrans-64.7-39.7174.2-172.3177.2-178.2178.50111.9T222 S223 L224 K230T222-K226 WeakPolarHBondContact O-CB 3.5Å; T222-K226 PolarHBondContact O-N 2.91Å; S223-K226 PolarHBondContact O-N 2.69Å; L224-K226 VanDerWaalsContact C-N 3.28Å; L224-K226 PolarHBondContact O-N 2.96Å; K226-K230 WeakPolarHBondContact O-CG 3.47Å; K226-K230 PolarHBondContact O-N 3.01Å
227K95Very high95.5Very high47 Ų4755.1 Ų55.120%0.20426%0.261CS..Hα-helixtrans-63.3-51.4178.6178.2175.2-178.8171.30111.8N146 E217 H219 S223 L224 R229 K230N146-K227 PolarHBondContact ND2-NZ 2.81Å; N146-K227 WeakPolarHBondContact OD1-CE 3.39Å; E217-K227 IonicContact OE1-NZ 3.87Å; E217-K227 PolarHBondContact OE1-NZ 2.98Å; E217-K227 IonicContact OE2-NZ 2.96Å; E217-K227 PolarHBondContact OE2-NZ 3.33Å; H219-K227 WeakPolarHBondContact NE2-CD 3.46Å; H219-K227 PolarHBondContact NE2-NZ 2.94Å; H219-K227 VanDerWaalsContact NE2-NZ 3.12Å; S223-K227 PolarHBondContact O-N 3.16Å; L224-K227 WeakPolarHBondContact O-CB 3.33Å; L224-K227 PolarHBondContact O-N 3.21Å; K227-R229 VanDerWaalsContact C-N 3.31Å; K227-R229 PolarHBondContact O-N 2.58Å; K227-K230 PolarHBondContact O-N 2.7Å
228I95.2Very high95.5Very high7 Ų752.9 Ų52.94%0.03625%0.251CS..Hα-helixtrans-64.1-37.4-178.967.1177.1000111.6L224 R225 K230 K231 F233 L235 Y342 K344L224-I228 HydrophobicContact CD1-CG2 4.41Å; L224-I228 PolarHBondContact O-N 2.88Å; R225-I228 VanDerWaalsContact O-CG1 3.26Å; R225-I228 WeakPolarHBondContact O-CG1 3.4Å; I228-K230 VanDerWaalsContact C-N 3.34Å; I228-K230 PolarHBondContact O-N 3.3Å; I228-K231 CarbonylContact O-C 3.14Å; I228-K231 WeakPolarHBondContact O-CA 3.11Å; I228-K231 WeakPolarHBondContact O-CB 3.21Å; I228-K231 PolarHBondContact O-N 2.86Å; I228-F233 CarbonylContact C-O 3.13Å; I228-F233 HydrophobicContact CB-CB 4.14Å; I228-F233 PolarHBondContact O-N 3.49Å; I228-F233 VanDerWaalsContact O-N 3.15Å; I228-L235 HydrophobicContact CD1-CD1 4.45Å; I228-L235 HydrophobicContact CD1-CD2 3.57Å; I228-L235 HydrophobicContact CD1-CG 3.55Å; I228-Y342 HydrophobicContact CG2-CD2 4.35Å; I228-Y342 HydrophobicContact CG2-CE2 3.87Å; I228-K344 HydrophobicContact CG2-CG 4.48Å
229R95.3Very high95.6Very high96 Ų9649.6 Ų49.636%0.36224%0.237SC..Hα-helixtrans-68.1-28.8179.9-81-171.3162.91667.8114.5R225 K227 K231 N232 F233 D234 E295R225-R229 VanDerWaalsContact CZ-CZ 3.5Å; R225-R229 WeakPolarHBondContact O-CB 3.35Å; R225-R229 WeakPolarHBondContact O-CG 3.36Å; R225-R229 PolarHBondContact O-N 3.34Å; R225-R229 VanDerWaalsContact O-N 3.17Å; K227-R229 VanDerWaalsContact C-N 3.31Å; K227-R229 PolarHBondContact O-N 2.58Å; R229-K231 PolarHBondContact O-N 3.1Å; R229-N232 PolarHBondContact O-N 2.89Å; R229-F233 WeakPolarHBondContact CA-O 3.24Å; R229-F233 WeakPolarHBondContact CG-O 3.39Å; R229-F233 PolarHBondContact N-O 2.63Å; R229-D234 IonicContact CZ-OD1 2.9Å; R229-D234 IonicContact NE-OD1 2.85Å; R229-D234 PolarHBondContact NE-OD1 2.99Å; R229-D234 IonicContact NH2-OD1 2.88Å; R229-D234 PolarHBondContact NH2-OD1 2.81Å; R229-E295 IonicContact CZ-OE1 3.66Å; R229-E295 IonicContact NH2-OE1 3.98Å; R229-E295 PolarHBondContact NH2-OE1 3.35Å; R229-E295 IonicContact NH2-OE2 2.71Å
230K94Very high95.8Very high157 Ų15749.4 Ų49.468%0.68324%0.236SC*.Hα-helixtrans-59.6-26.2171.9-74.2173.6179-177.50112.2K226 K227 I228K226-K230 WeakPolarHBondContact O-CG 3.47Å; K226-K230 PolarHBondContact O-N 3.01Å; K227-K230 PolarHBondContact O-N 2.7Å; I228-K230 VanDerWaalsContact C-N 3.34Å; I228-K230 PolarHBondContact O-N 3.3Å
231K91Very high95.9Very high91 Ų9148.3 Ų48.340%0.39623%0.229SC..THydrogen-bonded Turntrans-96.111.6176.2-81.3-164.2171.6-1540112.7M36 D61 I228 R229 F233M36-K231 HydrophobicContact CE-CB 3.53Å; M36-K231 HydrophobicContact CE-CD 3.95Å; M36-K231 HydrophobicContact CE-CG 3.97Å; M36-K231 WeakPolarHBondContact CE-O 3.4Å; D61-K231 IonicContact OD2-NZ 2.7Å; D61-K231 PolarHBondContact OD2-NZ 3.42Å; I228-K231 CarbonylContact O-C 3.14Å; I228-K231 WeakPolarHBondContact O-CA 3.11Å; I228-K231 WeakPolarHBondContact O-CB 3.21Å; I228-K231 PolarHBondContact O-N 2.86Å; R229-K231 PolarHBondContact O-N 3.1Å; K231-F233 HydrophobicContact CB-CD2 3.66Å; K231-F233 HydrophobicContact CB-CE2 3.92Å; K231-F233 HydrophobicContact CD-CE2 4.28Å; K231-F233 PolarHBondContact O-N 3.17Å
232N92.7Very high96.1Very high94 Ų9447.8 Ų47.850%0.50323%0.227SC..THydrogen-bonded Turntrans61.623.8-175.6-59.5-15.8000114.6R229R229-N232 PolarHBondContact O-N 2.89Å
233F96.6Very high96.3Very high4 Ų444.7 Ų44.72%0.01821%0.208CC..  trans-92.4150.7166.7-62.2-65.9000110.8M36 I60 F65 I228 R229 K231 K344 A345 I346M36-F233 HydrophobicContact CE-CD2 4.12Å; M36-F233 HydrophobicContact CE-CE2 3.33Å; M36-F233 HydrophobicContact CE-CZ 3.57Å; M36-F233 HydrophobicContact SD-CE2 4.35Å; M36-F233 HydrophobicContact SD-CZ 4Å; I60-F233 HydrophobicContact CG2-CZ 4.2Å; F65-F233 HydrophobicContact CE1-CD1 4.3Å; F65-F233 AromaticContact CE1-CE1 3.76Å; F65-F233 HydrophobicContact CE1-CE1 3.76Å; F65-F233 HydrophobicContact CE2-CE1 4.34Å; F65-F233 HydrophobicContact CE2-CZ 4.36Å; F65-F233 HydrophobicContact CZ-CD1 4.29Å; F65-F233 AromaticContact CZ-CE1 3.5Å; F65-F233 HydrophobicContact CZ-CE1 3.5Å; F65-F233 AromaticContact CZ-CZ 3.82Å; F65-F233 HydrophobicContact CZ-CZ 3.82Å; I228-F233 CarbonylContact C-O 3.13Å; I228-F233 HydrophobicContact CB-CB 4.14Å; I228-F233 PolarHBondContact O-N 3.49Å; I228-F233 VanDerWaalsContact O-N 3.15Å; R229-F233 WeakPolarHBondContact CA-O 3.24Å; R229-F233 WeakPolarHBondContact CG-O 3.39Å; R229-F233 PolarHBondContact N-O 2.63Å; K231-F233 HydrophobicContact CB-CD2 3.66Å; K231-F233 HydrophobicContact CB-CE2 3.92Å; K231-F233 HydrophobicContact CD-CE2 4.28Å; K231-F233 PolarHBondContact O-N 3.17Å; F233-K344 HydrophobicContact CB-CB 4.15Å; F233-K344 HydrophobicContact CB-CG 4.41Å; F233-K344 HydrophobicContact CD1-CB 3.97Å; F233-K344 HydrophobicContact CD2-CD 4.1Å; F233-K344 HydrophobicContact CD2-CG 4.44Å; F233-K344 HydrophobicContact CE1-CB 4.48Å; F233-K344 HydrophobicContact CE2-CD 4.22Å; F233-K344 HydrophobicContact CG-CB 3.99Å; F233-K344 HydrophobicContact CG-CD 4.4Å; F233-K344 HydrophobicContact CG-CG 4.31Å; F233-A345 CarbonylContact C-O 3.56Å; F233-A345 WeakPolarHBondContact CA-O 3.44Å; F233-I346 HydrophobicContact CD1-CD1 4.03Å; F233-I346 HydrophobicContact CD1-CG1 3.48Å; F233-I346 VanDerWaalsContact CD1-CG1 3.48Å; F233-I346 HydrophobicContact CE1-CD1 3.67Å; F233-I346 HydrophobicContact CE1-CG1 3.65Å
234D97Very high96.4Very high34 Ų3442.9 Ų42.918%0.18220%0.195CC..BIsolated β-bridgetrans-117.9167.2167.8-81.2-50.3000110.2R229 A345 L347R229-D234 IonicContact CZ-OD1 2.9Å; R229-D234 IonicContact NE-OD1 2.85Å; R229-D234 PolarHBondContact NE-OD1 2.99Å; R229-D234 IonicContact NH2-OD1 2.88Å; R229-D234 PolarHBondContact NH2-OD1 2.81Å; D234-A345 PolarHBondContact N-O 3.07Å; D234-A345 PolarHBondContact O-N 3.21Å; D234-L347 HydrophobicContact CB-CD1 4.35Å
235L97.2Very high96.6Very high1 Ų142.8 Ų42.81%0.00520%0.195CC..PPolyproline II helixtrans-86.9158161.2-62.1178.2000109.6Y221 I228 I293 T294 E295 Y342Y221-L235 HydrophobicContact CE2-CD1 3.97Å; I228-L235 HydrophobicContact CD1-CD1 4.45Å; I228-L235 HydrophobicContact CD1-CD2 3.57Å; I228-L235 HydrophobicContact CD1-CG 3.55Å; L235-I293 HydrophobicContact CD1-CG2 3.84Å; L235-T294 WeakPolarHBondContact CD1-O 3.21Å; L235-E295 HydrophobicContact CB-CB 4.27Å; L235-Y342 HydrophobicContact CD2-CD2 4.24Å
236L98.4Very high96.7Very high3 Ų339.2 Ų39.22%0.01618%0.181CC..PPolyproline II helixtrans-73.8138.5173.9-61.5174.4000110M134 V136 Q240 W241 V244 T294 E295 A345M134-L236 HydrophobicContact SD-CD2 3.66Å; V136-L236 HydrophobicContact CG1-CD1 4.2Å; V136-L236 HydrophobicContact CG2-CD2 4.43Å; L236-Q240 HydrophobicContact CB-CB 4.1Å; L236-Q240 HydrophobicContact CD2-CB 4.01Å; L236-W241 HydrophobicContact CB-CB 4.26Å; L236-W241 HydrophobicContact CD1-CB 4.48Å; L236-V244 HydrophobicContact CD1-CG2 3.61Å; L236-T294 CarbonylContact O-C 3.53Å; L236-T294 VanDerWaalsContact O-CA 3.27Å; L236-T294 WeakPolarHBondContact O-CA 3.16Å; L236-T294 WeakPolarHBondContact O-CB 3.43Å; L236-E295 PolarHBondContact O-N 2.97Å; L236-A345 HydrophobicContact CD2-CB 3.56Å; L236-A345 HydrophobicContact CG-CB 4.25Å
237T97.9Very high96.7Very high47 Ų4732.7 Ų32.729%0.28815%0.154SC..PPolyproline II helixtrans-68.8168.3162.869.50000110.3D239 Q240 W241 E295T237-D239 PolarHBondContact O-N 3.3Å; T237-Q240 PolarHBondContact O-N 2.64Å; T237-Q240 VanDerWaalsContact OG1-CD 3.28Å; T237-Q240 VanDerWaalsContact OG1-CG 3.22Å; T237-Q240 WeakPolarHBondContact OG1-CG 3.42Å; T237-Q240 PolarHBondContact OG1-N 3.37Å; T237-W241 WeakPolarHBondContact O-CB 3.47Å; T237-W241 PolarHBondContact O-N 2.71Å; T237-E295 HydrophobicContact CG2-CB 4.05Å; T237-E295 HydrophobicContact CG2-CG 4.3Å
238E97.9Very high96.7Very high42 Ų4231.4 Ų31.420%0.19615%0.154CC..Hα-helixtrans-52.9-53.6174.3180163.5-12200112.1T124 Q240 W241 E242 V299 K301T124-E238 VanDerWaalsContact CG2-CD 3.42Å; T124-E238 HydrophobicContact CG2-CG 4.31Å; T124-E238 WeakPolarHBondContact CG2-OE1 3.22Å; E238-Q240 VanDerWaalsContact C-N 3.25Å; E238-Q240 PolarHBondContact O-N 2.92Å; E238-W241 PolarHBondContact O-N 3.43Å; E238-W241 VanDerWaalsContact O-N 3.1Å; E238-E242 HydrophobicContact CG-CG 4.2Å; E238-E242 VanDerWaalsContact O-CG 3.3Å; E238-E242 WeakPolarHBondContact O-CG 3.36Å; E238-E242 PolarHBondContact O-N 3.01Å; E238-V299 HydrophobicContact CB-CG1 3.98Å; E238-V299 HydrophobicContact CG-CG1 4.24Å; E238-K301 HydrophobicContact CG-CD 4.33Å; E238-K301 IonicContact OE1-NZ 2.8Å; E238-K301 PolarHBondContact OE1-NZ 3.21Å
239D98.5Very high96.5Very high42 Ų4231.8 Ų31.823%0.22516%0.157CC..Hα-helixtrans-55-41.5178.5-66.2-37.6000112.8L76 R127 V129 I131 T237 Y243L76-D239 HydrophobicContact CD1-CB 3.99Å; L76-D239 WeakPolarHBondContact CD1-O 3.31Å; R127-D239 IonicContact CZ-OD1 3.9Å; R127-D239 IonicContact NE-OD1 3.27Å; R127-D239 PolarHBondContact NE-OD1 3.42Å; R127-D239 IonicContact NH2-OD1 3.84Å; R127-D239 PolarHBondContact NH2-OD1 2.95Å; V129-D239 HydrophobicContact CG1-CB 4.23Å; V129-D239 HydrophobicContact CG2-CB 4.35Å; I131-D239 HydrophobicContact CD1-CB 3.82Å; T237-D239 PolarHBondContact O-N 3.3Å; D239-Y243 VanDerWaalsContact O-CB 3.31Å; D239-Y243 WeakPolarHBondContact O-CB 3.35Å; D239-Y243 PolarHBondContact O-N 3.24Å
240Q98.7Very high96.3Very high13 Ų1333.3 Ų33.36%0.06116%0.163CC..Hα-helixtrans-68.9-43179.8-64.9165.5-2.500110.6M134 L236 T237 E238 Y243 V244M134-Q240 HydrophobicContact CE-CB 4.06Å; M134-Q240 HydrophobicContact CE-CG 3.89Å; L236-Q240 HydrophobicContact CB-CB 4.1Å; L236-Q240 HydrophobicContact CD2-CB 4.01Å; T237-Q240 PolarHBondContact O-N 2.64Å; T237-Q240 VanDerWaalsContact OG1-CD 3.28Å; T237-Q240 VanDerWaalsContact OG1-CG 3.22Å; T237-Q240 WeakPolarHBondContact OG1-CG 3.42Å; T237-Q240 PolarHBondContact OG1-N 3.37Å; E238-Q240 VanDerWaalsContact C-N 3.25Å; E238-Q240 PolarHBondContact O-N 2.92Å; Q240-Y243 PolarHBondContact O-N 2.86Å; Q240-V244 WeakPolarHBondContact O-CG1 3.27Å; Q240-V244 WeakPolarHBondContact O-CG2 3.49Å; Q240-V244 PolarHBondContact O-N 2.98Å
241W98.6Very high96.2Very high2 Ų229.9 Ų29.91%0.00815%0.146CC..Hα-helixtrans-60.4-48.9176.3-169.898.3000111.6L236 T237 E238 Y243 V244 N245 F284 E292 K301 L302L236-W241 HydrophobicContact CB-CB 4.26Å; L236-W241 HydrophobicContact CD1-CB 4.48Å; T237-W241 WeakPolarHBondContact O-CB 3.47Å; T237-W241 PolarHBondContact O-N 2.71Å; E238-W241 PolarHBondContact O-N 3.43Å; E238-W241 VanDerWaalsContact O-N 3.1Å; W241-Y243 VanDerWaalsContact C-N 3.3Å; W241-Y243 PolarHBondContact O-N 2.74Å; W241-V244 WeakPolarHBondContact O-CG2 3.21Å; W241-V244 PolarHBondContact O-N 3.17Å; W241-N245 HydrophobicContact CE3-CB 4.16Å; W241-N245 HydrophobicContact CH2-CB 4.31Å; W241-N245 VanDerWaalsContact CH2-ND2 3.28Å; W241-N245 WeakPolarHBondContact CH2-ND2 3.49Å; W241-N245 HydrophobicContact CZ3-CB 4Å; W241-N245 VanDerWaalsContact O-CB 3.28Å; W241-N245 WeakPolarHBondContact O-CB 3.28Å; W241-N245 PolarHBondContact O-N 3.42Å; W241-F284 HydrophobicContact CD2-CE1 4.46Å; W241-F284 AromaticContact CE2-CE1 3.75Å; W241-F284 HydrophobicContact CH2-CD1 4.48Å; W241-F284 AromaticContact CZ2-CD1 3.68Å; W241-F284 HydrophobicContact CZ2-CD1 3.68Å; W241-F284 AromaticContact CZ2-CE1 3.88Å; W241-F284 HydrophobicContact CZ2-CE1 3.88Å; W241-F284 AromaticContact NE1-CE1 3.72Å; W241-E292 PolarHBondContact NE1-OE1 3.45Å; W241-E292 PolarHBondContact NE1-OE2 3.12Å; W241-K301 HydrophobicContact CB-CG 4.38Å; W241-K301 HydrophobicContact CD2-CB 3.84Å; W241-K301 HydrophobicContact CD2-CD 4.48Å; W241-K301 HydrophobicContact CD2-CG 3.59Å; W241-K301 HydrophobicContact CE3-CB 4.04Å; W241-K301 HydrophobicContact CE3-CD 4.2Å; W241-K301 VanDerWaalsContact CE3-CE 3.5Å; W241-K301 HydrophobicContact CE3-CG 3.77Å; W241-K301 HydrophobicContact CG-CB 4.44Å; W241-K301 HydrophobicContact CG-CG 3.86Å; W241-K301 HydrophobicContact CH2-CB 3.98Å; W241-K301 HydrophobicContact CZ2-CB 3.77Å; W241-K301 HydrophobicContact CZ2-CG 4.47Å; W241-K301 HydrophobicContact CZ3-CB 4.11Å; W241-K301 HydrophobicContact CZ3-CG 4.29Å; W241-L302 HydrophobicContact CH2-CD2 3.93Å; W241-L302 HydrophobicContact CH2-CG 4.4Å; W241-L302 HydrophobicContact CZ2-CD2 3.97Å; W241-L302 HydrophobicContact CZ2-CG 4.05Å
242E98.7Very high96.3Very high0 Ų025.6 Ų25.60%013%0.127CC..Hα-helixtrans-61.8-40.4178.8-62.4-168.9156.200111.2L76 T124 R127 E238 G246 K301 S321 Y322L76-E242 HydrophobicContact CD1-CB 4.29Å; T124-E242 WeakPolarHBondContact CG2-OE1 3.36Å; T124-E242 VanDerWaalsContact OG1-CD 3.28Å; T124-E242 PolarHBondContact OG1-OE1 2.86Å; T124-E242 PolarHBondContact OG1-OE2 3Å; R127-E242 IonicContact CZ-OE2 2.66Å; R127-E242 IonicContact NH1-OE2 2.79Å; R127-E242 IonicContact NH2-OE2 2.8Å; R127-E242 PolarHBondContact NH2-OE2 3.34Å; E238-E242 HydrophobicContact CG-CG 4.2Å; E238-E242 VanDerWaalsContact O-CG 3.3Å; E238-E242 WeakPolarHBondContact O-CG 3.36Å; E238-E242 PolarHBondContact O-N 3.01Å; E242-G246 PolarHBondContact O-N 3.14Å; E242-K301 IonicContact OE1-NZ 3.13Å; E242-K301 PolarHBondContact OE1-NZ 3.21Å; E242-S321 WeakPolarHBondContact CB-O 3.28Å; E242-S321 WeakPolarHBondContact CG-O 3.39Å; E242-Y322 HydrophobicContact CB-CD1 4.11Å; E242-Y322 HydrophobicContact CB-CE1 4.27Å; E242-Y322 HydrophobicContact CG-CD1 4.3Å; E242-Y322 WeakPolarHBondContact OE1-CA 3.25Å
243Y98.7Very high96.5Very high0 Ų021.1 Ų21.10%010%0.103CC..Hα-helixtrans-64.2-49.1175.2179-104.9000112.3I68 P69 N71 A74 L76 I131 D239 Q240 W241 N245 A247 F280I68-Y243 HydrophobicContact CG2-CE1 3.88Å; P69-Y243 WeakPolarHBondContact O-CE1 3.22Å; P69-Y243 PolarHBondContact O-OH 2.9Å; N71-Y243 HydrophobicContact CB-CE2 3.74Å; A74-Y243 HydrophobicContact CB-CD2 4.18Å; A74-Y243 HydrophobicContact CB-CE2 4.49Å; L76-Y243 HydrophobicContact CD2-CD2 4.46Å; I131-Y243 HydrophobicContact CB-CD1 4.21Å; I131-Y243 HydrophobicContact CB-CG 4.25Å; I131-Y243 HydrophobicContact CG1-CD1 4.37Å; I131-Y243 HydrophobicContact CG1-CD2 4.24Å; I131-Y243 HydrophobicContact CG1-CG 3.91Å; I131-Y243 HydrophobicContact CG2-CD1 3.51Å; I131-Y243 HydrophobicContact CG2-CE1 4.01Å; I131-Y243 HydrophobicContact CG2-CG 3.92Å; D239-Y243 VanDerWaalsContact O-CB 3.31Å; D239-Y243 WeakPolarHBondContact O-CB 3.35Å; D239-Y243 PolarHBondContact O-N 3.24Å; Q240-Y243 PolarHBondContact O-N 2.86Å; W241-Y243 VanDerWaalsContact C-N 3.3Å; W241-Y243 PolarHBondContact O-N 2.74Å; Y243-N245 PolarHBondContact O-N 2.98Å; Y243-A247 WeakPolarHBondContact O-CA 3.44Å; Y243-A247 PolarHBondContact O-N 2.77Å; Y243-F280 HydrophobicContact CE1-CE2 4.2Å; Y243-F280 HydrophobicContact CE1-CZ 4.11Å; Y243-F280 AromaticContact CZ-CZ 3.92Å
244V98.6Very high96.4Very high0 Ų021.1 Ų21.10%010%0.103CC..Hα-helixtrans-71.5-20.9-177.8-58.60000112.5I68 M134 V136 L236 Q240 W241 N278 L282 F284I68-V244 HydrophobicContact CD1-CB 3.87Å; I68-V244 HydrophobicContact CD1-CG1 3.67Å; I68-V244 HydrophobicContact CG2-CG1 4.38Å; M134-V244 HydrophobicContact SD-CG1 3.82Å; V136-V244 HydrophobicContact CG2-CG1 4.18Å; L236-V244 HydrophobicContact CD1-CG2 3.61Å; Q240-V244 WeakPolarHBondContact O-CG1 3.27Å; Q240-V244 WeakPolarHBondContact O-CG2 3.49Å; Q240-V244 PolarHBondContact O-N 2.98Å; W241-V244 WeakPolarHBondContact O-CG2 3.21Å; W241-V244 PolarHBondContact O-N 3.17Å; V244-N278 PolarHBondContact O-ND2 2.92Å; V244-L282 HydrophobicContact CB-CD1 3.79Å; V244-L282 HydrophobicContact CG2-CD1 4.01Å; V244-F284 HydrophobicContact CG2-CZ 4.01Å
245N98.2Very high96.3Very high0 Ų019.5 Ų19.50%09%0.094CC..Hα-helixtrans-79.3-51.4174.7-171.9-70000112.3W241 Y243 R254 N278 F284 S321W241-N245 HydrophobicContact CE3-CB 4.16Å; W241-N245 HydrophobicContact CH2-CB 4.31Å; W241-N245 VanDerWaalsContact CH2-ND2 3.28Å; W241-N245 WeakPolarHBondContact CH2-ND2 3.49Å; W241-N245 HydrophobicContact CZ3-CB 4Å; W241-N245 VanDerWaalsContact O-CB 3.28Å; W241-N245 WeakPolarHBondContact O-CB 3.28Å; W241-N245 PolarHBondContact O-N 3.42Å; Y243-N245 PolarHBondContact O-N 2.98Å; N245-R254 WeakPolarHBondContact O-CB 3.32Å; N245-N278 PolarHBondContact O-ND2 3.2Å; N245-N278 VanDerWaalsContact O-ND2 3.16Å; N245-F284 HydrophobicContact CB-CE1 3.97Å; N245-F284 HydrophobicContact CB-CE2 4.09Å; N245-F284 HydrophobicContact CB-CZ 3.74Å; N245-F284 WeakPolarHBondContact ND2-CD1 3.42Å; N245-F284 WeakPolarHBondContact ND2-CE1 3.49Å; N245-F284 VanDerWaalsContact ND2-CG 3.27Å; N245-F284 WeakPolarHBondContact ND2-CG 2.99Å; N245-S321 WeakPolarHBondContact OD1-CB 3.35Å; N245-S321 PolarHBondContact OD1-OG 3.44Å
246G97.1Very high96Very high0 Ų019.5 Ų19.50%09%0.094CC..Hα-helixtrans-115.5-1.6-168.100000116.1E242 G248 S249E242-G246 PolarHBondContact O-N 3.14Å; G246-G248 PolarHBondContact O-N 2.83Å; G246-G248 VanDerWaalsContact O-N 3.14Å; G246-S249 VanDerWaalsContact O-CB 3.24Å; G246-S249 WeakPolarHBondContact O-CB 3.27Å; G246-S249 PolarHBondContact O-N 3.05Å; G246-S249 PolarHBondContact O-OG 3.06Å
247A96.4Very high95.5Very high7 Ų720.8 Ų20.86%0.05810%0.101CC..THydrogen-bonded Turntrans54.626.4-178.800000115.4W9 I51 Y243 S249 M279 F280W9-A247 HydrophobicContact CH2-CB 3.69Å; W9-A247 HydrophobicContact CZ3-CB 4.01Å; I51-A247 HydrophobicContact CG2-CB 4.36Å; Y243-A247 WeakPolarHBondContact O-CA 3.44Å; Y243-A247 PolarHBondContact O-N 2.77Å; A247-S249 VanDerWaalsContact C-N 3.25Å; A247-S249 PolarHBondContact O-N 2.73Å; A247-M279 HydrophobicContact CB-CE 4.19Å; A247-M279 HydrophobicContact CB-CG 3.7Å; A247-M279 HydrophobicContact CB-SD 3.84Å; A247-F280 HydrophobicContact CB-CE2 3.61Å; A247-F280 HydrophobicContact CB-CZ 3.76Å
248G93.8Very high95.1Very high19 Ų1919.5 Ų19.520%0.1969%0.093CC..THydrogen-bonded Turntrans65.725.7-174.200000113.9I75 G246I75-G248 WeakPolarHBondContact O-CA 3.22Å; G246-G248 PolarHBondContact O-N 2.83Å; G246-G248 VanDerWaalsContact O-N 3.14Å
249S91.9Very high94.7Very high15 Ų1517.6 Ų17.611%0.1058%0.084CC..  trans-69.1143.5176.979.50000111.5G246 A247 R251 Y322G246-S249 VanDerWaalsContact O-CB 3.24Å; G246-S249 WeakPolarHBondContact O-CB 3.27Å; G246-S249 PolarHBondContact O-N 3.05Å; G246-S249 PolarHBondContact O-OG 3.06Å; A247-S249 VanDerWaalsContact C-N 3.25Å; A247-S249 PolarHBondContact O-N 2.73Å; S249-R251 PolarHBondContact O-N 3.16Å; S249-Y322 PolarHBondContact N-OH 3.26Å; S249-Y322 PolarHBondContact O-OH 3.28Å
250R90.5Very high94.1Very high128 Ų12817.1 Ų17.148%0.4838%0.081SC..SBendtrans-79.246.1175.4-62.5-165.865.477.53.5112.3
251R91.9Very high93.4Very high86 Ų8617.6 Ų17.633%0.3259%0.085SC..SBendtrans-131.7148.6178.3-65169176.9165.3-8.9108.3Y49 S249 Y322Y49-R251 VanDerWaalsContact CE1-NH1 3.29Å; Y49-R251 PolarHBondContact O-NH1 3.2Å; S249-R251 PolarHBondContact O-N 3.16Å; R251-Y322 VanDerWaalsContact O-CE2 3.31Å; R251-Y322 WeakPolarHBondContact O-CE2 3.42Å
252L93.7Very high92.6Very high0 Ų022.8 Ų22.80%012%0.117CC..SBendtrans-67.9-43.1178.4-79.4165.2000111.4W78 L85 I119 T123 I313 S320 S321W78-L252 HydrophobicContact CB-CD2 4.22Å; W78-L252 HydrophobicContact CD2-CD2 3.53Å; W78-L252 HydrophobicContact CD2-CG 3.82Å; W78-L252 HydrophobicContact CE3-CD2 4.06Å; W78-L252 HydrophobicContact CE3-CG 4.07Å; W78-L252 HydrophobicContact CG-CD2 3.61Å; W78-L252 HydrophobicContact CG-CG 4.4Å; W78-L252 HydrophobicContact CH2-CG 4.02Å; W78-L252 HydrophobicContact CZ2-CD1 3.94Å; W78-L252 HydrophobicContact CZ2-CD2 4.32Å; W78-L252 HydrophobicContact CZ2-CG 3.74Å; W78-L252 HydrophobicContact CZ3-CG 4.17Å; L85-L252 HydrophobicContact CD1-CD1 4.2Å; L85-L252 HydrophobicContact CD2-CD1 4.33Å; I119-L252 HydrophobicContact CG2-CD1 4.09Å; I119-L252 HydrophobicContact CG2-CD2 3.99Å; T123-L252 HydrophobicContact CG2-CD2 4.16Å; L252-I313 HydrophobicContact CD1-CD1 4.06Å; L252-S320 CarbonylContact O-C 3.45Å; L252-S320 VanDerWaalsContact O-CA 3.28Å; L252-S320 WeakPolarHBondContact O-CA 3.29Å; L252-S320 PolarHBondContact O-OG 2.99Å; L252-S321 PolarHBondContact O-N 3.39Å
253F96.2Very high91.8Very high0 Ų024.7 Ų24.70%013%0.127CC..SBendtrans-114.7144.5-179.1-42.6-89.6000111.7W255 G256 L259 I313 F316 L319F253-W255 HydrophobicContact CB-CD2 3.83Å; F253-W255 HydrophobicContact CB-CE3 4.1Å; F253-W255 HydrophobicContact CB-CG 4.46Å; F253-W255 HydrophobicContact CB-CH2 3.93Å; F253-W255 HydrophobicContact CB-CZ2 3.66Å; F253-W255 HydrophobicContact CB-CZ3 4.14Å; F253-W255 AromaticContact CD1-CH2 3.63Å; F253-W255 HydrophobicContact CD1-CH2 3.63Å; F253-W255 AromaticContact CD1-CZ2 3.55Å; F253-W255 HydrophobicContact CD1-CZ2 3.55Å; F253-W255 HydrophobicContact CD1-CZ3 4.47Å; F253-W255 HydrophobicContact CE1-CZ2 4.39Å; F253-W255 HydrophobicContact CG-CH2 4.09Å; F253-W255 AromaticContact CG-CZ2 3.68Å; F253-W255 HydrophobicContact CG-CZ2 3.68Å; F253-W255 PolarHBondContact O-N 3.34Å; F253-G256 WeakPolarHBondContact CB-O 3.22Å; F253-G256 PolarHBondContact O-N 2.83Å; F253-L259 HydrophobicContact CD1-CD2 4.43Å; F253-L259 HydrophobicContact CD2-CD2 3.9Å; F253-L259 HydrophobicContact CE1-CD2 4.24Å; F253-L259 HydrophobicContact CE2-CD1 3.76Å; F253-L259 HydrophobicContact CE2-CD2 3.68Å; F253-L259 HydrophobicContact CE2-CG 4.06Å; F253-L259 HydrophobicContact CG-CD2 4.28Å; F253-L259 HydrophobicContact CZ-CD1 3.94Å; F253-L259 HydrophobicContact CZ-CD2 3.86Å; F253-L259 HydrophobicContact CZ-CG 4.45Å; F253-I313 HydrophobicContact CE2-CD1 3.89Å; F253-I313 HydrophobicContact CZ-CD1 3.87Å; F253-F316 HydrophobicContact CE1-CB 4.34Å; F253-F316 VanDerWaalsContact CE1-O 3.26Å; F253-F316 WeakPolarHBondContact CE1-O 3.34Å; F253-F316 HydrophobicContact CZ-CB 4.38Å; F253-L319 HydrophobicContact CD1-CB 4.42Å; F253-L319 HydrophobicContact CE1-CB 4.46Å
254R95.6Very high90.9Very high4 Ų430.1 Ų30.12%0.01516%0.162CC..THydrogen-bonded Turntrans-58.5-28.6179.363.6177-176.7-83-0.5113.9L48 N245 M274 M279 T286L48-R254 HydrophobicContact CD2-CB 3.92Å; L48-R254 HydrophobicContact CD2-CG 3.81Å; L48-R254 WeakPolarHBondContact CD2-O 3.35Å; N245-R254 WeakPolarHBondContact O-CB 3.32Å; R254-M274 PolarHBondContact NH2-O 3.19Å; R254-M279 HydrophobicContact CB-CE 4.2Å; R254-T286 VanDerWaalsContact NH2-CG2 3.27Å
255W94.7Very high90.1Very high1 Ų140 Ų400%0.00420%0.201CC..THydrogen-bonded Turntrans-91.23.3177.663.185.1000113.9Y49 F253 D258 L259 M273 M274 L319Y49-W255 VanDerWaalsContact CD2-O 3.29Å; Y49-W255 WeakPolarHBondContact CD2-O 3.43Å; F253-W255 HydrophobicContact CB-CD2 3.83Å; F253-W255 HydrophobicContact CB-CE3 4.1Å; F253-W255 HydrophobicContact CB-CG 4.46Å; F253-W255 HydrophobicContact CB-CH2 3.93Å; F253-W255 HydrophobicContact CB-CZ2 3.66Å; F253-W255 HydrophobicContact CB-CZ3 4.14Å; F253-W255 AromaticContact CD1-CH2 3.63Å; F253-W255 HydrophobicContact CD1-CH2 3.63Å; F253-W255 AromaticContact CD1-CZ2 3.55Å; F253-W255 HydrophobicContact CD1-CZ2 3.55Å; F253-W255 HydrophobicContact CD1-CZ3 4.47Å; F253-W255 HydrophobicContact CE1-CZ2 4.39Å; F253-W255 HydrophobicContact CG-CH2 4.09Å; F253-W255 AromaticContact CG-CZ2 3.68Å; F253-W255 HydrophobicContact CG-CZ2 3.68Å; F253-W255 PolarHBondContact O-N 3.34Å; W255-D258 PolarHBondContact NE1-O 3.17Å; W255-D258 VanDerWaalsContact NE1-O 3.16Å; W255-L259 HydrophobicContact CZ2-CD2 4.07Å; W255-M273 HydrophobicContact CB-CB 3.68Å; W255-M274 HydrophobicContact CD2-CB 4.46Å; W255-M274 HydrophobicContact CD2-CG 3.5Å; W255-M274 VanDerWaalsContact CD2-CG 3.5Å; W255-M274 VanDerWaalsContact CE2-CG 3.49Å; W255-M274 HydrophobicContact CE3-CB 4.31Å; W255-M274 HydrophobicContact CE3-CG 3.74Å; W255-M274 HydrophobicContact CG-CG 4.03Å; W255-M274 HydrophobicContact CH2-CE 3.98Å; W255-M274 HydrophobicContact CH2-CG 3.99Å; W255-M274 HydrophobicContact CZ2-CE 3.95Å; W255-M274 HydrophobicContact CZ2-CG 3.76Å; W255-M274 HydrophobicContact CZ2-SD 4.07Å; W255-M274 HydrophobicContact CZ3-CG 3.98Å; W255-L319 HydrophobicContact CH2-CB 3.72Å; W255-L319 HydrophobicContact CH2-CD1 4.08Å; W255-L319 HydrophobicContact CZ3-CB 4.48Å
256G91.4Very high89.2Confident0 Ų047.2 Ų47.20%023%0.228CC..  trans101.6-172-175.100000114.2F253F253-G256 WeakPolarHBondContact CB-O 3.22Å; F253-G256 PolarHBondContact O-N 2.83Å
257N87.2Confident88.8Confident30 Ų3047.2 Ų47.216%0.1623%0.228CC..SBendtrans-92.50.4-172.1-69.3-8.4000113.6G84 L85 E89 L259G84-N257 PolarHBondContact O-ND2 2.86Å; L85-N257 HydrophobicContact CD2-CB 3.79Å; E89-N257 VanDerWaalsContact CG-O 3.27Å; E89-N257 WeakPolarHBondContact CG-O 3.26Å; N257-L259 PolarHBondContact O-N 3.03Å
258D88.7Confident88.5Confident21 Ų2154.3 Ų54.311%0.11226%0.258CS..  trans-77121178.5-164.4-27.2000109.5W255 N260 R266 V270W255-D258 PolarHBondContact NE1-O 3.17Å; W255-D258 VanDerWaalsContact NE1-O 3.16Å; D258-N260 PolarHBondContact OD1-N 2.93Å; D258-R266 IonicContact OD2-CZ 3.88Å; D258-R266 VanDerWaalsContact OD2-CZ 3.26Å; D258-R266 IonicContact OD2-NE 2.86Å; D258-R266 PolarHBondContact OD2-NE 3.1Å; D258-R266 IonicContact OD2-NH2 3.4Å; D258-R266 PolarHBondContact OD2-NH2 3.3Å; D258-V270 HydrophobicContact CB-CG2 3.91Å; D258-V270 VanDerWaalsContact O-CG1 3.32Å; D258-V270 WeakPolarHBondContact O-CG1 3.33Å
259L90.5Very high88.3Confident2 Ų257.7 Ų57.71%0.0127%0.272CS..  trans-118.85.8-179.6-61.8176.3000112.4E89 F253 W255 N257 V261 P312 I313 F316E89-L259 HydrophobicContact CB-CD1 4.37Å; E89-L259 HydrophobicContact CG-CB 4Å; E89-L259 HydrophobicContact CG-CD1 4.24Å; E89-L259 HydrophobicContact CG-CG 4.15Å; F253-L259 HydrophobicContact CD1-CD2 4.43Å; F253-L259 HydrophobicContact CD2-CD2 3.9Å; F253-L259 HydrophobicContact CE1-CD2 4.24Å; F253-L259 HydrophobicContact CE2-CD1 3.76Å; F253-L259 HydrophobicContact CE2-CD2 3.68Å; F253-L259 HydrophobicContact CE2-CG 4.06Å; F253-L259 HydrophobicContact CG-CD2 4.28Å; F253-L259 HydrophobicContact CZ-CD1 3.94Å; F253-L259 HydrophobicContact CZ-CD2 3.86Å; F253-L259 HydrophobicContact CZ-CG 4.45Å; W255-L259 HydrophobicContact CZ2-CD2 4.07Å; N257-L259 PolarHBondContact O-N 3.03Å; L259-V261 PolarHBondContact O-N 2.85Å; L259-P312 HydrophobicContact CB-CB 3.92Å; L259-P312 HydrophobicContact CD1-CB 4.38Å; L259-I313 HydrophobicContact CD1-CB 4.28Å; L259-I313 HydrophobicContact CD1-CD1 3.95Å; L259-F316 HydrophobicContact CB-CD2 4.14Å; L259-F316 HydrophobicContact CD1-CB 4.12Å; L259-F316 HydrophobicContact CD2-CB 3.75Å; L259-F316 HydrophobicContact CD2-CD2 4.38Å; L259-F316 HydrophobicContact CD2-CG 4.07Å; L259-F316 HydrophobicContact CG-CB 4.45Å
260N84.5Confident88.3Confident32 Ų3257 Ų5717%0.17127%0.267CS..  trans-82.266.1-176.9-160.8-13.1000110.8D258 T262 D263 G267D258-N260 PolarHBondContact OD1-N 2.93Å; N260-T262 PolarHBondContact O-N 2.73Å; N260-D263 HydrophobicContact CB-CB 4.3Å; N260-D263 PolarHBondContact O-N 2.88Å; N260-D263 PolarHBondContact OD1-N 2.9Å; N260-G267 WeakPolarHBondContact O-CA 3.39Å
261V84.2Confident88.4Confident23 Ų2355.8 Ų55.814%0.13926%0.262CS..THydrogen-bonded Turntrans-67.9-18.5-176.4-60.10000112.6L259 V270 R271 M274 F316L259-V261 PolarHBondContact O-N 2.85Å; V261-V270 HydrophobicContact CG1-CB 4.46Å; V261-V270 HydrophobicContact CG1-CG1 3.84Å; V261-R271 HydrophobicContact CB-CG 4Å; V261-R271 HydrophobicContact CG1-CG 4.28Å; V261-R271 PolarHBondContact O-NH1 2.91Å; V261-M274 HydrophobicContact CG1-SD 3.64Å; V261-F316 HydrophobicContact CB-CZ 4.43Å; V261-F316 HydrophobicContact CG1-CE1 4.33Å; V261-F316 HydrophobicContact CG1-CZ 4.03Å; V261-F316 HydrophobicContact CG2-CE1 4.42Å; V261-F316 HydrophobicContact CG2-CE2 4.11Å; V261-F316 HydrophobicContact CG2-CZ 3.51Å
262T81.4Confident88.5Confident110 Ų11057.8 Ų57.868%0.67527%0.273SS*.THydrogen-bonded Turntrans-91.1-11.3179.653.50000113N260N260-T262 PolarHBondContact O-N 2.73Å
263D82.3Confident88.5Confident41 Ų4159 Ų5922%0.21928%0.279CS..  trans-60.7129.3178.8-176.6-98.8000111.5N260 Y265 R266 G267N260-D263 HydrophobicContact CB-CB 4.3Å; N260-D263 PolarHBondContact O-N 2.88Å; N260-D263 PolarHBondContact OD1-N 2.9Å; D263-Y265 PolarHBondContact O-N 3.36Å; D263-Y265 WeakPolarHBondContact OD1-CA 3.29Å; D263-Y265 WeakPolarHBondContact OD1-CB 3.24Å; D263-Y265 PolarHBondContact OD1-N 2.88Å; D263-R266 HydrophobicContact CB-CB 4.4Å; D263-R266 PolarHBondContact OD1-N 2.69Å; D263-G267 VanDerWaalsContact O-CA 3.24Å; D263-G267 WeakPolarHBondContact O-CA 3.4Å; D263-G267 PolarHBondContact O-N 3.22Å
264P81.1Confident88.5Confident113 Ų11359.5 Ų59.573%0.73428%0.282SS*.THydrogen-bonded Turntrans-60.4-28.8-179.1-26.434.9000114.6
265Y80.8Confident88.4Confident209 Ų20963.8 Ų63.882%0.8230%0.302SS*.THydrogen-bonded Turntrans-96-47.6-173.3-59.3-81.8000111.9D263D263-Y265 PolarHBondContact O-N 3.36Å; D263-Y265 WeakPolarHBondContact OD1-CA 3.29Å; D263-Y265 WeakPolarHBondContact OD1-CB 3.24Å; D263-Y265 PolarHBondContact OD1-N 2.88Å
266R80.3Confident88.4Confident150 Ų15066.5 Ų66.557%0.56631%0.314SS*.THydrogen-bonded Turntrans-95.9-34.4-174.4-59.6177.766.3110.6-0.6112.5D258 D263 K268 N269 V270D258-R266 IonicContact OD2-CZ 3.88Å; D258-R266 VanDerWaalsContact OD2-CZ 3.26Å; D258-R266 IonicContact OD2-NE 2.86Å; D258-R266 PolarHBondContact OD2-NE 3.1Å; D258-R266 IonicContact OD2-NH2 3.4Å; D258-R266 PolarHBondContact OD2-NH2 3.3Å; D263-R266 HydrophobicContact CB-CB 4.4Å; D263-R266 PolarHBondContact OD1-N 2.69Å; R266-K268 VanDerWaalsContact C-N 3.29Å; R266-K268 PolarHBondContact O-N 3.22Å; R266-N269 PolarHBondContact O-N 2.82Å; R266-V270 PolarHBondContact O-N 2.83Å; R266-V270 VanDerWaalsContact O-N 3.13Å
267G87.6Confident88.7Confident0 Ų069.4 Ų69.40%033%0.328CS..Hα-helixtrans-60.8-34.5-169.900000113.7N260 D263 N269 V270 R271N260-G267 WeakPolarHBondContact O-CA 3.39Å; D263-G267 VanDerWaalsContact O-CA 3.24Å; D263-G267 WeakPolarHBondContact O-CA 3.4Å; D263-G267 PolarHBondContact O-N 3.22Å; G267-N269 VanDerWaalsContact C-N 3.32Å; G267-N269 PolarHBondContact O-N 2.95Å; G267-V270 PolarHBondContact O-N 3.15Å; G267-R271 WeakPolarHBondContact O-CG 3.14Å; G267-R271 PolarHBondContact O-N 3.21Å
268K89.3Confident89.2Confident157 Ų15768 Ų6868%0.68332%0.32SS*.Hα-helixtrans-60.1-41.2174.1-174.8178-179.6178.30112.3R266 K272R266-K268 VanDerWaalsContact C-N 3.29Å; R266-K268 PolarHBondContact O-N 3.22Å; K268-K272 WeakPolarHBondContact O-CB 3.4Å; K268-K272 PolarHBondContact O-N 3.14Å; K268-K272 VanDerWaalsContact O-N 3.09Å
269N91.3Very high89.6Confident90 Ų9067 Ų6748%0.48132%0.315SS..Hα-helixtrans-73-37.8179.5-168.950.1000111.4R266 G267 K272 M273R266-N269 PolarHBondContact O-N 2.82Å; G267-N269 VanDerWaalsContact C-N 3.32Å; G267-N269 PolarHBondContact O-N 2.95Å; N269-K272 PolarHBondContact O-N 2.63Å; N269-M273 WeakPolarHBondContact O-CG 3.26Å; N269-M273 PolarHBondContact O-N 2.87Å
270V92.1Very high90Very high1 Ų166.9 Ų66.91%0.00631%0.314CS..Hα-helixtrans-60.8-51.6174.8-178.10000110.6D258 V261 R266 G267 K272 M273 M274D258-V270 HydrophobicContact CB-CG2 3.91Å; D258-V270 VanDerWaalsContact O-CG1 3.32Å; D258-V270 WeakPolarHBondContact O-CG1 3.33Å; V261-V270 HydrophobicContact CG1-CB 4.46Å; V261-V270 HydrophobicContact CG1-CG1 3.84Å; R266-V270 PolarHBondContact O-N 2.83Å; R266-V270 VanDerWaalsContact O-N 3.13Å; G267-V270 PolarHBondContact O-N 3.15Å; V270-K272 VanDerWaalsContact C-N 3.33Å; V270-K272 PolarHBondContact O-N 2.94Å; V270-M273 PolarHBondContact O-N 2.9Å; V270-M274 HydrophobicContact CG1-CG 4.37Å; V270-M274 HydrophobicContact CG1-SD 3.97Å; V270-M274 VanDerWaalsContact O-CG 3.31Å; V270-M274 WeakPolarHBondContact O-CG 3.32Å; V270-M274 PolarHBondContact O-N 2.62Å
271R92.4Very high90.7Very high101 Ų10165.3 Ų65.338%0.38131%0.306SS..Hα-helixtrans-56.8-45.5177-69.2-171.4-54.1-984.7112.1V261 G267 M273 M274 E275V261-R271 HydrophobicContact CB-CG 4Å; V261-R271 HydrophobicContact CG1-CG 4.28Å; V261-R271 PolarHBondContact O-NH1 2.91Å; G267-R271 WeakPolarHBondContact O-CG 3.14Å; G267-R271 PolarHBondContact O-N 3.21Å; R271-M273 VanDerWaalsContact C-N 3.32Å; R271-M273 PolarHBondContact O-N 2.9Å; R271-M274 WeakPolarHBondContact O-CB 3.31Å; R271-M274 PolarHBondContact O-N 3.36Å; R271-M274 VanDerWaalsContact O-N 3.1Å; R271-E275 WeakPolarHBondContact O-CB 3.47Å; R271-E275 WeakPolarHBondContact O-CG 3.15Å; R271-E275 PolarHBondContact O-N 2.82Å
272K92.6Very high91.4Very high129 Ų12964.2 Ų64.256%0.56130%0.3SS*.Hα-helixtrans-55.6-47.1174.6-176.4-174.5174.3-1750111.8K268 N269 V270 M274 E275 Q276K268-K272 WeakPolarHBondContact O-CB 3.4Å; K268-K272 PolarHBondContact O-N 3.14Å; K268-K272 VanDerWaalsContact O-N 3.09Å; N269-K272 PolarHBondContact O-N 2.63Å; V270-K272 VanDerWaalsContact C-N 3.33Å; V270-K272 PolarHBondContact O-N 2.94Å; K272-M274 VanDerWaalsContact C-N 3.3Å; K272-M274 PolarHBondContact O-N 2.87Å; K272-E275 PolarHBondContact O-N 3.44Å; K272-Q276 VanDerWaalsContact O-CB 3.26Å; K272-Q276 WeakPolarHBondContact O-CB 3.29Å; K272-Q276 VanDerWaalsContact O-CG 3.25Å; K272-Q276 WeakPolarHBondContact O-CG 3.45Å; K272-Q276 PolarHBondContact O-N 3.02Å
273M95Very high92.1Very high25 Ų2561.6 Ų61.612%0.12328%0.279CS..Hα-helixtrans-68.4-28.2179.1-69.1-175.1-61.500113.3L48 Y49 W255 N269 V270 R271L48-M273 HydrophobicContact CD1-CB 4.23Å; L48-M273 HydrophobicContact CD1-CG 4.48Å; Y49-M273 HydrophobicContact CD2-SD 4.37Å; W255-M273 HydrophobicContact CB-CB 3.68Å; N269-M273 WeakPolarHBondContact O-CG 3.26Å; N269-M273 PolarHBondContact O-N 2.87Å; V270-M273 PolarHBondContact O-N 2.9Å; R271-M273 VanDerWaalsContact C-N 3.32Å; R271-M273 PolarHBondContact O-N 2.9Å
274M95.2Very high92.9Very high11 Ų1160.2 Ų60.25%0.05427%0.271CS..Hα-helixtrans-70-44.4174.3-70.6172.270.500111.7R254 W255 V261 V270 R271 K272 T286 F316 L319R254-M274 PolarHBondContact NH2-O 3.19Å; W255-M274 HydrophobicContact CD2-CB 4.46Å; W255-M274 HydrophobicContact CD2-CG 3.5Å; W255-M274 VanDerWaalsContact CD2-CG 3.5Å; W255-M274 VanDerWaalsContact CE2-CG 3.49Å; W255-M274 HydrophobicContact CE3-CB 4.31Å; W255-M274 HydrophobicContact CE3-CG 3.74Å; W255-M274 HydrophobicContact CG-CG 4.03Å; W255-M274 HydrophobicContact CH2-CE 3.98Å; W255-M274 HydrophobicContact CH2-CG 3.99Å; W255-M274 HydrophobicContact CZ2-CE 3.95Å; W255-M274 HydrophobicContact CZ2-CG 3.76Å; W255-M274 HydrophobicContact CZ2-SD 4.07Å; W255-M274 HydrophobicContact CZ3-CG 3.98Å; V261-M274 HydrophobicContact CG1-SD 3.64Å; V270-M274 HydrophobicContact CG1-CG 4.37Å; V270-M274 HydrophobicContact CG1-SD 3.97Å; V270-M274 VanDerWaalsContact O-CG 3.31Å; V270-M274 WeakPolarHBondContact O-CG 3.32Å; V270-M274 PolarHBondContact O-N 2.62Å; R271-M274 WeakPolarHBondContact O-CB 3.31Å; R271-M274 PolarHBondContact O-N 3.36Å; R271-M274 VanDerWaalsContact O-N 3.1Å; K272-M274 VanDerWaalsContact C-N 3.3Å; K272-M274 PolarHBondContact O-N 2.87Å; M274-T286 HydrophobicContact CB-CG2 4.24Å; M274-T286 HydrophobicContact CE-CG2 4.5Å; M274-F316 HydrophobicContact CE-CD1 4.19Å; M274-F316 HydrophobicContact CE-CE1 4.05Å; M274-L319 HydrophobicContact CE-CD1 3.61Å
275E93.2Very high93.6Very high93 Ų9356 Ų5644%0.43524%0.243SC..Hα-helixtrans-86-23-172.5-68163.6-177.700113.5H207 R271 K272 F283H207-E275 IonicContact NE2-OE2 3.87Å; R271-E275 WeakPolarHBondContact O-CB 3.47Å; R271-E275 WeakPolarHBondContact O-CG 3.15Å; R271-E275 PolarHBondContact O-N 2.82Å; K272-E275 PolarHBondContact O-N 3.44Å; E275-F283 WeakPolarHBondContact O-CD1 3.2Å
276Q95.4Very high94.2Very high58 Ų5847.5 Ų47.527%0.27121%0.212SC..SBendtrans-75.8169.8177.574.4179.336.200112.7L48 K272L48-Q276 HydrophobicContact CD1-CG 4.36Å; L48-Q276 VanDerWaalsContact CD1-NE2 3.32Å; K272-Q276 VanDerWaalsContact O-CB 3.26Å; K272-Q276 WeakPolarHBondContact O-CB 3.29Å; K272-Q276 VanDerWaalsContact O-CG 3.25Å; K272-Q276 WeakPolarHBondContact O-CG 3.45Å; K272-Q276 PolarHBondContact O-N 3.02Å
277E97.8Very high94.8Very high61 Ų6142.1 Ų42.129%0.28520%0.198SC..  trans-60.4146.5172.366.9-167.8-168.800112.7F46 R138 L282 F283F46-E277 HydrophobicContact CD1-CG 4.35Å; F46-E277 WeakPolarHBondContact CD1-OE1 3.2Å; R138-E277 IonicContact CZ-OE2 3.78Å; R138-E277 IonicContact NH2-OE2 3.65Å; R138-E277 PolarHBondContact NH2-OE2 3.29Å; E277-L282 CarbonylContact C-O 3.59Å; E277-L282 WeakPolarHBondContact CA-O 3.3Å; E277-F283 HydrophobicContact CB-CD2 4.4Å; E277-F283 HydrophobicContact CB-CE1 4.21Å; E277-F283 HydrophobicContact CB-CE2 3.96Å; E277-F283 HydrophobicContact CB-CZ 3.84Å
278N97.9Very high95.2Very high0 Ų042.4 Ų42.40%020%0.199CC..  trans-82.6-172.3178.880.9-11000113L48 V244 N245 F280 G281 L282L48-N278 HydrophobicContact CD2-CB 3.99Å; V244-N278 PolarHBondContact O-ND2 2.92Å; N245-N278 PolarHBondContact O-ND2 3.2Å; N245-N278 VanDerWaalsContact O-ND2 3.16Å; N278-F280 PolarHBondContact O-N 3.25Å; N278-F280 WeakPolarHBondContact OD1-CA 3.33Å; N278-F280 PolarHBondContact OD1-N 3.09Å; N278-G281 PolarHBondContact O-N 2.93Å; N278-G281 PolarHBondContact OD1-N 2.91Å; N278-G281 VanDerWaalsContact OD1-N 3.16Å; N278-L282 PolarHBondContact N-O 3.03Å; N278-L282 PolarHBondContact OD1-N 2.79Å
279M97.4Very high95.4Very high0 Ų039.6 Ų39.60%019%0.188CC..THydrogen-bonded Turntrans-62.1-12.1-179.969.2-67.8-69.800114.8F46 L48 I51 C53 A247 R254F46-M279 WeakPolarHBondContact CB-O 3.34Å; L48-M279 HydrophobicContact CB-CB 4.27Å; L48-M279 HydrophobicContact CD2-CE 4.47Å; I51-M279 HydrophobicContact CB-CB 3.93Å; I51-M279 HydrophobicContact CB-CG 4.27Å; I51-M279 HydrophobicContact CD1-CE 4.28Å; I51-M279 HydrophobicContact CG2-CB 3.8Å; I51-M279 HydrophobicContact CG2-CG 3.78Å; I51-M279 WeakPolarHBondContact O-CB 3.35Å; C53-M279 WeakPolarHBondContact CB-O 3.13Å; A247-M279 HydrophobicContact CB-CE 4.19Å; A247-M279 HydrophobicContact CB-CG 3.7Å; A247-M279 HydrophobicContact CB-SD 3.84Å; R254-M279 HydrophobicContact CB-CE 4.2Å
280F98.3Very high95.6Very high0 Ų036.3 Ų36.30%017%0.169CC..THydrogen-bonded Turntrans-110.42.7174.3-64.7-52.3000112.8W9 C53 V66 I68 Y243 A247 N278W9-F280 AromaticContact CE2-CE1 4Å; W9-F280 HydrophobicContact CH2-CZ 4.26Å; W9-F280 HydrophobicContact CZ2-CE1 4Å; W9-F280 HydrophobicContact CZ2-CZ 4.15Å; C53-F280 HydrophobicContact CB-CD1 3.8Å; C53-F280 HydrophobicContact CB-CE1 4.04Å; V66-F280 WeakPolarHBondContact CG1-O 3.47Å; I68-F280 HydrophobicContact CD1-CB 3.76Å; I68-F280 HydrophobicContact CD1-CD2 4.1Å; I68-F280 HydrophobicContact CD1-CG 4.02Å; I68-F280 HydrophobicContact CG1-CB 4.05Å; I68-F280 HydrophobicContact CG1-CG 4.22Å; I68-F280 HydrophobicContact CG2-CD1 4.04Å; I68-F280 HydrophobicContact CG2-CD2 4.04Å; I68-F280 HydrophobicContact CG2-CE1 4.03Å; I68-F280 HydrophobicContact CG2-CE2 4.01Å; I68-F280 HydrophobicContact CG2-CG 4.05Å; I68-F280 HydrophobicContact CG2-CZ 4.01Å; Y243-F280 HydrophobicContact CE1-CE2 4.2Å; Y243-F280 HydrophobicContact CE1-CZ 4.11Å; Y243-F280 AromaticContact CZ-CZ 3.92Å; A247-F280 HydrophobicContact CB-CE2 3.61Å; A247-F280 HydrophobicContact CB-CZ 3.76Å; N278-F280 PolarHBondContact O-N 3.25Å; N278-F280 WeakPolarHBondContact OD1-CA 3.33Å; N278-F280 PolarHBondContact OD1-N 3.09Å
281G98.4Very high95.8Very high0 Ų036.5 Ų36.50%017%0.17CC..SBendtrans8316.3-178.900000114.9F46 R138 N278F46-G281 VanDerWaalsContact CD1-CA 3.41Å; F46-G281 VanDerWaalsContact CE1-CA 3.48Å; R138-G281 PolarHBondContact NE-O 3.22Å; N278-G281 PolarHBondContact O-N 2.93Å; N278-G281 PolarHBondContact OD1-N 2.91Å; N278-G281 VanDerWaalsContact OD1-N 3.16Å
282L98.8Very high96.1Very high0 Ų031.7 Ų31.70%015%0.152CC..  trans-96.3148.5176.9-55.8-173.8000112V66 I68 V136 R138 V244 E277 N278 F284V66-L282 HydrophobicContact CB-CD2 4.34Å; I68-L282 HydrophobicContact CD1-CD1 3.64Å; I68-L282 HydrophobicContact CD1-CD2 4.34Å; I68-L282 HydrophobicContact CD1-CG 4.04Å; V136-L282 HydrophobicContact CB-CD1 4.29Å; V136-L282 HydrophobicContact CB-CD2 4.22Å; V136-L282 HydrophobicContact CG1-CD1 3.78Å; V136-L282 HydrophobicContact CG1-CD2 4.17Å; R138-L282 HydrophobicContact CG-CD2 4.47Å; V244-L282 HydrophobicContact CB-CD1 3.79Å; V244-L282 HydrophobicContact CG2-CD1 4.01Å; E277-L282 CarbonylContact C-O 3.59Å; E277-L282 WeakPolarHBondContact CA-O 3.3Å; N278-L282 PolarHBondContact N-O 3.03Å; N278-L282 PolarHBondContact OD1-N 2.79Å; L282-F284 HydrophobicContact CB-CD2 4.43Å; L282-F284 HydrophobicContact CB-CE2 3.74Å; L282-F284 HydrophobicContact CB-CZ 4.35Å; L282-F284 HydrophobicContact CD1-CE2 4.14Å; L282-F284 HydrophobicContact CD1-CZ 3.99Å
283F97.8Very high96.3Very high54 Ų5425.7 Ų25.724%0.23713%0.126CC..  trans-103139.2170.1-67.7-92.3000110.7R138 H139 E275 E277 R343R138-F283 PolarHBondContact O-N 2.76Å; H139-F283 AromaticContact CE1-CD2 3.17Å; H139-F283 WeakPolarHBondContact CE1-CD2 3.31Å; H139-F283 AromaticContact CE1-CE2 3.66Å; H139-F283 AromaticContact CE1-CG 3.47Å; H139-F283 VanDerWaalsContact CE1-CG 3.47Å; H139-F283 WeakPolarHBondContact CE1-CG 3.37Å; H139-F283 AromaticContact ND1-CD2 3.89Å; H139-F283 AromaticContact ND1-CG 3.92Å; H139-F283 AromaticContact NE2-CD2 3.26Å; H139-F283 VanDerWaalsContact NE2-CD2 3.26Å; H139-F283 WeakPolarHBondContact NE2-CD2 3.17Å; H139-F283 AromaticContact NE2-CE2 3.55Å; E275-F283 WeakPolarHBondContact O-CD1 3.2Å; E277-F283 HydrophobicContact CB-CD2 4.4Å; E277-F283 HydrophobicContact CB-CE1 4.21Å; E277-F283 HydrophobicContact CB-CE2 3.96Å; E277-F283 HydrophobicContact CB-CZ 3.84Å; F283-R343 PolarHBondContact O-NH1 2.66Å; F283-R343 PolarHBondContact O-NH2 2.92Å
284F97.5Very high96.3Very high12 Ų1224.6 Ų24.65%0.05312%0.12CC..  trans-125.6139.8176.2-70.4-90000109.6W241 V244 N245 L282 T286W241-F284 HydrophobicContact CD2-CE1 4.46Å; W241-F284 AromaticContact CE2-CE1 3.75Å; W241-F284 HydrophobicContact CH2-CD1 4.48Å; W241-F284 AromaticContact CZ2-CD1 3.68Å; W241-F284 HydrophobicContact CZ2-CD1 3.68Å; W241-F284 AromaticContact CZ2-CE1 3.88Å; W241-F284 HydrophobicContact CZ2-CE1 3.88Å; W241-F284 AromaticContact NE1-CE1 3.72Å; V244-F284 HydrophobicContact CG2-CZ 4.01Å; N245-F284 HydrophobicContact CB-CE1 3.97Å; N245-F284 HydrophobicContact CB-CE2 4.09Å; N245-F284 HydrophobicContact CB-CZ 3.74Å; N245-F284 WeakPolarHBondContact ND2-CD1 3.42Å; N245-F284 WeakPolarHBondContact ND2-CE1 3.49Å; N245-F284 VanDerWaalsContact ND2-CG 3.27Å; N245-F284 WeakPolarHBondContact ND2-CG 2.99Å; L282-F284 HydrophobicContact CB-CD2 4.43Å; L282-F284 HydrophobicContact CB-CE2 3.74Å; L282-F284 HydrophobicContact CB-CZ 4.35Å; L282-F284 HydrophobicContact CD1-CE2 4.14Å; L282-F284 HydrophobicContact CD1-CZ 3.99Å; F284-T286 PolarHBondContact O-N 2.8Å
285D95.7Very high96.3Very high26 Ų2625.8 Ų25.814%0.13913%0.126CC..  trans-61.2135.5176.3-173.5100.8000110.4S287 R290 L302 L341D285-S287 VanDerWaalsContact CG-OG 3.28Å; D285-S287 PolarHBondContact OD1-OG 3.02Å; D285-S287 WeakPolarHBondContact OD2-CB 3.33Å; D285-S287 PolarHBondContact OD2-N 2.87Å; D285-S287 PolarHBondContact OD2-OG 2.92Å; D285-R290 IonicContact OD1-CZ 2.92Å; D285-R290 IonicContact OD1-NE 2.74Å; D285-R290 IonicContact OD1-NH2 3.26Å; D285-R290 PolarHBondContact OD1-NH2 3.46Å; D285-L302 HydrophobicContact CB-CD1 3.97Å; D285-L341 HydrophobicContact CB-CD1 3.53Å
286T94.7Very high96.3Very high30 Ų3025.5 Ų25.518%0.18413%0.127CC..  trans-125.48177.856.60000112.1R254 M274 F284 M288 L319R254-T286 VanDerWaalsContact NH2-CG2 3.27Å; M274-T286 HydrophobicContact CB-CG2 4.24Å; M274-T286 HydrophobicContact CE-CG2 4.5Å; F284-T286 PolarHBondContact O-N 2.8Å; T286-M288 VanDerWaalsContact C-N 3.29Å; T286-M288 PolarHBondContact O-N 3.03Å; T286-L319 HydrophobicContact CG2-CD1 4.33Å
287S93.2Very high96.1Very high37 Ų3724.4 Ų24.426%0.25913%0.125SC..SBendtrans-70.4-29.7-179.870.50000111.7D285 E289D285-S287 VanDerWaalsContact CG-OG 3.28Å; D285-S287 PolarHBondContact OD1-OG 3.02Å; D285-S287 WeakPolarHBondContact OD2-CB 3.33Å; D285-S287 PolarHBondContact OD2-N 2.87Å; D285-S287 PolarHBondContact OD2-OG 2.92Å; S287-E289 WeakPolarHBondContact OG-CB 3.47Å; S287-E289 PolarHBondContact OG-N 3.5Å; S287-E289 VanDerWaalsContact OG-N 3.13Å
288M94.7Very high95.7Very high5 Ų522.8 Ų22.83%0.02513%0.125CC..SBendtrans6229.6-170.2-60.9-179.8-81.700112.9T286 T303 N304 K305 K306 F316 L319T286-M288 VanDerWaalsContact C-N 3.29Å; T286-M288 PolarHBondContact O-N 3.03Å; M288-T303 CarbonylContact C-O 3.6Å; M288-T303 VanDerWaalsContact CA-O 3.29Å; M288-T303 WeakPolarHBondContact CA-O 2.81Å; M288-T303 HydrophobicContact CB-CG2 3.72Å; M288-T303 HydrophobicContact CG-CG2 3.96Å; M288-T303 HydrophobicContact SD-CG2 4.43Å; M288-N304 CarbonylContact O-C 3.56Å; M288-N304 WeakPolarHBondContact O-CA 3.43Å; M288-K305 PolarHBondContact O-N 2.71Å; M288-K306 HydrophobicContact CB-CB 4.32Å; M288-K306 HydrophobicContact CE-CD 3.95Å; M288-K306 HydrophobicContact CE-CG 3.83Å; M288-K306 HydrophobicContact SD-CG 4.46Å; M288-F316 HydrophobicContact CE-CD1 4.33Å; M288-F316 HydrophobicContact CE-CE1 4.27Å; M288-L319 HydrophobicContact CE-CD1 4.46Å; M288-L319 HydrophobicContact CG-CD1 4.36Å; M288-L319 HydrophobicContact CG-CD2 3.6Å; M288-L319 HydrophobicContact CG-CG 3.96Å; M288-L319 HydrophobicContact SD-CD1 4.37Å; M288-L319 HydrophobicContact SD-CD2 4.36Å; M288-L319 HydrophobicContact SD-CG 4.06Å
289E94.2Very high95.6Very high99 Ų9924.3 Ų24.346%0.46313%0.134SC..SBendtrans-104.3-11.7177.1-60.3179.717200112S287 N304S287-E289 WeakPolarHBondContact OG-CB 3.47Å; S287-E289 PolarHBondContact OG-N 3.5Å; S287-E289 VanDerWaalsContact OG-N 3.13Å; E289-N304 VanDerWaalsContact C-CA 3.45Å; E289-N304 VanDerWaalsContact O-CB 3.22Å; E289-N304 WeakPolarHBondContact O-CB 3.4Å
290R95.7Very high95.5Very high21 Ų2124.3 Ų24.38%0.07913%0.134CC..EExtended strand (participates in β ladder)trans-139.6143.8-175.4-65.7177.5-68.9-160.4-6112.7E203 D285 L302 T303 P337 S338 N339 L341E203-R290 VanDerWaalsContact CD-NH1 3.34Å; E203-R290 IonicContact OE1-CZ 2.71Å; E203-R290 IonicContact OE1-NH1 3.3Å; E203-R290 PolarHBondContact OE1-NH1 2.79Å; E203-R290 VanDerWaalsContact OE1-NH1 3.13Å; E203-R290 IonicContact OE1-NH2 2.59Å; E203-R290 PolarHBondContact OE1-NH2 3.11Å; E203-R290 IonicContact OE2-CZ 3.18Å; E203-R290 IonicContact OE2-NH1 2.7Å; E203-R290 PolarHBondContact OE2-NH1 3.5Å; E203-R290 IonicContact OE2-NH2 2.64Å; D285-R290 IonicContact OD1-CZ 2.92Å; D285-R290 IonicContact OD1-NE 2.74Å; D285-R290 IonicContact OD1-NH2 3.26Å; D285-R290 PolarHBondContact OD1-NH2 3.46Å; R290-L302 WeakPolarHBondContact O-CB 3.1Å; R290-T303 CarbonylContact C-O 3.59Å; R290-T303 PolarHBondContact N-O 2.83Å; R290-T303 VanDerWaalsContact O-O 3.08Å; R290-P337 VanDerWaalsContact CD-O 3.31Å; R290-P337 WeakPolarHBondContact CD-O 3.28Å; R290-S338 VanDerWaalsContact CG-O 3.23Å; R290-S338 WeakPolarHBondContact CG-O 3.27Å; R290-N339 CarbonylContact C-O 3.51Å; R290-N339 VanDerWaalsContact CA-O 3.32Å; R290-N339 WeakPolarHBondContact CA-O 3.32Å; R290-L341 HydrophobicContact CB-CD1 4.08Å; R290-L341 HydrophobicContact CB-CG 3.91Å; R290-L341 HydrophobicContact CG-CG 4.47Å
291F96.6Very high95.4Very high4 Ų424.4 Ų24.42%0.01814%0.135CC..EExtended strand (participates in β ladder)trans-79.2150.9163-58-65.3000110.6L300 K301 N304 N325 T327 N339 Y340 L341F291-L300 HydrophobicContact CB-CB 4.2Å; F291-L300 HydrophobicContact CB-CD1 4.12Å; F291-L300 HydrophobicContact CB-CD2 4.29Å; F291-L300 HydrophobicContact CB-CG 4.44Å; F291-L300 HydrophobicContact CD1-CB 4.23Å; F291-L300 HydrophobicContact CD1-CD1 4.22Å; F291-L300 HydrophobicContact CD2-CD1 3.95Å; F291-L300 HydrophobicContact CE2-CD1 4.39Å; F291-L300 HydrophobicContact CG-CB 4.33Å; F291-L300 HydrophobicContact CG-CD1 3.83Å; F291-K301 CarbonylContact C-O 3.55Å; F291-K301 WeakPolarHBondContact CA-O 3.21Å; F291-N304 HydrophobicContact CD2-CB 4.13Å; F291-N304 HydrophobicContact CE1-CB 4.48Å; F291-N304 HydrophobicContact CE2-CB 3.86Å; F291-N304 WeakPolarHBondContact CE2-ND2 3.16Å; F291-N304 WeakPolarHBondContact CE2-OD1 3.43Å; F291-N304 HydrophobicContact CZ-CB 4.06Å; F291-N304 WeakPolarHBondContact CZ-OD1 3.06Å; F291-N325 WeakPolarHBondContact CE1-ND2 3.49Å; F291-T327 HydrophobicContact CE2-CG2 4.3Å; F291-T327 HydrophobicContact CZ-CG2 3.96Å; F291-N339 PolarHBondContact N-O 3.15Å; F291-Y340 HydrophobicContact CB-CD1 4.05Å; F291-Y340 HydrophobicContact CB-CE1 4.31Å; F291-Y340 HydrophobicContact CD2-CD1 4.18Å; F291-Y340 AromaticContact CD2-CE1 3.73Å; F291-Y340 HydrophobicContact CD2-CE1 3.73Å; F291-Y340 HydrophobicContact CG-CE1 4.45Å; F291-Y340 CarbonylContact O-C 3.56Å; F291-Y340 WeakPolarHBondContact O-CA 3.41Å; F291-L341 PolarHBondContact O-N 3.25Å
292E97.6Very high95.3Very high1 Ų124.4 Ų24.41%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-103.2122.9163.7-162.5173.4140.200109.4A140 W241 K301 L302 L341 R343A140-E292 HydrophobicContact CB-CG 4.42Å; W241-E292 PolarHBondContact NE1-OE1 3.45Å; W241-E292 PolarHBondContact NE1-OE2 3.12Å; E292-K301 PolarHBondContact N-O 2.93Å; E292-K301 PolarHBondContact O-N 2.89Å; E292-L302 HydrophobicContact CB-CD1 4.15Å; E292-L341 HydrophobicContact CB-CB 4.33Å; E292-L341 HydrophobicContact CG-CB 4.14Å; E292-R343 WeakPolarHBondContact OE1-CB 3.31Å; E292-R343 IonicContact OE1-CZ 3.02Å; E292-R343 IonicContact OE1-NE 2.96Å; E292-R343 PolarHBondContact OE1-NE 2.79Å; E292-R343 IonicContact OE1-NH2 3.49Å; E292-R343 IonicContact OE2-NE 3.92Å; E292-R343 IonicContact OE2-NH2 2.79Å; E292-R343 PolarHBondContact OE2-NH2 3.43Å
293I96.5Very high95.1Very high3 Ų325 Ų252%0.01514%0.138CC..EExtended strand (participates in β ladder)trans-73.6137.2-177.9-59.9172.6000109.9Y221 L224 L235 L300 L335 Y340 L341Y221-I293 HydrophobicContact CD2-CG2 3.73Å; Y221-I293 HydrophobicContact CE2-CG2 3.74Å; L224-I293 HydrophobicContact CD2-CD1 4.43Å; L235-I293 HydrophobicContact CD1-CG2 3.84Å; I293-L300 HydrophobicContact CG1-CD2 4.18Å; I293-L335 HydrophobicContact CD1-CD1 3.58Å; I293-L335 HydrophobicContact CD1-CD2 4.03Å; I293-L335 HydrophobicContact CD1-CG 4.34Å; I293-Y340 HydrophobicContact CD1-CD1 4.17Å; I293-Y340 HydrophobicContact CD1-CG 4.28Å; I293-Y340 HydrophobicContact CG1-CD1 3.96Å; I293-Y340 HydrophobicContact CG1-CG 4.49Å; I293-L341 WeakPolarHBondContact CG1-O 3.48Å; I293-L341 PolarHBondContact N-O 3.15Å
294T96.2Very high94.8Very high1 Ų125.3 Ų25.31%0.00614%0.143CC..  trans-107.4177.4173.378.60000112.2L235 L236 D296 V299 K301L235-T294 WeakPolarHBondContact CD1-O 3.21Å; L236-T294 CarbonylContact O-C 3.53Å; L236-T294 VanDerWaalsContact O-CA 3.27Å; L236-T294 WeakPolarHBondContact O-CA 3.16Å; L236-T294 WeakPolarHBondContact O-CB 3.43Å; T294-D296 PolarHBondContact O-N 3.19Å; T294-D296 PolarHBondContact OG1-N 2.79Å; T294-D296 PolarHBondContact OG1-O 3.27Å; T294-D296 VanDerWaalsContact OG1-O 3.1Å; T294-V299 WeakPolarHBondContact CB-O 3.34Å; T294-V299 HydrophobicContact CG2-CG1 4.46Å; T294-V299 WeakPolarHBondContact CG2-O 3.45Å; T294-V299 PolarHBondContact OG1-O 3.44Å; T294-K301 HydrophobicContact CG2-CD 4.39Å; T294-K301 HydrophobicContact CG2-CG 3.73Å
295E95.2Very high94.4Very high36 Ų3629.5 Ų29.517%0.16816%0.161CC..SBendtrans-61.4-18.8174.7-177.659.3-16600113.6Y221 R225 R229 L235 L236 T237Y221-E295 PolarHBondContact OH-O 3.19Å; R225-E295 IonicContact CZ-OE1 2.79Å; R225-E295 IonicContact NE-OE1 3.13Å; R225-E295 PolarHBondContact NE-OE1 3.32Å; R225-E295 IonicContact NE-OE2 3.64Å; R225-E295 PolarHBondContact NE-OE2 3.14Å; R225-E295 IonicContact NH2-OE1 3.64Å; R225-E295 PolarHBondContact NH2-OE1 3.08Å; R229-E295 IonicContact CZ-OE1 3.66Å; R229-E295 IonicContact NH2-OE1 3.98Å; R229-E295 PolarHBondContact NH2-OE1 3.35Å; R229-E295 IonicContact NH2-OE2 2.71Å; L235-E295 HydrophobicContact CB-CB 4.27Å; L236-E295 PolarHBondContact O-N 2.97Å; T237-E295 HydrophobicContact CG2-CB 4.05Å; T237-E295 HydrophobicContact CG2-CG 4.3Å
296D93.2Very high93.9Very high88 Ų8833.3 Ų33.347%0.47118%0.176SC..SBendtrans-104.6119.8169.4-170.2-29.5000109.5T294 G298 V299T294-D296 PolarHBondContact O-N 3.19Å; T294-D296 PolarHBondContact OG1-N 2.79Å; T294-D296 PolarHBondContact OG1-O 3.27Å; T294-D296 VanDerWaalsContact OG1-O 3.1Å; D296-G298 PolarHBondContact O-N 2.9Å; D296-G298 VanDerWaalsContact O-N 3.15Å; D296-G298 PolarHBondContact OD1-N 3.49Å; D296-V299 HydrophobicContact CB-CB 4.18Å; D296-V299 HydrophobicContact CB-CG2 3.98Å; D296-V299 PolarHBondContact O-N 2.55Å
297P89.8Confident93.2Very high34 Ų3432.9 Ų32.922%0.22117%0.173CC..THydrogen-bonded Turntrans-63.2-18.8178.726.9-34.3000113.6Y221 V299 M329Y221-P297 HydrophobicContact CD1-CB 3.79Å; Y221-P297 HydrophobicContact CD1-CG 4.13Å; Y221-P297 HydrophobicContact CD2-CB 4.12Å; Y221-P297 HydrophobicContact CE1-CB 3.81Å; Y221-P297 HydrophobicContact CE1-CG 3.79Å; Y221-P297 HydrophobicContact CE2-CB 4.1Å; Y221-P297 HydrophobicContact CG-CB 3.95Å; P297-V299 VanDerWaalsContact C-N 3.28Å; P297-M329 HydrophobicContact CB-CE 3.6Å; P297-M329 WeakPolarHBondContact O-CB 3.34Å
298G90.9Very high92.8Very high28 Ų2837.1 Ų37.129%0.28919%0.188SC..THydrogen-bonded Turntrans-79.3-8.2173.100000114.2D296D296-G298 PolarHBondContact O-N 2.9Å; D296-G298 VanDerWaalsContact O-N 3.15Å; D296-G298 PolarHBondContact OD1-N 3.49Å
299V94.5Very high92.5Very high32 Ų3236.9 Ų36.919%0.19419%0.187CC..  trans-121.2109.2-175.9-174.90000110.3E238 T294 D296 P297E238-V299 HydrophobicContact CB-CG1 3.98Å; E238-V299 HydrophobicContact CG-CG1 4.24Å; T294-V299 WeakPolarHBondContact CB-O 3.34Å; T294-V299 HydrophobicContact CG2-CG1 4.46Å; T294-V299 WeakPolarHBondContact CG2-O 3.45Å; T294-V299 PolarHBondContact OG1-O 3.44Å; D296-V299 HydrophobicContact CB-CB 4.18Å; D296-V299 HydrophobicContact CB-CG2 3.98Å; D296-V299 PolarHBondContact O-N 2.55Å; P297-V299 VanDerWaalsContact C-N 3.28Å
300L95.3Very high92.3Very high0 Ų032.2 Ų32.20%017%0.166CC..EExtended strand (participates in β ladder)trans-109142.4174.6-63.9176.5000109.8F291 I293 N325 T327 M329 Y340F291-L300 HydrophobicContact CB-CB 4.2Å; F291-L300 HydrophobicContact CB-CD1 4.12Å; F291-L300 HydrophobicContact CB-CD2 4.29Å; F291-L300 HydrophobicContact CB-CG 4.44Å; F291-L300 HydrophobicContact CD1-CB 4.23Å; F291-L300 HydrophobicContact CD1-CD1 4.22Å; F291-L300 HydrophobicContact CD2-CD1 3.95Å; F291-L300 HydrophobicContact CE2-CD1 4.39Å; F291-L300 HydrophobicContact CG-CB 4.33Å; F291-L300 HydrophobicContact CG-CD1 3.83Å; I293-L300 HydrophobicContact CG1-CD2 4.18Å; L300-N325 WeakPolarHBondContact O-CB 3.46Å; L300-T327 HydrophobicContact CD1-CG2 4.35Å; L300-M329 HydrophobicContact CD1-CB 4.42Å; L300-Y340 HydrophobicContact CD1-CE1 4.13Å; L300-Y340 HydrophobicContact CD2-CE1 4.45Å
301K97Very high92Very high1 Ų131.2 Ų31.20%0.00416%0.162CC..EExtended strand (participates in β ladder)trans-103.5164170.2-52.2-57.5-79.6-177.50109.8E238 W241 E242 F291 E292 T294 Y323E238-K301 HydrophobicContact CG-CD 4.33Å; E238-K301 IonicContact OE1-NZ 2.8Å; E238-K301 PolarHBondContact OE1-NZ 3.21Å; W241-K301 HydrophobicContact CB-CG 4.38Å; W241-K301 HydrophobicContact CD2-CB 3.84Å; W241-K301 HydrophobicContact CD2-CD 4.48Å; W241-K301 HydrophobicContact CD2-CG 3.59Å; W241-K301 HydrophobicContact CE3-CB 4.04Å; W241-K301 HydrophobicContact CE3-CD 4.2Å; W241-K301 VanDerWaalsContact CE3-CE 3.5Å; W241-K301 HydrophobicContact CE3-CG 3.77Å; W241-K301 HydrophobicContact CG-CB 4.44Å; W241-K301 HydrophobicContact CG-CG 3.86Å; W241-K301 HydrophobicContact CH2-CB 3.98Å; W241-K301 HydrophobicContact CZ2-CB 3.77Å; W241-K301 HydrophobicContact CZ2-CG 4.47Å; W241-K301 HydrophobicContact CZ3-CB 4.11Å; W241-K301 HydrophobicContact CZ3-CG 4.29Å; E242-K301 IonicContact OE1-NZ 3.13Å; E242-K301 PolarHBondContact OE1-NZ 3.21Å; F291-K301 CarbonylContact C-O 3.55Å; F291-K301 WeakPolarHBondContact CA-O 3.21Å; E292-K301 PolarHBondContact N-O 2.93Å; E292-K301 PolarHBondContact O-N 2.89Å; T294-K301 HydrophobicContact CG2-CD 4.39Å; T294-K301 HydrophobicContact CG2-CG 3.73Å; K301-Y323 WeakPolarHBondContact CE-O 3.42Å; K301-Y323 PolarHBondContact NZ-O 2.92Å
302L96.3Very high91.8Very high1 Ų131.1 Ų31.11%0.00516%0.162CC..EExtended strand (participates in β ladder)trans61.1-162.7-173-49.2175.3000112.1W241 D285 R290 E292 L319 N325W241-L302 HydrophobicContact CH2-CD2 3.93Å; W241-L302 HydrophobicContact CH2-CG 4.4Å; W241-L302 HydrophobicContact CZ2-CD2 3.97Å; W241-L302 HydrophobicContact CZ2-CG 4.05Å; D285-L302 HydrophobicContact CB-CD1 3.97Å; R290-L302 WeakPolarHBondContact O-CB 3.1Å; E292-L302 HydrophobicContact CB-CD1 4.15Å; L302-L319 HydrophobicContact CD2-CD2 4.18Å; L302-N325 PolarHBondContact O-ND2 3.48Å
303T94.6Very high91.6Very high11 Ų1131.1 Ų31.17%0.06716%0.162CC..EExtended strand (participates in β ladder)trans-146.9152.8177.2-172.10000109.9M288 R290 K305 P318M288-T303 CarbonylContact C-O 3.6Å; M288-T303 VanDerWaalsContact CA-O 3.29Å; M288-T303 WeakPolarHBondContact CA-O 2.81Å; M288-T303 HydrophobicContact CB-CG2 3.72Å; M288-T303 HydrophobicContact CG-CG2 3.96Å; M288-T303 HydrophobicContact SD-CG2 4.43Å; R290-T303 CarbonylContact C-O 3.59Å; R290-T303 PolarHBondContact N-O 2.83Å; R290-T303 VanDerWaalsContact O-O 3.08Å; T303-K305 VanDerWaalsContact CG2-O 3.31Å; T303-K305 WeakPolarHBondContact CG2-O 3.21Å; T303-K305 PolarHBondContact OG1-N 3.2Å; T303-K305 VanDerWaalsContact OG1-N 3.14Å; T303-K305 PolarHBondContact OG1-O 2.84Å; T303-P318 HydrophobicContact CG2-CB 3.34Å; T303-P318 HydrophobicContact CG2-CG 3.79Å
304N91.9Very high91.4Very high62 Ų6231.3 Ų31.333%0.33216%0.163SC..SBendtrans-100.84167.475.2-18.9000113.7M288 E289 F291M288-N304 CarbonylContact O-C 3.56Å; M288-N304 WeakPolarHBondContact O-CA 3.43Å; E289-N304 VanDerWaalsContact C-CA 3.45Å; E289-N304 VanDerWaalsContact O-CB 3.22Å; E289-N304 WeakPolarHBondContact O-CB 3.4Å; F291-N304 HydrophobicContact CD2-CB 4.13Å; F291-N304 HydrophobicContact CE1-CB 4.48Å; F291-N304 HydrophobicContact CE2-CB 3.86Å; F291-N304 WeakPolarHBondContact CE2-ND2 3.16Å; F291-N304 WeakPolarHBondContact CE2-OD1 3.43Å; F291-N304 HydrophobicContact CZ-CB 4.06Å; F291-N304 WeakPolarHBondContact CZ-OD1 3.06Å
305K88Confident91.3Very high100 Ų10032.2 Ų32.244%0.43517%0.168SC..SBendtrans-122.3110179-175.5-176.5174.4-166.10108.6E102 M288 T303E102-K305 IonicContact OE1-NZ 3.63Å; E102-K305 PolarHBondContact OE1-NZ 3.46Å; E102-K305 IonicContact OE2-NZ 3.21Å; E102-K305 PolarHBondContact OE2-NZ 3.12Å; M288-K305 PolarHBondContact O-N 2.71Å; T303-K305 VanDerWaalsContact CG2-O 3.31Å; T303-K305 WeakPolarHBondContact CG2-O 3.21Å; T303-K305 PolarHBondContact OG1-N 3.2Å; T303-K305 VanDerWaalsContact OG1-N 3.14Å; T303-K305 PolarHBondContact OG1-O 2.84Å
306K86.4Confident91.2Very high105 Ų10531.8 Ų31.846%0.45717%0.165SC..  trans-72.5127.6172.7-171.3167.7-176.6174.10110.1M288M288-K306 HydrophobicContact CB-CB 4.32Å; M288-K306 HydrophobicContact CE-CD 3.95Å; M288-K306 HydrophobicContact CE-CG 3.83Å; M288-K306 HydrophobicContact SD-CG 4.46Å
307N79.5Confident91.3Very high22 Ų2228 Ų2812%0.11815%0.145CC..  trans-83.3142.6171.7-72.2-29.2000110V309N307-V309 HydrophobicContact CB-CG2 4.19Å
308H84.6Confident91.6Very high125 Ų12526.4 Ų26.458%0.57914%0.135SC*.  trans-130.948.3176.2-68.1-66.6000109.7G310 D315H308-G310 VanDerWaalsContact C-N 3.26Å; H308-G310 PolarHBondContact O-N 3.36Å; H308-D315 PolarHBondContact N-OD1 3.2Å
309V89.1Confident91.8Very high0 Ų025 Ų250%012%0.121CC..  trans-68-30.1178.5-171.30000110.5I97 M98 P100 N307 I311 V314 D315I97-V309 VanDerWaalsContact CA-O 3.25Å; I97-V309 WeakPolarHBondContact CA-O 3.3Å; I97-V309 HydrophobicContact CG2-CG1 3.84Å; I97-V309 WeakPolarHBondContact CG2-O 3.48Å; M98-V309 PolarHBondContact N-O 2.69Å; M98-V309 WeakPolarHBondContact O-CA 3.49Å; P100-V309 HydrophobicContact CG-CG2 3.81Å; N307-V309 HydrophobicContact CB-CG2 4.19Å; V309-I311 HydrophobicContact CG1-CD1 4.38Å; V309-I311 HydrophobicContact CG1-CG1 4.45Å; V309-V314 HydrophobicContact CB-CB 4.44Å; V309-V314 HydrophobicContact CB-CG1 4.14Å; V309-V314 HydrophobicContact CG1-CG1 4.38Å; V309-V314 HydrophobicContact CG2-CB 4.43Å; V309-V314 HydrophobicContact CG2-CG1 3.65Å; V309-D315 WeakPolarHBondContact CA-OD1 3.44Å; V309-D315 WeakPolarHBondContact CB-OD1 3.38Å; V309-D315 WeakPolarHBondContact CG2-OD1 3.43Å; V309-D315 PolarHBondContact N-OD1 3.28Å
310G88.6Confident92Very high2 Ų223.5 Ų23.52%0.02111%0.112CC..SBendtrans84.719.1-175.400000113P92 N93 H308 D315P92-G310 CarbonylContact C-O 3.5Å; P92-G310 VanDerWaalsContact CA-O 3.25Å; P92-G310 WeakPolarHBondContact CA-O 3.34Å; N93-G310 PolarHBondContact N-O 3.46Å; N93-G310 PolarHBondContact OD1-O 3.33Å; H308-G310 VanDerWaalsContact C-N 3.26Å; H308-G310 PolarHBondContact O-N 3.36Å; G310-D315 WeakPolarHBondContact CA-OD2 3.27Å; G310-D315 PolarHBondContact N-OD2 2.95Å
311I90.8Very high92Very high0 Ų023.5 Ų23.50%011%0.112CC..  trans-124.2111.8170.8-60.9173.8000106.2T90 P92 F109 V309 I313 V314 D315T90-I311 WeakPolarHBondContact O-CG2 3.48Å; P92-I311 HydrophobicContact CB-CG1 4.24Å; P92-I311 HydrophobicContact CG-CD1 4.29Å; P92-I311 HydrophobicContact CG-CG1 4.05Å; F109-I311 HydrophobicContact CB-CD1 3.64Å; F109-I311 HydrophobicContact CD1-CD1 3.95Å; F109-I311 HydrophobicContact CG-CD1 4.2Å; V309-I311 HydrophobicContact CG1-CD1 4.38Å; V309-I311 HydrophobicContact CG1-CG1 4.45Å; I311-I313 VanDerWaalsContact C-N 3.33Å; I311-I313 HydrophobicContact CG2-CG2 3.93Å; I311-I313 PolarHBondContact O-N 3.06Å; I311-V314 HydrophobicContact CB-CB 4.31Å; I311-V314 HydrophobicContact CB-CG2 4.01Å; I311-V314 HydrophobicContact CG2-CG2 3.92Å; I311-V314 PolarHBondContact O-N 3.12Å; I311-D315 PolarHBondContact N-OD2 2.97Å; I311-D315 PolarHBondContact O-N 3.22Å
312P91.9Very high92.1Very high2 Ų223.6 Ų23.61%0.01311%0.112CC..Hα-helixtrans-53.7-45-168.6-29.935.5000114.1A91 N93 L259 V314 D315 F316A91-P312 WeakPolarHBondContact O-CD 3.24Å; N93-P312 WeakPolarHBondContact ND2-CG 3.37Å; L259-P312 HydrophobicContact CB-CB 3.92Å; L259-P312 HydrophobicContact CD1-CB 4.38Å; P312-V314 VanDerWaalsContact C-N 3.26Å; P312-V314 PolarHBondContact O-N 3.41Å; P312-D315 PolarHBondContact O-N 2.88Å; P312-F316 HydrophobicContact CB-CD2 4.5Å; P312-F316 WeakPolarHBondContact O-CB 3.47Å; P312-F316 VanDerWaalsContact O-CD2 3.29Å; P312-F316 WeakPolarHBondContact O-CD2 3.41Å; P312-F316 PolarHBondContact O-N 2.96Å
313I93.4Very high92.1Very high1 Ų124.7 Ų24.71%0.00512%0.116CC..Hα-helixtrans-60.5-37.6-179.9-173.857.2000112.2L85 E89 T90 I119 L252 F253 L259 I311 L317L85-I313 HydrophobicContact CD1-CB 4.16Å; L85-I313 HydrophobicContact CD1-CD1 3.56Å; L85-I313 HydrophobicContact CD1-CG1 3.55Å; L85-I313 HydrophobicContact CD2-CD1 4.43Å; E89-I313 WeakPolarHBondContact O-CB 3.45Å; E89-I313 WeakPolarHBondContact O-CG2 3.3Å; E89-I313 PolarHBondContact O-N 3.41Å; T90-I313 HydrophobicContact CG2-CG2 4.4Å; I119-I313 HydrophobicContact CD1-CD1 4.37Å; I119-I313 HydrophobicContact CD1-CG1 3.67Å; I119-I313 HydrophobicContact CG1-CG1 4.1Å; L252-I313 HydrophobicContact CD1-CD1 4.06Å; F253-I313 HydrophobicContact CE2-CD1 3.89Å; F253-I313 HydrophobicContact CZ-CD1 3.87Å; L259-I313 HydrophobicContact CD1-CB 4.28Å; L259-I313 HydrophobicContact CD1-CD1 3.95Å; I311-I313 VanDerWaalsContact C-N 3.33Å; I311-I313 HydrophobicContact CG2-CG2 3.93Å; I311-I313 PolarHBondContact O-N 3.06Å; I313-L317 WeakPolarHBondContact O-CA 3.05Å; I313-L317 WeakPolarHBondContact O-CB 3.4Å; I313-L317 PolarHBondContact O-N 3.42Å
314V92.8Very high92.1Very high6 Ų626 Ų264%0.03613%0.126CC..Hα-helixtrans-72.7-40.5179.4-176.50000110.9L103 F109 L115 L118 V309 I311 P312L103-V314 HydrophobicContact CD1-CG1 4.43Å; F109-V314 HydrophobicContact CD1-CG2 3.94Å; F109-V314 HydrophobicContact CE1-CG1 3.99Å; F109-V314 HydrophobicContact CE1-CG2 3.87Å; L115-V314 HydrophobicContact CD2-CG2 4.02Å; L118-V314 HydrophobicContact CD2-CG1 4.44Å; L118-V314 HydrophobicContact CD2-CG2 4.03Å; V309-V314 HydrophobicContact CB-CB 4.44Å; V309-V314 HydrophobicContact CB-CG1 4.14Å; V309-V314 HydrophobicContact CG1-CG1 4.38Å; V309-V314 HydrophobicContact CG2-CB 4.43Å; V309-V314 HydrophobicContact CG2-CG1 3.65Å; I311-V314 HydrophobicContact CB-CB 4.31Å; I311-V314 HydrophobicContact CB-CG2 4.01Å; I311-V314 HydrophobicContact CG2-CG2 3.92Å; I311-V314 PolarHBondContact O-N 3.12Å; P312-V314 VanDerWaalsContact C-N 3.26Å; P312-V314 PolarHBondContact O-N 3.41Å
315D92.7Very high92Very high20 Ų2023.8 Ų23.811%0.10711%0.114CC..Hα-helixtrans-69.4-34.7-178.3-69.5-22000112.4H308 V309 G310 I311 P312H308-D315 PolarHBondContact N-OD1 3.2Å; V309-D315 WeakPolarHBondContact CA-OD1 3.44Å; V309-D315 WeakPolarHBondContact CB-OD1 3.38Å; V309-D315 WeakPolarHBondContact CG2-OD1 3.43Å; V309-D315 PolarHBondContact N-OD1 3.28Å; G310-D315 WeakPolarHBondContact CA-OD2 3.27Å; G310-D315 PolarHBondContact N-OD2 2.95Å; I311-D315 PolarHBondContact N-OD2 2.97Å; I311-D315 PolarHBondContact O-N 3.22Å; P312-D315 PolarHBondContact O-N 2.88Å
316F94.6Very high91.8Very high28 Ų2823.8 Ų23.812%0.12312%0.122CC..Hα-helixtrans-99.5-10.4-178.7-71.4-76.9000114.4F253 L259 V261 M274 M288 P312 L319F253-F316 HydrophobicContact CE1-CB 4.34Å; F253-F316 VanDerWaalsContact CE1-O 3.26Å; F253-F316 WeakPolarHBondContact CE1-O 3.34Å; F253-F316 HydrophobicContact CZ-CB 4.38Å; L259-F316 HydrophobicContact CB-CD2 4.14Å; L259-F316 HydrophobicContact CD1-CB 4.12Å; L259-F316 HydrophobicContact CD2-CB 3.75Å; L259-F316 HydrophobicContact CD2-CD2 4.38Å; L259-F316 HydrophobicContact CD2-CG 4.07Å; L259-F316 HydrophobicContact CG-CB 4.45Å; V261-F316 HydrophobicContact CB-CZ 4.43Å; V261-F316 HydrophobicContact CG1-CE1 4.33Å; V261-F316 HydrophobicContact CG1-CZ 4.03Å; V261-F316 HydrophobicContact CG2-CE1 4.42Å; V261-F316 HydrophobicContact CG2-CE2 4.11Å; V261-F316 HydrophobicContact CG2-CZ 3.51Å; M274-F316 HydrophobicContact CE-CD1 4.19Å; M274-F316 HydrophobicContact CE-CE1 4.05Å; M288-F316 HydrophobicContact CE-CD1 4.33Å; M288-F316 HydrophobicContact CE-CE1 4.27Å; P312-F316 HydrophobicContact CB-CD2 4.5Å; P312-F316 WeakPolarHBondContact O-CB 3.47Å; P312-F316 VanDerWaalsContact O-CD2 3.29Å; P312-F316 WeakPolarHBondContact O-CD2 3.41Å; P312-F316 PolarHBondContact O-N 2.96Å; F316-L319 HydrophobicContact CD1-CD1 4.01Å; F316-L319 WeakPolarHBondContact O-CB 3.25Å; F316-L319 PolarHBondContact O-N 3.26Å
317L95.1Very high91.8Very high7 Ų721.6 Ų21.64%0.03712%0.118CC..G310 helixtrans-47-38.5-178.6-167.654.9000114I119 K122 T123 I313 L319 S320 Y323I119-L317 HydrophobicContact CG1-CD1 4.47Å; I119-L317 HydrophobicContact CG1-CD2 4.38Å; I119-L317 HydrophobicContact CG2-CD1 4.26Å; K122-L317 HydrophobicContact CB-CD2 3.78Å; K122-L317 HydrophobicContact CG-CD2 4.42Å; T123-L317 HydrophobicContact CG2-CD1 4.28Å; I313-L317 WeakPolarHBondContact O-CA 3.05Å; I313-L317 WeakPolarHBondContact O-CB 3.4Å; I313-L317 PolarHBondContact O-N 3.42Å; L317-L319 PolarHBondContact O-N 2.92Å; L317-L319 VanDerWaalsContact O-N 3.09Å; L317-S320 WeakPolarHBondContact O-CB 3.3Å; L317-S320 PolarHBondContact O-N 3.38Å; L317-Y323 HydrophobicContact CG-CD2 4.01Å; L317-Y323 HydrophobicContact CG-CE2 4.31Å
318P95.4Very high91.8Very high1 Ų125.4 Ų25.41%0.00614%0.142CC..G310 helixtrans-58.8-20.1176.6-27.938.3000116.1T303 Y323T303-P318 HydrophobicContact CG2-CB 3.34Å; T303-P318 HydrophobicContact CG2-CG 3.79Å; P318-Y323 VanDerWaalsContact CA-CG 3.5Å; P318-Y323 HydrophobicContact CB-CD1 4.12Å; P318-Y323 HydrophobicContact CB-CE1 3.94Å; P318-Y323 HydrophobicContact CB-CE2 4.46Å; P318-Y323 HydrophobicContact CB-CG 4.45Å; P318-Y323 HydrophobicContact CG-CE1 4.33Å; P318-Y323 HydrophobicContact CG-CE2 4.23Å
319L96.3Very high91.7Very high0 Ų019.9 Ų19.90%012%0.117CC..G310 helixtrans-90.2-1.5176.1-56.6-175.3000113.5F253 W255 M274 T286 M288 L302 F316 L317F253-L319 HydrophobicContact CD1-CB 4.42Å; F253-L319 HydrophobicContact CE1-CB 4.46Å; W255-L319 HydrophobicContact CH2-CB 3.72Å; W255-L319 HydrophobicContact CH2-CD1 4.08Å; W255-L319 HydrophobicContact CZ3-CB 4.48Å; M274-L319 HydrophobicContact CE-CD1 3.61Å; T286-L319 HydrophobicContact CG2-CD1 4.33Å; M288-L319 HydrophobicContact CE-CD1 4.46Å; M288-L319 HydrophobicContact CG-CD1 4.36Å; M288-L319 HydrophobicContact CG-CD2 3.6Å; M288-L319 HydrophobicContact CG-CG 3.96Å; M288-L319 HydrophobicContact SD-CD1 4.37Å; M288-L319 HydrophobicContact SD-CD2 4.36Å; M288-L319 HydrophobicContact SD-CG 4.06Å; L302-L319 HydrophobicContact CD2-CD2 4.18Å; F316-L319 HydrophobicContact CD1-CD1 4.01Å; F316-L319 WeakPolarHBondContact O-CB 3.25Å; F316-L319 PolarHBondContact O-N 3.26Å; L317-L319 PolarHBondContact O-N 2.92Å; L317-L319 VanDerWaalsContact O-N 3.09Å
320S96.7Very high91.3Very high0 Ų026 Ų260%015%0.147CC..SBendtrans-57.6140.1172.5170.10000109.7L252 L317 Y322 Y323L252-S320 CarbonylContact O-C 3.45Å; L252-S320 VanDerWaalsContact O-CA 3.28Å; L252-S320 WeakPolarHBondContact O-CA 3.29Å; L252-S320 PolarHBondContact O-OG 2.99Å; L317-S320 WeakPolarHBondContact O-CB 3.3Å; L317-S320 PolarHBondContact O-N 3.38Å; S320-Y322 PolarHBondContact O-N 2.92Å; S320-Y322 PolarHBondContact OG-N 3.47Å; S320-Y323 PolarHBondContact O-N 3Å
321S96.7Very high90.4Very high0 Ų031.8 Ų31.80%017%0.173CC..THydrogen-bonded Turntrans-59.1-19.5174.9-59.10000112.2E242 N245 L252E242-S321 WeakPolarHBondContact CB-O 3.28Å; E242-S321 WeakPolarHBondContact CG-O 3.39Å; N245-S321 WeakPolarHBondContact OD1-CB 3.35Å; N245-S321 PolarHBondContact OD1-OG 3.44Å; L252-S321 PolarHBondContact O-N 3.39Å
322Y97.7Very high90Very high3 Ų337.4 Ų37.41%0.01220%0.199CC..THydrogen-bonded Turntrans-11410-177.1-50.9-55.9000113.9L76 G77 W78 T123 T124 E242 S249 R251 S320 S324L76-Y322 HydrophobicContact CB-CE1 4.26Å; L76-Y322 HydrophobicContact CD2-CE1 4.31Å; G77-Y322 VanDerWaalsContact N-CD1 3.27Å; W78-Y322 HydrophobicContact CB-CD2 4.18Å; W78-Y322 HydrophobicContact CE3-CD2 4.45Å; T123-Y322 CarbonylContact C-O 3.56Å; T123-Y322 WeakPolarHBondContact CA-O 3.32Å; T123-Y322 WeakPolarHBondContact CB-O 3.44Å; T124-Y322 PolarHBondContact N-O 3.42Å; E242-Y322 HydrophobicContact CB-CD1 4.11Å; E242-Y322 HydrophobicContact CB-CE1 4.27Å; E242-Y322 HydrophobicContact CG-CD1 4.3Å; E242-Y322 WeakPolarHBondContact OE1-CA 3.25Å; S249-Y322 PolarHBondContact N-OH 3.26Å; S249-Y322 PolarHBondContact O-OH 3.28Å; R251-Y322 VanDerWaalsContact O-CE2 3.31Å; R251-Y322 WeakPolarHBondContact O-CE2 3.42Å; S320-Y322 PolarHBondContact O-N 2.92Å; S320-Y322 PolarHBondContact OG-N 3.47Å; Y322-S324 PolarHBondContact O-N 3.03Å
323Y96.9Very high89.9Confident24 Ų2440 Ų409%0.09421%0.211CC..BIsolated β-bridgetrans-59.6124.3-179.2-177.1-112.7000110.9K122 K301 L317 P318 S320 N325K122-Y323 HydrophobicContact CB-CD2 4.42Å; K122-Y323 HydrophobicContact CB-CE2 4.09Å; K122-Y323 VanDerWaalsContact O-CD2 3.3Å; K122-Y323 WeakPolarHBondContact O-CD2 3.42Å; K301-Y323 WeakPolarHBondContact CE-O 3.42Å; K301-Y323 PolarHBondContact NZ-O 2.92Å; L317-Y323 HydrophobicContact CG-CD2 4.01Å; L317-Y323 HydrophobicContact CG-CE2 4.31Å; P318-Y323 VanDerWaalsContact CA-CG 3.5Å; P318-Y323 HydrophobicContact CB-CD1 4.12Å; P318-Y323 HydrophobicContact CB-CE1 3.94Å; P318-Y323 HydrophobicContact CB-CE2 4.46Å; P318-Y323 HydrophobicContact CB-CG 4.45Å; P318-Y323 HydrophobicContact CG-CE1 4.33Å; P318-Y323 HydrophobicContact CG-CE2 4.23Å; S320-Y323 PolarHBondContact O-N 3Å; Y323-N325 HydrophobicContact CD1-CB 4.3Å; Y323-N325 HydrophobicContact CE1-CB 3.88Å
324S95.2Very high90Very high38 Ų3844.3 Ų44.327%0.26623%0.233SC..  trans-102.5101.6178.1-175.80000108.5K122 Y322K122-S324 PolarHBondContact O-N 3.43Å; Y322-S324 PolarHBondContact O-N 3.03Å
325N88.6Confident90Very high15 Ų1544 Ų448%0.0823%0.232CC..  trans-73.5136.2178.6-156.6-37000110.6F291 L300 L302 Y323 T327F291-N325 WeakPolarHBondContact CE1-ND2 3.49Å; L300-N325 WeakPolarHBondContact O-CB 3.46Å; L302-N325 PolarHBondContact O-ND2 3.48Å; Y323-N325 HydrophobicContact CD1-CB 4.3Å; Y323-N325 HydrophobicContact CE1-CB 3.88Å; N325-T327 WeakPolarHBondContact OD1-CB 3.13Å; N325-T327 PolarHBondContact OD1-N 2.95Å; N325-T327 PolarHBondContact OD1-OG1 3.27Å
326T84.4Confident90.1Very high100 Ų10044.5 Ų44.561%0.61324%0.237SC*.  trans-89.6-6.1176.255.50000112.9T328T326-T328 PolarHBondContact O-N 3.08Å
327T86.6Confident90.2Very high60 Ų6043.2 Ų43.237%0.36823%0.231SC..PPolyproline II helixtrans-70.9123.7174.9-59.10000110.2F291 L300 N325F291-T327 HydrophobicContact CE2-CG2 4.3Å; F291-T327 HydrophobicContact CZ-CG2 3.96Å; L300-T327 HydrophobicContact CD1-CG2 4.35Å; N325-T327 WeakPolarHBondContact OD1-CB 3.13Å; N325-T327 PolarHBondContact OD1-N 2.95Å; N325-T327 PolarHBondContact OD1-OG1 3.27Å
328T80.6Confident90.1Very high101 Ų10145.4 Ų45.462%0.6225%0.247SC*.PPolyproline II helixtrans-102.3131.6174.5-56.50000109.2T326T326-T328 PolarHBondContact O-N 3.08Å
329M82Confident90.1Very high10 Ų1048.1 Ų48.15%0.04926%0.261CS..PPolyproline II helixtrans-75.9142.3175.9-172.817356.500111Y221 P297 L300 L335 Y340Y221-M329 VanDerWaalsContact CB-CE 3.48Å; Y221-M329 HydrophobicContact CD2-CE 3.51Å; Y221-M329 HydrophobicContact CE2-CE 4.41Å; Y221-M329 HydrophobicContact CG-CE 3.61Å; P297-M329 HydrophobicContact CB-CE 3.6Å; P297-M329 WeakPolarHBondContact O-CB 3.34Å; L300-M329 HydrophobicContact CD1-CB 4.42Å; M329-L335 HydrophobicContact CG-CD2 4.45Å; M329-L335 HydrophobicContact SD-CD2 3.34Å; M329-L335 WeakPolarHBondContact SD-CD2 3.46Å; M329-Y340 HydrophobicContact CG-CE1 4.44Å; M329-Y340 HydrophobicContact SD-CE1 4.09Å
330M80.2Confident90.1Very high128 Ų12848.6 Ų48.663%0.63126%0.263SS*.PPolyproline II helixtrans-75.8138.5174.2-60.6-178-71.800110.3E332 E333M330-E332 PolarHBondContact O-N 3.11Å; M330-E333 HydrophobicContact CB-CB 4.09Å; M330-E333 HydrophobicContact CE-CB 4.43Å; M330-E333 HydrophobicContact CE-CG 4.45Å; M330-E333 PolarHBondContact O-N 3.43Å; M330-E333 VanDerWaalsContact O-N 3.12Å
331H70.2Confident90.1Very high123 Ų12348.8 Ų48.857%0.56926%0.264SS*.THydrogen-bonded Turntrans-56.3-27.2-169.4-166.169.5000114.9
332E82.4Confident90.2Very high119 Ų11948.9 Ų48.956%0.55627%0.265SS*.THydrogen-bonded Turntrans-124.820.9-177.2-61.9-62.1163.300112.8M330M330-E332 PolarHBondContact O-N 3.11Å
333E90.5Very high90.2Very high55 Ų5548.9 Ų48.926%0.25727%0.265SS..  trans-67.2134.5171.7-177.7170.4-174.800110.5T220 M330 L335 Y340T220-E333 WeakPolarHBondContact CA-O 3.47Å; M330-E333 HydrophobicContact CB-CB 4.09Å; M330-E333 HydrophobicContact CE-CB 4.43Å; M330-E333 HydrophobicContact CE-CG 4.45Å; M330-E333 PolarHBondContact O-N 3.43Å; M330-E333 VanDerWaalsContact O-N 3.12Å; E333-L335 PolarHBondContact O-N 2.95Å; E333-Y340 PolarHBondContact OE1-OH 3.28Å; E333-Y340 PolarHBondContact OE2-OH 3.32Å
334I93.7Very high90.3Very high92 Ų9248.2 Ų48.247%0.47226%0.262SS..BIsolated β-bridgetrans-71.7121.6172.2-61.5175.9000107.6E218 S336E218-I334 HydrophobicContact CB-CG2 4.42Å; E218-I334 HydrophobicContact CG-CG2 4.42Å; I334-S336 PolarHBondContact O-N 3.32Å; I334-S336 VanDerWaalsContact O-N 3.11Å
335L94.5Very high90.4Very high1 Ų146.4 Ų46.41%0.00525%0.249CC..  trans-77.8100.2-175.6-55.9176.8000110.1A143 H219 L224 I293 M329 E333 Y340A143-L335 HydrophobicContact CB-CB 3.64Å; A143-L335 HydrophobicContact CB-CD1 4.4Å; H219-L335 WeakPolarHBondContact O-CB 3.41Å; H219-L335 VanDerWaalsContact O-CG 3.29Å; H219-L335 WeakPolarHBondContact O-CG 3.3Å; H219-L335 PolarHBondContact O-N 3.29Å; L224-L335 HydrophobicContact CB-CD1 4.29Å; L224-L335 HydrophobicContact CD2-CD1 3.73Å; I293-L335 HydrophobicContact CD1-CD1 3.58Å; I293-L335 HydrophobicContact CD1-CD2 4.03Å; I293-L335 HydrophobicContact CD1-CG 4.34Å; M329-L335 HydrophobicContact CG-CD2 4.45Å; M329-L335 HydrophobicContact SD-CD2 3.34Å; M329-L335 WeakPolarHBondContact SD-CD2 3.46Å; E333-L335 PolarHBondContact O-N 2.95Å; L335-Y340 HydrophobicContact CB-CD2 4.3Å; L335-Y340 HydrophobicContact CD2-CD2 4.08Å; L335-Y340 HydrophobicContact CD2-CE2 4.28Å; L335-Y340 HydrophobicContact CD2-CG 4.22Å
336S94.7Very high90.9Very high30 Ų3046 Ų4621%0.2125%0.247CC..  trans-71.1134.1174.6-176.90000111.3I334 S338 N339 Y340I334-S336 PolarHBondContact O-N 3.32Å; I334-S336 VanDerWaalsContact O-N 3.11Å; S336-S338 PolarHBondContact O-N 3.41Å; S336-S338 VanDerWaalsContact O-N 3.12Å; S336-S338 PolarHBondContact OG-N 3.44Å; S336-S338 PolarHBondContact OG-OG 2.62Å; S336-N339 PolarHBondContact O-N 3.03Å; S336-Y340 PolarHBondContact O-N 2.86Å
337P96.4Very high91.4Very high1 Ų142 Ų421%0.00622%0.222CC..THydrogen-bonded Turntrans-60.7-20.8173.922.1-32.2000113.4P142 A143 T145 L195 Y201 R290P142-P337 HydrophobicContact CB-CB 3.43Å; P142-P337 VanDerWaalsContact CB-CB 3.43Å; A143-P337 WeakPolarHBondContact O-CB 3.43Å; T145-P337 HydrophobicContact CG2-CB 4.11Å; L195-P337 HydrophobicContact CD1-CG 4.03Å; L195-P337 HydrophobicContact CD2-CG 3.83Å; L195-P337 HydrophobicContact CG-CG 4.45Å; Y201-P337 HydrophobicContact CD1-CB 4.46Å; Y201-P337 HydrophobicContact CD2-CB 4.25Å; Y201-P337 HydrophobicContact CD2-CG 3.97Å; Y201-P337 HydrophobicContact CE1-CB 4.35Å; Y201-P337 HydrophobicContact CE2-CB 4.13Å; Y201-P337 HydrophobicContact CE2-CG 4.07Å; Y201-P337 HydrophobicContact CG-CB 4.41Å; Y201-P337 HydrophobicContact CG-CG 4.42Å; R290-P337 VanDerWaalsContact CD-O 3.31Å; R290-P337 WeakPolarHBondContact CD-O 3.28Å
338S92.9Very high91.8Very high53 Ų5339.2 Ų39.237%0.37121%0.205SC..THydrogen-bonded Turntrans-77.1-18.6176.466.40000114R290 S336R290-S338 VanDerWaalsContact CG-O 3.23Å; R290-S338 WeakPolarHBondContact CG-O 3.27Å; S336-S338 PolarHBondContact O-N 3.41Å; S336-S338 VanDerWaalsContact O-N 3.12Å; S336-S338 PolarHBondContact OG-N 3.44Å; S336-S338 PolarHBondContact OG-OG 2.62Å
339N94.4Very high92Very high57 Ų5740.8 Ų40.831%0.30520%0.203SC..THydrogen-bonded Turntrans-115.5-23.6-176.7-76.2-38.5000113.3R290 F291 S336R290-N339 CarbonylContact C-O 3.51Å; R290-N339 VanDerWaalsContact CA-O 3.32Å; R290-N339 WeakPolarHBondContact CA-O 3.32Å; F291-N339 PolarHBondContact N-O 3.15Å; S336-N339 PolarHBondContact O-N 3.03Å
340Y96.6Very high91.3Very high10 Ų1046.5 Ų46.54%0.03923%0.233CC..EExtended strand (participates in β ladder)trans-132.2139.8-171.4-61.9-80.5000112.1A143 F291 I293 L300 M329 E333 L335 S336A143-Y340 WeakPolarHBondContact CB-O 3.28Å; A143-Y340 PolarHBondContact N-O 3.17Å; F291-Y340 HydrophobicContact CB-CD1 4.05Å; F291-Y340 HydrophobicContact CB-CE1 4.31Å; F291-Y340 HydrophobicContact CD2-CD1 4.18Å; F291-Y340 AromaticContact CD2-CE1 3.73Å; F291-Y340 HydrophobicContact CD2-CE1 3.73Å; F291-Y340 HydrophobicContact CG-CE1 4.45Å; F291-Y340 CarbonylContact O-C 3.56Å; F291-Y340 WeakPolarHBondContact O-CA 3.41Å; I293-Y340 HydrophobicContact CD1-CD1 4.17Å; I293-Y340 HydrophobicContact CD1-CG 4.28Å; I293-Y340 HydrophobicContact CG1-CD1 3.96Å; I293-Y340 HydrophobicContact CG1-CG 4.49Å; L300-Y340 HydrophobicContact CD1-CE1 4.13Å; L300-Y340 HydrophobicContact CD2-CE1 4.45Å; M329-Y340 HydrophobicContact CG-CE1 4.44Å; M329-Y340 HydrophobicContact SD-CE1 4.09Å; E333-Y340 PolarHBondContact OE1-OH 3.28Å; E333-Y340 PolarHBondContact OE2-OH 3.32Å; L335-Y340 HydrophobicContact CB-CD2 4.3Å; L335-Y340 HydrophobicContact CD2-CD2 4.08Å; L335-Y340 HydrophobicContact CD2-CE2 4.28Å; L335-Y340 HydrophobicContact CD2-CG 4.22Å; S336-Y340 PolarHBondContact O-N 2.86Å
341L98.1Very high91.8Very high5 Ų542.5 Ų42.53%0.02621%0.213CC..EExtended strand (participates in β ladder)trans-114.6153.6169-67.2172.8000109.1A140 L141 D285 R290 F291 E292 I293A140-L341 HydrophobicContact CB-CB 4.02Å; A140-L341 HydrophobicContact CB-CD1 4.4Å; L141-L341 CarbonylContact O-C 3.55Å; L141-L341 VanDerWaalsContact O-CA 3.23Å; L141-L341 WeakPolarHBondContact O-CA 3.36Å; D285-L341 HydrophobicContact CB-CD1 3.53Å; R290-L341 HydrophobicContact CB-CD1 4.08Å; R290-L341 HydrophobicContact CB-CG 3.91Å; R290-L341 HydrophobicContact CG-CG 4.47Å; F291-L341 PolarHBondContact O-N 3.25Å; E292-L341 HydrophobicContact CB-CB 4.33Å; E292-L341 HydrophobicContact CG-CB 4.14Å; I293-L341 WeakPolarHBondContact CG1-O 3.48Å; I293-L341 PolarHBondContact N-O 3.15Å
342Y97.7Very high93Very high2 Ų238.2 Ų38.21%0.00819%0.194CC..EExtended strand (participates in β ladder)trans-138.2153.2169.278.1-77.5000110.4A140 L141 P142 T145 L224 I228 L235 K344A140-Y342 CarbonylContact C-O 3.58Å; A140-Y342 WeakPolarHBondContact CA-O 3.17Å; L141-Y342 HydrophobicContact CB-CD1 3.99Å; L141-Y342 HydrophobicContact CB-CE1 3.52Å; L141-Y342 HydrophobicContact CD1-CE1 4.16Å; L141-Y342 HydrophobicContact CD1-CE2 4.35Å; L141-Y342 WeakPolarHBondContact CD1-OH 3.2Å; L141-Y342 HydrophobicContact CG-CE1 4.47Å; L141-Y342 PolarHBondContact N-O 2.88Å; L141-Y342 WeakPolarHBondContact O-CD1 3.41Å; L141-Y342 PolarHBondContact O-N 2.81Å; P142-Y342 WeakPolarHBondContact O-CE1 3.44Å; T145-Y342 PolarHBondContact O-OH 3.39Å; L224-Y342 HydrophobicContact CD1-CD1 4.48Å; L224-Y342 HydrophobicContact CD1-CD2 4.4Å; L224-Y342 HydrophobicContact CD1-CE1 4.26Å; L224-Y342 HydrophobicContact CD1-CE2 4.19Å; L224-Y342 HydrophobicContact CD2-CD1 4.12Å; L224-Y342 HydrophobicContact CD2-CD2 4.35Å; L224-Y342 HydrophobicContact CD2-CG 3.92Å; I228-Y342 HydrophobicContact CG2-CD2 4.35Å; I228-Y342 HydrophobicContact CG2-CE2 3.87Å; L235-Y342 HydrophobicContact CD2-CD2 4.24Å; Y342-K344 HydrophobicContact CD2-CG 4.43Å; Y342-K344 HydrophobicContact CE2-CD 4.44Å; Y342-K344 HydrophobicContact CE2-CG 3.95Å
343R98Very high93.5Very high3 Ų333.7 Ų33.71%0.01117%0.174CC..  trans-130.9124.9-178.4-169.2-179.9-58.6-93.32110.4V136 Q137 R138 A140 F283 E292V136-R343 HydrophobicContact CG1-CG 4.12Å; Q137-R343 HydrophobicContact CB-CG 4.03Å; Q137-R343 PolarHBondContact O-NH1 2.83Å; R138-R343 PolarHBondContact O-NH1 2.9Å; A140-R343 HydrophobicContact CB-CB 4.27Å; F283-R343 PolarHBondContact O-NH1 2.66Å; F283-R343 PolarHBondContact O-NH2 2.92Å; E292-R343 WeakPolarHBondContact OE1-CB 3.31Å; E292-R343 IonicContact OE1-CZ 3.02Å; E292-R343 IonicContact OE1-NE 2.96Å; E292-R343 PolarHBondContact OE1-NE 2.79Å; E292-R343 IonicContact OE1-NH2 3.49Å; E292-R343 IonicContact OE2-NE 3.92Å; E292-R343 IonicContact OE2-NH2 2.79Å; E292-R343 PolarHBondContact OE2-NH2 3.43Å
344K98.1Very high93.7Very high9 Ų932.5 Ų32.54%0.03917%0.169CC..  trans-77.8139.7177.3-61.3165.7-172.2163.70109.9E63 F65 Q137 I228 F233 Y342E63-K344 IonicContact OE1-NZ 2.85Å; E63-K344 PolarHBondContact OE1-NZ 2.92Å; E63-K344 IonicContact OE2-NZ 3.03Å; E63-K344 PolarHBondContact OE2-NZ 2.96Å; F65-K344 HydrophobicContact CE1-CB 4.1Å; F65-K344 HydrophobicContact CZ-CB 4.01Å; F65-K344 HydrophobicContact CZ-CD 4.45Å; Q137-K344 HydrophobicContact CB-CB 4.34Å; Q137-K344 WeakPolarHBondContact CB-O 3.5Å; Q137-K344 PolarHBondContact N-O 3.42Å; I228-K344 HydrophobicContact CG2-CG 4.48Å; F233-K344 HydrophobicContact CB-CB 4.15Å; F233-K344 HydrophobicContact CB-CG 4.41Å; F233-K344 HydrophobicContact CD1-CB 3.97Å; F233-K344 HydrophobicContact CD2-CD 4.1Å; F233-K344 HydrophobicContact CD2-CG 4.44Å; F233-K344 HydrophobicContact CE1-CB 4.48Å; F233-K344 HydrophobicContact CE2-CD 4.22Å; F233-K344 HydrophobicContact CG-CB 3.99Å; F233-K344 HydrophobicContact CG-CD 4.4Å; F233-K344 HydrophobicContact CG-CG 4.31Å; Y342-K344 HydrophobicContact CD2-CG 4.43Å; Y342-K344 HydrophobicContact CE2-CD 4.44Å; Y342-K344 HydrophobicContact CE2-CG 3.95Å
345A98.5Very high93.7Very high0 Ų028.8 Ų28.80%015%0.15CC..EExtended strand (participates in β ladder)trans-138.6153.7170.400000111.4F135 V136 F233 D234 L236F135-A345 CarbonylContact O-C 3.52Å; F135-A345 WeakPolarHBondContact O-CA 3.29Å; F135-A345 WeakPolarHBondContact O-CB 3.4Å; V136-A345 HydrophobicContact CG2-CB 4.4Å; F233-A345 CarbonylContact C-O 3.56Å; F233-A345 WeakPolarHBondContact CA-O 3.44Å; D234-A345 PolarHBondContact N-O 3.07Å; D234-A345 PolarHBondContact O-N 3.21Å; L236-A345 HydrophobicContact CD2-CB 3.56Å; L236-A345 HydrophobicContact CG-CB 4.25Å
346I98.1Very high93.7Very high6 Ų630.6 Ų30.63%0.03116%0.16CC..EExtended strand (participates in β ladder)trans-115.5109.4168.6-55.1174.9000106.8F31 V32 I60 M134 F135 F233F31-I346 HydrophobicContact CB-CG2 4.02Å; V32-I346 HydrophobicContact CB-CD1 4.43Å; V32-I346 HydrophobicContact CG1-CD1 4.37Å; V32-I346 HydrophobicContact CG2-CD1 3.85Å; I60-I346 HydrophobicContact CD1-CD1 4.17Å; M134-I346 CarbonylContact C-O 3.55Å; M134-I346 WeakPolarHBondContact CA-O 3.41Å; M134-I346 WeakPolarHBondContact CB-O 3.46Å; F135-I346 HydrophobicContact CB-CB 4.18Å; F135-I346 HydrophobicContact CD2-CB 4.3Å; F135-I346 PolarHBondContact N-O 2.9Å; F135-I346 PolarHBondContact O-N 2.87Å; F233-I346 HydrophobicContact CD1-CD1 4.03Å; F233-I346 HydrophobicContact CD1-CG1 3.48Å; F233-I346 VanDerWaalsContact CD1-CG1 3.48Å; F233-I346 HydrophobicContact CE1-CD1 3.67Å; F233-I346 HydrophobicContact CE1-CG1 3.65Å
347L96.2Very high93.6Very high18 Ų1830.6 Ų30.69%0.09416%0.156CC..EExtended strand (participates in β ladder)trans-83.5127-177.4-58.7178.4000110.7P132 M134 D234 K349P132-L347 HydrophobicContact CG-CD2 4.48Å; M134-L347 HydrophobicContact CB-CD2 3.92Å; M134-L347 HydrophobicContact CE-CD2 4Å; M134-L347 HydrophobicContact SD-CD2 4.09Å; D234-L347 HydrophobicContact CB-CD1 4.35Å; L347-K349 HydrophobicContact CB-CD 4.46Å; L347-K349 HydrophobicContact CB-CG 4.29Å; L347-K349 PolarHBondContact O-N 3.25Å; L347-K349 VanDerWaalsContact O-N 3.14Å
348I94.7Very high93.4Very high1 Ų132.9 Ų32.91%0.00517%0.168CC..  trans-87.584.1177.7-49.3-53.2000108.8L7 L27 F31 P133 F135L7-I348 HydrophobicContact CD1-CG2 4.26Å; L27-I348 HydrophobicContact CD2-CD1 4.17Å; L27-I348 HydrophobicContact CD2-CG1 4.18Å; L27-I348 HydrophobicContact CD2-CG2 3.6Å; F31-I348 HydrophobicContact CB-CD1 3.61Å; F31-I348 HydrophobicContact CD1-CD1 3.86Å; F31-I348 HydrophobicContact CD1-CG2 4.48Å; F31-I348 HydrophobicContact CD2-CD1 3.73Å; F31-I348 HydrophobicContact CD2-CG2 4.14Å; F31-I348 HydrophobicContact CE1-CG2 4.06Å; F31-I348 HydrophobicContact CE2-CD1 4.39Å; F31-I348 HydrophobicContact CE2-CG2 3.68Å; F31-I348 HydrophobicContact CG-CD1 3.44Å; F31-I348 VanDerWaalsContact CG-CD1 3.44Å; F31-I348 HydrophobicContact CZ-CG2 3.65Å; P133-I348 HydrophobicContact CB-CB 4.17Å; P133-I348 HydrophobicContact CB-CG1 4.29Å; P133-I348 VanDerWaalsContact O-CB 3.26Å; P133-I348 WeakPolarHBondContact O-CB 3.46Å; P133-I348 WeakPolarHBondContact O-CG1 3.49Å; P133-I348 PolarHBondContact O-N 2.88Å; F135-I348 HydrophobicContact CD2-CD1 4.15Å; F135-I348 HydrophobicContact CE2-CD1 4.13Å
349K84Confident93.4Very high134 Ų13431.3 Ų31.358%0.58315%0.151SC*.  trans-101.9107.9174.4-62174.7-176.3167.80107.9L347L347-K349 HydrophobicContact CB-CD 4.46Å; L347-K349 HydrophobicContact CB-CG 4.29Å; L347-K349 PolarHBondContact O-N 3.25Å; L347-K349 VanDerWaalsContact O-N 3.14Å
350I66.7Low93.3Very high130 Ų13028.9 Ų28.967%0.66714%0.137SC*.  trans-92.40172.7-58.5-176.2000109.2L3 L4 F31L3-I350 HydrophobicContact CB-CD1 4.01Å; L3-I350 HydrophobicContact CD2-CD1 3.62Å; L3-I350 HydrophobicContact CG-CD1 3.84Å; L4-I350 HydrophobicContact CD1-CB 3.95Å; L4-I350 HydrophobicContact CD2-CB 4.07Å; L4-I350 HydrophobicContact CD2-CD1 3.76Å; L4-I350 HydrophobicContact CD2-CG1 3.73Å; L4-I350 HydrophobicContact CG-CB 3.92Å; L4-I350 HydrophobicContact CG-CD1 3.83Å; L4-I350 HydrophobicContact CG-CG1 4Å; F31-I350 HydrophobicContact CZ-CG1 3.86Å

Retrieved 350 of 350 residues in 617.6 ms (Link to these results)

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