A0A087YLT6_POEFO Loading...

Glyceraldehyde-3-phosphate dehydrogenase

AlphaFold DB , UniProt , Accession A0A087YLT6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 335 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
1M52.2Low89.8Confident228 Ų22838.8 Ų38.8100%1.12321%0.21SC*.  0131.90-66.6179.1-139.900106.1
2S61.1Low90.6Very high36 Ų3638 Ų3825%0.25222%0.217SC..  trans-75.7142.5-178.454.80000110.4L4S2-L4 PolarHBondContact O-N 3.01Å; S2-L4 VanDerWaalsContact O-N 3.11Å
3D88Confident91.2Very high128 Ų12839.5 Ų39.568%0.68422%0.217SC*.  trans-76.816.2170.6-64.6-40.6000112.3C5D3-C5 PolarHBondContact O-N 2.91Å
4L96.3Very high91.7Very high2 Ų239.1 Ų39.11%0.0121%0.214CC..  trans-73.7110-177.9178.856.7000110.3S2 V6 I27 K28 Y93 L328 L329 Y332S2-L4 PolarHBondContact O-N 3.01Å; S2-L4 VanDerWaalsContact O-N 3.11Å; L4-V6 HydrophobicContact CD1-CG2 4.3Å; L4-V6 HydrophobicContact CD2-CG2 4.44Å; L4-V6 HydrophobicContact CG-CG2 3.97Å; L4-I27 HydrophobicContact CD2-CG1 4.49Å; L4-I27 HydrophobicContact CD2-CG2 4.08Å; L4-I27 HydrophobicContact CG-CG2 4.08Å; L4-K28 PolarHBondContact O-N 3.02Å; L4-K28 VanDerWaalsContact O-N 3.12Å; L4-Y93 HydrophobicContact CD1-CD1 4.22Å; L4-Y93 HydrophobicContact CD1-CD2 3.48Å; L4-Y93 VanDerWaalsContact CD1-CD2 3.48Å; L4-Y93 HydrophobicContact CD1-CE1 4.47Å; L4-Y93 HydrophobicContact CD1-CE2 3.84Å; L4-Y93 HydrophobicContact CD1-CG 3.7Å; L4-L328 HydrophobicContact CD2-CB 4.11Å; L4-L329 HydrophobicContact CD2-CD2 4.23Å; L4-Y332 HydrophobicContact CB-CD1 3.97Å; L4-Y332 HydrophobicContact CB-CD2 4.31Å; L4-Y332 HydrophobicContact CB-CE1 4.21Å; L4-Y332 HydrophobicContact CB-CG 4.02Å; L4-Y332 HydrophobicContact CD1-CD2 3.85Å; L4-Y332 HydrophobicContact CD1-CG 3.96Å; L4-Y332 HydrophobicContact CD2-CG 4.23Å; L4-Y332 HydrophobicContact CG-CG 4.28Å
5C97.8Very high92.2Very high23 Ų2336.5 Ų36.516%0.15520%0.2CC..EExtended strand (participates in β ladder)trans-100.9123.3176.2-62.30000111.2D3 K28 V30 G90 K92 Y93D3-C5 PolarHBondContact O-N 2.91Å; C5-K28 CarbonylContact C-O 3.55Å; C5-K28 VanDerWaalsContact CA-O 3.31Å; C5-K28 WeakPolarHBondContact CA-O 3.2Å; C5-V30 HydrophobicContact CB-CG1 4.04Å; C5-V30 HydrophobicContact CB-CG2 4.1Å; C5-G90 WeakPolarHBondContact CB-O 3.27Å; C5-K92 PolarHBondContact O-N 3.1Å; C5-K92 VanDerWaalsContact O-N 3.09Å; C5-Y93 PolarHBondContact O-N 3.06Å; C5-Y93 VanDerWaalsContact O-N 3.15Å
6V98.8Very high92.6Very high0 Ų035.3 Ų35.30%019%0.191CC..EExtended strand (participates in β ladder)trans-119.2137.7-172.6179.30000111.5L4 I27 K28 V29 V30 Y93 V95 L328L4-V6 HydrophobicContact CD1-CG2 4.3Å; L4-V6 HydrophobicContact CD2-CG2 4.44Å; L4-V6 HydrophobicContact CG-CG2 3.97Å; V6-I27 HydrophobicContact CB-CG2 4.31Å; V6-I27 HydrophobicContact CG2-CG2 3.49Å; V6-I27 VanDerWaalsContact CG2-CG2 3.49Å; V6-K28 PolarHBondContact N-O 3.21Å; V6-V29 CarbonylContact O-C 3.57Å; V6-V29 WeakPolarHBondContact O-CA 3.48Å; V6-V30 PolarHBondContact O-N 2.71Å; V6-Y93 CarbonylContact C-O 3.5Å; V6-Y93 VanDerWaalsContact CA-O 3.28Å; V6-Y93 WeakPolarHBondContact CA-O 3.47Å; V6-V95 HydrophobicContact CG1-CG2 4.01Å; V6-L328 HydrophobicContact CG1-CD1 4.11Å; V6-L328 HydrophobicContact CG2-CD1 4.1Å; V6-L328 HydrophobicContact CG2-CD2 4.5Å
7G98.9Very high93Very high0 Ų033.2 Ų33.20%018%0.18CC..EExtended strand (participates in β ladder)trans-102.8150.7164.300000111.3A31 Y93 V94 V95G7-A31 CarbonylContact C-O 3.56Å; G7-A31 VanDerWaalsContact CA-O 3.25Å; G7-A31 WeakPolarHBondContact CA-O 3.37Å; G7-Y93 PolarHBondContact N-O 3.41Å; G7-V94 CarbonylContact O-C 3.39Å; G7-V94 WeakPolarHBondContact O-CA 3.2Å; G7-V95 PolarHBondContact O-N 3.19Å
8I98.9Very high93.3Very high0 Ų031.3 Ų31.30%017%0.17CC..EExtended strand (participates in β ladder)trans-122.4121.9176-59.7176.4000109.1V18 L19 V29 A31 I32 N33 V95I8-V18 HydrophobicContact CD1-CG1 4.1Å; I8-L19 HydrophobicContact CD1-CB 3.91Å; I8-V29 HydrophobicContact CD1-CG1 4.01Å; I8-V29 HydrophobicContact CD1-CG2 4.29Å; I8-V29 HydrophobicContact CG1-CG1 4.21Å; I8-A31 PolarHBondContact N-O 3.44Å; I8-I32 HydrophobicContact CB-CG1 4.42Å; I8-I32 CarbonylContact O-C 3.55Å; I8-I32 WeakPolarHBondContact O-CA 3.24Å; I8-N33 PolarHBondContact O-N 3.09Å; I8-V95 HydrophobicContact CG1-CB 4.46Å
9N98.9Very high93.6Very high4 Ų429.7 Ų29.72%0.02116%0.161CC..EExtended strand (participates in β ladder)trans-100.1122.9171-16733.9000110.3N33 W86 V94 V95 E96 S97 T98 H110N9-N33 PolarHBondContact OD1-ND2 3.33Å; N9-W86 HydrophobicContact CB-CZ2 4.16Å; N9-V94 HydrophobicContact CB-CG1 4.5Å; N9-V95 PolarHBondContact N-O 3.33Å; N9-E96 PolarHBondContact ND2-OE2 2.91Å; N9-S97 CarbonylContact O-C 3.55Å; N9-S97 WeakPolarHBondContact O-CA 3.35Å; N9-S97 PolarHBondContact O-N 2.88Å; N9-S97 PolarHBondContact O-OG 3.34Å; N9-T98 HydrophobicContact CB-CG2 4.35Å; N9-T98 WeakPolarHBondContact ND2-CG2 3.37Å; N9-T98 PolarHBondContact O-N 2.88Å; N9-H110 PolarHBondContact ND2-CE1 2.76Å; N9-H110 PolarHBondContact ND2-NE2 3.25Å
10G98.6Very high93.8Very high6 Ų629 Ų296%0.06216%0.156CC..  trans83.7107.3-172.100000111.9G12 G15 N33 S97G10-G12 VanDerWaalsContact C-N 3.29Å; G10-G12 PolarHBondContact O-N 3.06Å; G10-G15 WeakPolarHBondContact O-CA 3.31Å; G10-N33 PolarHBondContact N-O 3.2Å; G10-S97 PolarHBondContact O-OG 2.79Å
11F98.8Very high94Very high0 Ų027.6 Ų27.60%015%0.148CC..  trans-98.841.2-177-157.9-125.5000112.1R16 L19 I32 D34 I37 M42 F46F11-R16 HydrophobicContact CD1-CG 3.83Å; F11-R16 HydrophobicContact CD2-CG 3.83Å; F11-R16 HydrophobicContact CE1-CG 3.72Å; F11-R16 HydrophobicContact CE2-CB 4.34Å; F11-R16 HydrophobicContact CE2-CG 3.7Å; F11-R16 HydrophobicContact CG-CG 3.89Å; F11-R16 HydrophobicContact CZ-CB 4.49Å; F11-R16 HydrophobicContact CZ-CG 3.67Å; F11-R16 WeakPolarHBondContact O-CG 3.43Å; F11-R16 PolarHBondContact O-NH1 2.82Å; F11-L19 HydrophobicContact CE2-CB 4.38Å; F11-L19 HydrophobicContact CE2-CD2 3.79Å; F11-L19 HydrophobicContact CZ-CD2 3.84Å; F11-I32 HydrophobicContact CB-CG2 3.85Å; F11-I32 HydrophobicContact CD2-CD1 4.07Å; F11-I32 HydrophobicContact CD2-CG1 4.41Å; F11-I32 HydrophobicContact CD2-CG2 3.74Å; F11-I32 HydrophobicContact CE2-CD1 3.62Å; F11-I32 HydrophobicContact CE2-CG1 4.38Å; F11-I32 HydrophobicContact CE2-CG2 4.39Å; F11-I32 HydrophobicContact CG-CG2 3.8Å; F11-I32 HydrophobicContact CZ-CD1 3.96Å; F11-D34 HydrophobicContact CB-CB 3.98Å; F11-D34 PolarHBondContact N-OD2 3.49Å; F11-I37 HydrophobicContact CB-CD1 4.17Å; F11-M42 HydrophobicContact CD1-CB 4.19Å; F11-M42 HydrophobicContact CD1-CG 3.88Å; F11-M42 HydrophobicContact CD1-SD 4.2Å; F11-M42 HydrophobicContact CE1-CB 3.99Å; F11-M42 HydrophobicContact CE1-CG 4.18Å; F11-F46 HydrophobicContact CE1-CB 4.18Å; F11-F46 HydrophobicContact CZ-CB 4.13Å; F11-F46 AromaticContact CZ-CD2 3.88Å; F11-F46 HydrophobicContact CZ-CD2 3.88Å; F11-F46 HydrophobicContact CZ-CG 4.22Å
12G98.4Very high96.2Very high29 Ų2916.7 Ų16.730%0.29910%0.095SC..SBendtrans-79.3-155.7175.600000113.5G10 I14 R16G10-G12 VanDerWaalsContact C-N 3.29Å; G10-G12 PolarHBondContact O-N 3.06Å; G12-I14 PolarHBondContact O-N 3.27Å; G12-R16 VanDerWaalsContact C-NH1 3.29Å; G12-R16 WeakPolarHBondContact O-CB 3.36Å; G12-R16 WeakPolarHBondContact O-CG 3.47Å; G12-R16 PolarHBondContact O-N 3.38Å; G12-R16 PolarHBondContact O-NH1 2.75Å
13R98.7Very high97.9Very high58 Ų5816 Ų1622%0.2199%0.088CC..Hα-helixtrans-53-57178.7-63.1-59.1-59.8159.76.3111.6L17 D49 T51 H52 E317R13-L17 VanDerWaalsContact O-CG 3.31Å; R13-L17 WeakPolarHBondContact O-CG 3.12Å; R13-L17 PolarHBondContact O-N 2.96Å; R13-D49 IonicContact CZ-OD1 3.94Å; R13-D49 IonicContact CZ-OD2 3.2Å; R13-D49 VanDerWaalsContact NH1-CG 3.31Å; R13-D49 IonicContact NH1-OD1 2.76Å; R13-D49 PolarHBondContact NH1-OD1 3.01Å; R13-D49 IonicContact NH1-OD2 2.75Å; R13-D49 PolarHBondContact NH1-OD2 2.79Å; R13-D49 IonicContact NH2-OD1 3Å; R13-D49 PolarHBondContact NH2-OD1 3.08Å; R13-D49 IonicContact NH2-OD2 2.79Å; R13-D49 PolarHBondContact NH2-OD2 3.23Å; R13-T51 PolarHBondContact NH2-OG1 3.08Å; R13-H52 PolarHBondContact NH2-CD2 3.09Å; R13-E317 WeakPolarHBondContact CB-OE1 3.37Å; R13-E317 VanDerWaalsContact CG-OE1 3.27Å; R13-E317 WeakPolarHBondContact CG-OE1 3.37Å; R13-E317 IonicContact CZ-OE1 2.71Å; R13-E317 IonicContact CZ-OE2 3.84Å; R13-E317 VanDerWaalsContact NE-CD 3.29Å; R13-E317 IonicContact NE-OE1 3.44Å; R13-E317 PolarHBondContact NE-OE1 2.94Å; R13-E317 IonicContact NE-OE2 3.23Å; R13-E317 PolarHBondContact NE-OE2 2.83Å; R13-E317 IonicContact NH2-OE1 3.45Å; R13-E317 IonicContact NH2-OE2 3.02Å; R13-E317 PolarHBondContact NH2-OE2 3.38Å
14I98.8Very high98.2Very high34 Ų3415.8 Ų15.817%0.1748%0.083CC..Hα-helixtrans-65.8-49.3-179-57.7-52000111.3G12 R16 L17 V18 Y320G12-I14 PolarHBondContact O-N 3.27Å; I14-R16 VanDerWaalsContact C-N 3.33Å; I14-R16 PolarHBondContact O-N 2.89Å; I14-L17 PolarHBondContact O-N 3.41Å; I14-L17 VanDerWaalsContact O-N 3.14Å; I14-V18 HydrophobicContact CG2-CG2 3.82Å; I14-V18 WeakPolarHBondContact O-CB 3.28Å; I14-V18 VanDerWaalsContact O-CG2 3.28Å; I14-V18 WeakPolarHBondContact O-CG2 3.38Å; I14-V18 PolarHBondContact O-N 3.29Å; I14-Y320 HydrophobicContact CD1-CD1 4.07Å; I14-Y320 HydrophobicContact CG2-CD1 4.32Å; I14-Y320 HydrophobicContact CG2-CE1 4.31Å
15G98.8Very high98.2Very high0 Ų019.2 Ų19.20%010%0.098CC..Hα-helixtrans-56.3-42.9-178.600000113.9G10 L19G10-G15 WeakPolarHBondContact O-CA 3.31Å; G15-L19 PolarHBondContact O-N 2.97Å; G15-L19 VanDerWaalsContact O-N 3.09Å
16R98.9Very high98.1Very high16 Ų1619.5 Ų19.56%0.0611%0.105CC..Hα-helixtrans-67.5-40.6176.6-67.9-165.9-53.7-84.32.5112.7F11 G12 I14 L19 R20 M45 F46 D49F11-R16 HydrophobicContact CD1-CG 3.83Å; F11-R16 HydrophobicContact CD2-CG 3.83Å; F11-R16 HydrophobicContact CE1-CG 3.72Å; F11-R16 HydrophobicContact CE2-CB 4.34Å; F11-R16 HydrophobicContact CE2-CG 3.7Å; F11-R16 HydrophobicContact CG-CG 3.89Å; F11-R16 HydrophobicContact CZ-CB 4.49Å; F11-R16 HydrophobicContact CZ-CG 3.67Å; F11-R16 WeakPolarHBondContact O-CG 3.43Å; F11-R16 PolarHBondContact O-NH1 2.82Å; G12-R16 VanDerWaalsContact C-NH1 3.29Å; G12-R16 WeakPolarHBondContact O-CB 3.36Å; G12-R16 WeakPolarHBondContact O-CG 3.47Å; G12-R16 PolarHBondContact O-N 3.38Å; G12-R16 PolarHBondContact O-NH1 2.75Å; I14-R16 VanDerWaalsContact C-N 3.33Å; I14-R16 PolarHBondContact O-N 2.89Å; R16-L19 WeakPolarHBondContact O-CB 3.37Å; R16-L19 PolarHBondContact O-N 3.46Å; R16-R20 PolarHBondContact O-N 3.18Å; R16-R20 VanDerWaalsContact O-N 3.08Å; R16-M45 WeakPolarHBondContact CD-O 3.25Å; R16-M45 PolarHBondContact NE-O 3.03Å; R16-F46 HydrophobicContact CB-CD2 4.19Å; R16-F46 HydrophobicContact CG-CD2 4.41Å; R16-F46 WeakPolarHBondContact O-CE2 3.34Å; R16-D49 IonicContact NH2-OD2 3.38Å
17L98.8Very high98.1Very high0 Ų019.6 Ų19.60%011%0.105CC..Hα-helixtrans-76.7-30-178.7-65.5173.7000112.4R13 I14 L19 R20 A21 H52 E317 Y318 S321R13-L17 VanDerWaalsContact O-CG 3.31Å; R13-L17 WeakPolarHBondContact O-CG 3.12Å; R13-L17 PolarHBondContact O-N 2.96Å; I14-L17 PolarHBondContact O-N 3.41Å; I14-L17 VanDerWaalsContact O-N 3.14Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-R20 PolarHBondContact O-N 3Å; L17-A21 WeakPolarHBondContact O-CB 3.34Å; L17-A21 PolarHBondContact O-N 3.47Å; L17-H52 HydrophobicContact CD2-CB 4.31Å; L17-E317 HydrophobicContact CD1-CB 3.49Å; L17-E317 VanDerWaalsContact CD1-CB 3.49Å; L17-E317 HydrophobicContact CD1-CG 4.45Å; L17-Y318 HydrophobicContact CD1-CD2 4.5Å; L17-Y318 HydrophobicContact CD2-CD2 3.93Å; L17-Y318 HydrophobicContact CD2-CE2 4.01Å; L17-S321 WeakPolarHBondContact CB-OG 3.34Å
18V98.9Very high98Very high0 Ų025.1 Ų25.10%013%0.13CC..Hα-helixtrans-62.1-42167168.50000110.3I8 I14 R20 A21 C22 V95 V324I8-V18 HydrophobicContact CD1-CG1 4.1Å; I14-V18 HydrophobicContact CG2-CG2 3.82Å; I14-V18 WeakPolarHBondContact O-CB 3.28Å; I14-V18 VanDerWaalsContact O-CG2 3.28Å; I14-V18 WeakPolarHBondContact O-CG2 3.38Å; I14-V18 PolarHBondContact O-N 3.29Å; V18-R20 PolarHBondContact O-N 3.22Å; V18-A21 PolarHBondContact O-N 3.19Å; V18-C22 VanDerWaalsContact O-CB 3.28Å; V18-C22 WeakPolarHBondContact O-CB 3.47Å; V18-C22 PolarHBondContact O-N 3.44Å; V18-C22 PolarHBondContact O-SG 2.85Å; V18-V95 HydrophobicContact CG1-CG1 4.39Å; V18-V95 HydrophobicContact CG1-CG2 4.11Å; V18-V324 HydrophobicContact CG1-CG1 4.15Å; V18-V324 HydrophobicContact CG2-CB 3.97Å; V18-V324 HydrophobicContact CG2-CG1 4Å; V18-V324 HydrophobicContact CG2-CG2 4.3Å
19L98.8Very high98Very high0 Ų025.5 Ų25.50%013%0.132CC..Hα-helixtrans-58.3-46.7171.8173.959.5000111.4I8 F11 G15 R16 L17 A21 C22 L23 V29 I32 F46 V68 I73I8-L19 HydrophobicContact CD1-CB 3.91Å; F11-L19 HydrophobicContact CE2-CB 4.38Å; F11-L19 HydrophobicContact CE2-CD2 3.79Å; F11-L19 HydrophobicContact CZ-CD2 3.84Å; G15-L19 PolarHBondContact O-N 2.97Å; G15-L19 VanDerWaalsContact O-N 3.09Å; R16-L19 WeakPolarHBondContact O-CB 3.37Å; R16-L19 PolarHBondContact O-N 3.46Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L19-A21 PolarHBondContact O-N 3.35Å; L19-C22 PolarHBondContact O-N 3.36Å; L19-L23 HydrophobicContact CD1-CD1 3.88Å; L19-L23 HydrophobicContact CD1-CD2 4.48Å; L19-L23 HydrophobicContact CD1-CG 4Å; L19-L23 HydrophobicContact CG-CD1 4.04Å; L19-L23 VanDerWaalsContact O-CG 3.25Å; L19-L23 WeakPolarHBondContact O-CG 3.25Å; L19-L23 PolarHBondContact O-N 2.8Å; L19-V29 HydrophobicContact CD1-CB 3.65Å; L19-V29 HydrophobicContact CD1-CG1 3.97Å; L19-V29 HydrophobicContact CD1-CG2 3.61Å; L19-I32 HydrophobicContact CD2-CD1 4.08Å; L19-F46 HydrophobicContact CB-CE2 4.04Å; L19-F46 HydrophobicContact CD2-CD2 3.92Å; L19-F46 HydrophobicContact CD2-CE1 4.34Å; L19-F46 HydrophobicContact CD2-CE2 3.52Å; L19-F46 HydrophobicContact CD2-CG 4.48Å; L19-F46 HydrophobicContact CD2-CZ 3.77Å; L19-F46 HydrophobicContact CG-CE2 3.72Å; L19-F46 HydrophobicContact CG-CZ 3.85Å; L19-V68 HydrophobicContact CD2-CG2 4.39Å; L19-I73 HydrophobicContact CD1-CD1 4.01Å; L19-I73 HydrophobicContact CD2-CD1 4.41Å
20R98.3Very high98Very high15 Ų1525.9 Ų25.96%0.05713%0.134CC..Hα-helixtrans-58-47.2175.9-66.3-169-179.1-172.5-1.8111.9R16 L17 V18 L23 Q24 F46 H52 G53 Y55R16-R20 PolarHBondContact O-N 3.18Å; R16-R20 VanDerWaalsContact O-N 3.08Å; L17-R20 PolarHBondContact O-N 3Å; V18-R20 PolarHBondContact O-N 3.22Å; R20-L23 PolarHBondContact O-N 2.98Å; R20-Q24 WeakPolarHBondContact O-CG 3.46Å; R20-Q24 PolarHBondContact O-N 3.09Å; R20-Q24 VanDerWaalsContact O-N 3.13Å; R20-F46 HydrophobicContact CG-CE2 3.59Å; R20-F46 HydrophobicContact CG-CZ 3.77Å; R20-F46 PolarHBondContact NH2-O 3.4Å; R20-F46 VanDerWaalsContact NH2-O 3.09Å; R20-H52 PolarHBondContact NH1-O 3.31Å; R20-G53 PolarHBondContact NH2-O 3.35Å; R20-Y55 HydrophobicContact CG-CD2 4.28Å; R20-Y55 HydrophobicContact CG-CE2 4.35Å
21A98.3Very high98Very high0 Ų025.6 Ų25.60%013%0.131CC..Hα-helixtrans-64.9-43179.700000112.5L17 V18 L19 L23 Q24 K25 A325L17-A21 WeakPolarHBondContact O-CB 3.34Å; L17-A21 PolarHBondContact O-N 3.47Å; V18-A21 PolarHBondContact O-N 3.19Å; L19-A21 PolarHBondContact O-N 3.35Å; A21-L23 VanDerWaalsContact C-N 3.35Å; A21-L23 PolarHBondContact O-N 2.85Å; A21-Q24 PolarHBondContact O-N 2.99Å; A21-K25 WeakPolarHBondContact O-CB 3.24Å; A21-K25 WeakPolarHBondContact O-CG 3.3Å; A21-K25 PolarHBondContact O-N 3.05Å; A21-A325 HydrophobicContact CB-CB 4.07Å
22C98.3Very high98Very high0 Ų025.6 Ų25.60%013%0.131CC..Hα-helixtrans-58.4-45.5175.2-78.20000111.5V18 L19 K25 G26 I27 V29V18-C22 VanDerWaalsContact O-CB 3.28Å; V18-C22 WeakPolarHBondContact O-CB 3.47Å; V18-C22 PolarHBondContact O-N 3.44Å; V18-C22 PolarHBondContact O-SG 2.85Å; L19-C22 PolarHBondContact O-N 3.36Å; C22-K25 CarbonylContact O-C 3.47Å; C22-K25 PolarHBondContact O-N 2.85Å; C22-G26 PolarHBondContact O-N 3.29Å; C22-I27 HydrophobicContact CB-CB 3.87Å; C22-I27 HydrophobicContact CB-CD1 4.48Å; C22-I27 HydrophobicContact CB-CG2 4.28Å; C22-I27 PolarHBondContact O-N 2.93Å; C22-V29 HydrophobicContact CB-CG2 3.67Å
23L95.8Very high98Very high22 Ų2224.3 Ų24.312%0.11512%0.118CC..Hα-helixtrans-62.4-44.6179-68.9168000112L19 R20 A21 K25 G26 F46 Y55 V68 K71L19-L23 HydrophobicContact CD1-CD1 3.88Å; L19-L23 HydrophobicContact CD1-CD2 4.48Å; L19-L23 HydrophobicContact CD1-CG 4Å; L19-L23 HydrophobicContact CG-CD1 4.04Å; L19-L23 VanDerWaalsContact O-CG 3.25Å; L19-L23 WeakPolarHBondContact O-CG 3.25Å; L19-L23 PolarHBondContact O-N 2.8Å; R20-L23 PolarHBondContact O-N 2.98Å; A21-L23 VanDerWaalsContact C-N 3.35Å; A21-L23 PolarHBondContact O-N 2.85Å; L23-K25 VanDerWaalsContact C-N 3.28Å; L23-K25 PolarHBondContact O-N 2.91Å; L23-G26 PolarHBondContact O-N 3.05Å; L23-F46 HydrophobicContact CD1-CZ 4.25Å; L23-Y55 WeakPolarHBondContact CD1-OH 3.37Å; L23-V68 HydrophobicContact CD1-CB 4.28Å; L23-V68 HydrophobicContact CD1-CG1 3.49Å; L23-V68 VanDerWaalsContact CD1-CG1 3.49Å; L23-K71 HydrophobicContact CD2-CD 4.16Å
24Q95.4Very high98Very high123 Ų12322.3 Ų22.358%0.57511%0.111SC*.Hα-helixtrans-62-35.4176.4-72.3171.8-7.500112.5R20 A21 G26 Y318R20-Q24 WeakPolarHBondContact O-CG 3.46Å; R20-Q24 PolarHBondContact O-N 3.09Å; R20-Q24 VanDerWaalsContact O-N 3.13Å; A21-Q24 PolarHBondContact O-N 2.99Å; Q24-G26 VanDerWaalsContact C-N 3.33Å; Q24-Y318 PolarHBondContact NE2-OH 3.32Å; Q24-Y318 VanDerWaalsContact NE2-OH 3.11Å
25K96Very high98Very high73 Ų7322.3 Ų22.332%0.31711%0.114SC..THydrogen-bonded Turntrans-89.43.7179.1-66.3173.4-174.1-78.60113.6A21 C22 L23 I27 N322 A325 D326 L329A21-K25 WeakPolarHBondContact O-CB 3.24Å; A21-K25 WeakPolarHBondContact O-CG 3.3Å; A21-K25 PolarHBondContact O-N 3.05Å; C22-K25 CarbonylContact O-C 3.47Å; C22-K25 PolarHBondContact O-N 2.85Å; L23-K25 VanDerWaalsContact C-N 3.28Å; L23-K25 PolarHBondContact O-N 2.91Å; K25-I27 VanDerWaalsContact C-N 3.29Å; K25-I27 HydrophobicContact CB-CD1 4.43Å; K25-I27 HydrophobicContact CB-CG1 4.36Å; K25-I27 PolarHBondContact O-N 2.93Å; K25-N322 VanDerWaalsContact CE-OD1 3.27Å; K25-N322 WeakPolarHBondContact CE-OD1 3.49Å; K25-A325 HydrophobicContact CD-CB 3.74Å; K25-D326 WeakPolarHBondContact CE-OD1 3.41Å; K25-D326 IonicContact NZ-OD1 3.02Å; K25-D326 PolarHBondContact NZ-OD1 3.23Å; K25-D326 IonicContact NZ-OD2 3.3Å; K25-L329 HydrophobicContact CB-CD1 4.21Å; K25-L329 HydrophobicContact CD-CD1 4.31Å
26G95.7Very high98Very high30 Ų3029.9 Ų29.931%0.30915%0.147SC..THydrogen-bonded Turntrans71.118.7178.800000115C22 L23 Q24C22-G26 PolarHBondContact O-N 3.29Å; L23-G26 PolarHBondContact O-N 3.05Å; Q24-G26 VanDerWaalsContact C-N 3.33Å
27I97.6Very high97.9Very high1 Ų129.7 Ų29.71%0.00515%0.147CC..  trans-78.3136.5172.7-57171.9000109L4 V6 C22 K25 V29 A325 L329L4-I27 HydrophobicContact CD2-CG1 4.49Å; L4-I27 HydrophobicContact CD2-CG2 4.08Å; L4-I27 HydrophobicContact CG-CG2 4.08Å; V6-I27 HydrophobicContact CB-CG2 4.31Å; V6-I27 HydrophobicContact CG2-CG2 3.49Å; V6-I27 VanDerWaalsContact CG2-CG2 3.49Å; C22-I27 HydrophobicContact CB-CB 3.87Å; C22-I27 HydrophobicContact CB-CD1 4.48Å; C22-I27 HydrophobicContact CB-CG2 4.28Å; C22-I27 PolarHBondContact O-N 2.93Å; K25-I27 VanDerWaalsContact C-N 3.29Å; K25-I27 HydrophobicContact CB-CD1 4.43Å; K25-I27 HydrophobicContact CB-CG1 4.36Å; K25-I27 PolarHBondContact O-N 2.93Å; I27-V29 PolarHBondContact O-N 3.44Å; I27-A325 HydrophobicContact CD1-CB 3.99Å; I27-L329 HydrophobicContact CD1-CD1 4.02Å; I27-L329 HydrophobicContact CD1-CD2 4.05Å; I27-L329 HydrophobicContact CD1-CG 3.67Å; I27-L329 HydrophobicContact CG1-CD1 4.3Å; I27-L329 HydrophobicContact CG1-CD2 3.78Å; I27-L329 HydrophobicContact CG1-CG 3.97Å
28K97.8Very high97.9Very high117 Ų11733.4 Ų33.451%0.50917%0.167SC..EExtended strand (participates in β ladder)trans-88.3104.1-178.2-166.6-175.2179.6-177.40110.6L4 C5 V6 V30L4-K28 PolarHBondContact O-N 3.02Å; L4-K28 VanDerWaalsContact O-N 3.12Å; C5-K28 CarbonylContact C-O 3.55Å; C5-K28 VanDerWaalsContact CA-O 3.31Å; C5-K28 WeakPolarHBondContact CA-O 3.2Å; V6-K28 PolarHBondContact N-O 3.21Å; K28-V30 HydrophobicContact CB-CG1 4.48Å; K28-V30 HydrophobicContact CD-CG1 3.75Å; K28-V30 HydrophobicContact CG-CG1 3.68Å
29V98.6Very high97.8Very high7 Ų734.9 Ų34.94%0.04217%0.174CC..EExtended strand (participates in β ladder)trans-80.1122.8166.8-176.40000108.4V6 I8 L19 C22 I27 I32 I73V6-V29 CarbonylContact O-C 3.57Å; V6-V29 WeakPolarHBondContact O-CA 3.48Å; I8-V29 HydrophobicContact CD1-CG1 4.01Å; I8-V29 HydrophobicContact CD1-CG2 4.29Å; I8-V29 HydrophobicContact CG1-CG1 4.21Å; L19-V29 HydrophobicContact CD1-CB 3.65Å; L19-V29 HydrophobicContact CD1-CG1 3.97Å; L19-V29 HydrophobicContact CD1-CG2 3.61Å; C22-V29 HydrophobicContact CB-CG2 3.67Å; I27-V29 PolarHBondContact O-N 3.44Å; V29-I32 HydrophobicContact CG1-CG1 4.39Å; V29-I73 HydrophobicContact CB-CD1 4.44Å; V29-I73 HydrophobicContact CG1-CD1 4.41Å; V29-I73 HydrophobicContact CG1-CG2 4.35Å
30V98.6Very high97.8Very high13 Ų1341.5 Ų41.58%0.07921%0.205CC..EExtended strand (participates in β ladder)trans-115.7-16.4-173.6-62.20000113.3C5 V6 K28 S74 A89 A91C5-V30 HydrophobicContact CB-CG1 4.04Å; C5-V30 HydrophobicContact CB-CG2 4.1Å; V6-V30 PolarHBondContact O-N 2.71Å; K28-V30 HydrophobicContact CB-CG1 4.48Å; K28-V30 HydrophobicContact CD-CG1 3.75Å; K28-V30 HydrophobicContact CG-CG1 3.68Å; V30-S74 PolarHBondContact O-N 2.78Å; V30-A89 WeakPolarHBondContact CG2-O 3.35Å; V30-A91 HydrophobicContact CG2-CB 3.77Å
31A98.8Very high97.8Very high0 Ų045.9 Ų45.90%022%0.223CC..EExtended strand (participates in β ladder)trans-149.7145.4-179.600000112.9G7 I8 S74 F76 W86 A89 A91G7-A31 CarbonylContact C-O 3.56Å; G7-A31 VanDerWaalsContact CA-O 3.25Å; G7-A31 WeakPolarHBondContact CA-O 3.37Å; I8-A31 PolarHBondContact N-O 3.44Å; A31-S74 CarbonylContact C-O 3.59Å; A31-S74 VanDerWaalsContact CA-O 3.24Å; A31-S74 WeakPolarHBondContact CA-O 3.47Å; A31-F76 HydrophobicContact CB-CD2 4.42Å; A31-F76 HydrophobicContact CB-CE2 3.9Å; A31-W86 HydrophobicContact CB-CE3 3.74Å; A31-W86 HydrophobicContact CB-CZ3 3.51Å; A31-A89 HydrophobicContact CB-CB 3.79Å; A31-A91 HydrophobicContact CB-CB 4.37Å
32I98.9Very high97.8Very high0 Ų045.9 Ų45.90%022%0.223CC..EExtended strand (participates in β ladder)trans-132137.4172.7-65.7163.6000108.3I8 F11 L19 V29 M42 L66 I73 S74 V75 F76I8-I32 HydrophobicContact CB-CG1 4.42Å; I8-I32 CarbonylContact O-C 3.55Å; I8-I32 WeakPolarHBondContact O-CA 3.24Å; F11-I32 HydrophobicContact CB-CG2 3.85Å; F11-I32 HydrophobicContact CD2-CD1 4.07Å; F11-I32 HydrophobicContact CD2-CG1 4.41Å; F11-I32 HydrophobicContact CD2-CG2 3.74Å; F11-I32 HydrophobicContact CE2-CD1 3.62Å; F11-I32 HydrophobicContact CE2-CG1 4.38Å; F11-I32 HydrophobicContact CE2-CG2 4.39Å; F11-I32 HydrophobicContact CG-CG2 3.8Å; F11-I32 HydrophobicContact CZ-CD1 3.96Å; L19-I32 HydrophobicContact CD2-CD1 4.08Å; V29-I32 HydrophobicContact CG1-CG1 4.39Å; I32-M42 HydrophobicContact CG2-CE 4.02Å; I32-M42 HydrophobicContact CG2-SD 4.02Å; I32-L66 HydrophobicContact CD1-CD2 3.76Å; I32-I73 HydrophobicContact CD1-CD1 4.45Å; I32-I73 HydrophobicContact CD1-CG2 3.8Å; I32-I73 HydrophobicContact CG1-CG2 3.85Å; I32-S74 PolarHBondContact N-O 2.82Å; I32-V75 CarbonylContact O-C 3.52Å; I32-V75 WeakPolarHBondContact O-CA 3.46Å; I32-F76 PolarHBondContact O-N 2.81Å
33N98.9Very high97.9Very high2 Ų246.9 Ų46.91%0.01123%0.229CC..EExtended strand (participates in β ladder)trans-121.2125.7170.4-17973.1000110.6I8 N9 G10 F76 Q77 C78 I84 W86I8-N33 PolarHBondContact O-N 3.09Å; N9-N33 PolarHBondContact OD1-ND2 3.33Å; G10-N33 PolarHBondContact N-O 3.2Å; N33-F76 WeakPolarHBondContact CA-O 3.42Å; N33-F76 HydrophobicContact CB-CB 4.12Å; N33-F76 VanDerWaalsContact OD1-CB 3.32Å; N33-F76 WeakPolarHBondContact OD1-CB 3.28Å; N33-F76 PolarHBondContact OD1-O 3Å; N33-Q77 PolarHBondContact OD1-N 2.93Å; N33-C78 PolarHBondContact ND2-O 2.84Å; N33-C78 PolarHBondContact OD1-N 3.03Å; N33-I84 HydrophobicContact CB-CD1 3.77Å; N33-I84 HydrophobicContact CB-CG1 4.26Å; N33-I84 HydrophobicContact CB-CG2 4.26Å; N33-I84 WeakPolarHBondContact ND2-CD1 3.28Å; N33-W86 HydrophobicContact CB-CH2 3.95Å; N33-W86 HydrophobicContact CB-CZ2 4.38Å
34D98.6Very high98Very high15 Ų1552.3 Ų52.38%0.0825%0.248CC..  trans-153.3113.4164.5-160.6-52.7000110.6F11 F36 I37 M42 F76F11-D34 HydrophobicContact CB-CB 3.98Å; F11-D34 PolarHBondContact N-OD2 3.49Å; D34-F36 PolarHBondContact O-N 3.27Å; D34-F36 PolarHBondContact OD1-N 3.21Å; D34-I37 HydrophobicContact CB-CB 4.25Å; D34-I37 HydrophobicContact CB-CD1 4.25Å; D34-I37 HydrophobicContact CB-CG1 4.31Å; D34-I37 PolarHBondContact O-N 3.08Å; D34-M42 HydrophobicContact CB-CE 3.93Å; D34-F76 PolarHBondContact N-O 2.86Å
35P98.1Very high98.2Very high35 Ų3548.2 Ų48.223%0.22723%0.23CC..THydrogen-bonded Turntrans-71-10.1-177.529.9-35.4000114M79P35-M79 HydrophobicContact CB-CG 4.06Å; P35-M79 HydrophobicContact CB-SD 3.41Å; P35-M79 WeakPolarHBondContact CB-SD 3.04Å; P35-M79 HydrophobicContact CG-CG 4.44Å; P35-M79 HydrophobicContact CG-SD 3.42Å; P35-M79 WeakPolarHBondContact CG-SD 3.43Å
36F98.3Very high98.3Very high158 Ų15844.8 Ų44.869%0.69322%0.215SC*.THydrogen-bonded Turntrans-106.60.7-176.3-52.6-65.1000113.5D34 M79D34-F36 PolarHBondContact O-N 3.27Å; D34-F36 PolarHBondContact OD1-N 3.21Å; F36-M79 HydrophobicContact CE1-CE 4.41Å; F36-M79 HydrophobicContact CE1-SD 4.16Å; F36-M79 HydrophobicContact CZ-CE 3.97Å; F36-M79 HydrophobicContact CZ-SD 3.92Å
37I97.9Very high98.4Very high12 Ų1247.5 Ų47.56%0.06222%0.218CC..SBendtrans-132.6110.9-176.7-49.7173.3000107.8F11 D34 Y41 M42 M45 Q77F11-I37 HydrophobicContact CB-CD1 4.17Å; D34-I37 HydrophobicContact CB-CB 4.25Å; D34-I37 HydrophobicContact CB-CD1 4.25Å; D34-I37 HydrophobicContact CB-CG1 4.31Å; D34-I37 PolarHBondContact O-N 3.08Å; I37-Y41 HydrophobicContact CG2-CD1 3.84Å; I37-Y41 HydrophobicContact CG2-CG 4Å; I37-M42 HydrophobicContact CB-CE 4.34Å; I37-M42 HydrophobicContact CB-CG 4.16Å; I37-M42 HydrophobicContact CG2-CB 4.27Å; I37-M42 HydrophobicContact CG2-CG 3.48Å; I37-M42 VanDerWaalsContact CG2-CG 3.48Å; I37-M42 VanDerWaalsContact O-CE 3.24Å; I37-M42 WeakPolarHBondContact O-CE 3.41Å; I37-M45 HydrophobicContact CD1-SD 3.81Å; I37-M45 HydrophobicContact CG1-SD 4.2Å; I37-M45 HydrophobicContact CG2-SD 3.95Å; I37-Q77 PolarHBondContact O-NE2 3.38Å; I37-Q77 VanDerWaalsContact O-NE2 3.08Å
38D97.9Very high98.5Very high78 Ų7852.2 Ų52.242%0.41724%0.237SC..  trans-72.9165.9172.668.966.5000111.8Q40 Y41 M42D38-Q40 VanDerWaalsContact C-N 3.34Å; D38-Q40 PolarHBondContact O-N 3.24Å; D38-Q40 WeakPolarHBondContact OD1-CB 3.31Å; D38-Q40 PolarHBondContact OD1-N 3.4Å; D38-Y41 CarbonylContact O-C 3.55Å; D38-Y41 PolarHBondContact O-N 3.4Å; D38-Y41 VanDerWaalsContact O-N 3.09Å; D38-Y41 PolarHBondContact OD1-N 2.84Å; D38-M42 WeakPolarHBondContact O-CG 3.32Å; D38-M42 PolarHBondContact O-N 3.19Å
39L98.2Very high98.6Very high31 Ų3147.2 Ų47.216%0.16222%0.215CC..Hα-helixtrans-58.5-40.2-174.5176.859.9000113.7Y41 M42 V43 H61 G64 L66 V75L39-Y41 VanDerWaalsContact C-N 3.32Å; L39-M42 PolarHBondContact O-N 3.01Å; L39-V43 PolarHBondContact O-N 3.11Å; L39-H61 HydrophobicContact CD1-CB 3.91Å; L39-H61 HydrophobicContact CD2-CB 3.82Å; L39-H61 HydrophobicContact CG-CB 3.65Å; L39-G64 VanDerWaalsContact CD2-C 3.48Å; L39-L66 HydrophobicContact CD1-CB 3.81Å; L39-L66 HydrophobicContact CD1-CD1 4.48Å; L39-V75 HydrophobicContact CD1-CB 4.4Å; L39-V75 HydrophobicContact CD1-CG2 3.8Å
40Q98.3Very high98.6Very high139 Ų13953 Ų5365%0.6526%0.256SS*.Hα-helixtrans-67.9-39.7178.2-174.6179.54.100110D38 V43 Y44D38-Q40 VanDerWaalsContact C-N 3.34Å; D38-Q40 PolarHBondContact O-N 3.24Å; D38-Q40 WeakPolarHBondContact OD1-CB 3.31Å; D38-Q40 PolarHBondContact OD1-N 3.4Å; Q40-V43 PolarHBondContact O-N 3.13Å; Q40-Y44 PolarHBondContact O-N 2.87Å
41Y98.6Very high98.6Very high107 Ų10753.9 Ų53.942%0.4226%0.262SS..Hα-helixtrans-68.5-34.9176.2-166-159.9000112.3I37 D38 L39 V43 Y44 M45I37-Y41 HydrophobicContact CG2-CD1 3.84Å; I37-Y41 HydrophobicContact CG2-CG 4Å; D38-Y41 CarbonylContact O-C 3.55Å; D38-Y41 PolarHBondContact O-N 3.4Å; D38-Y41 VanDerWaalsContact O-N 3.09Å; D38-Y41 PolarHBondContact OD1-N 2.84Å; L39-Y41 VanDerWaalsContact C-N 3.32Å; Y41-V43 VanDerWaalsContact C-N 3.34Å; Y41-V43 PolarHBondContact O-N 3.36Å; Y41-Y44 AromaticContact CD2-CD1 3.88Å; Y41-Y44 HydrophobicContact CD2-CD1 3.88Å; Y41-Y44 HydrophobicContact CD2-CG 4.48Å; Y41-Y44 AromaticContact CE2-CD1 3.7Å; Y41-Y44 HydrophobicContact CE2-CD1 3.7Å; Y41-Y44 HydrophobicContact CE2-CE1 4.21Å; Y41-Y44 PolarHBondContact O-N 3.31Å; Y41-M45 HydrophobicContact CD1-SD 4.21Å; Y41-M45 HydrophobicContact CD2-CG 3.63Å; Y41-M45 HydrophobicContact CD2-SD 4.18Å; Y41-M45 HydrophobicContact CE1-CG 4.48Å; Y41-M45 HydrophobicContact CE1-SD 3.85Å; Y41-M45 HydrophobicContact CE2-CG 3.38Å; Y41-M45 HydrophobicContact CE2-SD 3.83Å; Y41-M45 HydrophobicContact CG-CG 4.28Å; Y41-M45 HydrophobicContact CG-SD 4.35Å; Y41-M45 WeakPolarHBondContact O-CG 3.35Å; Y41-M45 PolarHBondContact O-N 3.37Å
42M98.8Very high98.5Very high0 Ų055.1 Ų55.10%027%0.268CS..Hα-helixtrans-58.9-43.7172.5-70.5-168.2-17600111.7F11 I32 D34 I37 D38 L39 Y44 M45 F46 V75F11-M42 HydrophobicContact CD1-CB 4.19Å; F11-M42 HydrophobicContact CD1-CG 3.88Å; F11-M42 HydrophobicContact CD1-SD 4.2Å; F11-M42 HydrophobicContact CE1-CB 3.99Å; F11-M42 HydrophobicContact CE1-CG 4.18Å; I32-M42 HydrophobicContact CG2-CE 4.02Å; I32-M42 HydrophobicContact CG2-SD 4.02Å; D34-M42 HydrophobicContact CB-CE 3.93Å; I37-M42 HydrophobicContact CB-CE 4.34Å; I37-M42 HydrophobicContact CB-CG 4.16Å; I37-M42 HydrophobicContact CG2-CB 4.27Å; I37-M42 HydrophobicContact CG2-CG 3.48Å; I37-M42 VanDerWaalsContact CG2-CG 3.48Å; I37-M42 VanDerWaalsContact O-CE 3.24Å; I37-M42 WeakPolarHBondContact O-CE 3.41Å; D38-M42 WeakPolarHBondContact O-CG 3.32Å; D38-M42 PolarHBondContact O-N 3.19Å; L39-M42 PolarHBondContact O-N 3.01Å; M42-Y44 VanDerWaalsContact C-N 3.34Å; M42-Y44 PolarHBondContact O-N 3.45Å; M42-M45 PolarHBondContact O-N 3.01Å; M42-F46 VanDerWaalsContact O-CB 3.28Å; M42-F46 WeakPolarHBondContact O-CB 3.42Å; M42-F46 PolarHBondContact O-N 3.12Å; M42-V75 HydrophobicContact CE-CG1 3.53Å; M42-V75 HydrophobicContact SD-CB 4.44Å; M42-V75 HydrophobicContact SD-CG1 3.62Å; M42-V75 HydrophobicContact SD-CG2 3.89Å
43V98.8Very high98.5Very high21 Ų2156.9 Ų56.913%0.12729%0.285CS..Hα-helixtrans-57.7-48.6174.7171.40000110.4L39 Q40 Y41 K47 V59 H61 L66L39-V43 PolarHBondContact O-N 3.11Å; Q40-V43 PolarHBondContact O-N 3.13Å; Y41-V43 VanDerWaalsContact C-N 3.34Å; Y41-V43 PolarHBondContact O-N 3.36Å; V43-K47 WeakPolarHBondContact O-CB 3.31Å; V43-K47 PolarHBondContact O-N 2.82Å; V43-V59 HydrophobicContact CB-CG1 4.31Å; V43-V59 HydrophobicContact CG1-CB 4.4Å; V43-V59 HydrophobicContact CG1-CG1 4.01Å; V43-V59 HydrophobicContact CG2-CG1 4.24Å; V43-H61 HydrophobicContact CG2-CB 3.91Å; V43-L66 HydrophobicContact CG2-CD1 3.52Å
44Y98.8Very high98.5Very high136 Ų13665.2 Ų65.253%0.53332%0.317SS..Hα-helixtrans-60.8-52.6179.3173.2-92.1000112.3Q40 Y41 M42 F46 K47 Y48Q40-Y44 PolarHBondContact O-N 2.87Å; Y41-Y44 AromaticContact CD2-CD1 3.88Å; Y41-Y44 HydrophobicContact CD2-CD1 3.88Å; Y41-Y44 HydrophobicContact CD2-CG 4.48Å; Y41-Y44 AromaticContact CE2-CD1 3.7Å; Y41-Y44 HydrophobicContact CE2-CD1 3.7Å; Y41-Y44 HydrophobicContact CE2-CE1 4.21Å; Y41-Y44 PolarHBondContact O-N 3.31Å; M42-Y44 VanDerWaalsContact C-N 3.34Å; M42-Y44 PolarHBondContact O-N 3.45Å; Y44-F46 VanDerWaalsContact C-N 3.28Å; Y44-F46 PolarHBondContact O-N 3.45Å; Y44-K47 PolarHBondContact O-N 3.39Å; Y44-Y48 AromaticContact CD2-CD2 3.69Å; Y44-Y48 HydrophobicContact CD2-CD2 3.69Å; Y44-Y48 HydrophobicContact CD2-CE2 4.09Å; Y44-Y48 AromaticContact CE2-CD2 3.75Å; Y44-Y48 HydrophobicContact CE2-CD2 3.75Å; Y44-Y48 HydrophobicContact CE2-CE2 4.26Å; Y44-Y48 HydrophobicContact CG-CD2 4.42Å; Y44-Y48 PolarHBondContact O-N 2.83Å
45M98.7Very high98.5Very high38 Ų3866.3 Ų66.319%0.18732%0.32CS..Hα-helixtrans-66.1-28.3-176.3-68.4-169.58200113.3R16 I37 Y41 M42R16-M45 WeakPolarHBondContact CD-O 3.25Å; R16-M45 PolarHBondContact NE-O 3.03Å; I37-M45 HydrophobicContact CD1-SD 3.81Å; I37-M45 HydrophobicContact CG1-SD 4.2Å; I37-M45 HydrophobicContact CG2-SD 3.95Å; Y41-M45 HydrophobicContact CD1-SD 4.21Å; Y41-M45 HydrophobicContact CD2-CG 3.63Å; Y41-M45 HydrophobicContact CD2-SD 4.18Å; Y41-M45 HydrophobicContact CE1-CG 4.48Å; Y41-M45 HydrophobicContact CE1-SD 3.85Å; Y41-M45 HydrophobicContact CE2-CG 3.38Å; Y41-M45 HydrophobicContact CE2-SD 3.83Å; Y41-M45 HydrophobicContact CG-CG 4.28Å; Y41-M45 HydrophobicContact CG-SD 4.35Å; Y41-M45 WeakPolarHBondContact O-CG 3.35Å; Y41-M45 PolarHBondContact O-N 3.37Å; M42-M45 PolarHBondContact O-N 3.01Å
46F98.8Very high98.3Very high1 Ų173.8 Ų73.80%0.00435%0.351CS..Hα-helixtrans-81.3-39.2175.8-172.2-107.7000112F11 R16 L19 R20 L23 M42 Y44 Y55 V59 V68F11-F46 HydrophobicContact CE1-CB 4.18Å; F11-F46 HydrophobicContact CZ-CB 4.13Å; F11-F46 AromaticContact CZ-CD2 3.88Å; F11-F46 HydrophobicContact CZ-CD2 3.88Å; F11-F46 HydrophobicContact CZ-CG 4.22Å; R16-F46 HydrophobicContact CB-CD2 4.19Å; R16-F46 HydrophobicContact CG-CD2 4.41Å; R16-F46 WeakPolarHBondContact O-CE2 3.34Å; L19-F46 HydrophobicContact CB-CE2 4.04Å; L19-F46 HydrophobicContact CD2-CD2 3.92Å; L19-F46 HydrophobicContact CD2-CE1 4.34Å; L19-F46 HydrophobicContact CD2-CE2 3.52Å; L19-F46 HydrophobicContact CD2-CG 4.48Å; L19-F46 HydrophobicContact CD2-CZ 3.77Å; L19-F46 HydrophobicContact CG-CE2 3.72Å; L19-F46 HydrophobicContact CG-CZ 3.85Å; R20-F46 HydrophobicContact CG-CE2 3.59Å; R20-F46 HydrophobicContact CG-CZ 3.77Å; R20-F46 PolarHBondContact NH2-O 3.4Å; R20-F46 VanDerWaalsContact NH2-O 3.09Å; L23-F46 HydrophobicContact CD1-CZ 4.25Å; M42-F46 VanDerWaalsContact O-CB 3.28Å; M42-F46 WeakPolarHBondContact O-CB 3.42Å; M42-F46 PolarHBondContact O-N 3.12Å; Y44-F46 VanDerWaalsContact C-N 3.28Å; Y44-F46 PolarHBondContact O-N 3.45Å; F46-Y55 HydrophobicContact CD1-CD1 4.49Å; F46-Y55 HydrophobicContact CD1-CG 4.43Å; F46-Y55 AromaticContact CE1-CD1 3.91Å; F46-Y55 HydrophobicContact CE1-CD1 3.91Å; F46-Y55 AromaticContact CE1-CD2 3.88Å; F46-Y55 HydrophobicContact CE1-CD2 3.88Å; F46-Y55 AromaticContact CE1-CE1 3.89Å; F46-Y55 HydrophobicContact CE1-CE1 3.89Å; F46-Y55 AromaticContact CE1-CE2 3.92Å; F46-Y55 HydrophobicContact CE1-CE2 3.92Å; F46-Y55 AromaticContact CE1-CG 3.86Å; F46-Y55 HydrophobicContact CE1-CG 3.86Å; F46-Y55 AromaticContact CE1-CZ 3.89Å; F46-Y55 AromaticContact CZ-CD2 3.96Å; F46-Y55 HydrophobicContact CZ-CD2 3.96Å; F46-Y55 AromaticContact CZ-CE2 3.86Å; F46-Y55 HydrophobicContact CZ-CE2 3.86Å; F46-Y55 HydrophobicContact CZ-CG 4.39Å; F46-V59 HydrophobicContact CD1-CB 4.38Å; F46-V59 HydrophobicContact CD1-CG1 3.87Å; F46-V59 HydrophobicContact CD1-CG2 3.56Å; F46-V59 HydrophobicContact CE1-CG2 3.9Å; F46-V68 HydrophobicContact CD1-CG2 4.29Å; F46-V68 HydrophobicContact CE1-CG1 3.68Å; F46-V68 HydrophobicContact CE1-CG2 4.02Å; F46-V68 HydrophobicContact CZ-CG1 4.3Å
47K98.7Very high98.2Very high86 Ų8667.9 Ų67.937%0.37434%0.336SS..Hα-helixtrans-67.2-39.3179.7-175.8170.2-176.2167.50112.9V43 Y44 R54 Y55V43-K47 WeakPolarHBondContact O-CB 3.31Å; V43-K47 PolarHBondContact O-N 2.82Å; Y44-K47 PolarHBondContact O-N 3.39Å; K47-R54 CarbonylContact O-C 3.48Å; K47-R54 WeakPolarHBondContact O-CA 3.34Å; K47-Y55 PolarHBondContact O-N 3.3Å
48Y98.8Very high98.2Very high101 Ų10173.5 Ų73.540%0.39636%0.361SS..EExtended strand (participates in β ladder)trans-116.9112.8-177.2-58.6-71.3000111.1Y44 R54Y44-Y48 AromaticContact CD2-CD2 3.69Å; Y44-Y48 HydrophobicContact CD2-CD2 3.69Å; Y44-Y48 HydrophobicContact CD2-CE2 4.09Å; Y44-Y48 AromaticContact CE2-CD2 3.75Å; Y44-Y48 HydrophobicContact CE2-CD2 3.75Å; Y44-Y48 HydrophobicContact CE2-CE2 4.26Å; Y44-Y48 HydrophobicContact CG-CD2 4.42Å; Y44-Y48 PolarHBondContact O-N 2.83Å; Y48-R54 HydrophobicContact CD1-CG 4.02Å; Y48-R54 HydrophobicContact CE1-CG 4.3Å
49D98.8Very high98.2Very high11 Ų1170.4 Ų70.46%0.05935%0.345CS..EExtended strand (participates in β ladder)trans-119.1127173.7-160.2-80.8000110.3R13 R16 T51 H52 G53R13-D49 IonicContact CZ-OD1 3.94Å; R13-D49 IonicContact CZ-OD2 3.2Å; R13-D49 VanDerWaalsContact NH1-CG 3.31Å; R13-D49 IonicContact NH1-OD1 2.76Å; R13-D49 PolarHBondContact NH1-OD1 3.01Å; R13-D49 IonicContact NH1-OD2 2.75Å; R13-D49 PolarHBondContact NH1-OD2 2.79Å; R13-D49 IonicContact NH2-OD1 3Å; R13-D49 PolarHBondContact NH2-OD1 3.08Å; R13-D49 IonicContact NH2-OD2 2.79Å; R13-D49 PolarHBondContact NH2-OD2 3.23Å; R16-D49 IonicContact NH2-OD2 3.38Å; D49-T51 VanDerWaalsContact C-N 3.28Å; D49-T51 PolarHBondContact O-N 2.87Å; D49-T51 WeakPolarHBondContact OD1-CB 3.33Å; D49-T51 PolarHBondContact OD1-N 3.21Å; D49-H52 HydrophobicContact CB-CB 4.39Å; D49-H52 IonicContact OD1-CD2 3.76Å; D49-H52 PolarHBondContact OD1-N 3.47Å; D49-G53 VanDerWaalsContact CB-O 3.3Å; D49-G53 WeakPolarHBondContact CB-O 3.46Å; D49-G53 PolarHBondContact N-O 3.33Å; D49-G53 CarbonylContact O-C 3.16Å; D49-G53 WeakPolarHBondContact O-CA 3.42Å; D49-G53 PolarHBondContact O-N 3.43Å
50S98.8Very high98.2Very high129 Ų12970.9 Ų70.990%0.90235%0.352SS*.THydrogen-bonded Turntrans-69.5-27.1-178.3-56.30000113.2
51T98.6Very high98.2Very high32 Ų3268.6 Ų68.620%0.19634%0.341CS..THydrogen-bonded Turntrans-92.8-52.1-178.4-52.90000110.3R13 D49 D239 I287R13-T51 PolarHBondContact NH2-OG1 3.08Å; D49-T51 VanDerWaalsContact C-N 3.28Å; D49-T51 PolarHBondContact O-N 2.87Å; D49-T51 WeakPolarHBondContact OD1-CB 3.33Å; D49-T51 PolarHBondContact OD1-N 3.21Å; T51-D239 HydrophobicContact CG2-CB 3.41Å; T51-D239 VanDerWaalsContact CG2-CB 3.41Å; T51-D239 WeakPolarHBondContact CG2-OD2 3.34Å; T51-I287 HydrophobicContact CG2-CG2 4.2Å
52H98.4Very high98.1Very high26 Ų2668.7 Ų68.712%0.1235%0.348CS..THydrogen-bonded Turntrans-100.819-171.3-60.3-68000113.1R13 L17 R20 D49 D239 D315 E317 Y318R13-H52 PolarHBondContact NH2-CD2 3.09Å; L17-H52 HydrophobicContact CD2-CB 4.31Å; R20-H52 PolarHBondContact NH1-O 3.31Å; D49-H52 HydrophobicContact CB-CB 4.39Å; D49-H52 IonicContact OD1-CD2 3.76Å; D49-H52 PolarHBondContact OD1-N 3.47Å; H52-D239 IonicContact CE1-OD2 3.56Å; H52-D239 PolarHBondContact CE1-OD2 2.94Å; H52-D239 VanDerWaalsContact CE1-OD2 3.26Å; H52-D239 IonicContact NE2-OD2 3.67Å; H52-D239 PolarHBondContact NE2-OD2 3.13Å; H52-D315 IonicContact CE1-OD2 3.21Å; H52-D315 PolarHBondContact CE1-OD2 3.12Å; H52-E317 IonicContact CD2-OE2 3.92Å; H52-E317 IonicContact NE2-OE2 2.93Å; H52-E317 PolarHBondContact NE2-OE2 3.24Å; H52-Y318 AromaticContact CE1-CD2 3.79Å; H52-Y318 AromaticContact CG-CD2 3.96Å; H52-Y318 AromaticContact ND1-CD2 3.59Å
53G98.1Very high97.9Very high36 Ų3672 Ų7237%0.37138%0.383SS..EExtended strand (participates in β ladder)trans63.2-171177.900000115.4R20 D49R20-G53 PolarHBondContact NH2-O 3.35Å; D49-G53 VanDerWaalsContact CB-O 3.3Å; D49-G53 WeakPolarHBondContact CB-O 3.46Å; D49-G53 PolarHBondContact N-O 3.33Å; D49-G53 CarbonylContact O-C 3.16Å; D49-G53 WeakPolarHBondContact O-CA 3.42Å; D49-G53 PolarHBondContact O-N 3.43Å
54R98.1Very high97.7Very high178 Ų17873.5 Ų73.567%0.67240%0.402SS*.EExtended strand (participates in β ladder)trans-66.9140.6177.2-63.7-176.5-177.51791.1110K47 Y48 H56K47-R54 CarbonylContact O-C 3.48Å; K47-R54 WeakPolarHBondContact O-CA 3.34Å; Y48-R54 HydrophobicContact CD1-CG 4.02Å; Y48-R54 HydrophobicContact CE1-CG 4.3Å; R54-H56 PolarHBondContact O-N 3.02Å
55Y98.2Very high97.6Very high37 Ų3771.2 Ų71.215%0.14540%0.395CS..  trans-65.6129.2166-173.2-108.7000109.4R20 L23 F46 K47 G57 V59 V68 D69R20-Y55 HydrophobicContact CG-CD2 4.28Å; R20-Y55 HydrophobicContact CG-CE2 4.35Å; L23-Y55 WeakPolarHBondContact CD1-OH 3.37Å; F46-Y55 HydrophobicContact CD1-CD1 4.49Å; F46-Y55 HydrophobicContact CD1-CG 4.43Å; F46-Y55 AromaticContact CE1-CD1 3.91Å; F46-Y55 HydrophobicContact CE1-CD1 3.91Å; F46-Y55 AromaticContact CE1-CD2 3.88Å; F46-Y55 HydrophobicContact CE1-CD2 3.88Å; F46-Y55 AromaticContact CE1-CE1 3.89Å; F46-Y55 HydrophobicContact CE1-CE1 3.89Å; F46-Y55 AromaticContact CE1-CE2 3.92Å; F46-Y55 HydrophobicContact CE1-CE2 3.92Å; F46-Y55 AromaticContact CE1-CG 3.86Å; F46-Y55 HydrophobicContact CE1-CG 3.86Å; F46-Y55 AromaticContact CE1-CZ 3.89Å; F46-Y55 AromaticContact CZ-CD2 3.96Å; F46-Y55 HydrophobicContact CZ-CD2 3.96Å; F46-Y55 AromaticContact CZ-CE2 3.86Å; F46-Y55 HydrophobicContact CZ-CE2 3.86Å; F46-Y55 HydrophobicContact CZ-CG 4.39Å; K47-Y55 PolarHBondContact O-N 3.3Å; Y55-G57 VanDerWaalsContact CE1-CA 3.4Å; Y55-V59 HydrophobicContact CD1-CG2 3.35Å; Y55-V59 HydrophobicContact CE1-CG2 3.84Å; Y55-V59 HydrophobicContact CG-CG2 4.18Å; Y55-V68 HydrophobicContact CE1-CG1 3.7Å; Y55-V68 WeakPolarHBondContact OH-CG1 3.47Å; Y55-D69 PolarHBondContact OH-OD2 2.77Å
56H95.5Very high97.6Very high192 Ų19269.4 Ų69.489%0.88939%0.386SS*.SBendtrans-81.5-21.7-174-65.9-68.5000113.7R54R54-H56 PolarHBondContact O-N 3.02Å
57G96.4Very high97.6Very high35 Ų3572.4 Ų72.436%0.36140%0.398SS..SBendtrans-83.8-169.7176.400000113.2Y55 D69Y55-G57 VanDerWaalsContact CE1-CA 3.4Å; G57-D69 WeakPolarHBondContact CA-OD1 3.32Å
58E97.5Very high97.6Very high129 Ų12968.3 Ų68.360%0.60338%0.38SS*.  trans-92.9134.5178.7-167.5-179.9167.500110.9V68 D69E58-V68 WeakPolarHBondContact O-CA 3.41Å; E58-D69 PolarHBondContact N-OD1 3.31Å; E58-D69 PolarHBondContact O-N 2.63Å
59V98.1Very high97.5Very high13 Ų1367.2 Ų67.28%0.07938%0.381CS..EExtended strand (participates in β ladder)trans-133.1120.4174.7-1660000108.1V43 F46 Y55 L66 Y67 V68V43-V59 HydrophobicContact CB-CG1 4.31Å; V43-V59 HydrophobicContact CG1-CB 4.4Å; V43-V59 HydrophobicContact CG1-CG1 4.01Å; V43-V59 HydrophobicContact CG2-CG1 4.24Å; F46-V59 HydrophobicContact CD1-CB 4.38Å; F46-V59 HydrophobicContact CD1-CG1 3.87Å; F46-V59 HydrophobicContact CD1-CG2 3.56Å; F46-V59 HydrophobicContact CE1-CG2 3.9Å; Y55-V59 HydrophobicContact CD1-CG2 3.35Å; Y55-V59 HydrophobicContact CE1-CG2 3.84Å; Y55-V59 HydrophobicContact CG-CG2 4.18Å; V59-L66 HydrophobicContact CG1-CD1 3.93Å; V59-Y67 WeakPolarHBondContact CA-O 3.27Å; V59-V68 HydrophobicContact CG1-CG2 4.41Å
60S98.4Very high97.3Very high42 Ų4269.5 Ų69.529%0.29441%0.408SS..EExtended strand (participates in β ladder)trans-145.4175.818061.10000110.1Y67S60-Y67 PolarHBondContact N-O 3.26Å; S60-Y67 PolarHBondContact O-N 2.87Å
61H97.9Very high97.2Very high91 Ų9168 Ų6842%0.42139%0.385SS..EExtended strand (participates in β ladder)trans-134.7141.4172.667.475000109.8L39 V43 K65L39-H61 HydrophobicContact CD1-CB 3.91Å; L39-H61 HydrophobicContact CD2-CB 3.82Å; L39-H61 HydrophobicContact CG-CB 3.65Å; V43-H61 HydrophobicContact CG2-CB 3.91Å; H61-K65 VanDerWaalsContact CA-O 3.27Å; H61-K65 WeakPolarHBondContact CA-O 3.42Å
62D96.8Very high97.1Very high108 Ų10868.5 Ų68.558%0.57839%0.392SS*.EExtended strand (participates in β ladder)trans-154.5145.8175-178.236.5000110.2G64 K65 Y67D62-G64 PolarHBondContact O-N 3.44Å; D62-G64 VanDerWaalsContact O-N 3.1Å; D62-K65 PolarHBondContact N-O 3.34Å; D62-K65 PolarHBondContact O-N 3.22Å; D62-Y67 HydrophobicContact CB-CD2 4.24Å; D62-Y67 HydrophobicContact CB-CE2 3.85Å
63G92.8Very high97.2Very high71 Ų7167.3 Ų67.373%0.73239%0.387SS*.THydrogen-bonded Turntrans53.833.6176.400000115.1K65G63-K65 VanDerWaalsContact C-N 3.28Å; G63-K65 PolarHBondContact O-N 3.14Å
64G94.5Very high97.2Very high52 Ų5266.9 Ų66.954%0.53638%0.378SS..THydrogen-bonded Turntrans74.213.1-177.700000114.9L39 D62L39-G64 VanDerWaalsContact CD2-C 3.48Å; D62-G64 PolarHBondContact O-N 3.44Å; D62-G64 VanDerWaalsContact O-N 3.1Å
65K97.9Very high97.2Very high88 Ų8859.7 Ų59.738%0.38335%0.354SS..EExtended strand (participates in β ladder)trans-118.3150.5177.7-64.1-175.3-178.2177.70111.4H61 D62 G63 Y67 A72 I73H61-K65 VanDerWaalsContact CA-O 3.27Å; H61-K65 WeakPolarHBondContact CA-O 3.42Å; D62-K65 PolarHBondContact N-O 3.34Å; D62-K65 PolarHBondContact O-N 3.22Å; G63-K65 VanDerWaalsContact C-N 3.28Å; G63-K65 PolarHBondContact O-N 3.14Å; K65-Y67 HydrophobicContact CB-CE2 4.05Å; K65-A72 HydrophobicContact CD-CB 4.12Å; K65-I73 WeakPolarHBondContact CA-O 3.42Å; K65-I73 WeakPolarHBondContact CB-O 3.41Å
66L98.6Very high97.2Very high0 Ų060 Ų600%036%0.356CS..EExtended strand (participates in β ladder)trans-83135.8168.1178.170.1000108.4I32 L39 V43 V59 V68 A72 I73 V75I32-L66 HydrophobicContact CD1-CD2 3.76Å; L39-L66 HydrophobicContact CD1-CB 3.81Å; L39-L66 HydrophobicContact CD1-CD1 4.48Å; V43-L66 HydrophobicContact CG2-CD1 3.52Å; V59-L66 HydrophobicContact CG1-CD1 3.93Å; L66-V68 HydrophobicContact CD2-CG2 4.1Å; L66-V68 HydrophobicContact CG-CG2 4.09Å; L66-A72 CarbonylContact O-C 3.55Å; L66-I73 HydrophobicContact CB-CB 4.27Å; L66-I73 HydrophobicContact CD2-CD1 4.42Å; L66-I73 PolarHBondContact N-O 3.28Å; L66-I73 PolarHBondContact O-N 3.05Å; L66-V75 HydrophobicContact CB-CG2 3.92Å
67Y98.4Very high97.3Very high64 Ų6455.7 Ų55.725%0.25134%0.337SS..EExtended strand (participates in β ladder)trans-113.7127.5171.8-75.6-98.5000109.4V59 S60 D62 K65 K71 A72V59-Y67 WeakPolarHBondContact CA-O 3.27Å; S60-Y67 PolarHBondContact N-O 3.26Å; S60-Y67 PolarHBondContact O-N 2.87Å; D62-Y67 HydrophobicContact CB-CD2 4.24Å; D62-Y67 HydrophobicContact CB-CE2 3.85Å; K65-Y67 HydrophobicContact CB-CE2 4.05Å; Y67-K71 WeakPolarHBondContact CA-O 3.27Å; Y67-A72 HydrophobicContact CD1-CB 4.08Å; Y67-A72 HydrophobicContact CE1-CB 3.53Å; Y67-A72 HydrophobicContact CE2-CB 4.43Å
68V98.1Very high97.4Very high0 Ų055.3 Ų55.30%033%0.328CS..EExtended strand (participates in β ladder)trans-126.6118.1172.1-171.90000108.6L19 L23 F46 Y55 E58 V59 L66 G70 K71 I73L19-V68 HydrophobicContact CD2-CG2 4.39Å; L23-V68 HydrophobicContact CD1-CB 4.28Å; L23-V68 HydrophobicContact CD1-CG1 3.49Å; L23-V68 VanDerWaalsContact CD1-CG1 3.49Å; F46-V68 HydrophobicContact CD1-CG2 4.29Å; F46-V68 HydrophobicContact CE1-CG1 3.68Å; F46-V68 HydrophobicContact CE1-CG2 4.02Å; F46-V68 HydrophobicContact CZ-CG1 4.3Å; Y55-V68 HydrophobicContact CE1-CG1 3.7Å; Y55-V68 WeakPolarHBondContact OH-CG1 3.47Å; E58-V68 WeakPolarHBondContact O-CA 3.41Å; V59-V68 HydrophobicContact CG1-CG2 4.41Å; L66-V68 HydrophobicContact CD2-CG2 4.1Å; L66-V68 HydrophobicContact CG-CG2 4.09Å; V68-G70 PolarHBondContact O-N 3.24Å; V68-K71 PolarHBondContact N-O 3.33Å; V68-K71 VanDerWaalsContact O-CB 3.31Å; V68-K71 WeakPolarHBondContact O-CB 3.43Å; V68-K71 PolarHBondContact O-N 2.88Å; V68-I73 HydrophobicContact CG2-CD1 4.06Å
69D97Very high97.4Very high77 Ų7755 Ų5541%0.41233%0.328SS..THydrogen-bonded Turntrans48.846.1-174.1-59.4-29000112.6Y55 G57 E58 K71Y55-D69 PolarHBondContact OH-OD2 2.77Å; G57-D69 WeakPolarHBondContact CA-OD1 3.32Å; E58-D69 PolarHBondContact N-OD1 3.31Å; E58-D69 PolarHBondContact O-N 2.63Å; D69-K71 PolarHBondContact O-N 3.05Å
70G95.5Very high97.3Very high60 Ų6060.4 Ų60.462%0.61935%0.35SS*.THydrogen-bonded Turntrans73.9-2.2-178.500000115.5V68V68-G70 PolarHBondContact O-N 3.24Å
71K95.9Very high97.2Very high96 Ų9658.8 Ų58.842%0.41734%0.339SS..EExtended strand (participates in β ladder)trans-89.5119.5178.7-59.1173.3-175.7170.50110.5L23 Y67 V68 D69L23-K71 HydrophobicContact CD2-CD 4.16Å; Y67-K71 WeakPolarHBondContact CA-O 3.27Å; V68-K71 PolarHBondContact N-O 3.33Å; V68-K71 VanDerWaalsContact O-CB 3.31Å; V68-K71 WeakPolarHBondContact O-CB 3.43Å; V68-K71 PolarHBondContact O-N 2.88Å; D69-K71 PolarHBondContact O-N 3.05Å
72A97.7Very high97.2Very high43 Ų4356.4 Ų56.436%0.35534%0.335SS..EExtended strand (participates in β ladder)trans-74.4134.417700000112K65 L66 Y67K65-A72 HydrophobicContact CD-CB 4.12Å; L66-A72 CarbonylContact O-C 3.55Å; Y67-A72 HydrophobicContact CD1-CB 4.08Å; Y67-A72 HydrophobicContact CE1-CB 3.53Å; Y67-A72 HydrophobicContact CE2-CB 4.43Å
73I98.6Very high97.3Very high2 Ų256.2 Ų56.21%0.0133%0.331CS..EExtended strand (participates in β ladder)trans-128.5123179.5-51.9-178.5000108L19 V29 I32 K65 L66 V68L19-I73 HydrophobicContact CD1-CD1 4.01Å; L19-I73 HydrophobicContact CD2-CD1 4.41Å; V29-I73 HydrophobicContact CB-CD1 4.44Å; V29-I73 HydrophobicContact CG1-CD1 4.41Å; V29-I73 HydrophobicContact CG1-CG2 4.35Å; I32-I73 HydrophobicContact CD1-CD1 4.45Å; I32-I73 HydrophobicContact CD1-CG2 3.8Å; I32-I73 HydrophobicContact CG1-CG2 3.85Å; K65-I73 WeakPolarHBondContact CA-O 3.42Å; K65-I73 WeakPolarHBondContact CB-O 3.41Å; L66-I73 HydrophobicContact CB-CB 4.27Å; L66-I73 HydrophobicContact CD2-CD1 4.42Å; L66-I73 PolarHBondContact N-O 3.28Å; L66-I73 PolarHBondContact O-N 3.05Å; V68-I73 HydrophobicContact CG2-CD1 4.06Å
74S98.5Very high97.6Very high26 Ų2652.9 Ų52.918%0.18230%0.296CS..EExtended strand (participates in β ladder)trans-68.3138.6175.5-61.20000110.3V30 A31 I32V30-S74 PolarHBondContact O-N 2.78Å; A31-S74 CarbonylContact C-O 3.59Å; A31-S74 VanDerWaalsContact CA-O 3.24Å; A31-S74 WeakPolarHBondContact CA-O 3.47Å; I32-S74 PolarHBondContact N-O 2.82Å
75V98.4Very high97.7Very high28 Ų2852.6 Ų52.617%0.1729%0.285CS..EExtended strand (participates in β ladder)trans-115.8135.4179.2174.20000110.2I32 L39 M42 L66I32-V75 CarbonylContact O-C 3.52Å; I32-V75 WeakPolarHBondContact O-CA 3.46Å; L39-V75 HydrophobicContact CD1-CB 4.4Å; L39-V75 HydrophobicContact CD1-CG2 3.8Å; M42-V75 HydrophobicContact CE-CG1 3.53Å; M42-V75 HydrophobicContact SD-CB 4.44Å; M42-V75 HydrophobicContact SD-CG1 3.62Å; M42-V75 HydrophobicContact SD-CG2 3.89Å; L66-V75 HydrophobicContact CB-CG2 3.92Å
76F98.4Very high97.8Very high42 Ų4248.4 Ų48.418%0.18427%0.267CS..EExtended strand (participates in β ladder)trans-127.1155.5177.6-54.5-65.4000110.5A31 I32 N33 D34 I84 P85 A89A31-F76 HydrophobicContact CB-CD2 4.42Å; A31-F76 HydrophobicContact CB-CE2 3.9Å; I32-F76 PolarHBondContact O-N 2.81Å; N33-F76 WeakPolarHBondContact CA-O 3.42Å; N33-F76 HydrophobicContact CB-CB 4.12Å; N33-F76 VanDerWaalsContact OD1-CB 3.32Å; N33-F76 WeakPolarHBondContact OD1-CB 3.28Å; N33-F76 PolarHBondContact OD1-O 3Å; D34-F76 PolarHBondContact N-O 2.86Å; F76-I84 HydrophobicContact CB-CG2 4.33Å; F76-I84 HydrophobicContact CD2-CG2 3.72Å; F76-I84 HydrophobicContact CE2-CG2 4.34Å; F76-I84 HydrophobicContact CG-CG2 4.16Å; F76-P85 HydrophobicContact CD1-CG 4.01Å; F76-P85 HydrophobicContact CE1-CG 3.44Å; F76-P85 VanDerWaalsContact CE1-CG 3.44Å; F76-P85 HydrophobicContact CE2-CG 4.29Å; F76-P85 HydrophobicContact CZ-CG 3.61Å; F76-A89 HydrophobicContact CE2-CB 3.97Å; F76-A89 HydrophobicContact CZ-CB 4.02Å
77Q97.9Very high97.7Very high103 Ų10350.5 Ų50.548%0.48129%0.288SS..  trans-131.440.6178.8-63.6-163.1-70.500110.9N33 I37N33-Q77 PolarHBondContact OD1-N 2.93Å; I37-Q77 PolarHBondContact O-NE2 3.38Å; I37-Q77 VanDerWaalsContact O-NE2 3.08Å
78C98Very high97.6Very high27 Ų2752.9 Ų52.918%0.18231%0.314CS..  trans-80.1131.2-179.9-57.30000110.1N33 E83 I84N33-C78 PolarHBondContact ND2-O 2.84Å; N33-C78 PolarHBondContact OD1-N 3.03Å; C78-E83 HydrophobicContact CB-CB 4.24Å; C78-I84 HydrophobicContact CB-CG1 3.67Å
79M97Very high97.5Very high121 Ų12153.8 Ų53.860%0.59632%0.322SS*.SBendtrans-73.9-32.8172.9-71.9-68-6900112.1P35 F36P35-M79 HydrophobicContact CB-CG 4.06Å; P35-M79 HydrophobicContact CB-SD 3.41Å; P35-M79 WeakPolarHBondContact CB-SD 3.04Å; P35-M79 HydrophobicContact CG-CG 4.44Å; P35-M79 HydrophobicContact CG-SD 3.42Å; P35-M79 WeakPolarHBondContact CG-SD 3.43Å; F36-M79 HydrophobicContact CE1-CE 4.41Å; F36-M79 HydrophobicContact CE1-SD 4.16Å; F36-M79 HydrophobicContact CZ-CE 3.97Å; F36-M79 HydrophobicContact CZ-SD 3.92Å
80K97Very high97.5Very high128 Ų12851.9 Ų51.956%0.55732%0.32SS*.SBendtrans-102.6126.2-179.8-55.3-164-155.3113.30110.6A82 E83K80-A82 PolarHBondContact O-N 3.04Å; K80-A82 VanDerWaalsContact O-N 3.13Å; K80-E83 HydrophobicContact CB-CG 4.07Å; K80-E83 WeakPolarHBondContact CD-OE1 3.36Å; K80-E83 IonicContact NZ-OE1 3.7Å; K80-E83 PolarHBondContact NZ-OE1 2.66Å; K80-E83 PolarHBondContact O-N 2.89Å
81P97.2Very high97.7Very high7 Ų749 Ų495%0.04529%0.291CS..G310 helixtrans-50.6-34.5176.4-37.141.3000116.3E83 I84 F101 A109 H110P81-E83 VanDerWaalsContact C-N 3.28Å; P81-E83 PolarHBondContact O-N 3.11Å; P81-I84 PolarHBondContact O-N 3.23Å; P81-F101 HydrophobicContact CG-CD1 3.78Å; P81-F101 HydrophobicContact CG-CD2 3.57Å; P81-F101 HydrophobicContact CG-CE1 3.64Å; P81-F101 HydrophobicContact CG-CE2 3.43Å; P81-F101 VanDerWaalsContact CG-CE2 3.43Å; P81-F101 HydrophobicContact CG-CG 3.75Å; P81-F101 HydrophobicContact CG-CZ 3.47Å; P81-F101 VanDerWaalsContact CG-CZ 3.47Å; P81-A109 HydrophobicContact CB-CB 3.67Å; P81-H110 VanDerWaalsContact CB-CE1 3.46Å; P81-H110 WeakPolarHBondContact CB-CE1 3.36Å
82A97.5Very high97.8Very high42 Ų4249 Ų4935%0.34729%0.29SS..G310 helixtrans-72-18.8-179.500000114K80 I84 A109 Q112K80-A82 PolarHBondContact O-N 3.04Å; K80-A82 VanDerWaalsContact O-N 3.13Å; A82-I84 VanDerWaalsContact C-N 3.34Å; A82-A109 VanDerWaalsContact CA-O 3.28Å; A82-A109 WeakPolarHBondContact CA-O 3.37Å; A82-A109 HydrophobicContact CB-CB 4.09Å; A82-Q112 HydrophobicContact CB-CB 4.4Å
83E98Very high97.8Very high103 Ų10347.1 Ų47.148%0.48127%0.274SS..G310 helixtrans-86.6-9.4178.7-64.9168.9-169.500111.8C78 K80 P81 P85C78-E83 HydrophobicContact CB-CB 4.24Å; K80-E83 HydrophobicContact CB-CG 4.07Å; K80-E83 WeakPolarHBondContact CD-OE1 3.36Å; K80-E83 IonicContact NZ-OE1 3.7Å; K80-E83 PolarHBondContact NZ-OE1 2.66Å; K80-E83 PolarHBondContact O-N 2.89Å; P81-E83 VanDerWaalsContact C-N 3.28Å; P81-E83 PolarHBondContact O-N 3.11Å; E83-P85 WeakPolarHBondContact O-CD 3.18Å
84I98.6Very high97.8Very high1 Ų147.1 Ų47.11%0.00527%0.274CS..SBendtrans-78.2120.8-178.4-50.6165.6000109.2N33 F76 C78 P81 A82 W86 G113N33-I84 HydrophobicContact CB-CD1 3.77Å; N33-I84 HydrophobicContact CB-CG1 4.26Å; N33-I84 HydrophobicContact CB-CG2 4.26Å; N33-I84 WeakPolarHBondContact ND2-CD1 3.28Å; F76-I84 HydrophobicContact CB-CG2 4.33Å; F76-I84 HydrophobicContact CD2-CG2 3.72Å; F76-I84 HydrophobicContact CE2-CG2 4.34Å; F76-I84 HydrophobicContact CG-CG2 4.16Å; C78-I84 HydrophobicContact CB-CG1 3.67Å; P81-I84 PolarHBondContact O-N 3.23Å; A82-I84 VanDerWaalsContact C-N 3.34Å; I84-W86 HydrophobicContact CB-CD2 4.27Å; I84-W86 HydrophobicContact CB-CZ2 4.11Å; I84-W86 HydrophobicContact CD1-CH2 4.37Å; I84-W86 HydrophobicContact CD1-CZ2 3.54Å; I84-W86 HydrophobicContact CG1-CZ2 4.39Å; I84-W86 HydrophobicContact CG2-CD2 3.58Å; I84-W86 VanDerWaalsContact CG2-CE2 3.41Å; I84-W86 HydrophobicContact CG2-CE3 3.83Å; I84-W86 HydrophobicContact CG2-CG 4.22Å; I84-W86 HydrophobicContact CG2-CH2 3.81Å; I84-W86 HydrophobicContact CG2-CZ2 3.56Å; I84-W86 HydrophobicContact CG2-CZ3 3.93Å; I84-W86 PolarHBondContact O-N 3.28Å; I84-G113 VanDerWaalsContact O-CA 3.3Å; I84-G113 WeakPolarHBondContact O-CA 3.24Å
85P97.9Very high97.8Very high47 Ų4745.9 Ų45.931%0.30527%0.265SS..  trans-84.563.1-174.735.5-36.4000111.7F76 E83 G87 S88 A89F76-P85 HydrophobicContact CD1-CG 4.01Å; F76-P85 HydrophobicContact CE1-CG 3.44Å; F76-P85 VanDerWaalsContact CE1-CG 3.44Å; F76-P85 HydrophobicContact CE2-CG 4.29Å; F76-P85 HydrophobicContact CZ-CG 3.61Å; E83-P85 WeakPolarHBondContact O-CD 3.18Å; P85-G87 VanDerWaalsContact C-N 3.31Å; P85-G87 PolarHBondContact O-N 2.89Å; P85-S88 PolarHBondContact O-N 2.97Å; P85-A89 PolarHBondContact O-N 3.28Å; P85-A89 VanDerWaalsContact O-N 3.13Å
86W98.6Very high97.9Very high0 Ų044.5 Ų44.50%026%0.257CS..Hα-helixtrans-55.9-43.6-179.2-63126.3000112.9N9 A31 N33 I84 S88 A89 G90 A91 V94 H110 G113 A115N9-W86 HydrophobicContact CB-CZ2 4.16Å; A31-W86 HydrophobicContact CB-CE3 3.74Å; A31-W86 HydrophobicContact CB-CZ3 3.51Å; N33-W86 HydrophobicContact CB-CH2 3.95Å; N33-W86 HydrophobicContact CB-CZ2 4.38Å; I84-W86 HydrophobicContact CB-CD2 4.27Å; I84-W86 HydrophobicContact CB-CZ2 4.11Å; I84-W86 HydrophobicContact CD1-CH2 4.37Å; I84-W86 HydrophobicContact CD1-CZ2 3.54Å; I84-W86 HydrophobicContact CG1-CZ2 4.39Å; I84-W86 HydrophobicContact CG2-CD2 3.58Å; I84-W86 VanDerWaalsContact CG2-CE2 3.41Å; I84-W86 HydrophobicContact CG2-CE3 3.83Å; I84-W86 HydrophobicContact CG2-CG 4.22Å; I84-W86 HydrophobicContact CG2-CH2 3.81Å; I84-W86 HydrophobicContact CG2-CZ2 3.56Å; I84-W86 HydrophobicContact CG2-CZ3 3.93Å; I84-W86 PolarHBondContact O-N 3.28Å; W86-S88 PolarHBondContact O-N 3.4Å; W86-A89 CarbonylContact O-C 3.5Å; W86-A89 PolarHBondContact O-N 3.23Å; W86-A89 VanDerWaalsContact O-N 3.12Å; W86-G90 PolarHBondContact O-N 2.96Å; W86-A91 HydrophobicContact CB-CB 4.14Å; W86-A91 HydrophobicContact CD2-CB 4.42Å; W86-A91 HydrophobicContact CE3-CB 3.81Å; W86-A91 PolarHBondContact O-N 3.22Å; W86-V94 HydrophobicContact CD2-CG2 3.76Å; W86-V94 HydrophobicContact CE3-CG2 4.34Å; W86-V94 HydrophobicContact CG-CG2 3.91Å; W86-V94 HydrophobicContact CZ2-CG1 3.98Å; W86-V94 HydrophobicContact CZ2-CG2 4.22Å; W86-H110 AromaticContact CE2-ND1 3.91Å; W86-H110 AromaticContact NE1-CG 3.75Å; W86-H110 AromaticContact NE1-ND1 3.11Å; W86-H110 PolarHBondContact NE1-ND1 3.09Å; W86-H110 VanDerWaalsContact NE1-ND1 3.11Å; W86-G113 WeakPolarHBondContact CB-O 3.46Å; W86-G113 PolarHBondContact N-O 3.15Å; W86-A115 HydrophobicContact CB-CB 4.34Å; W86-A115 HydrophobicContact CG-CB 4.41Å
87G96.8Very high97.9Very high43 Ų4343.3 Ų43.344%0.44325%0.254SS..Hα-helixtrans-58-45.9178.900000112.3P85 A89 G90 G113P85-G87 VanDerWaalsContact C-N 3.31Å; P85-G87 PolarHBondContact O-N 2.89Å; G87-A89 VanDerWaalsContact C-N 3.29Å; G87-A89 PolarHBondContact O-N 3.22Å; G87-G90 PolarHBondContact O-N 3.32Å; G87-G90 VanDerWaalsContact O-N 3.08Å; G87-G113 PolarHBondContact N-O 3.13Å
88S96.6Very high97.9Very high115 Ų11540.7 Ų40.780%0.80425%0.245SC*.Hα-helixtrans-66.5-30.3177.4-55.90000112.9P85 W86 G90P85-S88 PolarHBondContact O-N 2.97Å; W86-S88 PolarHBondContact O-N 3.4Å; S88-G90 VanDerWaalsContact C-N 3.29Å
89A97.3Very high97.8Very high19 Ų1941.7 Ų41.716%0.15726%0.26CS..Hα-helixtrans-82.2-6.617500000113.6V30 A31 F76 P85 W86 G87 A91V30-A89 WeakPolarHBondContact CG2-O 3.35Å; A31-A89 HydrophobicContact CB-CB 3.79Å; F76-A89 HydrophobicContact CE2-CB 3.97Å; F76-A89 HydrophobicContact CZ-CB 4.02Å; P85-A89 PolarHBondContact O-N 3.28Å; P85-A89 VanDerWaalsContact O-N 3.13Å; W86-A89 CarbonylContact O-C 3.5Å; W86-A89 PolarHBondContact O-N 3.23Å; W86-A89 VanDerWaalsContact O-N 3.12Å; G87-A89 VanDerWaalsContact C-N 3.29Å; G87-A89 PolarHBondContact O-N 3.22Å; A89-A91 VanDerWaalsContact C-N 3.32Å
90G97Very high97.8Very high36 Ų3640 Ų4037%0.37126%0.256SS..THydrogen-bonded Turntrans76.613.1-177.200000114.6C5 W86 G87 S88 K92C5-G90 WeakPolarHBondContact CB-O 3.27Å; W86-G90 PolarHBondContact O-N 2.96Å; G87-G90 PolarHBondContact O-N 3.32Å; G87-G90 VanDerWaalsContact O-N 3.08Å; S88-G90 VanDerWaalsContact C-N 3.29Å; G90-K92 PolarHBondContact O-N 3.46Å
91A98.3Very high97.8Very high1 Ų136 Ų361%0.00824%0.239CC..  trans-78.6100.8178.800000110.4V30 A31 W86 A89V30-A91 HydrophobicContact CG2-CB 3.77Å; A31-A91 HydrophobicContact CB-CB 4.37Å; W86-A91 HydrophobicContact CB-CB 4.14Å; W86-A91 HydrophobicContact CD2-CB 4.42Å; W86-A91 HydrophobicContact CE3-CB 3.81Å; W86-A91 PolarHBondContact O-N 3.22Å; A89-A91 VanDerWaalsContact C-N 3.32Å
92K97.5Very high97.8Very high95 Ų9537.9 Ų37.941%0.41325%0.248SC..  trans-80.3-36.6177.7-67-176.9179.3179.10111.9C5 G90 Q116 R117C5-K92 PolarHBondContact O-N 3.1Å; C5-K92 VanDerWaalsContact O-N 3.09Å; G90-K92 PolarHBondContact O-N 3.46Å; K92-Q116 WeakPolarHBondContact O-CA 3.36Å; K92-Q116 WeakPolarHBondContact O-CB 3.36Å; K92-Q116 PolarHBondContact O-N 3.29Å; K92-R117 PolarHBondContact O-N 2.97Å; K92-R117 VanDerWaalsContact O-N 3.09Å
93Y98.8Very high97.9Very high4 Ų436.7 Ų36.72%0.01624%0.238CC..EExtended strand (participates in β ladder)trans-109.2141.9177.6-80.6-119.8000108.9L4 C5 V6 G7 R117 L328 M331 Y332 E335L4-Y93 HydrophobicContact CD1-CD1 4.22Å; L4-Y93 HydrophobicContact CD1-CD2 3.48Å; L4-Y93 VanDerWaalsContact CD1-CD2 3.48Å; L4-Y93 HydrophobicContact CD1-CE1 4.47Å; L4-Y93 HydrophobicContact CD1-CE2 3.84Å; L4-Y93 HydrophobicContact CD1-CG 3.7Å; C5-Y93 PolarHBondContact O-N 3.06Å; C5-Y93 VanDerWaalsContact O-N 3.15Å; V6-Y93 CarbonylContact C-O 3.5Å; V6-Y93 VanDerWaalsContact CA-O 3.28Å; V6-Y93 WeakPolarHBondContact CA-O 3.47Å; G7-Y93 PolarHBondContact N-O 3.41Å; Y93-R117 CarbonylContact C-O 3.56Å; Y93-R117 WeakPolarHBondContact CA-O 3.43Å; Y93-R117 HydrophobicContact CD1-CB 3.63Å; Y93-R117 HydrophobicContact CD1-CG 4.17Å; Y93-R117 HydrophobicContact CD2-CB 4.17Å; Y93-R117 HydrophobicContact CD2-CG 4.26Å; Y93-R117 HydrophobicContact CE1-CB 3.69Å; Y93-R117 HydrophobicContact CE1-CG 3.74Å; Y93-R117 HydrophobicContact CE2-CB 4.17Å; Y93-R117 HydrophobicContact CE2-CG 3.78Å; Y93-R117 HydrophobicContact CG-CB 3.91Å; Y93-R117 HydrophobicContact CG-CG 4.44Å; Y93-L328 HydrophobicContact CD1-CD2 3.63Å; Y93-L328 HydrophobicContact CG-CD2 4.27Å; Y93-M331 HydrophobicContact CE1-CB 3.78Å; Y93-M331 HydrophobicContact CE1-CE 4.01Å; Y93-M331 HydrophobicContact CE1-SD 4.39Å; Y93-Y332 HydrophobicContact CE2-CD2 4.33Å; Y93-Y332 WeakPolarHBondContact OH-CA 3.36Å; Y93-Y332 PolarHBondContact OH-N 3.04Å; Y93-E335 WeakPolarHBondContact OH-CG 3.36Å; Y93-E335 PolarHBondContact OH-OE1 2.91Å
94V98.9Very high97.9Very high1 Ų134.8 Ų34.81%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-123.4132.8175.9173.10000110.2G7 N9 W86 H110 A115 R117 V118 V119G7-V94 CarbonylContact O-C 3.39Å; G7-V94 WeakPolarHBondContact O-CA 3.2Å; N9-V94 HydrophobicContact CB-CG1 4.5Å; W86-V94 HydrophobicContact CD2-CG2 3.76Å; W86-V94 HydrophobicContact CE3-CG2 4.34Å; W86-V94 HydrophobicContact CG-CG2 3.91Å; W86-V94 HydrophobicContact CZ2-CG1 3.98Å; W86-V94 HydrophobicContact CZ2-CG2 4.22Å; V94-H110 HydrophobicContact CG1-CB 4.45Å; V94-A115 HydrophobicContact CB-CB 4.4Å; V94-A115 HydrophobicContact CG2-CB 3.55Å; V94-R117 PolarHBondContact N-O 3.18Å; V94-V118 CarbonylContact O-C 3.52Å; V94-V118 WeakPolarHBondContact O-CA 3.22Å; V94-V119 PolarHBondContact O-N 2.95Å
95V98.9Very high97.8Very high0 Ų042.6 Ų42.60%027%0.267CS..EExtended strand (participates in β ladder)trans-92.3115165.7179.40000108.2V6 G7 I8 N9 V18 V119 V324 L328V6-V95 HydrophobicContact CG1-CG2 4.01Å; G7-V95 PolarHBondContact O-N 3.19Å; I8-V95 HydrophobicContact CG1-CB 4.46Å; N9-V95 PolarHBondContact N-O 3.33Å; V18-V95 HydrophobicContact CG1-CG1 4.39Å; V18-V95 HydrophobicContact CG1-CG2 4.11Å; V95-V119 WeakPolarHBondContact CA-O 3.28Å; V95-V324 HydrophobicContact CG1-CG1 3.91Å; V95-V324 HydrophobicContact CG2-CG1 3.78Å; V95-L328 HydrophobicContact CG2-CD1 3.73Å; V95-L328 HydrophobicContact CG2-CD2 4.35Å; V95-L328 HydrophobicContact CG2-CG 4.46Å
96E98.9Very high97.8Very high0 Ų045.4 Ų45.40%027%0.274CS..EExtended strand (participates in β ladder)trans-91.1101174.4168.942.9-114.700109N9 T98 F101 H110 V118 V119 V120 S121N9-E96 PolarHBondContact ND2-OE2 2.91Å; E96-T98 WeakPolarHBondContact OE1-CA 3.45Å; E96-T98 WeakPolarHBondContact OE1-CB 3.4Å; E96-T98 WeakPolarHBondContact OE1-CG2 3.31Å; E96-T98 PolarHBondContact OE1-N 2.76Å; E96-T98 PolarHBondContact OE1-OG1 2.85Å; E96-F101 HydrophobicContact CG-CB 4.05Å; E96-F101 WeakPolarHBondContact CG-O 3.38Å; E96-F101 WeakPolarHBondContact OE2-CD2 3.44Å; E96-H110 IonicContact OE2-CE1 3.85Å; E96-H110 IonicContact OE2-NE2 3.05Å; E96-H110 PolarHBondContact OE2-NE2 2.82Å; E96-V118 HydrophobicContact CB-CG1 3.99Å; E96-V119 PolarHBondContact N-O 2.76Å; E96-V120 HydrophobicContact CB-CG2 4.47Å; E96-S121 PolarHBondContact O-N 3.37Å; E96-S121 PolarHBondContact O-OG 2.82Å
97S98.7Very high97.8Very high16 Ų1645.4 Ų45.411%0.11227%0.274CS..  trans-124.521.8-173.7570000114.7N9 G10 S121N9-S97 CarbonylContact O-C 3.55Å; N9-S97 WeakPolarHBondContact O-CA 3.35Å; N9-S97 PolarHBondContact O-N 2.88Å; N9-S97 PolarHBondContact O-OG 3.34Å; G10-S97 PolarHBondContact O-OG 2.79Å; S97-S121 WeakPolarHBondContact CA-OG 3.38Å; S97-S121 WeakPolarHBondContact CB-OG 3.35Å
98T98.4Very high97.9Very high48 Ų4846.3 Ų46.329%0.29427%0.269SS..SBendtrans-77-27.1175.370.80000112.6N9 E96 V100 F101N9-T98 HydrophobicContact CB-CG2 4.35Å; N9-T98 WeakPolarHBondContact ND2-CG2 3.37Å; N9-T98 PolarHBondContact O-N 2.88Å; E96-T98 WeakPolarHBondContact OE1-CA 3.45Å; E96-T98 WeakPolarHBondContact OE1-CB 3.4Å; E96-T98 WeakPolarHBondContact OE1-CG2 3.31Å; E96-T98 PolarHBondContact OE1-N 2.76Å; E96-T98 PolarHBondContact OE1-OG1 2.85Å; T98-V100 VanDerWaalsContact C-N 3.31Å; T98-V100 PolarHBondContact OG1-N 2.91Å; T98-F101 HydrophobicContact CG2-CD2 4.28Å; T98-F101 HydrophobicContact CG2-CE2 4.36Å; T98-F101 WeakPolarHBondContact OG1-CD2 3.44Å
99G96.1Very high97.9Very high48 Ų4841.6 Ų41.650%0.49524%0.237SC..SBendtrans81.15.1-171.600000114.7
100V96.5Very high98Very high85 Ų8540.7 Ų40.752%0.51523%0.23SC..SBendtrans-109.2-37.3-175.5-177.80000112.6T98 L102T98-V100 VanDerWaalsContact C-N 3.31Å; T98-V100 PolarHBondContact OG1-N 2.91Å; V100-L102 PolarHBondContact O-N 2.97Å
101F97.8Very high98.1Very high44 Ų4441.3 Ų41.319%0.19322%0.224CC..  trans-99.562-173.6-52.5-72.4000112.1P81 E96 T98 K106P81-F101 HydrophobicContact CG-CD1 3.78Å; P81-F101 HydrophobicContact CG-CD2 3.57Å; P81-F101 HydrophobicContact CG-CE1 3.64Å; P81-F101 HydrophobicContact CG-CE2 3.43Å; P81-F101 VanDerWaalsContact CG-CE2 3.43Å; P81-F101 HydrophobicContact CG-CG 3.75Å; P81-F101 HydrophobicContact CG-CZ 3.47Å; P81-F101 VanDerWaalsContact CG-CZ 3.47Å; E96-F101 HydrophobicContact CG-CB 4.05Å; E96-F101 WeakPolarHBondContact CG-O 3.38Å; E96-F101 WeakPolarHBondContact OE2-CD2 3.44Å; T98-F101 HydrophobicContact CG2-CD2 4.28Å; T98-F101 HydrophobicContact CG2-CE2 4.36Å; T98-F101 WeakPolarHBondContact OG1-CD2 3.44Å; F101-K106 HydrophobicContact CB-CB 3.97Å; F101-K106 HydrophobicContact CD1-CB 4.12Å; F101-K106 HydrophobicContact CD1-CD 4.46Å
102L97.4Very high97.9Very high47 Ų4747.8 Ų47.825%0.24625%0.254CS..  trans-88.9-24.3-167.6-57.1-177000115.5V100 V120 A122 S124V100-L102 PolarHBondContact O-N 2.97Å; L102-V120 HydrophobicContact CD2-CG1 3.67Å; L102-A122 HydrophobicContact CD2-CB 3.79Å; L102-S124 VanDerWaalsContact O-CB 3.26Å; L102-S124 WeakPolarHBondContact O-CB 3.16Å; L102-S124 PolarHBondContact O-OG 3.05Å
103S98.1Very high97.9Very high18 Ų1843.9 Ų43.913%0.12624%0.24CC..SBendtrans-84.5160.3-179.660.50000111.9E105 K106 A107 D126S103-E105 VanDerWaalsContact C-N 3.27Å; S103-E105 PolarHBondContact O-N 2.81Å; S103-K106 PolarHBondContact O-N 3.23Å; S103-K106 WeakPolarHBondContact OG-CG 3.48Å; S103-K106 PolarHBondContact OG-N 3.07Å; S103-A107 WeakPolarHBondContact O-CB 3.38Å; S103-A107 PolarHBondContact O-N 2.73Å; S103-D126 WeakPolarHBondContact CA-OD1 3.39Å
104L98.1Very high97.8Very high63 Ų6345.5 Ų45.533%0.3326%0.259SS..Hα-helixtrans-51.1-48.5172.3-71.8174.2000111.3K106 A107 N108 D126 A127 I146L104-K106 PolarHBondContact O-N 3.15Å; L104-A107 PolarHBondContact O-N 2.94Å; L104-N108 WeakPolarHBondContact O-CB 3.3Å; L104-N108 PolarHBondContact O-N 2.63Å; L104-D126 HydrophobicContact CD1-CB 4.22Å; L104-D126 HydrophobicContact CG-CB 4.4Å; L104-D126 PolarHBondContact N-OD1 2.82Å; L104-D126 PolarHBondContact N-OD2 3.24Å; L104-A127 HydrophobicContact CD2-CB 3.6Å; L104-A127 HydrophobicContact CG-CB 4.03Å; L104-I146 HydrophobicContact CD2-CB 3.69Å; L104-I146 HydrophobicContact CD2-CD1 4.36Å; L104-I146 HydrophobicContact CD2-CG2 3.86Å; L104-I146 WeakPolarHBondContact O-CD1 3.09Å
105E97.6Very high97.8Very high165 Ų16545.7 Ų45.777%0.77126%0.261SS*.Hα-helixtrans-56.2-48.6179-175.6-169.2169.600112.3S103S103-E105 VanDerWaalsContact C-N 3.27Å; S103-E105 PolarHBondContact O-N 2.81Å
106K98.1Very high97.7Very high105 Ų10550.8 Ų50.846%0.45728%0.284SS..Hα-helixtrans-71.8-42.8-176.8-75.1-179177.7-177.40112.1F101 S103 L104 N108 A109F101-K106 HydrophobicContact CB-CB 3.97Å; F101-K106 HydrophobicContact CD1-CB 4.12Å; F101-K106 HydrophobicContact CD1-CD 4.46Å; S103-K106 PolarHBondContact O-N 3.23Å; S103-K106 WeakPolarHBondContact OG-CG 3.48Å; S103-K106 PolarHBondContact OG-N 3.07Å; L104-K106 PolarHBondContact O-N 3.15Å; K106-N108 VanDerWaalsContact C-N 3.28Å; K106-N108 PolarHBondContact O-N 3.49Å; K106-A109 WeakPolarHBondContact O-CB 3.47Å; K106-A109 PolarHBondContact O-N 2.85Å
107A98.3Very high97.7Very high0 Ų052.2 Ų52.20%029%0.29CS..Hα-helixtrans-69-27.5178.900000112.2S103 L104 A109 H110 V118 V120 I146S103-A107 WeakPolarHBondContact O-CB 3.38Å; S103-A107 PolarHBondContact O-N 2.73Å; L104-A107 PolarHBondContact O-N 2.94Å; A107-A109 PolarHBondContact O-N 3.21Å; A107-A109 VanDerWaalsContact O-N 3.13Å; A107-H110 WeakPolarHBondContact O-CB 3.46Å; A107-H110 PolarHBondContact O-N 2.87Å; A107-V118 HydrophobicContact CB-CG1 4.21Å; A107-V120 HydrophobicContact CB-CG2 4.16Å; A107-I146 HydrophobicContact CB-CD1 4.16Å; A107-I146 HydrophobicContact CB-CG2 3.75Å
108N98.1Very high97.7Very high63 Ų6351.5 Ų51.534%0.33728%0.284SS..THydrogen-bonded Turntrans-61.4-20.6176.5-172.268.5000113.2L104 K106 H110 I111 Q112 I146L104-N108 WeakPolarHBondContact O-CB 3.3Å; L104-N108 PolarHBondContact O-N 2.63Å; K106-N108 VanDerWaalsContact C-N 3.28Å; K106-N108 PolarHBondContact O-N 3.49Å; N108-H110 PolarHBondContact O-N 3.42Å; N108-I111 WeakPolarHBondContact O-CB 3.35Å; N108-I111 PolarHBondContact O-N 2.71Å; N108-Q112 PolarHBondContact O-N 3.44Å; N108-I146 HydrophobicContact CB-CD1 3.85Å
109A98.1Very high97.7Very high16 Ų1649.2 Ų49.213%0.13227%0.27CS..Hα-helixtrans-58.9-27.1172.300000112.7P81 A82 K106 A107 Q112 G113P81-A109 HydrophobicContact CB-CB 3.67Å; A82-A109 VanDerWaalsContact CA-O 3.28Å; A82-A109 WeakPolarHBondContact CA-O 3.37Å; A82-A109 HydrophobicContact CB-CB 4.09Å; K106-A109 WeakPolarHBondContact O-CB 3.47Å; K106-A109 PolarHBondContact O-N 2.85Å; A107-A109 PolarHBondContact O-N 3.21Å; A107-A109 VanDerWaalsContact O-N 3.13Å; A109-Q112 WeakPolarHBondContact O-CB 3.41Å; A109-Q112 PolarHBondContact O-N 2.95Å; A109-G113 PolarHBondContact O-N 2.84Å
110H98.6Very high97.9Very high0 Ų046.9 Ų46.90%025%0.247CC..Hα-helixtrans-69.9-31.8172.2-66.9-49.3000113.6N9 P81 W86 V94 E96 A107 N108 Q112 G113 G114 A115 V118N9-H110 PolarHBondContact ND2-CE1 2.76Å; N9-H110 PolarHBondContact ND2-NE2 3.25Å; P81-H110 VanDerWaalsContact CB-CE1 3.46Å; P81-H110 WeakPolarHBondContact CB-CE1 3.36Å; W86-H110 AromaticContact CE2-ND1 3.91Å; W86-H110 AromaticContact NE1-CG 3.75Å; W86-H110 AromaticContact NE1-ND1 3.11Å; W86-H110 PolarHBondContact NE1-ND1 3.09Å; W86-H110 VanDerWaalsContact NE1-ND1 3.11Å; V94-H110 HydrophobicContact CG1-CB 4.45Å; E96-H110 IonicContact OE2-CE1 3.85Å; E96-H110 IonicContact OE2-NE2 3.05Å; E96-H110 PolarHBondContact OE2-NE2 2.82Å; A107-H110 WeakPolarHBondContact O-CB 3.46Å; A107-H110 PolarHBondContact O-N 2.87Å; N108-H110 PolarHBondContact O-N 3.42Å; H110-Q112 VanDerWaalsContact C-N 3.28Å; H110-Q112 PolarHBondContact O-N 3.11Å; H110-G113 CarbonylContact O-C 3.58Å; H110-G113 WeakPolarHBondContact O-CA 3.22Å; H110-G113 PolarHBondContact O-N 3.19Å; H110-G113 VanDerWaalsContact O-N 3.12Å; H110-G114 PolarHBondContact O-N 3.02Å; H110-A115 HydrophobicContact CB-CB 4.36Å; H110-A115 WeakPolarHBondContact O-CB 3.48Å; H110-A115 PolarHBondContact O-N 3.46Å; H110-A115 VanDerWaalsContact O-N 3.17Å; H110-V118 HydrophobicContact CB-CG2 3.87Å
111I98.3Very high98Very high49 Ų4943.5 Ų43.525%0.25123%0.227SC..Hα-helixtrans-65.3-37.6175.1-54.8-59.6000109.9N108 G113 G114 A115 V118N108-I111 WeakPolarHBondContact O-CB 3.35Å; N108-I111 PolarHBondContact O-N 2.71Å; I111-G113 PolarHBondContact O-N 3.38Å; I111-G114 PolarHBondContact O-N 3.2Å; I111-A115 WeakPolarHBondContact CA-O 3.41Å; I111-A115 HydrophobicContact CD1-CB 4.4Å; I111-A115 WeakPolarHBondContact CD1-O 3.24Å; I111-V118 HydrophobicContact CD1-CG2 3.9Å; I111-V118 HydrophobicContact CG1-CG2 4.39Å
112Q95.6Very high98Very high136 Ų13642.5 Ų42.564%0.63623%0.226SC*.Hα-helixtrans-61.8-32.8172.8-59.6173.4-1.600112.3A82 N108 A109 H110 G114A82-Q112 HydrophobicContact CB-CB 4.4Å; N108-Q112 PolarHBondContact O-N 3.44Å; A109-Q112 WeakPolarHBondContact O-CB 3.41Å; A109-Q112 PolarHBondContact O-N 2.95Å; H110-Q112 VanDerWaalsContact C-N 3.28Å; H110-Q112 PolarHBondContact O-N 3.11Å; Q112-G114 PolarHBondContact O-N 2.77Å
113G96.1Very high97.9Very high13 Ų1342.9 Ų42.913%0.13423%0.232CC..THydrogen-bonded Turntrans-74.40172.400000114.9I84 W86 G87 A109 H110 I111I84-G113 VanDerWaalsContact O-CA 3.3Å; I84-G113 WeakPolarHBondContact O-CA 3.24Å; W86-G113 WeakPolarHBondContact CB-O 3.46Å; W86-G113 PolarHBondContact N-O 3.15Å; G87-G113 PolarHBondContact N-O 3.13Å; A109-G113 PolarHBondContact O-N 2.84Å; H110-G113 CarbonylContact O-C 3.58Å; H110-G113 WeakPolarHBondContact O-CA 3.22Å; H110-G113 PolarHBondContact O-N 3.19Å; H110-G113 VanDerWaalsContact O-N 3.12Å; I111-G113 PolarHBondContact O-N 3.38Å
114G97.5Very high97.9Very high39 Ų3942.3 Ų42.340%0.40223%0.228SC..THydrogen-bonded Turntrans97.18.5176.600000115.4H110 I111 Q112H110-G114 PolarHBondContact O-N 3.02Å; I111-G114 PolarHBondContact O-N 3.2Å; Q112-G114 PolarHBondContact O-N 2.77Å
115A98.3Very high97.7Very high5 Ų543.7 Ų43.74%0.04124%0.241CC..  trans-71.1155167.900000110.9W86 V94 H110 I111W86-A115 HydrophobicContact CB-CB 4.34Å; W86-A115 HydrophobicContact CG-CB 4.41Å; V94-A115 HydrophobicContact CB-CB 4.4Å; V94-A115 HydrophobicContact CG2-CB 3.55Å; H110-A115 HydrophobicContact CB-CB 4.36Å; H110-A115 WeakPolarHBondContact O-CB 3.48Å; H110-A115 PolarHBondContact O-N 3.46Å; H110-A115 VanDerWaalsContact O-N 3.17Å; I111-A115 WeakPolarHBondContact CA-O 3.41Å; I111-A115 HydrophobicContact CD1-CB 4.4Å; I111-A115 WeakPolarHBondContact CD1-O 3.24Å
116Q97.9Very high97.7Very high107 Ų10739.7 Ų39.750%0.522%0.224SC..SBendtrans-103.4-36.9177.7-61.6-179.7-12.500111.9K92K92-Q116 WeakPolarHBondContact O-CA 3.36Å; K92-Q116 WeakPolarHBondContact O-CB 3.36Å; K92-Q116 PolarHBondContact O-N 3.29Å
117R98.5Very high97.7Very high30 Ų3035 Ų3511%0.11321%0.205CC..EExtended strand (participates in β ladder)trans-131.9149.2179.2-57.7-63.1-176.1-160.1-3.6111.3K92 Y93 V94 P141 T145 M331 E335K92-R117 PolarHBondContact O-N 2.97Å; K92-R117 VanDerWaalsContact O-N 3.09Å; Y93-R117 CarbonylContact C-O 3.56Å; Y93-R117 WeakPolarHBondContact CA-O 3.43Å; Y93-R117 HydrophobicContact CD1-CB 3.63Å; Y93-R117 HydrophobicContact CD1-CG 4.17Å; Y93-R117 HydrophobicContact CD2-CB 4.17Å; Y93-R117 HydrophobicContact CD2-CG 4.26Å; Y93-R117 HydrophobicContact CE1-CB 3.69Å; Y93-R117 HydrophobicContact CE1-CG 3.74Å; Y93-R117 HydrophobicContact CE2-CB 4.17Å; Y93-R117 HydrophobicContact CE2-CG 3.78Å; Y93-R117 HydrophobicContact CG-CB 3.91Å; Y93-R117 HydrophobicContact CG-CG 4.44Å; V94-R117 PolarHBondContact N-O 3.18Å; R117-P141 PolarHBondContact NH1-O 2.79Å; R117-P141 PolarHBondContact NH2-O 3.02Å; R117-T145 CarbonylContact C-O 3.46Å; R117-T145 VanDerWaalsContact CA-O 3.29Å; R117-T145 WeakPolarHBondContact CA-O 3.5Å; R117-M331 HydrophobicContact CB-CE 4.04Å; R117-M331 HydrophobicContact CG-CE 4.28Å; R117-E335 IonicContact CZ-OE1 2.8Å; R117-E335 IonicContact CZ-OE2 3.76Å; R117-E335 IonicContact NE-OE1 2.91Å; R117-E335 PolarHBondContact NE-OE1 2.64Å; R117-E335 IonicContact NE-OE2 2.98Å; R117-E335 IonicContact NH2-OE1 2.64Å; R117-E335 PolarHBondContact NH2-OE1 3.27Å; R117-E335 IonicContact NH2-OE2 3.29Å; R117-E335 PolarHBondContact NH2-OE2 2.72Å
118V98.9Very high97.7Very high0 Ų037.2 Ų37.20%022%0.22CC..EExtended strand (participates in β ladder)trans-129.7130.9174.8-1740000110.5V94 E96 A107 H110 I111 V120 T145 I146 V147V94-V118 CarbonylContact O-C 3.52Å; V94-V118 WeakPolarHBondContact O-CA 3.22Å; E96-V118 HydrophobicContact CB-CG1 3.99Å; A107-V118 HydrophobicContact CB-CG1 4.21Å; H110-V118 HydrophobicContact CB-CG2 3.87Å; I111-V118 HydrophobicContact CD1-CG2 3.9Å; I111-V118 HydrophobicContact CG1-CG2 4.39Å; V118-V120 HydrophobicContact CG1-CG2 4.5Å; V118-T145 PolarHBondContact N-O 2.87Å; V118-I146 HydrophobicContact CB-CB 4.49Å; V118-I146 HydrophobicContact CB-CG1 4.13Å; V118-I146 HydrophobicContact CB-CG2 4.23Å; V118-I146 HydrophobicContact CG2-CG1 4.3Å; V118-I146 WeakPolarHBondContact O-CA 3.39Å; V118-V147 PolarHBondContact O-N 3.48Å
119V98.9Very high97.7Very high0 Ų035.1 Ų35.10%021%0.208CC..EExtended strand (participates in β ladder)trans-109.4110.7169.4179.50000108.7V94 V95 E96 V147 N149 V324 L327 L328 M331V94-V119 PolarHBondContact O-N 2.95Å; V95-V119 WeakPolarHBondContact CA-O 3.28Å; E96-V119 PolarHBondContact N-O 2.76Å; V119-V147 WeakPolarHBondContact CA-O 3.49Å; V119-V147 HydrophobicContact CG2-CG2 3.99Å; V119-N149 HydrophobicContact CG1-CB 4.12Å; V119-V324 HydrophobicContact CG1-CG1 4.27Å; V119-L327 HydrophobicContact CG1-CD2 3.89Å; V119-L327 HydrophobicContact CG2-CD2 4.47Å; V119-L328 HydrophobicContact CB-CD2 4.42Å; V119-L328 HydrophobicContact CG2-CD2 3.7Å; V119-L328 HydrophobicContact CG2-CG 4.35Å; V119-M331 HydrophobicContact CG2-CE 4.31Å; V119-M331 HydrophobicContact CG2-SD 3.61Å
120V98.9Very high97.7Very high0 Ų034.5 Ų34.50%020%0.203CC..EExtended strand (participates in β ladder)trans-78122.3173.9-178.10000109.2E96 L102 A107 V118 A122 I146 V147 S148 N149E96-V120 HydrophobicContact CB-CG2 4.47Å; L102-V120 HydrophobicContact CD2-CG1 3.67Å; A107-V120 HydrophobicContact CB-CG2 4.16Å; V118-V120 HydrophobicContact CG1-CG2 4.5Å; V120-A122 PolarHBondContact O-N 2.9Å; V120-A122 VanDerWaalsContact O-N 3.1Å; V120-I146 HydrophobicContact CG2-CG2 4.26Å; V120-V147 PolarHBondContact N-O 3.37Å; V120-S148 WeakPolarHBondContact O-CA 3.31Å; V120-N149 PolarHBondContact O-N 2.98Å
121S98.6Very high97.7Very high14 Ų1434.5 Ų34.510%0.09820%0.203CC..SBendtrans-86.736.6-176.490.40000113.1E96 S97 Y320E96-S121 PolarHBondContact O-N 3.37Å; E96-S121 PolarHBondContact O-OG 2.82Å; S97-S121 WeakPolarHBondContact CA-OG 3.38Å; S97-S121 WeakPolarHBondContact CB-OG 3.35Å; S121-Y320 VanDerWaalsContact CA-OH 3.24Å; S121-Y320 WeakPolarHBondContact CA-OH 3.14Å; S121-Y320 PolarHBondContact O-OH 3.4Å; S121-Y320 VanDerWaalsContact O-OH 3.09Å
122A97.8Very high97.8Very high22 Ų2233 Ų3318%0.18220%0.195CC..SBendtrans-162.3165.8176.200000109.6L102 V120 S124 S148 A150 Y320L102-A122 HydrophobicContact CD2-CB 3.79Å; V120-A122 PolarHBondContact O-N 2.9Å; V120-A122 VanDerWaalsContact O-N 3.1Å; A122-S124 PolarHBondContact O-N 3.47Å; A122-S148 PolarHBondContact O-OG 3.24Å; A122-A150 CarbonylContact C-O 3.57Å; A122-A150 VanDerWaalsContact CA-O 3.29Å; A122-A150 WeakPolarHBondContact CA-O 3.42Å; A122-Y320 PolarHBondContact N-OH 3.13Å
123P96Very high97.9Very high56 Ų5627.3 Ų27.336%0.36417%0.173SC..  trans-56.8128.6172.3-24.835000111.6M129 A150P123-M129 HydrophobicContact CB-SD 4.16Å; P123-A150 WeakPolarHBondContact CD-O 3.44Å
124S96.9Very high98Very high6 Ų627.4 Ų27.44%0.04217%0.171CC..  trans-92.9144.6173.1-176.80000111L102 A122 D126 A127 S148L102-S124 VanDerWaalsContact O-CB 3.26Å; L102-S124 WeakPolarHBondContact O-CB 3.16Å; L102-S124 PolarHBondContact O-OG 3.05Å; A122-S124 PolarHBondContact O-N 3.47Å; S124-D126 VanDerWaalsContact C-N 3.29Å; S124-D126 PolarHBondContact OG-N 3.13Å; S124-D126 PolarHBondContact OG-OD1 2.85Å; S124-D126 VanDerWaalsContact OG-OD1 3.14Å; S124-A127 WeakPolarHBondContact OG-CB 3.18Å; S124-A127 PolarHBondContact OG-N 2.89Å; S124-S148 PolarHBondContact N-OG 3.09Å
125P95.6Very high98.1Very high92 Ų9225.9 Ų25.960%0.59715%0.153SC*.SBendtrans-64.8-33.1171.126.1-33.8000112.7
126D96.9Very high98.1Very high80 Ų8027.4 Ų27.443%0.42816%0.16SC..SBendtrans-135.3-20.4-166.355.5-0.2000114.8S103 L104 S124S103-D126 WeakPolarHBondContact CA-OD1 3.39Å; L104-D126 HydrophobicContact CD1-CB 4.22Å; L104-D126 HydrophobicContact CG-CB 4.4Å; L104-D126 PolarHBondContact N-OD1 2.82Å; L104-D126 PolarHBondContact N-OD2 3.24Å; S124-D126 VanDerWaalsContact C-N 3.29Å; S124-D126 PolarHBondContact OG-N 3.13Å; S124-D126 PolarHBondContact OG-OD1 2.85Å; S124-D126 VanDerWaalsContact OG-OD1 3.14Å
127A97.8Very high98.1Very high7 Ų727.7 Ų27.76%0.05817%0.165CC..SBendtrans-75.1142.7175.900000111.9L104 S124 M129 I146L104-A127 HydrophobicContact CD2-CB 3.6Å; L104-A127 HydrophobicContact CG-CB 4.03Å; S124-A127 WeakPolarHBondContact OG-CB 3.18Å; S124-A127 PolarHBondContact OG-N 2.89Å; A127-M129 PolarHBondContact O-N 2.82Å; A127-I146 HydrophobicContact CB-CG2 4.38Å
128P98Very high98.1Very high47 Ų4731.1 Ų31.131%0.30518%0.18SC..PPolyproline II helixtrans-59.5134174.721.2-29.1000110.8F130 M144 V147 S148P128-F130 HydrophobicContact CB-CE2 4Å; P128-F130 HydrophobicContact CB-CZ 4.32Å; P128-F130 HydrophobicContact CG-CE2 4.39Å; P128-M144 HydrophobicContact CB-SD 4.27Å; P128-M144 HydrophobicContact CG-CG 4.17Å; P128-M144 HydrophobicContact CG-SD 4.01Å; P128-V147 HydrophobicContact CG-CG1 4.36Å; P128-S148 PolarHBondContact O-N 2.84Å
129M98.4Very high98Very high18 Ų1831.7 Ų31.79%0.08918%0.182CC..BIsolated β-bridgetrans-101.8137.7-177-76.1-169.6-6500111.4P123 A127 N135 S148 A150 A216 K219 V220P123-M129 HydrophobicContact CB-SD 4.16Å; A127-M129 PolarHBondContact O-N 2.82Å; M129-N135 PolarHBondContact O-ND2 3Å; M129-S148 CarbonylContact C-O 3.56Å; M129-S148 VanDerWaalsContact CA-O 3.3Å; M129-S148 WeakPolarHBondContact CA-O 3.46Å; M129-A150 HydrophobicContact CB-CB 4.44Å; M129-A150 HydrophobicContact SD-CB 4.03Å; M129-A216 HydrophobicContact CE-CB 3.88Å; M129-K219 HydrophobicContact CE-CB 4.16Å; M129-K219 HydrophobicContact CE-CD 3.28Å; M129-K219 HydrophobicContact CE-CG 4.32Å; M129-V220 HydrophobicContact CB-CG1 4.31Å
130F98.8Very high98Very high4 Ų434.5 Ų34.52%0.01820%0.198CC..  trans-125142.1177.4-64.6-77.2000111.2P128 N135 K138 Y139 M144 V147 S148 N149 L327P128-F130 HydrophobicContact CB-CE2 4Å; P128-F130 HydrophobicContact CB-CZ 4.32Å; P128-F130 HydrophobicContact CG-CE2 4.39Å; F130-N135 WeakPolarHBondContact CA-OD1 3.29Å; F130-N135 WeakPolarHBondContact CD1-O 3.49Å; F130-K138 HydrophobicContact CE1-CB 4.13Å; F130-Y139 HydrophobicContact CE2-CD2 4.11Å; F130-Y139 HydrophobicContact CZ-CD2 4.24Å; F130-M144 HydrophobicContact CE2-SD 3.88Å; F130-M144 HydrophobicContact CZ-CE 4.33Å; F130-M144 HydrophobicContact CZ-SD 3.5Å; F130-M144 VanDerWaalsContact CZ-SD 3.5Å; F130-V147 HydrophobicContact CD2-CB 3.9Å; F130-V147 HydrophobicContact CD2-CG1 4.07Å; F130-V147 HydrophobicContact CD2-CG2 4.48Å; F130-V147 HydrophobicContact CE2-CB 4Å; F130-V147 HydrophobicContact CE2-CG1 3.69Å; F130-S148 PolarHBondContact N-O 3.18Å; F130-N149 CarbonylContact O-C 3.56Å; F130-L327 HydrophobicContact CB-CD1 4.02Å; F130-L327 HydrophobicContact CB-CD2 4.35Å
131V98.9Very high97.9Very high0 Ų036 Ų360%021%0.207CC..  trans-128.1120.5169174.50000106.6V134 N135 A150 T154 A158 P159 V220V131-V134 HydrophobicContact CB-CB 4.14Å; V131-V134 HydrophobicContact CB-CG2 4.22Å; V131-V134 HydrophobicContact CG1-CB 4.18Å; V131-V134 HydrophobicContact CG1-CG2 3.71Å; V131-V134 WeakPolarHBondContact O-CB 3.33Å; V131-V134 PolarHBondContact O-N 3.31Å; V131-V134 VanDerWaalsContact O-N 3.15Å; V131-N135 PolarHBondContact N-OD1 3.1Å; V131-N135 PolarHBondContact O-N 3.29Å; V131-N135 PolarHBondContact O-OD1 3.48Å; V131-A150 HydrophobicContact CG2-CB 4.07Å; V131-T154 HydrophobicContact CG2-CG2 4.12Å; V131-A158 HydrophobicContact CG1-CB 4.28Å; V131-A158 HydrophobicContact CG2-CB 4.5Å; V131-P159 HydrophobicContact CG1-CG 4.33Å; V131-V220 HydrophobicContact CG2-CG1 4.22Å; V131-V220 HydrophobicContact CG2-CG2 4.42Å
132M98.8Very high97.8Very high16 Ų1640.4 Ų40.48%0.07924%0.238CC..THydrogen-bonded Turntrans-61.2140.2178-57.6-55.7-60.500110.8V134 E136 V273 D326 L327 Y330M132-V134 VanDerWaalsContact C-N 3.3Å; M132-E136 HydrophobicContact CE-CB 3.99Å; M132-E136 HydrophobicContact CE-CG 3.89Å; M132-E136 HydrophobicContact SD-CB 3.86Å; M132-E136 HydrophobicContact SD-CG 4.38Å; M132-V273 WeakPolarHBondContact O-CG1 3.44Å; M132-D326 HydrophobicContact CE-CB 4.43Å; M132-D326 HydrophobicContact CG-CB 4.07Å; M132-L327 HydrophobicContact SD-CB 3.94Å; M132-L327 HydrophobicContact SD-CD1 3.9Å; M132-Y330 HydrophobicContact CE-CD2 4.21Å; M132-Y330 HydrophobicContact CE-CG 4.03Å
133G98.1Very high97.7Very high17 Ų1743 Ų4318%0.17526%0.255CS..THydrogen-bonded Turntrans78.66-172.100000114.4E136G133-E136 WeakPolarHBondContact CA-OE1 3.35Å; G133-E136 PolarHBondContact N-OE1 3.04Å; G133-E136 PolarHBondContact N-OE2 3.11Å
134V98.8Very high97.8Very high16 Ų1642.3 Ų42.310%0.09725%0.247CC..THydrogen-bonded Turntrans-130.9-56-173.5-177.40000112.3V131 M132 E136 A158 P159 K162 V220 I221V131-V134 HydrophobicContact CB-CB 4.14Å; V131-V134 HydrophobicContact CB-CG2 4.22Å; V131-V134 HydrophobicContact CG1-CB 4.18Å; V131-V134 HydrophobicContact CG1-CG2 3.71Å; V131-V134 WeakPolarHBondContact O-CB 3.33Å; V131-V134 PolarHBondContact O-N 3.31Å; V131-V134 VanDerWaalsContact O-N 3.15Å; M132-V134 VanDerWaalsContact C-N 3.3Å; V134-E136 PolarHBondContact N-OE2 2.76Å; V134-A158 HydrophobicContact CG1-CB 4.46Å; V134-A158 HydrophobicContact CG2-CB 4.18Å; V134-P159 HydrophobicContact CG2-CB 4.4Å; V134-P159 HydrophobicContact CG2-CG 3.97Å; V134-K162 HydrophobicContact CG1-CD 4.27Å; V134-V220 HydrophobicContact CG1-CB 4.41Å; V134-V220 HydrophobicContact CG1-CG2 4.32Å; V134-I221 HydrophobicContact CG1-CD1 3.9Å; V134-I221 HydrophobicContact CG1-CG1 3.52Å
135N98.7Very high97.9Very high6 Ų644.9 Ų44.93%0.03226%0.263CS..THydrogen-bonded Turntrans-146.514.1-172.679.7-48.8000115M129 F130 V131 D137 K138 V220M129-N135 PolarHBondContact O-ND2 3Å; F130-N135 WeakPolarHBondContact CA-OD1 3.29Å; F130-N135 WeakPolarHBondContact CD1-O 3.49Å; V131-N135 PolarHBondContact N-OD1 3.1Å; V131-N135 PolarHBondContact O-N 3.29Å; V131-N135 PolarHBondContact O-OD1 3.48Å; N135-D137 VanDerWaalsContact CA-OD1 3.32Å; N135-D137 WeakPolarHBondContact CA-OD1 3.42Å; N135-D137 PolarHBondContact O-N 2.79Å; N135-K138 HydrophobicContact CB-CD 4.18Å; N135-K138 WeakPolarHBondContact O-CB 3.45Å; N135-K138 PolarHBondContact O-N 3.1Å; N135-V220 HydrophobicContact CB-CB 4.39Å; N135-V220 WeakPolarHBondContact CB-O 3.48Å
136E98.4Very high98Very high38 Ų3840.8 Ų40.818%0.17824%0.236CC..G310 helixtrans-58.6-26.6177.265.7-89.1-145.300112.7M132 G133 V134 K138 Y139 Y330M132-E136 HydrophobicContact CE-CB 3.99Å; M132-E136 HydrophobicContact CE-CG 3.89Å; M132-E136 HydrophobicContact SD-CB 3.86Å; M132-E136 HydrophobicContact SD-CG 4.38Å; G133-E136 WeakPolarHBondContact CA-OE1 3.35Å; G133-E136 PolarHBondContact N-OE1 3.04Å; G133-E136 PolarHBondContact N-OE2 3.11Å; V134-E136 PolarHBondContact N-OE2 2.76Å; E136-K138 PolarHBondContact O-N 2.96Å; E136-K138 VanDerWaalsContact O-N 3.14Å; E136-Y139 VanDerWaalsContact O-CB 3.31Å; E136-Y139 WeakPolarHBondContact O-CB 3.25Å; E136-Y139 PolarHBondContact O-N 3.41Å; E136-Y330 HydrophobicContact CB-CD1 4.08Å; E136-Y330 HydrophobicContact CB-CE1 3.94Å; E136-Y330 HydrophobicContact CB-CE2 4.35Å; E136-Y330 HydrophobicContact CB-CG 4.36Å; E136-Y330 HydrophobicContact CG-CD2 4.12Å; E136-Y330 HydrophobicContact CG-CE1 4.31Å; E136-Y330 HydrophobicContact CG-CE2 3.83Å; E136-Y330 HydrophobicContact CG-CG 4.46Å; E136-Y330 WeakPolarHBondContact O-CE1 3.39Å; E136-Y330 VanDerWaalsContact O-CZ 3.25Å; E136-Y330 PolarHBondContact O-OH 3.33Å
137D97.9Very high98.1Very high113 Ų11337 Ų3760%0.60422%0.216SC*.G310 helixtrans-59-21.6173.667.5-44.5000113.5N135 Y139 Y330N135-D137 VanDerWaalsContact CA-OD1 3.32Å; N135-D137 WeakPolarHBondContact CA-OD1 3.42Å; N135-D137 PolarHBondContact O-N 2.79Å; D137-Y139 VanDerWaalsContact C-N 3.33Å; D137-Y330 VanDerWaalsContact CA-OH 3.29Å; D137-Y330 WeakPolarHBondContact CA-OH 3.45Å
138K98.3Very high98.2Very high101 Ų10136.7 Ų36.744%0.43921%0.213SC..G310 helixtrans-85-1.8177.2-55.6-178.6-174.2169.10114F130 N135 E136 D140F130-K138 HydrophobicContact CE1-CB 4.13Å; N135-K138 HydrophobicContact CB-CD 4.18Å; N135-K138 WeakPolarHBondContact O-CB 3.45Å; N135-K138 PolarHBondContact O-N 3.1Å; E136-K138 PolarHBondContact O-N 2.96Å; E136-K138 VanDerWaalsContact O-N 3.14Å; K138-D140 PolarHBondContact O-N 2.72Å
139Y98.5Very high98.2Very high12 Ų1234.4 Ų34.45%0.04720%0.198CC..  trans-67.7127.8175.2174.4-111.5000110.5F130 E136 D137 P141 M144 V147 Y330 M331 K334F130-Y139 HydrophobicContact CE2-CD2 4.11Å; F130-Y139 HydrophobicContact CZ-CD2 4.24Å; E136-Y139 VanDerWaalsContact O-CB 3.31Å; E136-Y139 WeakPolarHBondContact O-CB 3.25Å; E136-Y139 PolarHBondContact O-N 3.41Å; D137-Y139 VanDerWaalsContact C-N 3.33Å; Y139-P141 HydrophobicContact CE1-CB 3.9Å; Y139-P141 HydrophobicContact CE1-CG 4.4Å; Y139-M144 HydrophobicContact CD2-CB 4.04Å; Y139-M144 HydrophobicContact CD2-SD 4.07Å; Y139-M144 HydrophobicContact CE2-CB 3.7Å; Y139-M144 WeakPolarHBondContact CE2-O 3.45Å; Y139-M144 PolarHBondContact OH-O 2.75Å; Y139-V147 HydrophobicContact CD2-CG1 4.05Å; Y139-V147 HydrophobicContact CE2-CG1 3.87Å; Y139-Y330 HydrophobicContact CD1-CE1 4.37Å; Y139-M331 HydrophobicContact CD1-CB 4.39Å; Y139-M331 HydrophobicContact CD1-CG 4.04Å; Y139-M331 HydrophobicContact CD2-CG 4.27Å; Y139-M331 HydrophobicContact CE1-CB 3.79Å; Y139-M331 HydrophobicContact CE1-CG 3.74Å; Y139-M331 HydrophobicContact CE2-CE 3.8Å; Y139-M331 HydrophobicContact CE2-CG 4Å; Y139-M331 HydrophobicContact CE2-SD 4.49Å; Y139-M331 HydrophobicContact CG-CG 4.3Å; Y139-M331 WeakPolarHBondContact OH-CE 3.4Å; Y139-K334 HydrophobicContact CD1-CB 4.23Å; Y139-K334 HydrophobicContact CD1-CG 4.22Å; Y139-K334 HydrophobicContact CE1-CB 4.21Å
140D98Very high98.2Very high60 Ų6033.6 Ų33.632%0.32119%0.194SC..  trans-120.3106.2176.9171.615.4000110.2K138 S142 S143 M144K138-D140 PolarHBondContact O-N 2.72Å; D140-S142 PolarHBondContact O-N 3.49Å; D140-S142 VanDerWaalsContact OD1-CB 3.31Å; D140-S142 WeakPolarHBondContact OD1-CB 3.48Å; D140-S142 PolarHBondContact OD1-N 2.86Å; D140-S142 PolarHBondContact OD1-OG 3.2Å; D140-S142 PolarHBondContact OD2-OG 3.46Å; D140-S143 VanDerWaalsContact CG-OG 3.3Å; D140-S143 PolarHBondContact O-N 3Å; D140-S143 PolarHBondContact OD2-OG 2.98Å; D140-M144 HydrophobicContact CB-CE 4.26Å; D140-M144 HydrophobicContact CB-CG 4.49Å; D140-M144 HydrophobicContact CB-SD 4.47Å; D140-M144 WeakPolarHBondContact O-CB 3.43Å; D140-M144 WeakPolarHBondContact O-CG 3.45Å; D140-M144 PolarHBondContact O-N 3.36Å
141P97.1Very high98.2Very high31 Ų3134.2 Ų34.220%0.20120%0.199CC..THydrogen-bonded Turntrans-65.1-19-178.527.1-34.5000113.4R117 Y139 S143 K334R117-P141 PolarHBondContact NH1-O 2.79Å; R117-P141 PolarHBondContact NH2-O 3.02Å; Y139-P141 HydrophobicContact CE1-CB 3.9Å; Y139-P141 HydrophobicContact CE1-CG 4.4Å; P141-S143 VanDerWaalsContact C-N 3.34Å; P141-K334 HydrophobicContact CG-CB 4.19Å; P141-K334 WeakPolarHBondContact CG-O 3.44Å
142S96.9Very high98.2Very high106 Ų10635.4 Ų35.474%0.74121%0.207SC*.THydrogen-bonded Turntrans-73.4-27.5179.376.60000112.8D140D140-S142 PolarHBondContact O-N 3.49Å; D140-S142 VanDerWaalsContact OD1-CB 3.31Å; D140-S142 WeakPolarHBondContact OD1-CB 3.48Å; D140-S142 PolarHBondContact OD1-N 2.86Å; D140-S142 PolarHBondContact OD1-OG 3.2Å; D140-S142 PolarHBondContact OD2-OG 3.46Å
143S95.9Very high98.2Very high78 Ų7835 Ų3555%0.54521%0.205SC..THydrogen-bonded Turntrans-120.1-18.8-175.562.60000113.8D140 P141D140-S143 VanDerWaalsContact CG-OG 3.3Å; D140-S143 PolarHBondContact O-N 3Å; D140-S143 PolarHBondContact OD2-OG 2.98Å; P141-S143 VanDerWaalsContact C-N 3.34Å
144M97.9Very high98.2Very high40 Ų4034.1 Ų34.120%0.19720%0.197CC..  trans-110.788.6-173.3-55-177.5-174.200111.8P128 F130 Y139 D140 V147P128-M144 HydrophobicContact CB-SD 4.27Å; P128-M144 HydrophobicContact CG-CG 4.17Å; P128-M144 HydrophobicContact CG-SD 4.01Å; F130-M144 HydrophobicContact CE2-SD 3.88Å; F130-M144 HydrophobicContact CZ-CE 4.33Å; F130-M144 HydrophobicContact CZ-SD 3.5Å; F130-M144 VanDerWaalsContact CZ-SD 3.5Å; Y139-M144 HydrophobicContact CD2-CB 4.04Å; Y139-M144 HydrophobicContact CD2-SD 4.07Å; Y139-M144 HydrophobicContact CE2-CB 3.7Å; Y139-M144 WeakPolarHBondContact CE2-O 3.45Å; Y139-M144 PolarHBondContact OH-O 2.75Å; D140-M144 HydrophobicContact CB-CE 4.26Å; D140-M144 HydrophobicContact CB-CG 4.49Å; D140-M144 HydrophobicContact CB-SD 4.47Å; D140-M144 WeakPolarHBondContact O-CB 3.43Å; D140-M144 WeakPolarHBondContact O-CG 3.45Å; D140-M144 PolarHBondContact O-N 3.36Å; M144-V147 HydrophobicContact CB-CG1 4Å
145T98.1Very high98.2Very high61 Ų6133.5 Ų33.537%0.37419%0.193SC..SBendtrans-81.9-34172.451.40000112.8R117 V118R117-T145 CarbonylContact C-O 3.46Å; R117-T145 VanDerWaalsContact CA-O 3.29Å; R117-T145 WeakPolarHBondContact CA-O 3.5Å; V118-T145 PolarHBondContact N-O 2.87Å
146I98.7Very high98.3Very high6 Ų633.2 Ų33.23%0.03119%0.191CC..EExtended strand (participates in β ladder)trans-123.7123.6-177.8-56.4170.6000107.9L104 A107 N108 V118 V120 A127L104-I146 HydrophobicContact CD2-CB 3.69Å; L104-I146 HydrophobicContact CD2-CD1 4.36Å; L104-I146 HydrophobicContact CD2-CG2 3.86Å; L104-I146 WeakPolarHBondContact O-CD1 3.09Å; A107-I146 HydrophobicContact CB-CD1 4.16Å; A107-I146 HydrophobicContact CB-CG2 3.75Å; N108-I146 HydrophobicContact CB-CD1 3.85Å; V118-I146 HydrophobicContact CB-CB 4.49Å; V118-I146 HydrophobicContact CB-CG1 4.13Å; V118-I146 HydrophobicContact CB-CG2 4.23Å; V118-I146 HydrophobicContact CG2-CG1 4.3Å; V118-I146 WeakPolarHBondContact O-CA 3.39Å; V120-I146 HydrophobicContact CG2-CG2 4.26Å; A127-I146 HydrophobicContact CB-CG2 4.38Å
147V98.8Very high98.3Very high0 Ų031.4 Ų31.40%018%0.183CC..EExtended strand (participates in β ladder)trans-130.7164.4179.9-56.20000110.5V118 V119 V120 P128 F130 Y139 M144 L327 M331V118-V147 PolarHBondContact O-N 3.48Å; V119-V147 WeakPolarHBondContact CA-O 3.49Å; V119-V147 HydrophobicContact CG2-CG2 3.99Å; V120-V147 PolarHBondContact N-O 3.37Å; P128-V147 HydrophobicContact CG-CG1 4.36Å; F130-V147 HydrophobicContact CD2-CB 3.9Å; F130-V147 HydrophobicContact CD2-CG1 4.07Å; F130-V147 HydrophobicContact CD2-CG2 4.48Å; F130-V147 HydrophobicContact CE2-CB 4Å; F130-V147 HydrophobicContact CE2-CG1 3.69Å; Y139-V147 HydrophobicContact CD2-CG1 4.05Å; Y139-V147 HydrophobicContact CE2-CG1 3.87Å; M144-V147 HydrophobicContact CB-CG1 4Å; V147-L327 HydrophobicContact CG2-CD2 4.17Å; V147-M331 HydrophobicContact CG1-CE 4.43Å; V147-M331 HydrophobicContact CG2-CE 3.82Å; V147-M331 HydrophobicContact CG2-SD 3.62Å
148S98.8Very high98.3Very high0 Ų026 Ų260%015%0.154CC..EExtended strand (participates in β ladder)trans-118.3136.6174.5162.20000110.5V120 A122 S124 P128 M129 F130 A150V120-S148 WeakPolarHBondContact O-CA 3.31Å; A122-S148 PolarHBondContact O-OG 3.24Å; S124-S148 PolarHBondContact N-OG 3.09Å; P128-S148 PolarHBondContact O-N 2.84Å; M129-S148 CarbonylContact C-O 3.56Å; M129-S148 VanDerWaalsContact CA-O 3.3Å; M129-S148 WeakPolarHBondContact CA-O 3.46Å; F130-S148 PolarHBondContact N-O 3.18Å; S148-A150 PolarHBondContact O-N 2.75Å; S148-A150 PolarHBondContact OG-N 3.11Å; S148-A150 VanDerWaalsContact OG-N 3.09Å
149N98.8Very high98.4Very high0 Ų021.2 Ų21.20%013%0.133CC..  trans-83.123172.7-166.749.3000112.3V119 V120 F130 N155 Y320 V324 L327V119-N149 HydrophobicContact CG1-CB 4.12Å; V120-N149 PolarHBondContact O-N 2.98Å; F130-N149 CarbonylContact O-C 3.56Å; N149-N155 PolarHBondContact O-ND2 3.41Å; N149-Y320 VanDerWaalsContact O-CE2 3.31Å; N149-Y320 WeakPolarHBondContact O-CE2 3.14Å; N149-Y320 PolarHBondContact O-OH 3.06Å; N149-V324 HydrophobicContact CB-CG2 4.2Å; N149-V324 WeakPolarHBondContact ND2-CG2 3.35Å; N149-V324 PolarHBondContact ND2-N 2.83Å; N149-L327 HydrophobicContact CB-CD2 3.91Å
150A98.6Very high98.4Very high0 Ų020.6 Ų20.60%013%0.131CC..  trans53-147.9-174.600000113A122 P123 M129 V131 S148 T154 Y320A122-A150 CarbonylContact C-O 3.57Å; A122-A150 VanDerWaalsContact CA-O 3.29Å; A122-A150 WeakPolarHBondContact CA-O 3.42Å; P123-A150 WeakPolarHBondContact CD-O 3.44Å; M129-A150 HydrophobicContact CB-CB 4.44Å; M129-A150 HydrophobicContact SD-CB 4.03Å; V131-A150 HydrophobicContact CG2-CB 4.07Å; S148-A150 PolarHBondContact O-N 2.75Å; S148-A150 PolarHBondContact OG-N 3.11Å; S148-A150 VanDerWaalsContact OG-N 3.09Å; A150-T154 HydrophobicContact CB-CG2 4.03Å; A150-Y320 PolarHBondContact O-OH 3.33Å
151S98.7Very high98.4Very high17 Ų1717.8 Ų17.812%0.11912%0.116CC..  trans-109.916417568.70000111.8T153 T154 N155S151-T153 VanDerWaalsContact C-N 3.33Å; S151-T153 PolarHBondContact O-N 3.4Å; S151-T154 PolarHBondContact O-N 2.97Å; S151-T154 PolarHBondContact OG-N 2.83Å; S151-T154 PolarHBondContact OG-OG1 2.88Å; S151-N155 PolarHBondContact O-N 2.96Å; S151-N155 PolarHBondContact O-ND2 3.34Å
152C98.6Very high98.5Very high26 Ų2619 Ų1918%0.17612%0.118CC..Hα-helixtrans-54-46.9169.952.30000112.2T154 N155 C156 H179 Y314 N316 Y320C152-T154 PolarHBondContact O-N 3.03Å; C152-N155 PolarHBondContact O-N 3.32Å; C152-C156 PolarHBondContact O-N 2.96Å; C152-H179 PolarHBondContact SG-NE2 3.19Å; C152-Y314 HydrophobicContact CB-CD2 4.15Å; C152-Y314 HydrophobicContact CB-CE2 3.83Å; C152-N316 HydrophobicContact CB-CB 3.92Å; C152-N316 WeakPolarHBondContact CB-O 3.34Å; C152-Y320 HydrophobicContact CB-CD2 4.11Å; C152-Y320 HydrophobicContact CB-CG 4.25Å
153T98.8Very high98.6Very high6 Ų614.2 Ų14.24%0.0378%0.084CC..Hα-helixtrans-64.2-38.3177.7-50.60000112.6S151 C156 L157 M175 T177 A213 V243 Y314S151-T153 VanDerWaalsContact C-N 3.33Å; S151-T153 PolarHBondContact O-N 3.4Å; T153-C156 PolarHBondContact O-N 2.88Å; T153-L157 WeakPolarHBondContact O-CB 3.33Å; T153-L157 PolarHBondContact O-N 2.89Å; T153-M175 HydrophobicContact CG2-CE 3.68Å; T153-M175 HydrophobicContact CG2-SD 4.04Å; T153-T177 HydrophobicContact CG2-CG2 3.89Å; T153-A213 HydrophobicContact CG2-CB 3.76Å; T153-V243 HydrophobicContact CG2-CG2 4.04Å; T153-Y314 PolarHBondContact OG1-OH 2.72Å
154T98.8Very high98.7Very high0 Ų010.5 Ų10.50%06%0.058CC..Hα-helixtrans-67.3-39.6175.4-54.30000111.3V131 A150 S151 C152 C156 L157 A158 A213 A216 V217V131-T154 HydrophobicContact CG2-CG2 4.12Å; A150-T154 HydrophobicContact CB-CG2 4.03Å; S151-T154 PolarHBondContact O-N 2.97Å; S151-T154 PolarHBondContact OG-N 2.83Å; S151-T154 PolarHBondContact OG-OG1 2.88Å; C152-T154 PolarHBondContact O-N 3.03Å; T154-C156 VanDerWaalsContact C-N 3.26Å; T154-C156 PolarHBondContact O-N 3.13Å; T154-L157 PolarHBondContact O-N 3.36Å; T154-A158 WeakPolarHBondContact O-CB 3.46Å; T154-A158 PolarHBondContact O-N 2.87Å; T154-A213 WeakPolarHBondContact OG1-CA 3.34Å; T154-A213 PolarHBondContact OG1-O 3.17Å; T154-A213 VanDerWaalsContact OG1-O 3.04Å; T154-A216 HydrophobicContact CG2-CB 4.13Å; T154-V217 HydrophobicContact CG2-CG2 4.34Å
155N98.9Very high98.8Very high2 Ų210 Ų101%0.0116%0.056CC..Hα-helixtrans-64.1-31.7174.8-84.8-93.3000112.2N149 S151 C152 P159 S292N149-N155 PolarHBondContact O-ND2 3.41Å; S151-N155 PolarHBondContact O-N 2.96Å; S151-N155 PolarHBondContact O-ND2 3.34Å; C152-N155 PolarHBondContact O-N 3.32Å; N155-P159 WeakPolarHBondContact O-CD 3.46Å; N155-P159 VanDerWaalsContact O-CG 3.23Å; N155-P159 WeakPolarHBondContact O-CG 3.34Å; N155-S292 VanDerWaalsContact O-CB 3.27Å; N155-S292 WeakPolarHBondContact O-CB 3.38Å
156C98.9Very high98.8Very high0 Ų011.8 Ų11.80%06%0.063CC..Hα-helixtrans-73.6-49.3172.6176.40000112.4C152 T153 T154 V243 S292 S293 Y314C152-C156 PolarHBondContact O-N 2.96Å; T153-C156 PolarHBondContact O-N 2.88Å; T154-C156 VanDerWaalsContact C-N 3.26Å; T154-C156 PolarHBondContact O-N 3.13Å; C156-V243 HydrophobicContact CB-CG2 4.11Å; C156-S292 WeakPolarHBondContact CA-O 3.34Å; C156-S292 VanDerWaalsContact CB-O 3.29Å; C156-S292 WeakPolarHBondContact CB-O 3.21Å; C156-S293 VanDerWaalsContact O-CB 3.23Å; C156-S293 WeakPolarHBondContact O-CB 3.3Å; C156-S293 PolarHBondContact O-OG 2.87Å; C156-Y314 HydrophobicContact CB-CD1 3.53Å; C156-Y314 HydrophobicContact CB-CD2 4.15Å; C156-Y314 HydrophobicContact CB-CE1 4.08Å; C156-Y314 HydrophobicContact CB-CG 3.56Å; C156-Y314 WeakPolarHBondContact SG-CD1 3.47Å
157L98.9Very high98.8Very high0 Ų015.2 Ų15.20%08%0.081CC..Hα-helixtrans-73.6-40.2-172.9177.762000113.3T153 T154 L160 A161 M175 A214 V217 L228 V243 L245T153-L157 WeakPolarHBondContact O-CB 3.33Å; T153-L157 PolarHBondContact O-N 2.89Å; T154-L157 PolarHBondContact O-N 3.36Å; L157-L160 PolarHBondContact O-N 3.43Å; L157-A161 VanDerWaalsContact O-CB 3.27Å; L157-A161 WeakPolarHBondContact O-CB 3.29Å; L157-A161 PolarHBondContact O-N 3.09Å; L157-M175 HydrophobicContact CD2-CB 4.17Å; L157-M175 HydrophobicContact CD2-CE 4.3Å; L157-M175 HydrophobicContact CD2-CG 4.06Å; L157-A214 HydrophobicContact CD2-CB 3.92Å; L157-V217 HydrophobicContact CB-CG2 4.24Å; L157-V217 HydrophobicContact CD2-CG2 3.59Å; L157-V217 HydrophobicContact CG-CG2 3.8Å; L157-L228 HydrophobicContact CD2-CD2 4.32Å; L157-V243 HydrophobicContact CD1-CG1 3.98Å; L157-L245 HydrophobicContact CD1-CB 4.17Å; L157-L245 HydrophobicContact CD1-CD1 3.84Å; L157-L245 HydrophobicContact CD1-CD2 3.83Å; L157-L245 HydrophobicContact CD1-CG 4.16Å
158A98.9Very high98.8Very high0 Ų016 Ų160%09%0.085CC..Hα-helixtrans-65.2-43.6-170.600000114V131 V134 T154 L160 A161 K162 V217 V220 I221V131-A158 HydrophobicContact CG1-CB 4.28Å; V131-A158 HydrophobicContact CG2-CB 4.5Å; V134-A158 HydrophobicContact CG1-CB 4.46Å; V134-A158 HydrophobicContact CG2-CB 4.18Å; T154-A158 WeakPolarHBondContact O-CB 3.46Å; T154-A158 PolarHBondContact O-N 2.87Å; A158-L160 PolarHBondContact O-N 3.21Å; A158-A161 PolarHBondContact O-N 2.98Å; A158-K162 WeakPolarHBondContact O-CB 3.46Å; A158-K162 PolarHBondContact O-N 3.49Å; A158-V217 HydrophobicContact CB-CG1 4.36Å; A158-V217 HydrophobicContact CB-CG2 4.28Å; A158-V220 HydrophobicContact CB-CG2 3.97Å; A158-I221 HydrophobicContact CB-CD1 4.43Å; A158-I221 WeakPolarHBondContact O-CD1 3.43Å
159P98.9Very high98.8Very high0 Ų016.7 Ų16.70%09%0.092CC..Hα-helixtrans-60.1-45.3175-24.635.3000112.4V131 V134 N155 K162 V163 M270 V273 L274V131-P159 HydrophobicContact CG1-CG 4.33Å; V134-P159 HydrophobicContact CG2-CB 4.4Å; V134-P159 HydrophobicContact CG2-CG 3.97Å; N155-P159 WeakPolarHBondContact O-CD 3.46Å; N155-P159 VanDerWaalsContact O-CG 3.23Å; N155-P159 WeakPolarHBondContact O-CG 3.34Å; P159-K162 PolarHBondContact O-N 2.9Å; P159-V163 WeakPolarHBondContact O-CG2 3.21Å; P159-V163 PolarHBondContact O-N 3.02Å; P159-V163 VanDerWaalsContact O-N 3.12Å; P159-M270 HydrophobicContact CB-SD 3.98Å; P159-V273 HydrophobicContact CB-CG1 4.23Å; P159-V273 HydrophobicContact CG-CG1 3.81Å; P159-L274 HydrophobicContact CB-CB 4.47Å
160L98.9Very high98.8Very high0 Ų016.7 Ų16.70%09%0.092CC..Hα-helixtrans-62.3-49.9176.6178.763.1000111L157 A158 K162 V163 I164 V262 F295 L310L157-L160 PolarHBondContact O-N 3.43Å; A158-L160 PolarHBondContact O-N 3.21Å; L160-K162 VanDerWaalsContact C-N 3.27Å; L160-K162 PolarHBondContact O-N 3.2Å; L160-V163 PolarHBondContact O-N 3.3Å; L160-I164 HydrophobicContact CD1-CD1 4.49Å; L160-I164 HydrophobicContact CD1-CG1 4.14Å; L160-I164 HydrophobicContact CG-CG1 4.43Å; L160-I164 VanDerWaalsContact O-CG1 3.31Å; L160-I164 WeakPolarHBondContact O-CG1 3.44Å; L160-I164 PolarHBondContact O-N 3.01Å; L160-V262 HydrophobicContact CD1-CG1 4.47Å; L160-V262 HydrophobicContact CD1-CG2 3.97Å; L160-F295 HydrophobicContact CD1-CD2 3.92Å; L160-F295 HydrophobicContact CD1-CE2 4.49Å; L160-F295 HydrophobicContact CD2-CD2 4.47Å; L160-L310 HydrophobicContact CD2-CB 4.15Å
161A98.9Very high98.8Very high0 Ų020.3 Ų20.30%011%0.108CC..Hα-helixtrans-59.6-38.4179.200000112L157 A158 I164 H165 I170 V217 L224 L228L157-A161 VanDerWaalsContact O-CB 3.27Å; L157-A161 WeakPolarHBondContact O-CB 3.29Å; L157-A161 PolarHBondContact O-N 3.09Å; A158-A161 PolarHBondContact O-N 2.98Å; A161-I164 PolarHBondContact O-N 2.65Å; A161-H165 WeakPolarHBondContact O-CB 3.24Å; A161-H165 PolarHBondContact O-N 3.12Å; A161-I170 HydrophobicContact CB-CD1 4.28Å; A161-V217 HydrophobicContact CB-CG1 4.16Å; A161-L224 HydrophobicContact CB-CD1 4.04Å; A161-L228 HydrophobicContact CB-CD2 4.45Å
162K98.8Very high98.8Very high57 Ų5724.4 Ų24.425%0.24813%0.126CC..Hα-helixtrans-59.5-51.5174.2175.2166.417350.70111.4V134 A158 P159 L160 I164 H165 D166 I221 M270V134-K162 HydrophobicContact CG1-CD 4.27Å; A158-K162 WeakPolarHBondContact O-CB 3.46Å; A158-K162 PolarHBondContact O-N 3.49Å; P159-K162 PolarHBondContact O-N 2.9Å; L160-K162 VanDerWaalsContact C-N 3.27Å; L160-K162 PolarHBondContact O-N 3.2Å; K162-I164 VanDerWaalsContact C-N 3.34Å; K162-I164 PolarHBondContact O-N 3.39Å; K162-H165 PolarHBondContact O-N 3.02Å; K162-D166 WeakPolarHBondContact CG-OD2 3.28Å; K162-D166 IonicContact NZ-OD1 3.6Å; K162-D166 IonicContact NZ-OD2 3.77Å; K162-D166 PolarHBondContact NZ-OD2 3.37Å; K162-D166 WeakPolarHBondContact O-CB 3.48Å; K162-D166 PolarHBondContact O-N 3.31Å; K162-I221 HydrophobicContact CB-CD1 3.75Å; K162-M270 HydrophobicContact CB-CE 4.01Å; K162-M270 HydrophobicContact CD-CE 3.64Å; K162-M270 HydrophobicContact CG-CE 3.79Å
163V98.8Very high98.8Very high5 Ų523.6 Ų23.63%0.0312%0.121CC..Hα-helixtrans-59.6-46.2179.9175.50000111.4P159 L160 N167 A261 V262 A265 M270 L274P159-V163 WeakPolarHBondContact O-CG2 3.21Å; P159-V163 PolarHBondContact O-N 3.02Å; P159-V163 VanDerWaalsContact O-N 3.12Å; L160-V163 PolarHBondContact O-N 3.3Å; V163-N167 PolarHBondContact O-N 2.91Å; V163-N167 PolarHBondContact O-ND2 3.29Å; V163-A261 HydrophobicContact CG1-CB 4.31Å; V163-V262 HydrophobicContact CG1-CG2 4.16Å; V163-A265 HydrophobicContact CB-CB 4.39Å; V163-A265 HydrophobicContact CG1-CB 4.04Å; V163-A265 HydrophobicContact CG2-CB 3.38Å; V163-M270 HydrophobicContact CG2-CE 3.74Å; V163-M270 HydrophobicContact CG2-SD 3.53Å; V163-M270 VanDerWaalsContact CG2-SD 3.53Å; V163-L274 HydrophobicContact CG2-CD2 3.85Å
164I98.9Very high98.8Very high0 Ų028.7 Ų28.70%015%0.147CC..Hα-helixtrans-65.5-43.1-179.8-60.2-59.1000110.9L160 A161 K162 F168 G169 I170 L249 I258 V262 L310L160-I164 HydrophobicContact CD1-CD1 4.49Å; L160-I164 HydrophobicContact CD1-CG1 4.14Å; L160-I164 HydrophobicContact CG-CG1 4.43Å; L160-I164 VanDerWaalsContact O-CG1 3.31Å; L160-I164 WeakPolarHBondContact O-CG1 3.44Å; L160-I164 PolarHBondContact O-N 3.01Å; A161-I164 PolarHBondContact O-N 2.65Å; K162-I164 VanDerWaalsContact C-N 3.34Å; K162-I164 PolarHBondContact O-N 3.39Å; I164-F168 HydrophobicContact CD1-CD2 4.42Å; I164-F168 HydrophobicContact CD1-CE2 4.46Å; I164-F168 HydrophobicContact CG2-CD2 4.41Å; I164-F168 WeakPolarHBondContact O-CB 3.47Å; I164-F168 PolarHBondContact O-N 3.01Å; I164-G169 PolarHBondContact O-N 3.03Å; I164-I170 HydrophobicContact CB-CD1 4.2Å; I164-I170 HydrophobicContact CB-CG1 4.47Å; I164-I170 HydrophobicContact CG2-CD1 4.05Å; I164-I170 HydrophobicContact CG2-CG1 3.87Å; I164-L249 HydrophobicContact CG2-CD2 3.5Å; I164-I258 HydrophobicContact CD1-CG2 3.68Å; I164-V262 HydrophobicContact CD1-CG2 4.06Å; I164-L310 HydrophobicContact CD1-CD1 3.6Å; I164-L310 HydrophobicContact CG1-CD1 3.59Å; I164-L310 HydrophobicContact CG2-CD1 4.5Å
165H98.8Very high98.8Very high31 Ų3128.9 Ų28.914%0.14415%0.148CC..Hα-helixtrans-64.9-47.8179.3-170.362.3000112.4A161 K162 N167 G169 I170 L224A161-H165 WeakPolarHBondContact O-CB 3.24Å; A161-H165 PolarHBondContact O-N 3.12Å; K162-H165 PolarHBondContact O-N 3.02Å; H165-N167 PolarHBondContact O-N 3.4Å; H165-G169 VanDerWaalsContact O-CA 3.29Å; H165-G169 WeakPolarHBondContact O-CA 3.29Å; H165-G169 PolarHBondContact O-N 3.42Å; H165-I170 HydrophobicContact CB-CD1 4.1Å; H165-I170 HydrophobicContact CB-CG1 4.16Å; H165-I170 PolarHBondContact ND1-N 3.45Å; H165-L224 HydrophobicContact CB-CD1 4.28Å; H165-L224 HydrophobicContact CB-CD2 4.21Å; H165-L224 VanDerWaalsContact ND1-CD2 3.35Å; H165-L224 WeakPolarHBondContact ND1-CD2 3.32Å
166D98.6Very high98.8Very high97 Ų9730.5 Ų30.552%0.51916%0.158SC..Hα-helixtrans-62.6-31.5-177.7-68-8.3000112K162K162-D166 WeakPolarHBondContact CG-OD2 3.28Å; K162-D166 IonicContact NZ-OD1 3.6Å; K162-D166 IonicContact NZ-OD2 3.77Å; K162-D166 PolarHBondContact NZ-OD2 3.37Å; K162-D166 WeakPolarHBondContact O-CB 3.48Å; K162-D166 PolarHBondContact O-N 3.31Å
167N98.8Very high98.8Very high79 Ų7930.6 Ų30.642%0.42216%0.159SC..Hα-helixtrans-95-35.9-176.6-73.5-89.3000114.1V163 H165 A261V163-N167 PolarHBondContact O-N 2.91Å; V163-N167 PolarHBondContact O-ND2 3.29Å; H165-N167 PolarHBondContact O-N 3.4Å; N167-A261 HydrophobicContact CB-CB 4.43Å
168F98.8Very high98.8Very high17 Ų1733.3 Ų33.38%0.07518%0.175CC..Hα-helixtrans-129-10.8-167.8-48.6-65000113.8I164 L249 S250 K251 A253 E257 I258 A261I164-F168 HydrophobicContact CD1-CD2 4.42Å; I164-F168 HydrophobicContact CD1-CE2 4.46Å; I164-F168 HydrophobicContact CG2-CD2 4.41Å; I164-F168 WeakPolarHBondContact O-CB 3.47Å; I164-F168 PolarHBondContact O-N 3.01Å; F168-L249 HydrophobicContact CB-CB 4.37Å; F168-L249 HydrophobicContact CB-CD1 4.14Å; F168-L249 HydrophobicContact CB-CD2 4.29Å; F168-L249 HydrophobicContact CG-CD1 4.49Å; F168-S250 PolarHBondContact O-N 3.46Å; F168-K251 WeakPolarHBondContact O-CB 3.47Å; F168-K251 PolarHBondContact O-N 3.34Å; F168-A253 HydrophobicContact CD1-CB 3.5Å; F168-A253 VanDerWaalsContact CD1-CB 3.5Å; F168-A253 HydrophobicContact CE1-CB 3.55Å; F168-A253 HydrophobicContact CG-CB 4.09Å; F168-A253 HydrophobicContact CZ-CB 4.18Å; F168-E257 HydrophobicContact CE1-CB 4.45Å; F168-E257 HydrophobicContact CZ-CB 4.4Å; F168-I258 HydrophobicContact CD2-CG1 4.39Å; F168-I258 HydrophobicContact CE2-CB 4.45Å; F168-I258 HydrophobicContact CE2-CG1 3.97Å; F168-I258 HydrophobicContact CZ-CG1 4.29Å; F168-A261 HydrophobicContact CE2-CB 3.84Å; F168-A261 HydrophobicContact CZ-CB 3.86Å
169G98.8Very high98.8Very high14 Ų1433.5 Ų33.514%0.14418%0.176CC..  trans69.8146.6-168.900000111.9I164 H165 L249 S250I164-G169 PolarHBondContact O-N 3.03Å; H165-G169 VanDerWaalsContact O-CA 3.29Å; H165-G169 WeakPolarHBondContact O-CA 3.29Å; H165-G169 PolarHBondContact O-N 3.42Å; G169-L249 WeakPolarHBondContact O-CA 3.38Å; G169-S250 PolarHBondContact O-N 2.52Å
170I98.8Very high98.8Very high0 Ų033.5 Ų33.50%018%0.176CC..EExtended strand (participates in β ladder)trans-120.1120.3170.3-63.5174000105.3A161 I164 H165 A173 L224 K227 C247A161-I170 HydrophobicContact CB-CD1 4.28Å; I164-I170 HydrophobicContact CB-CD1 4.2Å; I164-I170 HydrophobicContact CB-CG1 4.47Å; I164-I170 HydrophobicContact CG2-CD1 4.05Å; I164-I170 HydrophobicContact CG2-CG1 3.87Å; H165-I170 HydrophobicContact CB-CD1 4.1Å; H165-I170 HydrophobicContact CB-CG1 4.16Å; H165-I170 PolarHBondContact ND1-N 3.45Å; I170-A173 HydrophobicContact CG2-CB 4.16Å; I170-L224 HydrophobicContact CB-CD2 3.87Å; I170-L224 HydrophobicContact CD1-CD1 4.4Å; I170-L224 HydrophobicContact CD1-CD2 4.35Å; I170-L224 HydrophobicContact CG2-CD2 4.36Å; I170-K227 WeakPolarHBondContact O-CD 3.45Å; I170-C247 HydrophobicContact CG2-CB 4.37Å
171E98.6Very high98.7Very high75 Ų7537.3 Ų37.335%0.3519%0.191SC..EExtended strand (participates in β ladder)trans-81.6-49.9174.4-66.7-163.8-146.100110.6K227 R248 S250E171-K227 WeakPolarHBondContact O-CD 3.33Å; E171-K227 WeakPolarHBondContact O-CG 3.47Å; E171-R248 PolarHBondContact N-O 3.27Å; E171-R248 IonicContact OE1-NH1 3.81Å; E171-R248 PolarHBondContact OE1-NH1 3.34Å; E171-R248 IonicContact OE2-CZ 2.76Å; E171-R248 IonicContact OE2-NH1 2.84Å; E171-R248 PolarHBondContact OE2-NH1 2.89Å; E171-R248 IonicContact OE2-NH2 2.72Å; E171-R248 PolarHBondContact OE2-NH2 3.06Å; E171-S250 WeakPolarHBondContact CG-OG 3.29Å; E171-S250 WeakPolarHBondContact OE1-CA 3.49Å
172E98.6Very high98.7Very high104 Ų10439.5 Ų39.549%0.48620%0.204SC..EExtended strand (participates in β ladder)trans-156.6150.1178.863.6-161.5143.400109.7K227 C247 R248E172-K227 CarbonylContact C-O 3.56Å; E172-K227 WeakPolarHBondContact CA-O 3.34Å; E172-C247 WeakPolarHBondContact O-CA 3.34Å; E172-R248 HydrophobicContact CG-CB 4.13Å; E172-R248 PolarHBondContact O-N 2.96Å; E172-R248 IonicContact OE1-CZ 3.3Å; E172-R248 VanDerWaalsContact OE1-CZ 3.29Å; E172-R248 IonicContact OE1-NE 2.89Å; E172-R248 PolarHBondContact OE1-NE 2.68Å; E172-R248 IonicContact OE1-NH2 3.27Å; E172-R248 PolarHBondContact OE1-NH2 2.93Å
173A98.6Very high98.6Very high8 Ų841.2 Ų41.27%0.06623%0.229CC..EExtended strand (participates in β ladder)trans-149.9148.4175.400000113.2I170 K227 L228 T229 L245 T246 C247I170-A173 HydrophobicContact CG2-CB 4.16Å; A173-K227 PolarHBondContact N-O 2.93Å; A173-L228 HydrophobicContact CB-CD2 4.09Å; A173-L228 HydrophobicContact CB-CG 3.96Å; A173-T229 PolarHBondContact O-N 2.79Å; A173-L245 HydrophobicContact CB-CD1 3.59Å; A173-T246 CarbonylContact C-O 3.55Å; A173-T246 VanDerWaalsContact CA-O 3.24Å; A173-T246 WeakPolarHBondContact CA-O 3.45Å; A173-T246 WeakPolarHBondContact CB-O 3.26Å; A173-C247 HydrophobicContact CB-CB 3.52Å
174L98.8Very high98.3Very high114 Ų11444.5 Ų44.560%0.59725%0.249SC*.EExtended strand (participates in β ladder)trans-115.4134.2168.8-72.9172.9000109.5T229 T246L174-T229 WeakPolarHBondContact CA-O 3.12Å; L174-T229 HydrophobicContact CD2-CG2 3.56Å; L174-T246 PolarHBondContact N-O 2.94Å; L174-T246 PolarHBondContact O-N 2.87Å
175M98.7Very high98.3Very high3 Ų345.1 Ų45.12%0.01525%0.252CS..EExtended strand (participates in β ladder)trans-111.7135.8176.4-179.4-91.1-61.700111.1T153 L157 T177 T211 A213 A214 T229 G230 M231 V243 D244 L245T153-M175 HydrophobicContact CG2-CE 3.68Å; T153-M175 HydrophobicContact CG2-SD 4.04Å; L157-M175 HydrophobicContact CD2-CB 4.17Å; L157-M175 HydrophobicContact CD2-CE 4.3Å; L157-M175 HydrophobicContact CD2-CG 4.06Å; M175-T177 HydrophobicContact SD-CG2 4.1Å; M175-T177 PolarHBondContact SD-N 3.03Å; M175-T211 HydrophobicContact CE-CG2 4.17Å; M175-A213 HydrophobicContact CE-CB 4.25Å; M175-A214 HydrophobicContact CB-CB 4.07Å; M175-A214 HydrophobicContact CE-CB 3.61Å; M175-T229 PolarHBondContact N-O 2.8Å; M175-G230 CarbonylContact O-C 3.56Å; M175-G230 WeakPolarHBondContact O-CA 3.4Å; M175-M231 PolarHBondContact O-N 2.96Å; M175-V243 HydrophobicContact CG-CG1 3.82Å; M175-D244 CarbonylContact C-O 3.59Å; M175-D244 VanDerWaalsContact CA-O 3.3Å; M175-D244 WeakPolarHBondContact CA-O 3.34Å; M175-L245 HydrophobicContact CB-CD1 4.46Å
176T98.9Very high98.2Very high37 Ų3747.1 Ų47.123%0.22726%0.26CS..EExtended strand (participates in β ladder)trans-115.1132159.8-720000107.8V178 M231 F233 D244T176-V178 HydrophobicContact CG2-CG2 4.44Å; T176-M231 WeakPolarHBondContact CA-O 3.41Å; T176-M231 HydrophobicContact CG2-SD 3.84Å; T176-F233 HydrophobicContact CG2-CD2 3.64Å; T176-F233 HydrophobicContact CG2-CE2 3.95Å; T176-D244 PolarHBondContact N-O 2.93Å; T176-D244 PolarHBondContact O-N 3.13Å
177T98.9Very high98.2Very high1 Ų147.9 Ų47.91%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-105.9124.2164.4179.70000110.1T153 M175 H179 M231 A232 F233 V242 Y314T153-T177 HydrophobicContact CG2-CG2 3.89Å; M175-T177 HydrophobicContact SD-CG2 4.1Å; M175-T177 PolarHBondContact SD-N 3.03Å; T177-H179 HydrophobicContact CG2-CB 4.37Å; T177-M231 PolarHBondContact N-O 3.39Å; T177-A232 HydrophobicContact CG2-CB 3.47Å; T177-A232 VanDerWaalsContact CG2-CB 3.47Å; T177-A232 CarbonylContact O-C 3.58Å; T177-A232 VanDerWaalsContact O-CA 3.26Å; T177-A232 WeakPolarHBondContact O-CA 3.39Å; T177-F233 PolarHBondContact O-N 3.33Å; T177-V242 CarbonylContact C-O 3.6Å; T177-V242 WeakPolarHBondContact CA-O 3.43Å; T177-V242 PolarHBondContact OG1-O 2.9Å; T177-Y314 PolarHBondContact OG1-OH 3.04Å
178V98.9Very high98.2Very high57 Ų5748.4 Ų48.435%0.34528%0.275SS..EExtended strand (participates in β ladder)trans-89.5107.9166.3-177.90000105.8T176 V235 S241 V242T176-V178 HydrophobicContact CG2-CG2 4.44Å; V178-V235 HydrophobicContact CG1-CB 4.35Å; V178-V235 HydrophobicContact CG1-CG1 3.64Å; V178-V235 HydrophobicContact CG1-CG2 3.73Å; V178-S241 WeakPolarHBondContact O-CA 3.27Å; V178-V242 HydrophobicContact CB-CG1 3.73Å; V178-V242 HydrophobicContact CG2-CG1 4.43Å; V178-V242 PolarHBondContact N-O 3.46Å; V178-V242 PolarHBondContact O-N 2.81Å
179H98.9Very high98.2Very high4 Ų451.7 Ų51.72%0.01929%0.293CS..EExtended strand (participates in β ladder)trans-120.6138.4-160.9-163.9-50.6000110.9C152 T177 F233 R234 V235 S241 Y314C152-H179 PolarHBondContact SG-NE2 3.19Å; T177-H179 HydrophobicContact CG2-CB 4.37Å; H179-F233 PolarHBondContact N-O 2.88Å; H179-R234 PolarHBondContact CD2-NH1 2.81Å; H179-R234 VanDerWaalsContact CD2-NH1 3.27Å; H179-R234 PolarHBondContact CE1-NH1 3.14Å; H179-R234 VanDerWaalsContact CE1-NH1 3.29Å; H179-R234 PolarHBondContact ND1-NH1 2.8Å; H179-R234 PolarHBondContact NE2-NH1 3.17Å; H179-R234 CarbonylContact O-C 3.53Å; H179-R234 VanDerWaalsContact O-CA 3.26Å; H179-R234 WeakPolarHBondContact O-CA 3.31Å; H179-V235 PolarHBondContact O-N 3.44Å; H179-S241 VanDerWaalsContact CA-OG 3.29Å; H179-S241 WeakPolarHBondContact CA-OG 3.49Å; H179-S241 PolarHBondContact CE1-OG 2.62Å; H179-S241 VanDerWaalsContact CG-OG 3.23Å; H179-S241 PolarHBondContact ND1-OG 3Å; H179-Y314 PolarHBondContact CD2-OH 3.44Å
180A98.7Very high98.1Very high0 Ų052.7 Ų52.70%030%0.303CS..EExtended strand (participates in β ladder)trans-49146.4165.800000111.7V237 S241A180-V237 WeakPolarHBondContact CA-O 3.23Å; A180-V237 HydrophobicContact CB-CG2 3.85Å; A180-V237 WeakPolarHBondContact CB-O 3.46Å; A180-S241 PolarHBondContact N-OG 3.3Å
181Y97.7Very high98.1Very high80 Ų8058.5 Ų58.531%0.31434%0.341SS..  trans-69.6156.6168.167-99.5000109.7A202 V235 V237Y181-A202 HydrophobicContact CD1-CB 4.2Å; Y181-A202 HydrophobicContact CD2-CB 4.1Å; Y181-A202 HydrophobicContact CG-CB 3.81Å; Y181-V235 PolarHBondContact N-O 3.43Å; Y181-V237 VanDerWaalsContact CD1-O 3.24Å; Y181-V237 WeakPolarHBondContact CD1-O 3.14Å; Y181-V237 WeakPolarHBondContact CE1-O 3.29Å; Y181-V237 PolarHBondContact N-O 3.49Å
182T97.5Very high98Very high46 Ų4656.2 Ų56.228%0.28233%0.333SS..  trans-126.7-178.3-176.377.30000110.7T184 Q185T182-T184 PolarHBondContact O-N 3.4Å; T182-T184 PolarHBondContact OG1-N 3.38Å; T182-T184 PolarHBondContact OG1-OG1 3.49Å; T182-Q185 VanDerWaalsContact N-CD 3.33Å; T182-Q185 PolarHBondContact O-N 3.12Å; T182-Q185 PolarHBondContact O-OE1 2.86Å; T182-Q185 PolarHBondContact OG1-OE1 3.16Å
183A96.8Very high97.5Very high93 Ų9357.8 Ų57.877%0.76936%0.356SS*.THydrogen-bonded Turntrans-60.5-12.617700000114
184T94.3Very high97Very high74 Ų7464.5 Ų64.545%0.45438%0.383SS..THydrogen-bonded Turntrans-78.7-25.4177.959.50000113.5T182 K186T182-T184 PolarHBondContact O-N 3.4Å; T182-T184 PolarHBondContact OG1-N 3.38Å; T182-T184 PolarHBondContact OG1-OG1 3.49Å; T184-K186 PolarHBondContact O-NZ 3.2Å
185Q97.6Very high96.7Very high14 Ų1460.8 Ų60.87%0.06537%0.369CS..SBendtrans-78.2176.3-180-69.886.7-32.500111.2T182 A202 R234T182-Q185 VanDerWaalsContact N-CD 3.33Å; T182-Q185 PolarHBondContact O-N 3.12Å; T182-Q185 PolarHBondContact O-OE1 2.86Å; T182-Q185 PolarHBondContact OG1-OE1 3.16Å; Q185-A202 HydrophobicContact CB-CB 3.82Å; Q185-R234 VanDerWaalsContact NE2-CD 3.34Å; Q185-R234 VanDerWaalsContact NE2-CG 3.35Å
186K97.9Very high96.7Very high72 Ų7272.2 Ų72.231%0.31341%0.412SS..BIsolated β-bridgetrans-118.5147.9-174.9-57.9-69.5166.4-81.60110.8T184 V188 P191 A202T184-K186 PolarHBondContact O-NZ 3.2Å; K186-V188 WeakPolarHBondContact CB-O 3.22Å; K186-P191 WeakPolarHBondContact CE-O 3.42Å; K186-A202 VanDerWaalsContact O-CB 3.31Å; K186-A202 WeakPolarHBondContact O-CB 3.2Å; K186-A202 PolarHBondContact O-N 3.3Å
187T98.1Very high96.7Very high113 Ų11377.6 Ų77.669%0.69343%0.429SS*.SBendtrans-64.5-43.6176.146.80000110.9H203T187-H203 PolarHBondContact O-CE1 2.85Å; T187-H203 PolarHBondContact O-ND1 3.47Å
188V98.2Very high96.6Very high91 Ų9178 Ų7855%0.55243%0.431SS*.SBendtrans-126.8170.4175.5-63.30000110.2K186 G190K186-V188 WeakPolarHBondContact CB-O 3.22Å; V188-G190 PolarHBondContact O-N 3.16Å
189D98.5Very high96.5Very high86 Ų8675.4 Ų75.446%0.4642%0.416SS..SBendtrans-55.5122.9177.2-73.3-2.1000111.5G199 R200 G201D189-G199 CarbonylContact C-O 3.54Å; D189-G199 WeakPolarHBondContact CA-O 3.49Å; D189-R200 VanDerWaalsContact OD1-CA 3.22Å; D189-R200 WeakPolarHBondContact OD1-CA 3.34Å; D189-R200 IonicContact OD1-CZ 3.29Å; D189-R200 IonicContact OD1-NE 2.75Å; D189-R200 PolarHBondContact OD1-NE 3.03Å; D189-R200 IonicContact OD1-NH2 2.67Å; D189-R200 IonicContact OD2-CZ 2.71Å; D189-R200 VanDerWaalsContact OD2-CZ 3.3Å; D189-R200 IonicContact OD2-NE 2.72Å; D189-R200 PolarHBondContact OD2-NE 2.66Å; D189-R200 IonicContact OD2-NH2 3.42Å; D189-R200 PolarHBondContact OD2-NH2 3.23Å; D189-G201 PolarHBondContact OD1-N 3.29Å
190G98.1Very high96.5Very high34 Ų3480.7 Ų80.735%0.35144%0.436SS..  trans-163.4177.2-175.800000113.5V188 G199V188-G190 PolarHBondContact O-N 3.16Å; G190-G199 PolarHBondContact N-O 2.99Å; G190-G199 CarbonylContact O-C 3.58Å; G190-G199 WeakPolarHBondContact O-CA 3.41Å; G190-G199 VanDerWaalsContact O-O 3.13Å
191P97.5Very high96.5Very high122 Ų12280.7 Ų80.779%0.79244%0.436SS*.  trans-68.9140.9-177.127.6-33.7000112K186K186-P191 WeakPolarHBondContact CE-O 3.42Å
192S96.4Very high96.5Very high27 Ų2777.2 Ų77.219%0.18942%0.423CS..  trans-129.8124173.4171.90000109.7K194 A195S192-K194 VanDerWaalsContact C-N 3.29Å; S192-K194 PolarHBondContact O-N 3.24Å; S192-A195 WeakPolarHBondContact CB-O 3.2Å; S192-A195 PolarHBondContact OG-N 3.05Å; S192-A195 PolarHBondContact OG-O 3.41Å
193S89.4Confident96.5Very high138 Ų13880 Ų8097%0.96543%0.433SS*.SBendtrans-71.6-24.2179.5530000113.1
194K86.9Confident96.6Very high148 Ų14881.6 Ų81.664%0.64342%0.424SS*.SBendtrans-90.6-48.6-174.2-175.2-176.7176.9-174.60112.6S192S192-K194 VanDerWaalsContact C-N 3.29Å; S192-K194 PolarHBondContact O-N 3.24Å
195A93.6Very high96.8Very high37 Ų3780 Ų8031%0.30641%0.413SS..  trans-160.1138.1-176.100000110.5S192 R197 D198S192-A195 WeakPolarHBondContact CB-O 3.2Å; S192-A195 PolarHBondContact OG-N 3.05Å; S192-A195 PolarHBondContact OG-O 3.41Å; A195-R197 VanDerWaalsContact C-N 3.29Å; A195-R197 PolarHBondContact O-N 2.87Å; A195-D198 PolarHBondContact O-N 2.92Å; A195-D198 VanDerWaalsContact O-N 3.12Å
196W97.9Very high96.8Very high242 Ų24285 Ų8592%0.91744%0.439SS*.G310 helixtrans-58.1-38.7-176.5-62.4-8.8000113.4D198 G199W196-D198 VanDerWaalsContact C-N 3.31Å; W196-D198 PolarHBondContact O-N 3.47Å; W196-G199 PolarHBondContact O-N 3.29Å; W196-G199 VanDerWaalsContact O-N 3.17Å
197R98.4Very high96.9Very high151 Ų15181.9 Ų81.957%0.5743%0.426SS*.G310 helixtrans-63.6-35.7179.5-65.2-176.8-177.9173.80.1112.5A195 G199 R200 I207 P208A195-R197 VanDerWaalsContact C-N 3.29Å; A195-R197 PolarHBondContact O-N 2.87Å; R197-G199 PolarHBondContact O-N 2.87Å; R197-R200 WeakPolarHBondContact O-CB 3.19Å; R197-R200 WeakPolarHBondContact O-CG 3.13Å; R197-R200 PolarHBondContact O-N 3.4Å; R197-R200 VanDerWaalsContact O-N 3.14Å; R197-I207 HydrophobicContact CB-CG2 3.73Å; R197-I207 VanDerWaalsContact O-CG2 3.31Å; R197-I207 WeakPolarHBondContact O-CG2 3.49Å; R197-P208 WeakPolarHBondContact CD-O 3.25Å
198D96.9Very high96.9Very high9 Ų978.4 Ų78.45%0.04841%0.405CS..G310 helixtrans-69.5-12.2179.4-66.1-14.1000112.8A195 W196 R200A195-D198 PolarHBondContact O-N 2.92Å; A195-D198 VanDerWaalsContact O-N 3.12Å; W196-D198 VanDerWaalsContact C-N 3.31Å; W196-D198 PolarHBondContact O-N 3.47Å; D198-R200 VanDerWaalsContact C-N 3.34Å
199G98Very high96.9Very high3 Ų374.8 Ų74.83%0.03138%0.384CS..G310 helixtrans-81.4-10.9174.200000114.1D189 G190 W196 R197D189-G199 CarbonylContact C-O 3.54Å; D189-G199 WeakPolarHBondContact CA-O 3.49Å; G190-G199 PolarHBondContact N-O 2.99Å; G190-G199 CarbonylContact O-C 3.58Å; G190-G199 WeakPolarHBondContact O-CA 3.41Å; G190-G199 VanDerWaalsContact O-O 3.13Å; W196-G199 PolarHBondContact O-N 3.29Å; W196-G199 VanDerWaalsContact O-N 3.17Å; R197-G199 PolarHBondContact O-N 2.87Å
200R98.5Very high96.8Very high115 Ų11575.9 Ų75.943%0.43440%0.399SS..SBendtrans-76.3151.7178.9-56.4-59.8-55.8-71.62.1111.2D189 R197 D198 A202 I207D189-R200 VanDerWaalsContact OD1-CA 3.22Å; D189-R200 WeakPolarHBondContact OD1-CA 3.34Å; D189-R200 IonicContact OD1-CZ 3.29Å; D189-R200 IonicContact OD1-NE 2.75Å; D189-R200 PolarHBondContact OD1-NE 3.03Å; D189-R200 IonicContact OD1-NH2 2.67Å; D189-R200 IonicContact OD2-CZ 2.71Å; D189-R200 VanDerWaalsContact OD2-CZ 3.3Å; D189-R200 IonicContact OD2-NE 2.72Å; D189-R200 PolarHBondContact OD2-NE 2.66Å; D189-R200 IonicContact OD2-NH2 3.42Å; D189-R200 PolarHBondContact OD2-NH2 3.23Å; R197-R200 WeakPolarHBondContact O-CB 3.19Å; R197-R200 WeakPolarHBondContact O-CG 3.13Å; R197-R200 PolarHBondContact O-N 3.4Å; R197-R200 VanDerWaalsContact O-N 3.14Å; D198-R200 VanDerWaalsContact C-N 3.34Å; R200-A202 PolarHBondContact O-N 3.08Å; R200-A202 VanDerWaalsContact O-N 3.13Å; R200-I207 HydrophobicContact CB-CD1 4.47Å
201G98.5Very high96.6Very high0 Ų075.9 Ų75.90%039%0.392CS..BIsolated β-bridgetrans-54.1114.7-178.100000113.1D189 H203 Q204 N205D189-G201 PolarHBondContact OD1-N 3.29Å; G201-H203 PolarHBondContact O-N 3.33Å; G201-Q204 PolarHBondContact O-N 2.71Å; G201-N205 PolarHBondContact O-N 2.59Å; G201-N205 PolarHBondContact O-ND2 2.72Å
202A98.2Very high96.4Very high6 Ų672.3 Ų72.35%0.0538%0.377CS..THydrogen-bonded Turntrans-65.4-34.8-169.300000113.8Y181 Q185 K186 R200 Q204Y181-A202 HydrophobicContact CD1-CB 4.2Å; Y181-A202 HydrophobicContact CD2-CB 4.1Å; Y181-A202 HydrophobicContact CG-CB 3.81Å; Q185-A202 HydrophobicContact CB-CB 3.82Å; K186-A202 VanDerWaalsContact O-CB 3.31Å; K186-A202 WeakPolarHBondContact O-CB 3.2Å; K186-A202 PolarHBondContact O-N 3.3Å; R200-A202 PolarHBondContact O-N 3.08Å; R200-A202 VanDerWaalsContact O-N 3.13Å; A202-Q204 VanDerWaalsContact C-N 3.25Å; A202-Q204 PolarHBondContact O-N 3.36Å
203H96.9Very high96.3Very high106 Ų10671.1 Ų71.149%0.49137%0.369SS..THydrogen-bonded Turntrans-80.5-4.4-177.770.5-77.3000113.4T187 G201T187-H203 PolarHBondContact O-CE1 2.85Å; T187-H203 PolarHBondContact O-ND1 3.47Å; G201-H203 PolarHBondContact O-N 3.33Å
204Q98.3Very high96.5Very high125 Ų12564.5 Ų64.558%0.58432%0.323SS*.THydrogen-bonded Turntrans-116.7-14.3-172.9-59.4175.7-62.800113.4G201 A202G201-Q204 PolarHBondContact O-N 2.71Å; A202-Q204 VanDerWaalsContact C-N 3.25Å; A202-Q204 PolarHBondContact O-N 3.36Å
205N98.8Very high96.9Very high42 Ų4263.8 Ų63.823%0.22532%0.32CS..  trans-127.7147.8-165.5-70-81.6000112.8G201 I207 P236G201-N205 PolarHBondContact O-N 2.59Å; G201-N205 PolarHBondContact O-ND2 2.72Å; N205-I207 HydrophobicContact CB-CD1 4.19Å; N205-I207 HydrophobicContact CB-CG1 3.61Å; N205-P236 WeakPolarHBondContact O-CD 3.47Å
206I98.8Very high97Very high119 Ų11962.4 Ų62.461%0.6131%0.308SS*.  trans-88.2114.8154.9-59.3172.7000106.4F233 R234 V235I206-F233 HydrophobicContact CG2-CB 4.02Å; I206-F233 HydrophobicContact CG2-CD1 3.7Å; I206-F233 HydrophobicContact CG2-CG 4.15Å; I206-R234 CarbonylContact C-O 3.57Å; I206-R234 WeakPolarHBondContact CA-O 3.49Å; I206-V235 HydrophobicContact CG1-CG1 4.27Å; I206-V235 HydrophobicContact CG2-CG1 4.22Å
207I98.7Very high97Very high6 Ų650.9 Ų50.93%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-112.1107.1-170.4-52.1176.5000109.4R197 R200 N205 A209 F233 R234R197-I207 HydrophobicContact CB-CG2 3.73Å; R197-I207 VanDerWaalsContact O-CG2 3.31Å; R197-I207 WeakPolarHBondContact O-CG2 3.49Å; R200-I207 HydrophobicContact CB-CD1 4.47Å; N205-I207 HydrophobicContact CB-CD1 4.19Å; N205-I207 HydrophobicContact CB-CG1 3.61Å; I207-A209 PolarHBondContact O-N 3.29Å; I207-F233 CarbonylContact O-C 3.42Å; I207-F233 WeakPolarHBondContact O-CA 3.3Å; I207-R234 HydrophobicContact CB-CB 4.08Å; I207-R234 HydrophobicContact CB-CG 4.5Å; I207-R234 PolarHBondContact N-O 2.92Å; I207-R234 PolarHBondContact O-N 3.23Å
208P98.6Very high96.9Very high40 Ų4043.9 Ų43.926%0.2624%0.24SC..EExtended strand (participates in β ladder)trans-70.9132.5174.81.88.2000110.8R197 M231 A232 F233R197-P208 WeakPolarHBondContact CD-O 3.25Å; P208-M231 HydrophobicContact CB-CE 3.96Å; P208-A232 CarbonylContact C-O 3.43Å; P208-A232 WeakPolarHBondContact CA-O 3.31Å; P208-F233 HydrophobicContact CB-CD1 3.84Å; P208-F233 HydrophobicContact CB-CE1 3.69Å; P208-F233 HydrophobicContact CG-CD1 4.11Å; P208-F233 HydrophobicContact CG-CE1 3.87Å
209A97.6Very high96.9Very high14 Ų1449.6 Ų49.612%0.11627%0.265CS..EExtended strand (participates in β ladder)trans-134.1148.5-177.800000111.3I207 A232I207-A209 PolarHBondContact O-N 3.29Å; A209-A232 HydrophobicContact CB-CB 4.38Å; A209-A232 PolarHBondContact N-O 3.42Å; A209-A232 PolarHBondContact O-N 2.97Å
210S95.9Very high96.9Very high109 Ų10949.5 Ų49.576%0.76226%0.263SS*.EExtended strand (participates in β ladder)trans-76.8149.2168.357.80000110.3
211T94.5Very high96.9Very high34 Ų3444.8 Ų44.821%0.20925%0.247CC..  trans-144.3141173.6-179.50000110.9M175 A213 A232M175-T211 HydrophobicContact CE-CG2 4.17Å; T211-A213 VanDerWaalsContact C-N 3.31Å; T211-A213 WeakPolarHBondContact OG1-CB 3.38Å; T211-A213 PolarHBondContact OG1-N 3.38Å; T211-A213 VanDerWaalsContact OG1-N 3.12Å; T211-A232 HydrophobicContact CG2-CB 4.29Å
212G93Very high96.9Very high47 Ų4748.2 Ų48.249%0.48527%0.269SS..SBendtrans-85.9-1.7171.300000113.3A214 K215 A216G212-A214 PolarHBondContact O-N 2.97Å; G212-K215 PolarHBondContact O-N 2.93Å; G212-K215 VanDerWaalsContact O-N 3.16Å; G212-A216 PolarHBondContact O-N 2.75Å
213A94.3Very high96.9Very high2 Ų253.4 Ų53.42%0.01730%0.295CS..Hα-helixtrans-61.3-41.8-167.400000113.9T153 T154 M175 T211 A216 V217T153-A213 HydrophobicContact CG2-CB 3.76Å; T154-A213 WeakPolarHBondContact OG1-CA 3.34Å; T154-A213 PolarHBondContact OG1-O 3.17Å; T154-A213 VanDerWaalsContact OG1-O 3.04Å; M175-A213 HydrophobicContact CE-CB 4.25Å; T211-A213 VanDerWaalsContact C-N 3.31Å; T211-A213 WeakPolarHBondContact OG1-CB 3.38Å; T211-A213 PolarHBondContact OG1-N 3.38Å; T211-A213 VanDerWaalsContact OG1-N 3.12Å; A213-A216 WeakPolarHBondContact O-CB 3.37Å; A213-A216 PolarHBondContact O-N 2.59Å; A213-V217 PolarHBondContact O-N 3.18Å
214A94.1Very high97Very high0 Ų048.4 Ų48.40%027%0.272CS..Hα-helixtrans-68.6-40175.700000112.4L157 M175 G212 A216 V217 L228 T229L157-A214 HydrophobicContact CD2-CB 3.92Å; M175-A214 HydrophobicContact CB-CB 4.07Å; M175-A214 HydrophobicContact CE-CB 3.61Å; G212-A214 PolarHBondContact O-N 2.97Å; A214-A216 PolarHBondContact O-N 2.95Å; A214-V217 VanDerWaalsContact O-CB 3.28Å; A214-V217 WeakPolarHBondContact O-CB 3.5Å; A214-V217 PolarHBondContact O-N 2.85Å; A214-V217 VanDerWaalsContact O-N 3.12Å; A214-L228 HydrophobicContact CB-CB 4.46Å; A214-T229 VanDerWaalsContact CB-C 3.42Å
215K95.4Very high97Very high132 Ų13247.9 Ų47.957%0.57427%0.274SS*.Hα-helixtrans-62.8-34.9173.9-65.5-174.5179.4-176.30111.6G212 V217 G218 T229G212-K215 PolarHBondContact O-N 2.93Å; G212-K215 VanDerWaalsContact O-N 3.16Å; K215-V217 PolarHBondContact O-N 3.26Å; K215-G218 PolarHBondContact O-N 2.81Å; K215-G218 VanDerWaalsContact O-N 3.13Å; K215-T229 WeakPolarHBondContact CE-OG1 3.23Å
216A96.6Very high96.9Very high8 Ų849.5 Ų49.57%0.06630%0.3CS..Hα-helixtrans-66.2-21.717700000113.3M129 T154 G212 A213 A214 G218 K219 V220M129-A216 HydrophobicContact CE-CB 3.88Å; T154-A216 HydrophobicContact CG2-CB 4.13Å; G212-A216 PolarHBondContact O-N 2.75Å; A213-A216 WeakPolarHBondContact O-CB 3.37Å; A213-A216 PolarHBondContact O-N 2.59Å; A214-A216 PolarHBondContact O-N 2.95Å; A216-G218 PolarHBondContact O-N 3.01Å; A216-K219 WeakPolarHBondContact O-CB 3.48Å; A216-K219 PolarHBondContact O-N 3.4Å; A216-V220 PolarHBondContact O-N 2.98Å
217V97.8Very high96.9Very high0 Ų047.5 Ų47.50%029%0.287CS..Hα-helixtrans-58.7-39.3170.8179.40000110.7T154 L157 A158 A161 A213 A214 K215 K219 V220 I221 L224T154-V217 HydrophobicContact CG2-CG2 4.34Å; L157-V217 HydrophobicContact CB-CG2 4.24Å; L157-V217 HydrophobicContact CD2-CG2 3.59Å; L157-V217 HydrophobicContact CG-CG2 3.8Å; A158-V217 HydrophobicContact CB-CG1 4.36Å; A158-V217 HydrophobicContact CB-CG2 4.28Å; A161-V217 HydrophobicContact CB-CG1 4.16Å; A213-V217 PolarHBondContact O-N 3.18Å; A214-V217 VanDerWaalsContact O-CB 3.28Å; A214-V217 WeakPolarHBondContact O-CB 3.5Å; A214-V217 PolarHBondContact O-N 2.85Å; A214-V217 VanDerWaalsContact O-N 3.12Å; K215-V217 PolarHBondContact O-N 3.26Å; V217-K219 PolarHBondContact O-N 2.9Å; V217-V220 WeakPolarHBondContact O-CG2 3.2Å; V217-V220 PolarHBondContact O-N 3.39Å; V217-V220 VanDerWaalsContact O-N 3.16Å; V217-I221 HydrophobicContact CG1-CD1 3.92Å; V217-I221 PolarHBondContact O-N 3.18Å; V217-L224 HydrophobicContact CG1-CD1 4.05Å
218G96.6Very high96.9Very high5 Ų547.6 Ų47.65%0.05229%0.288CS..Hα-helixtrans-63.5-18.7175.100000114.7K215 A216 P222K215-G218 PolarHBondContact O-N 2.81Å; K215-G218 VanDerWaalsContact O-N 3.13Å; A216-G218 PolarHBondContact O-N 3.01Å; G218-P222 WeakPolarHBondContact O-CA 3.2Å
219K96.8Very high96.9Very high129 Ų12948.2 Ų48.256%0.56129%0.291SS*.Hα-helixtrans-82.1-36.4174.2-68.1-179.2168-167.50112.1M129 A216 V217M129-K219 HydrophobicContact CE-CB 4.16Å; M129-K219 HydrophobicContact CE-CD 3.28Å; M129-K219 HydrophobicContact CE-CG 4.32Å; A216-K219 WeakPolarHBondContact O-CB 3.48Å; A216-K219 PolarHBondContact O-N 3.4Å; V217-K219 PolarHBondContact O-N 2.9Å
220V98.1Very high96.9Very high1 Ų148.3 Ų48.31%0.00629%0.294CS..Hα-helixtrans-87.6-28.1179.9-63.60000112.4M129 V131 V134 N135 A158 A216 V217M129-V220 HydrophobicContact CB-CG1 4.31Å; V131-V220 HydrophobicContact CG2-CG1 4.22Å; V131-V220 HydrophobicContact CG2-CG2 4.42Å; V134-V220 HydrophobicContact CG1-CB 4.41Å; V134-V220 HydrophobicContact CG1-CG2 4.32Å; N135-V220 HydrophobicContact CB-CB 4.39Å; N135-V220 WeakPolarHBondContact CB-O 3.48Å; A158-V220 HydrophobicContact CB-CG2 3.97Å; A216-V220 PolarHBondContact O-N 2.98Å; V217-V220 WeakPolarHBondContact O-CG2 3.2Å; V217-V220 PolarHBondContact O-N 3.39Å; V217-V220 VanDerWaalsContact O-N 3.16Å
221I98.4Very high97Very high16 Ų1645.6 Ų45.68%0.08227%0.269CS..SBendtrans-121.387.8172.8-53.2168.3000107.8V134 A158 K162 V217 D223 L224V134-I221 HydrophobicContact CG1-CD1 3.9Å; V134-I221 HydrophobicContact CG1-CG1 3.52Å; A158-I221 HydrophobicContact CB-CD1 4.43Å; A158-I221 WeakPolarHBondContact O-CD1 3.43Å; K162-I221 HydrophobicContact CB-CD1 3.75Å; V217-I221 HydrophobicContact CG1-CD1 3.92Å; V217-I221 PolarHBondContact O-N 3.18Å; I221-D223 PolarHBondContact O-N 3.06Å; I221-D223 VanDerWaalsContact O-N 3.15Å; I221-L224 HydrophobicContact CB-CB 4.33Å; I221-L224 HydrophobicContact CB-CD1 4.12Å; I221-L224 HydrophobicContact CB-CG 4.32Å; I221-L224 HydrophobicContact CD1-CD1 3.99Å; I221-L224 HydrophobicContact CG2-CB 4.17Å; I221-L224 HydrophobicContact CG2-CD1 3.8Å; I221-L224 HydrophobicContact CG2-CG 3.75Å; I221-L224 WeakPolarHBondContact O-CB 3.2Å; I221-L224 PolarHBondContact O-N 2.86Å
222P97.9Very high97.2Very high71 Ų7144 Ų4446%0.46126%0.26SS..G310 helixtrans-55-32.9-174.4-30.137.7000115.2G218 L224 N225G218-P222 WeakPolarHBondContact O-CA 3.2Å; P222-L224 PolarHBondContact O-N 2.85Å; P222-L224 VanDerWaalsContact O-N 3.11Å; P222-N225 WeakPolarHBondContact O-CB 3.3Å; P222-N225 PolarHBondContact O-N 2.67Å
223D98.2Very high97.5Very high115 Ų11545.1 Ų45.162%0.61525%0.251SS*.G310 helixtrans-65.9-14.1179.1-62.1-10.2000113.6I221 K227I221-D223 PolarHBondContact O-N 3.06Å; I221-D223 VanDerWaalsContact O-N 3.15Å; D223-K227 WeakPolarHBondContact O-CE 3.46Å; D223-K227 PolarHBondContact O-NZ 2.94Å
224L98.5Very high97.7Very high1 Ų146.6 Ų46.61%0.00526%0.257CS..G310 helixtrans-101.82.8175.8-67.7-175.2000113.3A161 H165 I170 V217 I221 P222 G226 K227 L228A161-L224 HydrophobicContact CB-CD1 4.04Å; H165-L224 HydrophobicContact CB-CD1 4.28Å; H165-L224 HydrophobicContact CB-CD2 4.21Å; H165-L224 VanDerWaalsContact ND1-CD2 3.35Å; H165-L224 WeakPolarHBondContact ND1-CD2 3.32Å; I170-L224 HydrophobicContact CB-CD2 3.87Å; I170-L224 HydrophobicContact CD1-CD1 4.4Å; I170-L224 HydrophobicContact CD1-CD2 4.35Å; I170-L224 HydrophobicContact CG2-CD2 4.36Å; V217-L224 HydrophobicContact CG1-CD1 4.05Å; I221-L224 HydrophobicContact CB-CB 4.33Å; I221-L224 HydrophobicContact CB-CD1 4.12Å; I221-L224 HydrophobicContact CB-CG 4.32Å; I221-L224 HydrophobicContact CD1-CD1 3.99Å; I221-L224 HydrophobicContact CG2-CB 4.17Å; I221-L224 HydrophobicContact CG2-CD1 3.8Å; I221-L224 HydrophobicContact CG2-CG 3.75Å; I221-L224 WeakPolarHBondContact O-CB 3.2Å; I221-L224 PolarHBondContact O-N 2.86Å; P222-L224 PolarHBondContact O-N 2.85Å; P222-L224 VanDerWaalsContact O-N 3.11Å; L224-G226 PolarHBondContact O-N 2.69Å; L224-K227 HydrophobicContact CD2-CD 4.24Å; L224-K227 PolarHBondContact O-N 2.88Å; L224-L228 HydrophobicContact CB-CD1 3.6Å; L224-L228 HydrophobicContact CD1-CD1 3.89Å; L224-L228 HydrophobicContact CD2-CD1 3.92Å; L224-L228 HydrophobicContact CG-CD1 4.01Å
225N98.3Very high97.9Very high114 Ų11447.7 Ų47.761%0.6126%0.263SS*.THydrogen-bonded Turntrans-60.4128.9177.4-171.138.3000111.1P222 K227P222-N225 WeakPolarHBondContact O-CB 3.3Å; P222-N225 PolarHBondContact O-N 2.67Å; N225-K227 PolarHBondContact O-N 2.88Å
226G97.9Very high98.1Very high76 Ų7644.4 Ų44.478%0.78426%0.255SS*.THydrogen-bonded Turntrans77.6-8.1-175.800000115.7L224L224-G226 PolarHBondContact O-N 2.69Å
227K98.6Very high98.2Very high77 Ų7746.3 Ų46.334%0.33527%0.266SS..THydrogen-bonded Turntrans-93.3-17.9-178-60.3-176.1-177.2165.30114.2I170 E171 E172 A173 D223 L224 N225I170-K227 WeakPolarHBondContact O-CD 3.45Å; E171-K227 WeakPolarHBondContact O-CD 3.33Å; E171-K227 WeakPolarHBondContact O-CG 3.47Å; E172-K227 CarbonylContact C-O 3.56Å; E172-K227 WeakPolarHBondContact CA-O 3.34Å; A173-K227 PolarHBondContact N-O 2.93Å; D223-K227 WeakPolarHBondContact O-CE 3.46Å; D223-K227 PolarHBondContact O-NZ 2.94Å; L224-K227 HydrophobicContact CD2-CD 4.24Å; L224-K227 PolarHBondContact O-N 2.88Å; N225-K227 PolarHBondContact O-N 2.88Å
228L98.3Very high98.2Very high8 Ų848.9 Ų48.94%0.04229%0.287CS..EExtended strand (participates in β ladder)trans-123.6133.1-179.2-66.993.1000112L157 A161 A173 A214 L224 L245L157-L228 HydrophobicContact CD2-CD2 4.32Å; A161-L228 HydrophobicContact CB-CD2 4.45Å; A173-L228 HydrophobicContact CB-CD2 4.09Å; A173-L228 HydrophobicContact CB-CG 3.96Å; A214-L228 HydrophobicContact CB-CB 4.46Å; L224-L228 HydrophobicContact CB-CD1 3.6Å; L224-L228 HydrophobicContact CD1-CD1 3.89Å; L224-L228 HydrophobicContact CD2-CD1 3.92Å; L224-L228 HydrophobicContact CG-CD1 4.01Å; L228-L245 HydrophobicContact CD2-CD1 4.16Å
229T98.3Very high98.3Very high53 Ų5349 Ų4933%0.32529%0.287SS..EExtended strand (participates in β ladder)trans-145.9173.9165.4-170.40000109.2A173 L174 M175 A214 K215A173-T229 PolarHBondContact O-N 2.79Å; L174-T229 WeakPolarHBondContact CA-O 3.12Å; L174-T229 HydrophobicContact CD2-CG2 3.56Å; M175-T229 PolarHBondContact N-O 2.8Å; A214-T229 VanDerWaalsContact CB-C 3.42Å; K215-T229 WeakPolarHBondContact CE-OG1 3.23Å
230G97.8Very high98.4Very high17 Ų1743 Ų4318%0.17526%0.261CS..EExtended strand (participates in β ladder)trans-175.9-176.1-177.200000114.3M175M175-G230 CarbonylContact O-C 3.56Å; M175-G230 WeakPolarHBondContact O-CA 3.4Å
231M98.6Very high98.4Very high52 Ų5243 Ų4326%0.25626%0.261SS..EExtended strand (participates in β ladder)trans-141176.3178.965.975.565.900110.2M175 T176 T177 P208 F233M175-M231 PolarHBondContact O-N 2.96Å; T176-M231 WeakPolarHBondContact CA-O 3.41Å; T176-M231 HydrophobicContact CG2-SD 3.84Å; T177-M231 PolarHBondContact N-O 3.39Å; P208-M231 HydrophobicContact CB-CE 3.96Å; M231-F233 HydrophobicContact CE-CD1 4.06Å; M231-F233 HydrophobicContact CE-CD2 3.8Å; M231-F233 HydrophobicContact CE-CE1 3.8Å; M231-F233 HydrophobicContact CE-CE2 3.49Å; M231-F233 VanDerWaalsContact CE-CE2 3.49Å; M231-F233 HydrophobicContact CE-CG 4.08Å; M231-F233 HydrophobicContact CE-CZ 3.5Å; M231-F233 VanDerWaalsContact CE-CZ 3.5Å; M231-F233 HydrophobicContact SD-CD2 3.71Å; M231-F233 HydrophobicContact SD-CE2 3.45Å; M231-F233 WeakPolarHBondContact SD-CE2 3.47Å; M231-F233 HydrophobicContact SD-CG 4.49Å; M231-F233 HydrophobicContact SD-CZ 4.06Å
232A98.6Very high98.5Very high1 Ų143.3 Ų43.31%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-130.2150.6177.400000111.4T177 P208 A209 T211T177-A232 HydrophobicContact CG2-CB 3.47Å; T177-A232 VanDerWaalsContact CG2-CB 3.47Å; T177-A232 CarbonylContact O-C 3.58Å; T177-A232 VanDerWaalsContact O-CA 3.26Å; T177-A232 WeakPolarHBondContact O-CA 3.39Å; P208-A232 CarbonylContact C-O 3.43Å; P208-A232 WeakPolarHBondContact CA-O 3.31Å; A209-A232 HydrophobicContact CB-CB 4.38Å; A209-A232 PolarHBondContact N-O 3.42Å; A209-A232 PolarHBondContact O-N 2.97Å; T211-A232 HydrophobicContact CG2-CB 4.29Å
233F98.8Very high98.5Very high70 Ų7040 Ų4031%0.30724%0.241SC..EExtended strand (participates in β ladder)trans-113.6122.6159.2-68.6-79.5000108.4T176 T177 H179 I206 I207 P208 M231 V235T176-F233 HydrophobicContact CG2-CD2 3.64Å; T176-F233 HydrophobicContact CG2-CE2 3.95Å; T177-F233 PolarHBondContact O-N 3.33Å; H179-F233 PolarHBondContact N-O 2.88Å; I206-F233 HydrophobicContact CG2-CB 4.02Å; I206-F233 HydrophobicContact CG2-CD1 3.7Å; I206-F233 HydrophobicContact CG2-CG 4.15Å; I207-F233 CarbonylContact O-C 3.42Å; I207-F233 WeakPolarHBondContact O-CA 3.3Å; P208-F233 HydrophobicContact CB-CD1 3.84Å; P208-F233 HydrophobicContact CB-CE1 3.69Å; P208-F233 HydrophobicContact CG-CD1 4.11Å; P208-F233 HydrophobicContact CG-CE1 3.87Å; M231-F233 HydrophobicContact CE-CD1 4.06Å; M231-F233 HydrophobicContact CE-CD2 3.8Å; M231-F233 HydrophobicContact CE-CE1 3.8Å; M231-F233 HydrophobicContact CE-CE2 3.49Å; M231-F233 VanDerWaalsContact CE-CE2 3.49Å; M231-F233 HydrophobicContact CE-CG 4.08Å; M231-F233 HydrophobicContact CE-CZ 3.5Å; M231-F233 VanDerWaalsContact CE-CZ 3.5Å; M231-F233 HydrophobicContact SD-CD2 3.71Å; M231-F233 HydrophobicContact SD-CE2 3.45Å; M231-F233 WeakPolarHBondContact SD-CE2 3.47Å; M231-F233 HydrophobicContact SD-CG 4.49Å; M231-F233 HydrophobicContact SD-CZ 4.06Å; F233-V235 HydrophobicContact CB-CG1 4.5Å
234R98.6Very high98.5Very high33 Ų3336.2 Ų36.213%0.12522%0.222CC..EExtended strand (participates in β ladder)trans-82130.2168.1-47.6-65.7-170.3174.5-7.5108.1H179 Q185 I206 I207H179-R234 PolarHBondContact CD2-NH1 2.81Å; H179-R234 VanDerWaalsContact CD2-NH1 3.27Å; H179-R234 PolarHBondContact CE1-NH1 3.14Å; H179-R234 VanDerWaalsContact CE1-NH1 3.29Å; H179-R234 PolarHBondContact ND1-NH1 2.8Å; H179-R234 PolarHBondContact NE2-NH1 3.17Å; H179-R234 CarbonylContact O-C 3.53Å; H179-R234 VanDerWaalsContact O-CA 3.26Å; H179-R234 WeakPolarHBondContact O-CA 3.31Å; Q185-R234 VanDerWaalsContact NE2-CD 3.34Å; Q185-R234 VanDerWaalsContact NE2-CG 3.35Å; I206-R234 CarbonylContact C-O 3.57Å; I206-R234 WeakPolarHBondContact CA-O 3.49Å; I207-R234 HydrophobicContact CB-CB 4.08Å; I207-R234 HydrophobicContact CB-CG 4.5Å; I207-R234 PolarHBondContact N-O 2.92Å; I207-R234 PolarHBondContact O-N 3.23Å
235V98.8Very high98.6Very high23 Ų2336.2 Ų36.214%0.13922%0.221CC..EExtended strand (participates in β ladder)trans-124.6161.1-178.4-60.10000111.6V178 H179 Y181 I206 F233 V237V178-V235 HydrophobicContact CG1-CB 4.35Å; V178-V235 HydrophobicContact CG1-CG1 3.64Å; V178-V235 HydrophobicContact CG1-CG2 3.73Å; H179-V235 PolarHBondContact O-N 3.44Å; Y181-V235 PolarHBondContact N-O 3.43Å; I206-V235 HydrophobicContact CG1-CG1 4.27Å; I206-V235 HydrophobicContact CG2-CG1 4.22Å; F233-V235 HydrophobicContact CB-CG1 4.5Å; V235-V237 HydrophobicContact CG2-CG1 4.36Å; V235-V237 HydrophobicContact CG2-CG2 3.84Å; V235-V237 PolarHBondContact O-N 3.23Å
236P98.6Very high98.6Very high63 Ų6332.2 Ų32.241%0.40920%0.201SC..SBendtrans-68.748.9-178.2-23.637.3000116N205N205-P236 WeakPolarHBondContact O-CD 3.47Å
237V98.5Very high98.6Very high48 Ų4828.7 Ų28.729%0.29116%0.164SC..  trans-118.7141.8170.3-560000109.1A180 Y181 V235A180-V237 WeakPolarHBondContact CA-O 3.23Å; A180-V237 HydrophobicContact CB-CG2 3.85Å; A180-V237 WeakPolarHBondContact CB-O 3.46Å; Y181-V237 VanDerWaalsContact CD1-O 3.24Å; Y181-V237 WeakPolarHBondContact CD1-O 3.14Å; Y181-V237 WeakPolarHBondContact CE1-O 3.29Å; Y181-V237 PolarHBondContact N-O 3.49Å; V235-V237 HydrophobicContact CG2-CG1 4.36Å; V235-V237 HydrophobicContact CG2-CG2 3.84Å; V235-V237 PolarHBondContact O-N 3.23Å
238A97.9Very high98.6Very high53 Ų5329.2 Ų29.244%0.43816%0.164SC..SBendtrans-79.3-28.4-171.400000113.3
239D98.8Very high98.7Very high9 Ų928.8 Ų28.85%0.04816%0.162CC..SBendtrans-157.4174.2175.8-158.68.2000110T51 H52 N316 E317T51-D239 HydrophobicContact CG2-CB 3.41Å; T51-D239 VanDerWaalsContact CG2-CB 3.41Å; T51-D239 WeakPolarHBondContact CG2-OD2 3.34Å; H52-D239 IonicContact CE1-OD2 3.56Å; H52-D239 PolarHBondContact CE1-OD2 2.94Å; H52-D239 VanDerWaalsContact CE1-OD2 3.26Å; H52-D239 IonicContact NE2-OD2 3.67Å; H52-D239 PolarHBondContact NE2-OD2 3.13Å; D239-N316 PolarHBondContact OD1-ND2 2.68Å; D239-N316 PolarHBondContact OD1-OD1 2.78Å; D239-E317 WeakPolarHBondContact OD1-CG 3.38Å
240V98.9Very high98.7Very high2 Ų229.6 Ų29.61%0.01217%0.17CC..  trans65.5136.5-170.4-177.70000112.3S283 F286 I287 W313 D315 N316V240-S283 WeakPolarHBondContact CB-O 3.37Å; V240-S283 VanDerWaalsContact CG1-O 3.31Å; V240-S283 WeakPolarHBondContact CG1-O 3.37Å; V240-S283 WeakPolarHBondContact CG2-O 3.17Å; V240-F286 HydrophobicContact CG1-CB 4.02Å; V240-F286 HydrophobicContact CG1-CD2 4.36Å; V240-F286 HydrophobicContact CG2-CB 4.12Å; V240-I287 HydrophobicContact CG2-CG1 3.8Å; V240-W313 HydrophobicContact CG1-CE3 3.95Å; V240-W313 HydrophobicContact CG1-CZ3 4.46Å; V240-D315 HydrophobicContact CG2-CB 4.29Å; V240-N316 VanDerWaalsContact C-OD1 3.27Å; V240-N316 WeakPolarHBondContact CA-OD1 3.27Å; V240-N316 PolarHBondContact N-OD1 3.24Å
241S98.9Very high98.7Very high2 Ų235 Ų351%0.01419%0.189CC..EExtended strand (participates in β ladder)trans-137.6166.5-178-64.30000109.7V178 H179 A180 Y314 N316V178-S241 WeakPolarHBondContact O-CA 3.27Å; H179-S241 VanDerWaalsContact CA-OG 3.29Å; H179-S241 WeakPolarHBondContact CA-OG 3.49Å; H179-S241 PolarHBondContact CE1-OG 2.62Å; H179-S241 VanDerWaalsContact CG-OG 3.23Å; H179-S241 PolarHBondContact ND1-OG 3Å; A180-S241 PolarHBondContact N-OG 3.3Å; S241-Y314 VanDerWaalsContact CB-CE1 3.42Å; S241-Y314 VanDerWaalsContact CB-OH 3.32Å; S241-Y314 WeakPolarHBondContact CB-OH 2.96Å; S241-Y314 PolarHBondContact N-O 2.86Å; S241-Y314 VanDerWaalsContact O-CD1 3.29Å; S241-Y314 WeakPolarHBondContact O-CD1 3.23Å; S241-Y314 PolarHBondContact O-N 3.19Å; S241-N316 PolarHBondContact N-OD1 3.09Å; S241-N316 PolarHBondContact OG-OD1 3.1Å
242V98.9Very high98.7Very high22 Ų2235.8 Ų35.813%0.13320%0.199CC..EExtended strand (participates in β ladder)trans-135.2141.4179.263.80000110.5T177 V178 I311 S312 W313T177-V242 CarbonylContact C-O 3.6Å; T177-V242 WeakPolarHBondContact CA-O 3.43Å; T177-V242 PolarHBondContact OG1-O 2.9Å; V178-V242 HydrophobicContact CB-CG1 3.73Å; V178-V242 HydrophobicContact CG2-CG1 4.43Å; V178-V242 PolarHBondContact N-O 3.46Å; V178-V242 PolarHBondContact O-N 2.81Å; V242-I311 HydrophobicContact CG2-CG2 3.4Å; V242-I311 VanDerWaalsContact CG2-CG2 3.4Å; V242-S312 WeakPolarHBondContact CA-O 3.31Å; V242-W313 HydrophobicContact CB-CD2 4.09Å; V242-W313 HydrophobicContact CB-CE3 3.65Å; V242-W313 HydrophobicContact CB-CH2 4.33Å; V242-W313 HydrophobicContact CB-CZ3 3.77Å; V242-W313 HydrophobicContact CG1-CZ3 4.17Å; V242-W313 HydrophobicContact CG2-CD2 4Å; V242-W313 HydrophobicContact CG2-CE3 4.09Å; V242-W313 HydrophobicContact CG2-CG 4.45Å; V242-W313 HydrophobicContact CG2-CZ3 4.36Å
243V98.9Very high98.7Very high0 Ų035.8 Ų35.80%020%0.199CC..EExtended strand (participates in β ladder)trans-98.3129.3170165.60000108.4T153 C156 L157 M175 L245 I311 S312 Y314T153-V243 HydrophobicContact CG2-CG2 4.04Å; C156-V243 HydrophobicContact CB-CG2 4.11Å; L157-V243 HydrophobicContact CD1-CG1 3.98Å; M175-V243 HydrophobicContact CG-CG1 3.82Å; V243-L245 HydrophobicContact CG1-CB 4.34Å; V243-I311 WeakPolarHBondContact O-CA 3.29Å; V243-S312 PolarHBondContact N-O 3.38Å; V243-S312 PolarHBondContact O-N 2.98Å; V243-Y314 HydrophobicContact CG2-CD1 4.32Å; V243-Y314 HydrophobicContact CG2-CE1 3.8Å
244D98.9Very high98.7Very high37 Ų3734.5 Ų34.520%0.19820%0.199CC..EExtended strand (participates in β ladder)trans-105.3110.9161.9171.3-10.9000107.4M175 T176 T246 K309 I311M175-D244 CarbonylContact C-O 3.59Å; M175-D244 VanDerWaalsContact CA-O 3.3Å; M175-D244 WeakPolarHBondContact CA-O 3.34Å; T176-D244 PolarHBondContact N-O 2.93Å; T176-D244 PolarHBondContact O-N 3.13Å; D244-T246 PolarHBondContact OD1-OG1 3.02Å; D244-K309 VanDerWaalsContact OD1-CG 3.31Å; D244-K309 WeakPolarHBondContact OD1-CG 3.39Å; D244-K309 IonicContact OD1-NZ 2.66Å; D244-K309 PolarHBondContact OD1-NZ 3.05Å; D244-K309 IonicContact OD2-NZ 2.77Å; D244-K309 PolarHBondContact OD2-NZ 3.28Å; D244-I311 HydrophobicContact CB-CD1 3.89Å
245L98.9Very high98.7Very high0 Ų035 Ų350%020%0.201CC..EExtended strand (participates in β ladder)trans-104.7111.8174.1178.264.6000109.4L157 A173 M175 L228 V243 C247 K309 L310L157-L245 HydrophobicContact CD1-CB 4.17Å; L157-L245 HydrophobicContact CD1-CD1 3.84Å; L157-L245 HydrophobicContact CD1-CD2 3.83Å; L157-L245 HydrophobicContact CD1-CG 4.16Å; A173-L245 HydrophobicContact CB-CD1 3.59Å; M175-L245 HydrophobicContact CB-CD1 4.46Å; L228-L245 HydrophobicContact CD2-CD1 4.16Å; V243-L245 HydrophobicContact CG1-CB 4.34Å; L245-C247 HydrophobicContact CG-CB 4.32Å; L245-K309 CarbonylContact O-C 3.56Å; L245-K309 WeakPolarHBondContact O-CA 3.33Å; L245-L310 HydrophobicContact CB-CB 4.43Å; L245-L310 PolarHBondContact N-O 3.17Å; L245-L310 PolarHBondContact O-N 3.48Å
246T98.9Very high98.7Very high31 Ų3136.5 Ų36.519%0.1922%0.216CC..EExtended strand (participates in β ladder)trans-98.5115.9169-55.10000108.7A173 L174 D244 F307 V308 K309A173-T246 CarbonylContact C-O 3.55Å; A173-T246 VanDerWaalsContact CA-O 3.24Å; A173-T246 WeakPolarHBondContact CA-O 3.45Å; A173-T246 WeakPolarHBondContact CB-O 3.26Å; L174-T246 PolarHBondContact N-O 2.94Å; L174-T246 PolarHBondContact O-N 2.87Å; D244-T246 PolarHBondContact OD1-OG1 3.02Å; T246-F307 HydrophobicContact CG2-CE1 4Å; T246-F307 HydrophobicContact CG2-CE2 3.88Å; T246-F307 HydrophobicContact CG2-CZ 3.42Å; T246-F307 VanDerWaalsContact CG2-CZ 3.42Å; T246-V308 WeakPolarHBondContact CA-O 3.36Å; T246-K309 PolarHBondContact OG1-NZ 3.36Å
247C98.5Very high98.7Very high1 Ų138.5 Ų38.51%0.00722%0.22CC..EExtended strand (participates in β ladder)trans-134.2151-174.661.50000113.1I170 E172 A173 L245 V308I170-C247 HydrophobicContact CG2-CB 4.37Å; E172-C247 WeakPolarHBondContact O-CA 3.34Å; A173-C247 HydrophobicContact CB-CB 3.52Å; L245-C247 HydrophobicContact CG-CB 4.32Å; C247-V308 PolarHBondContact N-O 2.99Å; C247-V308 PolarHBondContact O-N 2.66Å; C247-V308 VanDerWaalsContact O-N 3.08Å; C247-V308 VanDerWaalsContact SG-CG2 3.55Å
248R98.9Very high98.7Very high88 Ų8836.2 Ų36.233%0.33221%0.206SC..EExtended strand (participates in β ladder)trans-100.5125.4169.1-166.4162.26679.66.2110.1E171 E172 N306 F307E171-R248 PolarHBondContact N-O 3.27Å; E171-R248 IonicContact OE1-NH1 3.81Å; E171-R248 PolarHBondContact OE1-NH1 3.34Å; E171-R248 IonicContact OE2-CZ 2.76Å; E171-R248 IonicContact OE2-NH1 2.84Å; E171-R248 PolarHBondContact OE2-NH1 2.89Å; E171-R248 IonicContact OE2-NH2 2.72Å; E171-R248 PolarHBondContact OE2-NH2 3.06Å; E172-R248 HydrophobicContact CG-CB 4.13Å; E172-R248 PolarHBondContact O-N 2.96Å; E172-R248 IonicContact OE1-CZ 3.3Å; E172-R248 VanDerWaalsContact OE1-CZ 3.29Å; E172-R248 IonicContact OE1-NE 2.89Å; E172-R248 PolarHBondContact OE1-NE 2.68Å; E172-R248 IonicContact OE1-NH2 3.27Å; E172-R248 PolarHBondContact OE1-NH2 2.93Å; R248-N306 CarbonylContact C-O 3.51Å; R248-N306 WeakPolarHBondContact CA-O 3.42Å; R248-F307 HydrophobicContact CB-CD2 4.12Å
249L98.9Very high98.8Very high0 Ų036.5 Ų36.50%020%0.197CC..EExtended strand (participates in β ladder)trans-93.9138.8-177.1-50.9-179.6000110.9I164 F168 G169 K251 A253 I258 N306 V308I164-L249 HydrophobicContact CG2-CD2 3.5Å; F168-L249 HydrophobicContact CB-CB 4.37Å; F168-L249 HydrophobicContact CB-CD1 4.14Å; F168-L249 HydrophobicContact CB-CD2 4.29Å; F168-L249 HydrophobicContact CG-CD1 4.49Å; G169-L249 WeakPolarHBondContact O-CA 3.38Å; L249-K251 WeakPolarHBondContact CB-O 3.31Å; L249-A253 HydrophobicContact CD1-CB 4.23Å; L249-I258 HydrophobicContact CD1-CD1 3.96Å; L249-N306 PolarHBondContact N-O 2.89Å; L249-N306 PolarHBondContact O-ND2 2.9Å; L249-V308 HydrophobicContact CD1-CG1 4.4Å; L249-V308 HydrophobicContact CD1-CG2 4.29Å; L249-V308 HydrophobicContact CD2-CG2 4.45Å; L249-V308 HydrophobicContact CG-CG2 4.37Å
250S98.5Very high98.8Very high69 Ų6940.2 Ų40.248%0.48322%0.215SC..SBendtrans-73.3-36.3176.6-52.90000112.3F168 G169 E171F168-S250 PolarHBondContact O-N 3.46Å; G169-S250 PolarHBondContact O-N 2.52Å; E171-S250 WeakPolarHBondContact CG-OG 3.29Å; E171-S250 WeakPolarHBondContact OE1-CA 3.49Å
251K98.6Very high98.8Very high132 Ų13240.6 Ų40.657%0.57422%0.218SC*.SBendtrans-106.5127174.6-179.6-175.7173-171.70108.5F168 L249F168-K251 WeakPolarHBondContact O-CB 3.47Å; F168-K251 PolarHBondContact O-N 3.34Å; L249-K251 WeakPolarHBondContact CB-O 3.31Å
252S98.5Very high98.8Very high67 Ų6740.5 Ų40.547%0.46922%0.217SC..  trans-59.6137.7176.1-52.60000110.7D305 N306S252-D305 CarbonylContact C-O 3.47Å; S252-D305 WeakPolarHBondContact CA-O 3.31Å; S252-N306 WeakPolarHBondContact CA-ND2 3.33Å; S252-N306 PolarHBondContact N-ND2 3.25Å; S252-N306 VanDerWaalsContact OG-CG 3.31Å; S252-N306 PolarHBondContact OG-ND2 2.96Å; S252-N306 VanDerWaalsContact OG-ND2 3.16Å; S252-N306 PolarHBondContact OG-OD1 3.48Å
253A98.6Very high98.8Very high2 Ų242.4 Ų42.42%0.01722%0.224CC..  trans-147.4133.6177.800000110.2F168 L249 E257 I258 D305F168-A253 HydrophobicContact CD1-CB 3.5Å; F168-A253 VanDerWaalsContact CD1-CB 3.5Å; F168-A253 HydrophobicContact CE1-CB 3.55Å; F168-A253 HydrophobicContact CG-CB 4.09Å; F168-A253 HydrophobicContact CZ-CB 4.18Å; L249-A253 HydrophobicContact CD1-CB 4.23Å; A253-E257 HydrophobicContact CB-CB 4.47Å; A253-I258 HydrophobicContact CB-CD1 4.43Å; A253-I258 HydrophobicContact CB-CG1 4.04Å; A253-D305 PolarHBondContact N-O 3.14Å; A253-D305 WeakPolarHBondContact O-CA 3.32Å
254S98.7Very high98.8Very high43 Ų4349.4 Ų49.430%0.30125%0.254SS..  trans-64.8153.6166.466.40000110.3A256 E257 I258S254-A256 PolarHBondContact O-N 2.82Å; S254-A256 VanDerWaalsContact O-N 3.17Å; S254-E257 WeakPolarHBondContact CB-OE2 3.2Å; S254-E257 PolarHBondContact N-OE2 3.5Å; S254-E257 PolarHBondContact O-N 3.25Å; S254-E257 VanDerWaalsContact OG-CG 3.3Å; S254-E257 WeakPolarHBondContact OG-CG 3.33Å; S254-E257 PolarHBondContact OG-N 2.93Å; S254-E257 PolarHBondContact OG-OE2 3.38Å; S254-I258 PolarHBondContact O-N 3.2Å; S254-I258 VanDerWaalsContact O-N 3.15Å
255Y98.8Very high98.8Very high42 Ų4248.2 Ų48.217%0.16525%0.249CC..Hα-helixtrans-59.8-30.1176.7-163.9-111.3000112.3I258 K259 A297 G300 S302 L310Y255-I258 HydrophobicContact CD2-CD1 4.5Å; Y255-I258 PolarHBondContact O-N 3.36Å; Y255-K259 HydrophobicContact CD1-CD 4.12Å; Y255-K259 HydrophobicContact CD1-CG 4.2Å; Y255-K259 HydrophobicContact CE1-CD 3.95Å; Y255-K259 HydrophobicContact CE1-CG 4.02Å; Y255-K259 WeakPolarHBondContact O-CG 3.21Å; Y255-K259 PolarHBondContact O-N 3.4Å; Y255-A297 WeakPolarHBondContact CE1-O 3.41Å; Y255-A297 PolarHBondContact OH-O 2.78Å; Y255-G300 WeakPolarHBondContact OH-CA 3.49Å; Y255-G300 PolarHBondContact OH-N 3.38Å; Y255-S302 WeakPolarHBondContact CD2-OG 2.92Å; Y255-L310 HydrophobicContact CE2-CD2 3.9Å
256A98.8Very high98.8Very high56 Ų5648.4 Ų48.446%0.46325%0.251SS..Hα-helixtrans-64.3-42.4174.200000112.5S254 I258 K259 E260S254-A256 PolarHBondContact O-N 2.82Å; S254-A256 VanDerWaalsContact O-N 3.17Å; A256-I258 VanDerWaalsContact C-N 3.32Å; A256-I258 PolarHBondContact O-N 2.78Å; A256-K259 PolarHBondContact O-N 3.47Å; A256-E260 WeakPolarHBondContact O-CG 3.26Å; A256-E260 PolarHBondContact O-N 3Å
257E98.8Very high98.7Very high104 Ų10453.2 Ų53.249%0.48627%0.271SS..Hα-helixtrans-64.8-38175.7-72.1164.2125.100111.8F168 A253 S254 E260 A261F168-E257 HydrophobicContact CE1-CB 4.45Å; F168-E257 HydrophobicContact CZ-CB 4.4Å; A253-E257 HydrophobicContact CB-CB 4.47Å; S254-E257 WeakPolarHBondContact CB-OE2 3.2Å; S254-E257 PolarHBondContact N-OE2 3.5Å; S254-E257 PolarHBondContact O-N 3.25Å; S254-E257 VanDerWaalsContact OG-CG 3.3Å; S254-E257 WeakPolarHBondContact OG-CG 3.33Å; S254-E257 PolarHBondContact OG-N 2.93Å; S254-E257 PolarHBondContact OG-OE2 3.38Å; E257-E260 PolarHBondContact O-N 3.21Å; E257-A261 WeakPolarHBondContact O-CB 3.43Å; E257-A261 PolarHBondContact O-N 2.84Å
258I98.9Very high98.7Very high0 Ų055 Ų550%029%0.289CS..Hα-helixtrans-61.3-50.4174.8-65.2170.4000110.4I164 F168 L249 A253 S254 Y255 A256 E260 A261 V262 V308 L310I164-I258 HydrophobicContact CD1-CG2 3.68Å; F168-I258 HydrophobicContact CD2-CG1 4.39Å; F168-I258 HydrophobicContact CE2-CB 4.45Å; F168-I258 HydrophobicContact CE2-CG1 3.97Å; F168-I258 HydrophobicContact CZ-CG1 4.29Å; L249-I258 HydrophobicContact CD1-CD1 3.96Å; A253-I258 HydrophobicContact CB-CD1 4.43Å; A253-I258 HydrophobicContact CB-CG1 4.04Å; S254-I258 PolarHBondContact O-N 3.2Å; S254-I258 VanDerWaalsContact O-N 3.15Å; Y255-I258 HydrophobicContact CD2-CD1 4.5Å; Y255-I258 PolarHBondContact O-N 3.36Å; A256-I258 VanDerWaalsContact C-N 3.32Å; A256-I258 PolarHBondContact O-N 2.78Å; I258-E260 VanDerWaalsContact C-N 3.32Å; I258-E260 PolarHBondContact O-N 3.05Å; I258-A261 PolarHBondContact O-N 2.88Å; I258-V262 WeakPolarHBondContact O-CG2 3.4Å; I258-V262 PolarHBondContact O-N 2.81Å; I258-V308 HydrophobicContact CD1-CB 4.34Å; I258-V308 HydrophobicContact CD1-CG1 3.8Å; I258-V308 HydrophobicContact CD1-CG2 4.17Å; I258-L310 HydrophobicContact CG2-CD1 4.44Å; I258-L310 HydrophobicContact CG2-CD2 3.88Å
259K98.9Very high98.6Very high59 Ų5956.5 Ų56.526%0.25731%0.311SS..Hα-helixtrans-55.1-47.5176.6-73.5-170.5-61.8172.80111.7Y255 A256 A261 V262 K263 Y276 F295 A297Y255-K259 HydrophobicContact CD1-CD 4.12Å; Y255-K259 HydrophobicContact CD1-CG 4.2Å; Y255-K259 HydrophobicContact CE1-CD 3.95Å; Y255-K259 HydrophobicContact CE1-CG 4.02Å; Y255-K259 WeakPolarHBondContact O-CG 3.21Å; Y255-K259 PolarHBondContact O-N 3.4Å; A256-K259 PolarHBondContact O-N 3.47Å; K259-A261 PolarHBondContact O-N 2.96Å; K259-V262 PolarHBondContact O-N 3.4Å; K259-K263 VanDerWaalsContact O-CB 3.26Å; K259-K263 WeakPolarHBondContact O-CB 3.18Å; K259-K263 PolarHBondContact O-N 3.22Å; K259-Y276 HydrophobicContact CB-CE2 4.15Å; K259-Y276 WeakPolarHBondContact O-CE2 3.37Å; K259-F295 HydrophobicContact CG-CE1 4.16Å; K259-A297 HydrophobicContact CD-CB 3.72Å; K259-A297 HydrophobicContact CG-CB 4.09Å
260E98.9Very high98.5Very high87 Ų8756.9 Ų56.941%0.40731%0.313SS..Hα-helixtrans-64.4-39.5-179.8-75.6-59.2122.700112.8A256 E257 I258 K263 K264A256-E260 WeakPolarHBondContact O-CG 3.26Å; A256-E260 PolarHBondContact O-N 3Å; E257-E260 PolarHBondContact O-N 3.21Å; I258-E260 VanDerWaalsContact C-N 3.32Å; I258-E260 PolarHBondContact O-N 3.05Å; E260-K263 PolarHBondContact O-N 3.42Å; E260-K264 WeakPolarHBondContact O-CB 3.26Å; E260-K264 WeakPolarHBondContact O-CG 3.19Å; E260-K264 PolarHBondContact O-N 3.47Å
261A98.9Very high98.5Very high10 Ų1061.4 Ų61.48%0.08332%0.324CS..Hα-helixtrans-62.3-45.2175.500000111.6V163 N167 F168 E257 I258 K259 K264 A265V163-A261 HydrophobicContact CG1-CB 4.31Å; N167-A261 HydrophobicContact CB-CB 4.43Å; F168-A261 HydrophobicContact CE2-CB 3.84Å; F168-A261 HydrophobicContact CZ-CB 3.86Å; E257-A261 WeakPolarHBondContact O-CB 3.43Å; E257-A261 PolarHBondContact O-N 2.84Å; I258-A261 PolarHBondContact O-N 2.88Å; K259-A261 PolarHBondContact O-N 2.96Å; A261-K264 PolarHBondContact O-N 3.04Å; A261-A265 PolarHBondContact O-N 3.17Å
262V98.9Very high98.5Very high0 Ų056.5 Ų56.50%031%0.31CS..Hα-helixtrans-65.9-45.3177.9179.80000111.4L160 V163 I164 I258 K259 K264 A265 A266 L274 Y276 F295L160-V262 HydrophobicContact CD1-CG1 4.47Å; L160-V262 HydrophobicContact CD1-CG2 3.97Å; V163-V262 HydrophobicContact CG1-CG2 4.16Å; I164-V262 HydrophobicContact CD1-CG2 4.06Å; I258-V262 WeakPolarHBondContact O-CG2 3.4Å; I258-V262 PolarHBondContact O-N 2.81Å; K259-V262 PolarHBondContact O-N 3.4Å; V262-K264 VanDerWaalsContact C-N 3.34Å; V262-K264 PolarHBondContact O-N 2.94Å; V262-A265 PolarHBondContact O-N 3.31Å; V262-A266 WeakPolarHBondContact O-CB 3.44Å; V262-A266 PolarHBondContact O-N 3.03Å; V262-L274 HydrophobicContact CG1-CD2 4.14Å; V262-Y276 HydrophobicContact CB-CD2 4.4Å; V262-Y276 HydrophobicContact CG1-CD2 4.13Å; V262-F295 HydrophobicContact CB-CD1 4.23Å; V262-F295 HydrophobicContact CB-CG 4.42Å; V262-F295 HydrophobicContact CG1-CB 3.55Å; V262-F295 HydrophobicContact CG1-CD1 3.79Å; V262-F295 HydrophobicContact CG1-CD2 4.38Å; V262-F295 HydrophobicContact CG1-CG 3.65Å
263K98.8Very high98.5Very high63 Ų6354.1 Ų54.127%0.27429%0.293SS..Hα-helixtrans-60-41.8177.1-167.5173.1-165.9164.60112.2K259 E260 H267 Y276 E278K259-K263 VanDerWaalsContact O-CB 3.26Å; K259-K263 WeakPolarHBondContact O-CB 3.18Å; K259-K263 PolarHBondContact O-N 3.22Å; E260-K263 PolarHBondContact O-N 3.42Å; K263-H267 PolarHBondContact O-N 3.05Å; K263-H267 PolarHBondContact O-ND1 3.37Å; K263-Y276 HydrophobicContact CB-CD1 4.22Å; K263-Y276 HydrophobicContact CB-CD2 3.79Å; K263-Y276 HydrophobicContact CB-CE1 4.31Å; K263-Y276 HydrophobicContact CB-CE2 3.89Å; K263-Y276 HydrophobicContact CB-CG 3.97Å; K263-Y276 HydrophobicContact CD-CD1 4.06Å; K263-Y276 HydrophobicContact CD-CE1 3.69Å; K263-Y276 HydrophobicContact CG-CD1 3.85Å; K263-Y276 HydrophobicContact CG-CD2 4.35Å; K263-Y276 HydrophobicContact CG-CE1 4Å; K263-Y276 HydrophobicContact CG-CE2 4.48Å; K263-Y276 HydrophobicContact CG-CG 4.05Å; K263-E278 IonicContact NZ-OE1 3.7Å; K263-E278 PolarHBondContact NZ-OE1 3.14Å
264K98.8Very high98.5Very high147 Ų14754 Ų5464%0.63929%0.292SS*.Hα-helixtrans-64.1-43.4175.1-75.5171.3-174.8176.90112E260 A261 V262 G268E260-K264 WeakPolarHBondContact O-CB 3.26Å; E260-K264 WeakPolarHBondContact O-CG 3.19Å; E260-K264 PolarHBondContact O-N 3.47Å; A261-K264 PolarHBondContact O-N 3.04Å; V262-K264 VanDerWaalsContact C-N 3.34Å; V262-K264 PolarHBondContact O-N 2.94Å; K264-G268 PolarHBondContact O-N 2.95Å
265A98.7Very high98.5Very high11 Ų1152.4 Ų52.49%0.09128%0.282CS..Hα-helixtrans-64.5-45.5177.200000111.8V163 A261 V262 H267 G268 M270 L274V163-A265 HydrophobicContact CB-CB 4.39Å; V163-A265 HydrophobicContact CG1-CB 4.04Å; V163-A265 HydrophobicContact CG2-CB 3.38Å; A261-A265 PolarHBondContact O-N 3.17Å; V262-A265 PolarHBondContact O-N 3.31Å; A265-H267 VanDerWaalsContact C-N 3.33Å; A265-H267 PolarHBondContact O-N 3.12Å; A265-G268 CarbonylContact O-C 3.57Å; A265-G268 PolarHBondContact O-N 2.85Å; A265-G268 VanDerWaalsContact O-N 3.16Å; A265-M270 HydrophobicContact CB-SD 4.38Å; A265-M270 WeakPolarHBondContact O-CB 3.48Å; A265-M270 PolarHBondContact O-N 3.42Å; A265-L274 HydrophobicContact CB-CD2 4.19Å
266A98.6Very high98.5Very high5 Ų552 Ų524%0.04128%0.28CS..Hα-helixtrans-60.7-37.7178.500000113V262 K271 L274V262-A266 WeakPolarHBondContact O-CB 3.44Å; V262-A266 PolarHBondContact O-N 3.03Å; A266-K271 WeakPolarHBondContact O-CA 2.96Å; A266-L274 VanDerWaalsContact CA-O 3.25Å; A266-L274 WeakPolarHBondContact CA-O 3.11Å; A266-L274 HydrophobicContact CB-CG 4.29Å; A266-L274 WeakPolarHBondContact CB-O 3.26Å
267H98.4Very high98.5Very high131 Ų13150.2 Ų50.261%0.60626%0.264SS*.Hα-helixtrans-88.5-6.1177-64142.5000114.5K263 A265K263-H267 PolarHBondContact O-N 3.05Å; K263-H267 PolarHBondContact O-ND1 3.37Å; A265-H267 VanDerWaalsContact C-N 3.33Å; A265-H267 PolarHBondContact O-N 3.12Å
268G98Very high98.5Very high38 Ų3850 Ų5039%0.39226%0.263SS..THydrogen-bonded Turntrans-120.4-114.1-17700000112K264 A265 M270 K271K264-G268 PolarHBondContact O-N 2.95Å; A265-G268 CarbonylContact O-C 3.57Å; A265-G268 PolarHBondContact O-N 2.85Å; A265-G268 VanDerWaalsContact O-N 3.16Å; G268-M270 PolarHBondContact O-N 3.15Å; G268-M270 VanDerWaalsContact O-N 3.16Å; G268-K271 WeakPolarHBondContact O-CB 3.34Å; G268-K271 PolarHBondContact O-N 3.23Å
269P96.8Very high98.5Very high120 Ų12055.5 Ų55.578%0.77929%0.292SS*.THydrogen-bonded Turntrans-64.7-20.8-169.626.6-36.1000114.7
270M97.7Very high98.5Very high8 Ų861.1 Ų61.14%0.03932%0.319CS..THydrogen-bonded Turntrans-108.117-179.7-62.4-173.5174.300113.2P159 K162 V163 A265 G268 G272 V273 L274P159-M270 HydrophobicContact CB-SD 3.98Å; K162-M270 HydrophobicContact CB-CE 4.01Å; K162-M270 HydrophobicContact CD-CE 3.64Å; K162-M270 HydrophobicContact CG-CE 3.79Å; V163-M270 HydrophobicContact CG2-CE 3.74Å; V163-M270 HydrophobicContact CG2-SD 3.53Å; V163-M270 VanDerWaalsContact CG2-SD 3.53Å; A265-M270 HydrophobicContact CB-SD 4.38Å; A265-M270 WeakPolarHBondContact O-CB 3.48Å; A265-M270 PolarHBondContact O-N 3.42Å; G268-M270 PolarHBondContact O-N 3.15Å; G268-M270 VanDerWaalsContact O-N 3.16Å; M270-G272 PolarHBondContact O-N 3.39Å; M270-V273 WeakPolarHBondContact O-CA 3.39Å; M270-V273 WeakPolarHBondContact O-CB 3.29Å; M270-V273 PolarHBondContact O-N 2.85Å; M270-L274 HydrophobicContact CB-CB 3.74Å; M270-L274 PolarHBondContact O-N 2.9Å; M270-L274 HydrophobicContact SD-CB 4.17Å; M270-L274 HydrophobicContact SD-CD2 3.75Å
271K98.2Very high98.5Very high165 Ų16558.2 Ų58.272%0.71731%0.308SS*.THydrogen-bonded Turntrans-56.5127.7179.6-174.9177.5179.6178.40111.6A266 G268 V273A266-K271 WeakPolarHBondContact O-CA 2.96Å; G268-K271 WeakPolarHBondContact O-CB 3.34Å; G268-K271 PolarHBondContact O-N 3.23Å; K271-V273 VanDerWaalsContact C-N 3.26Å; K271-V273 PolarHBondContact O-N 3.25Å
272G97.4Very high98.5Very high28 Ų2861.5 Ų61.529%0.28933%0.327SS..THydrogen-bonded Turntrans82.9-7.1-176.200000114.8M270M270-G272 PolarHBondContact O-N 3.39Å
273V98.6Very high98.5Very high17 Ų1763.3 Ų63.310%0.10334%0.339CS..THydrogen-bonded Turntrans-106.6-51.7171.5175.80000110.3M132 P159 M270 K271 S292 S293M132-V273 WeakPolarHBondContact O-CG1 3.44Å; P159-V273 HydrophobicContact CB-CG1 4.23Å; P159-V273 HydrophobicContact CG-CG1 3.81Å; M270-V273 WeakPolarHBondContact O-CA 3.39Å; M270-V273 WeakPolarHBondContact O-CB 3.29Å; M270-V273 PolarHBondContact O-N 2.85Å; K271-V273 VanDerWaalsContact C-N 3.26Å; K271-V273 PolarHBondContact O-N 3.25Å; V273-S292 WeakPolarHBondContact O-CB 3.31Å; V273-S292 PolarHBondContact O-N 3.48Å; V273-S293 PolarHBondContact O-N 3.39Å
274L98.9Very high98.5Very high1 Ų163.5 Ų63.51%0.00535%0.349CS..EExtended strand (participates in β ladder)trans-109.1121.4177.9-17962.2000109.4P159 V163 V262 A265 A266 M270 S293P159-L274 HydrophobicContact CB-CB 4.47Å; V163-L274 HydrophobicContact CG2-CD2 3.85Å; V262-L274 HydrophobicContact CG1-CD2 4.14Å; A265-L274 HydrophobicContact CB-CD2 4.19Å; A266-L274 VanDerWaalsContact CA-O 3.25Å; A266-L274 WeakPolarHBondContact CA-O 3.11Å; A266-L274 HydrophobicContact CB-CG 4.29Å; A266-L274 WeakPolarHBondContact CB-O 3.26Å; M270-L274 HydrophobicContact CB-CB 3.74Å; M270-L274 PolarHBondContact O-N 2.9Å; M270-L274 HydrophobicContact SD-CB 4.17Å; M270-L274 HydrophobicContact SD-CD2 3.75Å; L274-S293 CarbonylContact C-O 3.59Å; L274-S293 VanDerWaalsContact CA-O 3.3Å; L274-S293 WeakPolarHBondContact CA-O 3.35Å
275G98.8Very high98.5Very high8 Ų861 Ų618%0.08234%0.342CS..EExtended strand (participates in β ladder)trans-97.7166.2169.800000111.9S293 F295G275-S293 PolarHBondContact N-O 3.48Å; G275-F295 PolarHBondContact O-N 2.84Å
276Y98.9Very high98.5Very high33 Ų3361 Ų6113%0.12934%0.34CS..EExtended strand (participates in β ladder)trans-141.4133.6177.4175.5-83.8000108.8K259 V262 K263 E278 F295 A297K259-Y276 HydrophobicContact CB-CE2 4.15Å; K259-Y276 WeakPolarHBondContact O-CE2 3.37Å; V262-Y276 HydrophobicContact CB-CD2 4.4Å; V262-Y276 HydrophobicContact CG1-CD2 4.13Å; K263-Y276 HydrophobicContact CB-CD1 4.22Å; K263-Y276 HydrophobicContact CB-CD2 3.79Å; K263-Y276 HydrophobicContact CB-CE1 4.31Å; K263-Y276 HydrophobicContact CB-CE2 3.89Å; K263-Y276 HydrophobicContact CB-CG 3.97Å; K263-Y276 HydrophobicContact CD-CD1 4.06Å; K263-Y276 HydrophobicContact CD-CE1 3.69Å; K263-Y276 HydrophobicContact CG-CD1 3.85Å; K263-Y276 HydrophobicContact CG-CD2 4.35Å; K263-Y276 HydrophobicContact CG-CE1 4Å; K263-Y276 HydrophobicContact CG-CE2 4.48Å; K263-Y276 HydrophobicContact CG-CG 4.05Å; Y276-E278 HydrophobicContact CE1-CG 3.69Å; Y276-E278 WeakPolarHBondContact CE1-OE1 3.42Å; Y276-E278 VanDerWaalsContact CZ-OE1 3.31Å; Y276-E278 WeakPolarHBondContact OH-CG 3.45Å; Y276-E278 PolarHBondContact OH-OE1 2.88Å; Y276-F295 AromaticContact CD2-CD1 3.65Å; Y276-F295 HydrophobicContact CD2-CD1 3.65Å; Y276-F295 HydrophobicContact CD2-CE1 4.32Å; Y276-F295 AromaticContact CE2-CD1 3.77Å; Y276-F295 HydrophobicContact CE2-CD1 3.77Å; Y276-F295 AromaticContact CE2-CE1 3.98Å; Y276-F295 HydrophobicContact CE2-CE1 3.98Å; Y276-A297 HydrophobicContact CE2-CB 3.94Å
277T98.9Very high98.5Very high20 Ų2064.5 Ų64.512%0.12336%0.357CS..EExtended strand (participates in β ladder)trans-139.8148.1174.4-1720000112D279 V281 I294 F295 A297T277-D279 WeakPolarHBondContact OG1-CB 3.34Å; T277-D279 PolarHBondContact OG1-N 3.19Å; T277-D279 VanDerWaalsContact OG1-N 3.11Å; T277-V281 HydrophobicContact CG2-CG1 4.46Å; T277-V281 HydrophobicContact CG2-CG2 4.07Å; T277-I294 HydrophobicContact CG2-CG2 4.22Å; T277-F295 PolarHBondContact N-O 2.89Å; T277-A297 WeakPolarHBondContact O-CB 3.45Å; T277-A297 PolarHBondContact O-N 2.86Å
278E98.8Very high98.5Very high98 Ų9859.5 Ų59.546%0.45834%0.341SS..  trans-113.8-0.4168.9-73.8168.2-150.500111.4K263 Y276 A297K263-E278 IonicContact NZ-OE1 3.7Å; K263-E278 PolarHBondContact NZ-OE1 3.14Å; Y276-E278 HydrophobicContact CE1-CG 3.69Å; Y276-E278 WeakPolarHBondContact CE1-OE1 3.42Å; Y276-E278 VanDerWaalsContact CZ-OE1 3.31Å; Y276-E278 WeakPolarHBondContact OH-CG 3.45Å; Y276-E278 PolarHBondContact OH-OE1 2.88Å; E278-A297 HydrophobicContact CG-CB 3.79Å
279D98.8Very high98.5Very high116 Ų11659.8 Ų59.862%0.6233%0.334SS*.SBendtrans-70.9157-179.5-64.9-17.5000110.8T277 V281T277-D279 WeakPolarHBondContact OG1-CB 3.34Å; T277-D279 PolarHBondContact OG1-N 3.19Å; T277-D279 VanDerWaalsContact OG1-N 3.11Å; D279-V281 VanDerWaalsContact C-N 3.25Å; D279-V281 HydrophobicContact CB-CG1 3.84Å; D279-V281 PolarHBondContact O-N 2.99Å
280Q98.6Very high98.6Very high177 Ų17756.7 Ų56.783%0.82731%0.313SS*.  trans-82.771.8177-64.2-63-67.300110.6
281V98.8Very high98.7Very high27 Ų2758.6 Ų58.616%0.16432%0.321CS..  trans-88159.1-173.4-64.90000113.5T277 D279 D285 F286 D296T277-V281 HydrophobicContact CG2-CG1 4.46Å; T277-V281 HydrophobicContact CG2-CG2 4.07Å; D279-V281 VanDerWaalsContact C-N 3.25Å; D279-V281 HydrophobicContact CB-CG1 3.84Å; D279-V281 PolarHBondContact O-N 2.99Å; V281-D285 WeakPolarHBondContact CA-OD2 3.46Å; V281-F286 HydrophobicContact CB-CE2 3.96Å; V281-F286 HydrophobicContact CB-CZ 3.8Å; V281-F286 HydrophobicContact CG1-CZ 4.2Å; V281-F286 HydrophobicContact CG2-CE2 3.86Å; V281-F286 HydrophobicContact CG2-CZ 3.57Å; V281-D296 WeakPolarHBondContact CG2-OD2 3.19Å
282V98.9Very high98.7Very high79 Ų7950.9 Ų50.948%0.47929%0.289SS..  trans-133.7174.5170.9-63.90000110.7S284 D285 F286V282-S284 VanDerWaalsContact C-N 3.28Å; V282-S284 PolarHBondContact O-N 3.41Å; V282-S284 VanDerWaalsContact O-N 3.15Å; V282-D285 PolarHBondContact N-OD2 2.87Å; V282-D285 WeakPolarHBondContact O-CB 3.27Å; V282-D285 PolarHBondContact O-N 2.97Å; V282-F286 WeakPolarHBondContact O-CD2 3.21Å; V282-F286 WeakPolarHBondContact O-CE2 3.39Å
283S98.8Very high98.8Very high37 Ų3749.6 Ų49.626%0.25928%0.275SS..G310 helixtrans-54.9-38.8-172.961.40000114.3V240 D285 F286V240-S283 WeakPolarHBondContact CB-O 3.37Å; V240-S283 VanDerWaalsContact CG1-O 3.31Å; V240-S283 WeakPolarHBondContact CG1-O 3.37Å; V240-S283 WeakPolarHBondContact CG2-O 3.17Å; S283-D285 PolarHBondContact O-N 2.83Å; S283-F286 PolarHBondContact O-N 3.4Å
284S98.8Very high98.8Very high68 Ų6849.2 Ų49.248%0.47627%0.272SS..G310 helixtrans-65-23-177.949.80000114V282 F286 I287V282-S284 VanDerWaalsContact C-N 3.28Å; V282-S284 PolarHBondContact O-N 3.41Å; V282-S284 VanDerWaalsContact O-N 3.15Å; S284-F286 PolarHBondContact O-N 2.91Å; S284-I287 PolarHBondContact O-N 2.9Å
285D98.8Very high98.8Very high94 Ų9449.1 Ų49.150%0.50327%0.272SS..G310 helixtrans-71.6-13.3-177.7-55.6-32000112.2V281 V282 S283V281-D285 WeakPolarHBondContact CA-OD2 3.46Å; V282-D285 PolarHBondContact N-OD2 2.87Å; V282-D285 WeakPolarHBondContact O-CB 3.27Å; V282-D285 PolarHBondContact O-N 2.97Å; S283-D285 PolarHBondContact O-N 2.83Å
286F98.9Very high98.8Very high12 Ų1249.1 Ų49.15%0.05327%0.27CS..G310 helixtrans-105.53.9-179.8-54.6-72.2000113.8V240 V281 V282 S283 S284 G288 D289 I294 W313V240-F286 HydrophobicContact CG1-CB 4.02Å; V240-F286 HydrophobicContact CG1-CD2 4.36Å; V240-F286 HydrophobicContact CG2-CB 4.12Å; V281-F286 HydrophobicContact CB-CE2 3.96Å; V281-F286 HydrophobicContact CB-CZ 3.8Å; V281-F286 HydrophobicContact CG1-CZ 4.2Å; V281-F286 HydrophobicContact CG2-CE2 3.86Å; V281-F286 HydrophobicContact CG2-CZ 3.57Å; V282-F286 WeakPolarHBondContact O-CD2 3.21Å; V282-F286 WeakPolarHBondContact O-CE2 3.39Å; S283-F286 PolarHBondContact O-N 3.4Å; S284-F286 PolarHBondContact O-N 2.91Å; F286-G288 PolarHBondContact O-N 3.04Å; F286-D289 HydrophobicContact CB-CB 4.31Å; F286-D289 VanDerWaalsContact O-CB 3.24Å; F286-D289 WeakPolarHBondContact O-CB 3.5Å; F286-D289 PolarHBondContact O-N 3.04Å; F286-I294 HydrophobicContact CD1-CB 4.46Å; F286-I294 HydrophobicContact CD1-CD1 4.21Å; F286-I294 HydrophobicContact CD1-CG1 4.27Å; F286-I294 HydrophobicContact CE1-CB 4.07Å; F286-I294 HydrophobicContact CE1-CG1 4.3Å; F286-I294 HydrophobicContact CE1-CG2 3.84Å; F286-W313 HydrophobicContact CD1-CB 4.33Å; F286-W313 HydrophobicContact CD2-CB 3.71Å; F286-W313 AromaticContact CD2-CD2 3.84Å; F286-W313 HydrophobicContact CD2-CD2 3.84Å; F286-W313 HydrophobicContact CD2-CE3 4.11Å; F286-W313 AromaticContact CD2-CG 3.68Å; F286-W313 HydrophobicContact CD2-CG 3.68Å; F286-W313 HydrophobicContact CE1-CB 4.26Å; F286-W313 HydrophobicContact CE1-CG 4.48Å; F286-W313 HydrophobicContact CE2-CB 3.62Å; F286-W313 AromaticContact CE2-CD1 3.36Å; F286-W313 AromaticContact CE2-CD2 3.48Å; F286-W313 HydrophobicContact CE2-CD2 3.48Å; F286-W313 VanDerWaalsContact CE2-CD2 3.48Å; F286-W313 AromaticContact CE2-CE2 3.82Å; F286-W313 HydrophobicContact CE2-CE3 4.18Å; F286-W313 AromaticContact CE2-CG 3.19Å; F286-W313 HydrophobicContact CE2-CG 3.19Å; F286-W313 AromaticContact CE2-NE1 3.72Å; F286-W313 HydrophobicContact CG-CB 4.05Å; F286-W313 HydrophobicContact CG-CG 4.47Å; F286-W313 HydrophobicContact CZ-CB 3.88Å; F286-W313 AromaticContact CZ-CD1 3.47Å; F286-W313 VanDerWaalsContact CZ-CD1 3.47Å; F286-W313 HydrophobicContact CZ-CD2 4.36Å; F286-W313 AromaticContact CZ-CG 3.65Å; F286-W313 HydrophobicContact CZ-CG 3.65Å
287I98.8Very high98.8Very high77 Ų7748 Ų4840%0.39527%0.267SS..THydrogen-bonded Turntrans-63.6121.8177.5-66.8170.8000109.2T51 V240 S284 D289T51-I287 HydrophobicContact CG2-CG2 4.2Å; V240-I287 HydrophobicContact CG2-CG1 3.8Å; S284-I287 PolarHBondContact O-N 2.9Å; I287-D289 VanDerWaalsContact C-N 3.28Å
288G98.4Very high98.8Very high27 Ų2749.4 Ų49.428%0.27829%0.286SS..THydrogen-bonded Turntrans80.65.5-176.100000114F286 D315 Y318F286-G288 PolarHBondContact O-N 3.04Å; G288-D315 PolarHBondContact N-OD2 2.91Å; G288-Y318 WeakPolarHBondContact O-CD1 3.3Å; G288-Y318 WeakPolarHBondContact O-CE1 3.47Å
289D98.8Very high98.8Very high44 Ų4447.1 Ų47.124%0.23528%0.283CS..  trans-67.1139.6172.9-165.5-67.5000110.1F286 I287 H291 G319F286-D289 HydrophobicContact CB-CB 4.31Å; F286-D289 VanDerWaalsContact O-CB 3.24Å; F286-D289 WeakPolarHBondContact O-CB 3.5Å; F286-D289 PolarHBondContact O-N 3.04Å; I287-D289 VanDerWaalsContact C-N 3.28Å; D289-H291 VanDerWaalsContact OD1-CB 3.29Å; D289-H291 WeakPolarHBondContact OD1-CB 3.24Å; D289-H291 IonicContact OD1-CE1 3.26Å; D289-H291 IonicContact OD1-CG 3.78Å; D289-H291 PolarHBondContact OD1-N 3.48Å; D289-H291 IonicContact OD1-ND1 3.34Å; D289-H291 PolarHBondContact OD1-ND1 2.92Å; D289-H291 IonicContact OD2-ND1 3.61Å; D289-G319 PolarHBondContact O-N 2.94Å
290T98.8Very high98.8Very high55 Ų5542.2 Ų42.234%0.33726%0.26SS..  trans-96.8-6.4-173.264.50000113.7Y318 R323T290-Y318 HydrophobicContact CG2-CD1 3.96Å; T290-Y318 HydrophobicContact CG2-CE1 3.84Å; T290-R323 PolarHBondContact O-NH1 2.91Å; T290-R323 PolarHBondContact O-NH2 3.27Å; T290-R323 VanDerWaalsContact O-NH2 3.1Å
291H98.9Very high98.8Very high47 Ų4739.1 Ų39.122%0.21825%0.248CC..  trans-70.6154.7176.8-63.789.1000110.9D289 I294 G319D289-H291 VanDerWaalsContact OD1-CB 3.29Å; D289-H291 WeakPolarHBondContact OD1-CB 3.24Å; D289-H291 IonicContact OD1-CE1 3.26Å; D289-H291 IonicContact OD1-CG 3.78Å; D289-H291 PolarHBondContact OD1-N 3.48Å; D289-H291 IonicContact OD1-ND1 3.34Å; D289-H291 PolarHBondContact OD1-ND1 2.92Å; D289-H291 IonicContact OD2-ND1 3.61Å; H291-I294 HydrophobicContact CB-CD1 3.78Å; H291-I294 HydrophobicContact CB-CG1 3.84Å; H291-G319 WeakPolarHBondContact O-CA 3.24Å
292S98.9Very high98.8Very high4 Ų439.5 Ų39.53%0.02825%0.252CS..SBendtrans-79-31.4172-58.10000112.1N155 C156 V273 Y314 R323N155-S292 VanDerWaalsContact O-CB 3.27Å; N155-S292 WeakPolarHBondContact O-CB 3.38Å; C156-S292 WeakPolarHBondContact CA-O 3.34Å; C156-S292 VanDerWaalsContact CB-O 3.29Å; C156-S292 WeakPolarHBondContact CB-O 3.21Å; V273-S292 WeakPolarHBondContact O-CB 3.31Å; V273-S292 PolarHBondContact O-N 3.48Å; S292-Y314 VanDerWaalsContact O-CB 3.27Å; S292-Y314 WeakPolarHBondContact O-CB 3.31Å; S292-R323 WeakPolarHBondContact OG-CD 3.46Å; S292-R323 WeakPolarHBondContact OG-CG 3.34Å; S292-R323 PolarHBondContact OG-NH1 3.43Å
293S98.9Very high98.8Very high0 Ų042.2 Ų42.20%026%0.263CS..EExtended strand (participates in β ladder)trans-151129.6-170.2-162.70000107.9C156 V273 L274 G275 S312 W313C156-S293 VanDerWaalsContact O-CB 3.23Å; C156-S293 WeakPolarHBondContact O-CB 3.3Å; C156-S293 PolarHBondContact O-OG 2.87Å; V273-S293 PolarHBondContact O-N 3.39Å; L274-S293 CarbonylContact C-O 3.59Å; L274-S293 VanDerWaalsContact CA-O 3.3Å; L274-S293 WeakPolarHBondContact CA-O 3.35Å; G275-S293 PolarHBondContact N-O 3.48Å; S293-S312 PolarHBondContact OG-OG 3.15Å; S293-W313 CarbonylContact C-O 3.48Å; S293-W313 WeakPolarHBondContact CA-O 3.13Å
294I98.9Very high98.8Very high9 Ų944.3 Ų44.35%0.04627%0.272CS..EExtended strand (participates in β ladder)trans-124.7105173.5-52.686.1000108.1T277 F286 H291 D296 S312 W313T277-I294 HydrophobicContact CG2-CG2 4.22Å; F286-I294 HydrophobicContact CD1-CB 4.46Å; F286-I294 HydrophobicContact CD1-CD1 4.21Å; F286-I294 HydrophobicContact CD1-CG1 4.27Å; F286-I294 HydrophobicContact CE1-CB 4.07Å; F286-I294 HydrophobicContact CE1-CG1 4.3Å; F286-I294 HydrophobicContact CE1-CG2 3.84Å; H291-I294 HydrophobicContact CB-CD1 3.78Å; H291-I294 HydrophobicContact CB-CG1 3.84Å; I294-D296 PolarHBondContact O-N 2.75Å; I294-S312 PolarHBondContact N-OG 3.4Å; I294-S312 CarbonylContact O-C 3.5Å; I294-S312 VanDerWaalsContact O-CA 3.3Å; I294-S312 WeakPolarHBondContact O-CA 3.33Å; I294-S312 PolarHBondContact O-OG 3.49Å; I294-W313 HydrophobicContact CB-CB 4.38Å; I294-W313 WeakPolarHBondContact CD1-O 3.19Å; I294-W313 PolarHBondContact N-O 3.02Å; I294-W313 PolarHBondContact O-N 2.67Å
295F98.9Very high98.7Very high0 Ų045.4 Ų45.40%027%0.272CS..EExtended strand (participates in β ladder)trans-69.6126.4-178.5176.7-102.2000111.1L160 K259 V262 G275 Y276 T277 A297 L310 I311L160-F295 HydrophobicContact CD1-CD2 3.92Å; L160-F295 HydrophobicContact CD1-CE2 4.49Å; L160-F295 HydrophobicContact CD2-CD2 4.47Å; K259-F295 HydrophobicContact CG-CE1 4.16Å; V262-F295 HydrophobicContact CB-CD1 4.23Å; V262-F295 HydrophobicContact CB-CG 4.42Å; V262-F295 HydrophobicContact CG1-CB 3.55Å; V262-F295 HydrophobicContact CG1-CD1 3.79Å; V262-F295 HydrophobicContact CG1-CD2 4.38Å; V262-F295 HydrophobicContact CG1-CG 3.65Å; G275-F295 PolarHBondContact O-N 2.84Å; Y276-F295 AromaticContact CD2-CD1 3.65Å; Y276-F295 HydrophobicContact CD2-CD1 3.65Å; Y276-F295 HydrophobicContact CD2-CE1 4.32Å; Y276-F295 AromaticContact CE2-CD1 3.77Å; Y276-F295 HydrophobicContact CE2-CD1 3.77Å; Y276-F295 AromaticContact CE2-CE1 3.98Å; Y276-F295 HydrophobicContact CE2-CE1 3.98Å; T277-F295 PolarHBondContact N-O 2.89Å; F295-A297 HydrophobicContact CD1-CB 4.23Å; F295-A297 HydrophobicContact CE1-CB 3.81Å; F295-L310 HydrophobicContact CE2-CB 4.07Å; F295-L310 HydrophobicContact CE2-CD2 4.06Å; F295-L310 HydrophobicContact CZ-CD2 4.38Å; F295-I311 VanDerWaalsContact CD2-O 3.31Å; F295-I311 WeakPolarHBondContact CD2-O 3.32Å
296D98.9Very high98.7Very high8 Ų843.3 Ų43.34%0.04326%0.261CS..EExtended strand (participates in β ladder)trans-97.2102177.2-171.6-32.7000109.3V281 I294 G298 A299 I311 W313V281-D296 WeakPolarHBondContact CG2-OD2 3.19Å; I294-D296 PolarHBondContact O-N 2.75Å; D296-G298 PolarHBondContact O-N 3.32Å; D296-G298 PolarHBondContact OD1-N 3.06Å; D296-A299 HydrophobicContact CB-CB 4Å; D296-A299 WeakPolarHBondContact OD1-CB 3.46Å; D296-A299 PolarHBondContact OD1-N 2.89Å; D296-I311 HydrophobicContact CB-CB 4.29Å; D296-I311 HydrophobicContact CB-CG2 4.17Å; D296-I311 PolarHBondContact N-O 3.3Å; D296-W313 PolarHBondContact OD2-NE1 3.25Å
297A98.8Very high98.7Very high9 Ų946.6 Ų46.67%0.07428%0.275CS..EExtended strand (participates in β ladder)trans-72.4-18.6-177.100000113.3Y255 K259 Y276 T277 E278 F295Y255-A297 WeakPolarHBondContact CE1-O 3.41Å; Y255-A297 PolarHBondContact OH-O 2.78Å; K259-A297 HydrophobicContact CD-CB 3.72Å; K259-A297 HydrophobicContact CG-CB 4.09Å; Y276-A297 HydrophobicContact CE2-CB 3.94Å; T277-A297 WeakPolarHBondContact O-CB 3.45Å; T277-A297 PolarHBondContact O-N 2.86Å; E278-A297 HydrophobicContact CG-CB 3.79Å; F295-A297 HydrophobicContact CD1-CB 4.23Å; F295-A297 HydrophobicContact CE1-CB 3.81Å
298G98.5Very high98.7Very high49 Ų4943 Ų4351%0.50526%0.257SS..EExtended strand (participates in β ladder)trans-89.6-28.1179.400000113.1D296D296-G298 PolarHBondContact O-N 3.32Å; D296-G298 PolarHBondContact OD1-N 3.06Å
299A98.8Very high98.8Very high50 Ų5044.7 Ų44.741%0.41326%0.257SS..EExtended strand (participates in β ladder)trans-87.9-18.6-174.700000114.8D296 I311D296-A299 HydrophobicContact CB-CB 4Å; D296-A299 WeakPolarHBondContact OD1-CB 3.46Å; D296-A299 PolarHBondContact OD1-N 2.89Å; A299-I311 HydrophobicContact CB-CB 3.96Å; A299-I311 HydrophobicContact CB-CG1 3.89Å; A299-I311 HydrophobicContact CB-CG2 4.02Å; A299-I311 WeakPolarHBondContact O-CG1 3.21Å
300G98.7Very high98.8Very high13 Ų1342.6 Ų42.613%0.13425%0.246CC..EExtended strand (participates in β ladder)trans-80.3169176.600000113.7Y255 K309Y255-G300 WeakPolarHBondContact OH-CA 3.49Å; Y255-G300 PolarHBondContact OH-N 3.38Å; G300-K309 CarbonylContact C-O 3.56Å; G300-K309 VanDerWaalsContact CA-O 3.24Å; G300-K309 WeakPolarHBondContact CA-O 3.46Å
301I98.8Very high98.8Very high112 Ų11241 Ų4157%0.57424%0.235SC*.EExtended strand (participates in β ladder)trans-154.1140.5-178.8-170.8166.7000111.3K309I301-K309 HydrophobicContact CG2-CB 3.98Å; I301-K309 HydrophobicContact CG2-CD 4.33Å; I301-K309 PolarHBondContact N-O 3.36Å; I301-K309 PolarHBondContact O-N 3.35Å
302S98.5Very high98.8Very high35 Ų3538.8 Ų38.825%0.24522%0.224CC..EExtended strand (participates in β ladder)trans-99.6131.4170.5-66.30000110.3Y255 V308Y255-S302 WeakPolarHBondContact CD2-OG 2.92Å; S302-V308 WeakPolarHBondContact OG-CG1 3.44Å
303L98.6Very high98.8Very high136 Ų13640.4 Ų40.471%0.71223%0.23SC*.EExtended strand (participates in β ladder)trans-78.3-40.8168.1179.263.2000110.6F307L303-F307 HydrophobicContact CB-CD1 4.07Å; L303-F307 HydrophobicContact CD2-CD1 3.79Å; L303-F307 HydrophobicContact CD2-CE1 4.39Å; L303-F307 PolarHBondContact N-O 3.12Å
304N98.6Very high98.8Very high81 Ų8140.5 Ų40.543%0.43323%0.23SC..EExtended strand (participates in β ladder)trans-155.6-179.6172.759.556.8000108.4N306 F307N304-N306 PolarHBondContact O-N 3.34Å; N304-N306 WeakPolarHBondContact OD1-CA 3.49Å; N304-N306 PolarHBondContact OD1-N 2.84Å; N304-F307 PolarHBondContact O-N 3.38Å; N304-F307 PolarHBondContact OD1-N 2.8Å
305D98.6Very high98.8Very high92 Ų9240.1 Ų40.149%0.49223%0.228SC..THydrogen-bonded Turntrans-66.3-9.5-174.6-60-20.5000114.4S252 A253S252-D305 CarbonylContact C-O 3.47Å; S252-D305 WeakPolarHBondContact CA-O 3.31Å; A253-D305 PolarHBondContact N-O 3.14Å; A253-D305 WeakPolarHBondContact O-CA 3.32Å
306N98.6Very high98.8Very high49 Ų4940.5 Ų40.526%0.26223%0.231SC..THydrogen-bonded Turntrans-117.7-6.6179.3-67.694.2000113.6R248 L249 S252 N304R248-N306 CarbonylContact C-O 3.51Å; R248-N306 WeakPolarHBondContact CA-O 3.42Å; L249-N306 PolarHBondContact N-O 2.89Å; L249-N306 PolarHBondContact O-ND2 2.9Å; S252-N306 WeakPolarHBondContact CA-ND2 3.33Å; S252-N306 PolarHBondContact N-ND2 3.25Å; S252-N306 VanDerWaalsContact OG-CG 3.31Å; S252-N306 PolarHBondContact OG-ND2 2.96Å; S252-N306 VanDerWaalsContact OG-ND2 3.16Å; S252-N306 PolarHBondContact OG-OD1 3.48Å; N304-N306 PolarHBondContact O-N 3.34Å; N304-N306 WeakPolarHBondContact OD1-CA 3.49Å; N304-N306 PolarHBondContact OD1-N 2.84Å
307F98.9Very high98.8Very high82 Ų8240.9 Ų40.936%0.3623%0.232SC..EExtended strand (participates in β ladder)trans-134.6110.4-176.4-166.5-112.6000111T246 R248 L303 N304T246-F307 HydrophobicContact CG2-CE1 4Å; T246-F307 HydrophobicContact CG2-CE2 3.88Å; T246-F307 HydrophobicContact CG2-CZ 3.42Å; T246-F307 VanDerWaalsContact CG2-CZ 3.42Å; R248-F307 HydrophobicContact CB-CD2 4.12Å; L303-F307 HydrophobicContact CB-CD1 4.07Å; L303-F307 HydrophobicContact CD2-CD1 3.79Å; L303-F307 HydrophobicContact CD2-CE1 4.39Å; L303-F307 PolarHBondContact N-O 3.12Å; N304-F307 PolarHBondContact O-N 3.38Å; N304-F307 PolarHBondContact OD1-N 2.8Å
308V98.9Very high98.8Very high2 Ų241.7 Ų41.71%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-134.7152.7-166-54.80000111.8T246 C247 L249 I258 S302 L310T246-V308 WeakPolarHBondContact CA-O 3.36Å; C247-V308 PolarHBondContact N-O 2.99Å; C247-V308 PolarHBondContact O-N 2.66Å; C247-V308 VanDerWaalsContact O-N 3.08Å; C247-V308 VanDerWaalsContact SG-CG2 3.55Å; L249-V308 HydrophobicContact CD1-CG1 4.4Å; L249-V308 HydrophobicContact CD1-CG2 4.29Å; L249-V308 HydrophobicContact CD2-CG2 4.45Å; L249-V308 HydrophobicContact CG-CG2 4.37Å; I258-V308 HydrophobicContact CD1-CB 4.34Å; I258-V308 HydrophobicContact CD1-CG1 3.8Å; I258-V308 HydrophobicContact CD1-CG2 4.17Å; S302-V308 WeakPolarHBondContact OG-CG1 3.44Å; V308-L310 HydrophobicContact CB-CD2 4.38Å; V308-L310 HydrophobicContact CG2-CD1 4.29Å; V308-L310 HydrophobicContact CG2-CD2 4.04Å; V308-L310 HydrophobicContact CG2-CG 4.01Å
309K98.9Very high98.8Very high62 Ų6239.3 Ų39.327%0.2721%0.209SC..EExtended strand (participates in β ladder)trans-114.6122.3170.8176.8176.1-64.2-690109D244 L245 T246 G300 I301 I311D244-K309 VanDerWaalsContact OD1-CG 3.31Å; D244-K309 WeakPolarHBondContact OD1-CG 3.39Å; D244-K309 IonicContact OD1-NZ 2.66Å; D244-K309 PolarHBondContact OD1-NZ 3.05Å; D244-K309 IonicContact OD2-NZ 2.77Å; D244-K309 PolarHBondContact OD2-NZ 3.28Å; L245-K309 CarbonylContact O-C 3.56Å; L245-K309 WeakPolarHBondContact O-CA 3.33Å; T246-K309 PolarHBondContact OG1-NZ 3.36Å; G300-K309 CarbonylContact C-O 3.56Å; G300-K309 VanDerWaalsContact CA-O 3.24Å; G300-K309 WeakPolarHBondContact CA-O 3.46Å; I301-K309 HydrophobicContact CG2-CB 3.98Å; I301-K309 HydrophobicContact CG2-CD 4.33Å; I301-K309 PolarHBondContact N-O 3.36Å; I301-K309 PolarHBondContact O-N 3.35Å; K309-I311 HydrophobicContact CD-CD1 4.38Å; K309-I311 HydrophobicContact CG-CD1 4.1Å
310L98.9Very high98.8Very high0 Ų037.5 Ų37.50%019%0.191CC..EExtended strand (participates in β ladder)trans-118.6132.1-175.7-54.6-178.9000109.8L160 I164 L245 Y255 I258 F295 V308L160-L310 HydrophobicContact CD2-CB 4.15Å; I164-L310 HydrophobicContact CD1-CD1 3.6Å; I164-L310 HydrophobicContact CG1-CD1 3.59Å; I164-L310 HydrophobicContact CG2-CD1 4.5Å; L245-L310 HydrophobicContact CB-CB 4.43Å; L245-L310 PolarHBondContact N-O 3.17Å; L245-L310 PolarHBondContact O-N 3.48Å; Y255-L310 HydrophobicContact CE2-CD2 3.9Å; I258-L310 HydrophobicContact CG2-CD1 4.44Å; I258-L310 HydrophobicContact CG2-CD2 3.88Å; F295-L310 HydrophobicContact CE2-CB 4.07Å; F295-L310 HydrophobicContact CE2-CD2 4.06Å; F295-L310 HydrophobicContact CZ-CD2 4.38Å; V308-L310 HydrophobicContact CB-CD2 4.38Å; V308-L310 HydrophobicContact CG2-CD1 4.29Å; V308-L310 HydrophobicContact CG2-CD2 4.04Å; V308-L310 HydrophobicContact CG2-CG 4.01Å
311I98.9Very high98.8Very high21 Ų2136.9 Ų36.911%0.10819%0.185CC..EExtended strand (participates in β ladder)trans-111.4133.5-175.8-55.4-54.4000109.4V242 V243 D244 F295 D296 A299 K309V242-I311 HydrophobicContact CG2-CG2 3.4Å; V242-I311 VanDerWaalsContact CG2-CG2 3.4Å; V243-I311 WeakPolarHBondContact O-CA 3.29Å; D244-I311 HydrophobicContact CB-CD1 3.89Å; F295-I311 VanDerWaalsContact CD2-O 3.31Å; F295-I311 WeakPolarHBondContact CD2-O 3.32Å; D296-I311 HydrophobicContact CB-CB 4.29Å; D296-I311 HydrophobicContact CB-CG2 4.17Å; D296-I311 PolarHBondContact N-O 3.3Å; A299-I311 HydrophobicContact CB-CB 3.96Å; A299-I311 HydrophobicContact CB-CG1 3.89Å; A299-I311 HydrophobicContact CB-CG2 4.02Å; A299-I311 WeakPolarHBondContact O-CG1 3.21Å; K309-I311 HydrophobicContact CD-CD1 4.38Å; K309-I311 HydrophobicContact CG-CD1 4.1Å
312S98.9Very high98.8Very high0 Ų031.8 Ų31.80%016%0.159CC..EExtended strand (participates in β ladder)trans-141.4126.3173.6-168.30000112.5V242 V243 S293 I294V242-S312 WeakPolarHBondContact CA-O 3.31Å; V243-S312 PolarHBondContact N-O 3.38Å; V243-S312 PolarHBondContact O-N 2.98Å; S293-S312 PolarHBondContact OG-OG 3.15Å; I294-S312 PolarHBondContact N-OG 3.4Å; I294-S312 CarbonylContact O-C 3.5Å; I294-S312 VanDerWaalsContact O-CA 3.3Å; I294-S312 WeakPolarHBondContact O-CA 3.33Å; I294-S312 PolarHBondContact O-OG 3.49Å
313W98.9Very high98.8Very high38 Ų3830.3 Ų30.314%0.14415%0.148CC..EExtended strand (participates in β ladder)trans-81.2155.8176.8-63.997.8000111.3V240 V242 F286 S293 I294 D296V240-W313 HydrophobicContact CG1-CE3 3.95Å; V240-W313 HydrophobicContact CG1-CZ3 4.46Å; V242-W313 HydrophobicContact CB-CD2 4.09Å; V242-W313 HydrophobicContact CB-CE3 3.65Å; V242-W313 HydrophobicContact CB-CH2 4.33Å; V242-W313 HydrophobicContact CB-CZ3 3.77Å; V242-W313 HydrophobicContact CG1-CZ3 4.17Å; V242-W313 HydrophobicContact CG2-CD2 4Å; V242-W313 HydrophobicContact CG2-CE3 4.09Å; V242-W313 HydrophobicContact CG2-CG 4.45Å; V242-W313 HydrophobicContact CG2-CZ3 4.36Å; F286-W313 HydrophobicContact CD1-CB 4.33Å; F286-W313 HydrophobicContact CD2-CB 3.71Å; F286-W313 AromaticContact CD2-CD2 3.84Å; F286-W313 HydrophobicContact CD2-CD2 3.84Å; F286-W313 HydrophobicContact CD2-CE3 4.11Å; F286-W313 AromaticContact CD2-CG 3.68Å; F286-W313 HydrophobicContact CD2-CG 3.68Å; F286-W313 HydrophobicContact CE1-CB 4.26Å; F286-W313 HydrophobicContact CE1-CG 4.48Å; F286-W313 HydrophobicContact CE2-CB 3.62Å; F286-W313 AromaticContact CE2-CD1 3.36Å; F286-W313 AromaticContact CE2-CD2 3.48Å; F286-W313 HydrophobicContact CE2-CD2 3.48Å; F286-W313 VanDerWaalsContact CE2-CD2 3.48Å; F286-W313 AromaticContact CE2-CE2 3.82Å; F286-W313 HydrophobicContact CE2-CE3 4.18Å; F286-W313 AromaticContact CE2-CG 3.19Å; F286-W313 HydrophobicContact CE2-CG 3.19Å; F286-W313 AromaticContact CE2-NE1 3.72Å; F286-W313 HydrophobicContact CG-CB 4.05Å; F286-W313 HydrophobicContact CG-CG 4.47Å; F286-W313 HydrophobicContact CZ-CB 3.88Å; F286-W313 AromaticContact CZ-CD1 3.47Å; F286-W313 VanDerWaalsContact CZ-CD1 3.47Å; F286-W313 HydrophobicContact CZ-CD2 4.36Å; F286-W313 AromaticContact CZ-CG 3.65Å; F286-W313 HydrophobicContact CZ-CG 3.65Å; S293-W313 CarbonylContact C-O 3.48Å; S293-W313 WeakPolarHBondContact CA-O 3.13Å; I294-W313 HydrophobicContact CB-CB 4.38Å; I294-W313 WeakPolarHBondContact CD1-O 3.19Å; I294-W313 PolarHBondContact N-O 3.02Å; I294-W313 PolarHBondContact O-N 2.67Å; D296-W313 PolarHBondContact OD2-NE1 3.25Å
314Y98.9Very high98.8Very high3 Ų323.9 Ų23.91%0.01211%0.114CC..EExtended strand (participates in β ladder)trans-158.5133.4169.862.8-73.8000110.9C152 T153 C156 T177 H179 S241 V243 S292 N316C152-Y314 HydrophobicContact CB-CD2 4.15Å; C152-Y314 HydrophobicContact CB-CE2 3.83Å; T153-Y314 PolarHBondContact OG1-OH 2.72Å; C156-Y314 HydrophobicContact CB-CD1 3.53Å; C156-Y314 HydrophobicContact CB-CD2 4.15Å; C156-Y314 HydrophobicContact CB-CE1 4.08Å; C156-Y314 HydrophobicContact CB-CG 3.56Å; C156-Y314 WeakPolarHBondContact SG-CD1 3.47Å; T177-Y314 PolarHBondContact OG1-OH 3.04Å; H179-Y314 PolarHBondContact CD2-OH 3.44Å; S241-Y314 VanDerWaalsContact CB-CE1 3.42Å; S241-Y314 VanDerWaalsContact CB-OH 3.32Å; S241-Y314 WeakPolarHBondContact CB-OH 2.96Å; S241-Y314 PolarHBondContact N-O 2.86Å; S241-Y314 VanDerWaalsContact O-CD1 3.29Å; S241-Y314 WeakPolarHBondContact O-CD1 3.23Å; S241-Y314 PolarHBondContact O-N 3.19Å; V243-Y314 HydrophobicContact CG2-CD1 4.32Å; V243-Y314 HydrophobicContact CG2-CE1 3.8Å; S292-Y314 VanDerWaalsContact O-CB 3.27Å; S292-Y314 WeakPolarHBondContact O-CB 3.31Å; Y314-N316 HydrophobicContact CD2-CB 3.86Å; Y314-N316 HydrophobicContact CE2-CB 3.6Å; Y314-N316 PolarHBondContact O-N 3.29Å; Y314-N316 VanDerWaalsContact O-N 3.13Å
315D98.9Very high98.9Very high1 Ų120 Ų201%0.0059%0.094CC..  trans-70.5106.1161.5-170.2-44.8000108.2H52 V240 G288 E317 Y318 G319H52-D315 IonicContact CE1-OD2 3.21Å; H52-D315 PolarHBondContact CE1-OD2 3.12Å; V240-D315 HydrophobicContact CG2-CB 4.29Å; G288-D315 PolarHBondContact N-OD2 2.91Å; D315-E317 PolarHBondContact O-N 3.32Å; D315-E317 PolarHBondContact OD1-N 2.85Å; D315-Y318 VanDerWaalsContact CG-CB 3.43Å; D315-Y318 WeakPolarHBondContact OD1-CB 3.28Å; D315-Y318 PolarHBondContact OD1-N 2.79Å; D315-Y318 WeakPolarHBondContact OD2-CB 3.4Å; D315-G319 PolarHBondContact O-N 3.18Å
316N98.8Very high98.9Very high8 Ų817.1 Ų17.14%0.0438%0.078CC..THydrogen-bonded Turntrans-69.4-13.1-174.549.1-102.2000113.4C152 D239 V240 S241 Y314C152-N316 HydrophobicContact CB-CB 3.92Å; C152-N316 WeakPolarHBondContact CB-O 3.34Å; D239-N316 PolarHBondContact OD1-ND2 2.68Å; D239-N316 PolarHBondContact OD1-OD1 2.78Å; V240-N316 VanDerWaalsContact C-OD1 3.27Å; V240-N316 WeakPolarHBondContact CA-OD1 3.27Å; V240-N316 PolarHBondContact N-OD1 3.24Å; S241-N316 PolarHBondContact N-OD1 3.09Å; S241-N316 PolarHBondContact OG-OD1 3.1Å; Y314-N316 HydrophobicContact CD2-CB 3.86Å; Y314-N316 HydrophobicContact CE2-CB 3.6Å; Y314-N316 PolarHBondContact O-N 3.29Å; Y314-N316 VanDerWaalsContact O-N 3.13Å
317E98.9Very high98.9Very high16 Ų1614.8 Ų14.88%0.0757%0.066CC..THydrogen-bonded Turntrans-103.6-53.8176.2-61.8-169.9149.300111.7R13 L17 H52 D239 D315 S321R13-E317 WeakPolarHBondContact CB-OE1 3.37Å; R13-E317 VanDerWaalsContact CG-OE1 3.27Å; R13-E317 WeakPolarHBondContact CG-OE1 3.37Å; R13-E317 IonicContact CZ-OE1 2.71Å; R13-E317 IonicContact CZ-OE2 3.84Å; R13-E317 VanDerWaalsContact NE-CD 3.29Å; R13-E317 IonicContact NE-OE1 3.44Å; R13-E317 PolarHBondContact NE-OE1 2.94Å; R13-E317 IonicContact NE-OE2 3.23Å; R13-E317 PolarHBondContact NE-OE2 2.83Å; R13-E317 IonicContact NH2-OE1 3.45Å; R13-E317 IonicContact NH2-OE2 3.02Å; R13-E317 PolarHBondContact NH2-OE2 3.38Å; L17-E317 HydrophobicContact CD1-CB 3.49Å; L17-E317 VanDerWaalsContact CD1-CB 3.49Å; L17-E317 HydrophobicContact CD1-CG 4.45Å; H52-E317 IonicContact CD2-OE2 3.92Å; H52-E317 IonicContact NE2-OE2 2.93Å; H52-E317 PolarHBondContact NE2-OE2 3.24Å; D239-E317 WeakPolarHBondContact OD1-CG 3.38Å; D315-E317 PolarHBondContact O-N 3.32Å; D315-E317 PolarHBondContact OD1-N 2.85Å; E317-S321 VanDerWaalsContact O-CB 3.22Å; E317-S321 WeakPolarHBondContact O-CB 3.3Å; E317-S321 PolarHBondContact O-N 3.12Å; E317-S321 PolarHBondContact O-OG 2.9Å
318Y98.8Very high98.9Very high25 Ų2510.9 Ų10.910%0.0985%0.049CC..Hα-helixtrans-78.3-48.3-170.1-146.9-95.9000112.9L17 Q24 H52 G288 T290 D315 Y320 S321 N322L17-Y318 HydrophobicContact CD1-CD2 4.5Å; L17-Y318 HydrophobicContact CD2-CD2 3.93Å; L17-Y318 HydrophobicContact CD2-CE2 4.01Å; Q24-Y318 PolarHBondContact NE2-OH 3.32Å; Q24-Y318 VanDerWaalsContact NE2-OH 3.11Å; H52-Y318 AromaticContact CE1-CD2 3.79Å; H52-Y318 AromaticContact CG-CD2 3.96Å; H52-Y318 AromaticContact ND1-CD2 3.59Å; G288-Y318 WeakPolarHBondContact O-CD1 3.3Å; G288-Y318 WeakPolarHBondContact O-CE1 3.47Å; T290-Y318 HydrophobicContact CG2-CD1 3.96Å; T290-Y318 HydrophobicContact CG2-CE1 3.84Å; D315-Y318 VanDerWaalsContact CG-CB 3.43Å; D315-Y318 WeakPolarHBondContact OD1-CB 3.28Å; D315-Y318 PolarHBondContact OD1-N 2.79Å; D315-Y318 WeakPolarHBondContact OD2-CB 3.4Å; Y318-Y320 VanDerWaalsContact C-N 3.33Å; Y318-Y320 PolarHBondContact O-N 3.16Å; Y318-S321 PolarHBondContact O-N 3.37Å; Y318-N322 WeakPolarHBondContact CD1-ND2 3.41Å; Y318-N322 PolarHBondContact O-N 2.8Å; Y318-N322 PolarHBondContact O-ND2 2.76Å
319G98.8Very high98.8Very high0 Ų013.2 Ų13.20%06%0.061CC..Hα-helixtrans-60-45.1175.100000111.2D289 H291 D315 N322 R323D289-G319 PolarHBondContact O-N 2.94Å; H291-G319 WeakPolarHBondContact O-CA 3.24Å; D315-G319 PolarHBondContact O-N 3.18Å; G319-N322 PolarHBondContact O-N 2.91Å; G319-R323 WeakPolarHBondContact O-CG 3.41Å; G319-R323 PolarHBondContact O-N 3.01Å
320Y98.9Very high98.8Very high11 Ų1112.4 Ų12.44%0.0436%0.056CC..Hα-helixtrans-62.6-44175.9-174.2-99.5000112.9I14 S121 A122 N149 A150 C152 Y318 N322 R323 V324I14-Y320 HydrophobicContact CD1-CD1 4.07Å; I14-Y320 HydrophobicContact CG2-CD1 4.32Å; I14-Y320 HydrophobicContact CG2-CE1 4.31Å; S121-Y320 VanDerWaalsContact CA-OH 3.24Å; S121-Y320 WeakPolarHBondContact CA-OH 3.14Å; S121-Y320 PolarHBondContact O-OH 3.4Å; S121-Y320 VanDerWaalsContact O-OH 3.09Å; A122-Y320 PolarHBondContact N-OH 3.13Å; N149-Y320 VanDerWaalsContact O-CE2 3.31Å; N149-Y320 WeakPolarHBondContact O-CE2 3.14Å; N149-Y320 PolarHBondContact O-OH 3.06Å; A150-Y320 PolarHBondContact O-OH 3.33Å; C152-Y320 HydrophobicContact CB-CD2 4.11Å; C152-Y320 HydrophobicContact CB-CG 4.25Å; Y318-Y320 VanDerWaalsContact C-N 3.33Å; Y318-Y320 PolarHBondContact O-N 3.16Å; Y320-N322 VanDerWaalsContact C-N 3.3Å; Y320-N322 PolarHBondContact O-N 2.94Å; Y320-R323 WeakPolarHBondContact O-CB 3.29Å; Y320-R323 PolarHBondContact O-N 2.76Å; Y320-R323 VanDerWaalsContact O-N 3.11Å; Y320-V324 HydrophobicContact CD1-CG2 4.29Å; Y320-V324 HydrophobicContact CE1-CG2 3.89Å; Y320-V324 PolarHBondContact O-N 3.37Å
321S98.9Very high98.8Very high0 Ų012.4 Ų12.40%06%0.056CC..Hα-helixtrans-63.8-36.2178.3-62.80000112.2L17 E317 Y318 V324 A325L17-S321 WeakPolarHBondContact CB-OG 3.34Å; E317-S321 VanDerWaalsContact O-CB 3.22Å; E317-S321 WeakPolarHBondContact O-CB 3.3Å; E317-S321 PolarHBondContact O-N 3.12Å; E317-S321 PolarHBondContact O-OG 2.9Å; Y318-S321 PolarHBondContact O-N 3.37Å; S321-V324 PolarHBondContact O-N 3.41Å; S321-A325 PolarHBondContact O-N 3.39Å
322N98.9Very high98.7Very high5 Ų514.8 Ų14.83%0.0277%0.065CC..Hα-helixtrans-64.8-38.7172.2-84.9-86.9000112.1K25 Y318 G319 Y320 V324 A325 D326K25-N322 VanDerWaalsContact CE-OD1 3.27Å; K25-N322 WeakPolarHBondContact CE-OD1 3.49Å; Y318-N322 WeakPolarHBondContact CD1-ND2 3.41Å; Y318-N322 PolarHBondContact O-N 2.8Å; Y318-N322 PolarHBondContact O-ND2 2.76Å; G319-N322 PolarHBondContact O-N 2.91Å; Y320-N322 VanDerWaalsContact C-N 3.3Å; Y320-N322 PolarHBondContact O-N 2.94Å; N322-V324 VanDerWaalsContact C-N 3.35Å; N322-V324 PolarHBondContact O-N 3.16Å; N322-A325 PolarHBondContact O-N 3.36Å; N322-D326 PolarHBondContact O-N 2.88Å
323R98.9Very high98.7Very high5 Ų518.6 Ų18.62%0.0199%0.091CC..Hα-helixtrans-64.5-35.6173.8-68.2-53.789.9651.6113.6T290 S292 G319 Y320 A325 D326 L327T290-R323 PolarHBondContact O-NH1 2.91Å; T290-R323 PolarHBondContact O-NH2 3.27Å; T290-R323 VanDerWaalsContact O-NH2 3.1Å; S292-R323 WeakPolarHBondContact OG-CD 3.46Å; S292-R323 WeakPolarHBondContact OG-CG 3.34Å; S292-R323 PolarHBondContact OG-NH1 3.43Å; G319-R323 WeakPolarHBondContact O-CG 3.41Å; G319-R323 PolarHBondContact O-N 3.01Å; Y320-R323 WeakPolarHBondContact O-CB 3.29Å; Y320-R323 PolarHBondContact O-N 2.76Å; Y320-R323 VanDerWaalsContact O-N 3.11Å; R323-A325 VanDerWaalsContact C-N 3.34Å; R323-D326 IonicContact CZ-OD2 2.63Å; R323-D326 IonicContact NE-OD2 2.72Å; R323-D326 PolarHBondContact NE-OD2 2.99Å; R323-D326 IonicContact NH2-OD2 3.21Å; R323-D326 PolarHBondContact NH2-OD2 2.88Å; R323-D326 PolarHBondContact O-N 3.08Å; R323-L327 WeakPolarHBondContact O-CB 3.46Å; R323-L327 PolarHBondContact O-N 3.15Å
324V98.9Very high98.6Very high0 Ų021.7 Ų21.70%011%0.106CC..Hα-helixtrans-60.6-46.9171.8174.60000110.1V18 V95 V119 N149 Y320 S321 N322 D326 L327 L328V18-V324 HydrophobicContact CG1-CG1 4.15Å; V18-V324 HydrophobicContact CG2-CB 3.97Å; V18-V324 HydrophobicContact CG2-CG1 4Å; V18-V324 HydrophobicContact CG2-CG2 4.3Å; V95-V324 HydrophobicContact CG1-CG1 3.91Å; V95-V324 HydrophobicContact CG2-CG1 3.78Å; V119-V324 HydrophobicContact CG1-CG1 4.27Å; N149-V324 HydrophobicContact CB-CG2 4.2Å; N149-V324 WeakPolarHBondContact ND2-CG2 3.35Å; N149-V324 PolarHBondContact ND2-N 2.83Å; Y320-V324 HydrophobicContact CD1-CG2 4.29Å; Y320-V324 HydrophobicContact CE1-CG2 3.89Å; Y320-V324 PolarHBondContact O-N 3.37Å; S321-V324 PolarHBondContact O-N 3.41Å; N322-V324 VanDerWaalsContact C-N 3.35Å; N322-V324 PolarHBondContact O-N 3.16Å; V324-D326 PolarHBondContact O-N 3.11Å; V324-L327 PolarHBondContact O-N 3.27Å; V324-L328 HydrophobicContact CG1-CD1 4.25Å; V324-L328 VanDerWaalsContact O-CG 3.25Å; V324-L328 WeakPolarHBondContact O-CG 3.36Å; V324-L328 PolarHBondContact O-N 2.93Å
325A98.8Very high98.2Very high0 Ų027.6 Ų27.60%013%0.133CC..Hα-helixtrans-64.2-38.3177.800000112.9A21 K25 I27 S321 N322 R323 L328 L329A21-A325 HydrophobicContact CB-CB 4.07Å; K25-A325 HydrophobicContact CD-CB 3.74Å; I27-A325 HydrophobicContact CD1-CB 3.99Å; S321-A325 PolarHBondContact O-N 3.39Å; N322-A325 PolarHBondContact O-N 3.36Å; R323-A325 VanDerWaalsContact C-N 3.34Å; A325-L328 PolarHBondContact O-N 3.08Å; A325-L329 WeakPolarHBondContact O-CG 3.45Å; A325-L329 PolarHBondContact O-N 2.93Å; A325-L329 VanDerWaalsContact O-N 3.1Å
326D98.8Very high98.1Very high32 Ų3228.9 Ų28.917%0.17114%0.14CC..Hα-helixtrans-66.1-42.3175.5-67-28000111.8K25 M132 N322 R323 V324 L329 Y330K25-D326 WeakPolarHBondContact CE-OD1 3.41Å; K25-D326 IonicContact NZ-OD1 3.02Å; K25-D326 PolarHBondContact NZ-OD1 3.23Å; K25-D326 IonicContact NZ-OD2 3.3Å; M132-D326 HydrophobicContact CE-CB 4.43Å; M132-D326 HydrophobicContact CG-CB 4.07Å; N322-D326 PolarHBondContact O-N 2.88Å; R323-D326 IonicContact CZ-OD2 2.63Å; R323-D326 IonicContact NE-OD2 2.72Å; R323-D326 PolarHBondContact NE-OD2 2.99Å; R323-D326 IonicContact NH2-OD2 3.21Å; R323-D326 PolarHBondContact NH2-OD2 2.88Å; R323-D326 PolarHBondContact O-N 3.08Å; V324-D326 PolarHBondContact O-N 3.11Å; D326-L329 PolarHBondContact O-N 3.05Å; D326-Y330 WeakPolarHBondContact O-CB 3.41Å; D326-Y330 PolarHBondContact O-N 2.71Å
327L98.8Very high98.1Very high0 Ų030 Ų300%015%0.145CC..Hα-helixtrans-63.7-41.4176.1-179.460.3000111.4V119 F130 M132 V147 N149 R323 V324 L329 Y330 M331V119-L327 HydrophobicContact CG1-CD2 3.89Å; V119-L327 HydrophobicContact CG2-CD2 4.47Å; F130-L327 HydrophobicContact CB-CD1 4.02Å; F130-L327 HydrophobicContact CB-CD2 4.35Å; M132-L327 HydrophobicContact SD-CB 3.94Å; M132-L327 HydrophobicContact SD-CD1 3.9Å; V147-L327 HydrophobicContact CG2-CD2 4.17Å; N149-L327 HydrophobicContact CB-CD2 3.91Å; R323-L327 WeakPolarHBondContact O-CB 3.46Å; R323-L327 PolarHBondContact O-N 3.15Å; V324-L327 PolarHBondContact O-N 3.27Å; L327-L329 PolarHBondContact O-N 3.32Å; L327-Y330 PolarHBondContact O-N 3.16Å; L327-M331 HydrophobicContact CD1-CG 4.09Å; L327-M331 HydrophobicContact CD1-SD 4.27Å; L327-M331 HydrophobicContact CG-CG 4.34Å; L327-M331 HydrophobicContact CG-SD 3.98Å; L327-M331 WeakPolarHBondContact O-CB 3.42Å; L327-M331 VanDerWaalsContact O-CG 3.23Å; L327-M331 WeakPolarHBondContact O-CG 3.21Å; L327-M331 PolarHBondContact O-N 3Å
328L98.8Very high98.1Very high0 Ų030.8 Ų30.80%015%0.149CC..Hα-helixtrans-57.6-47.3174.1-74170.1000111.8L4 V6 Y93 V95 V119 V324 A325 Y332L4-L328 HydrophobicContact CD2-CB 4.11Å; V6-L328 HydrophobicContact CG1-CD1 4.11Å; V6-L328 HydrophobicContact CG2-CD1 4.1Å; V6-L328 HydrophobicContact CG2-CD2 4.5Å; Y93-L328 HydrophobicContact CD1-CD2 3.63Å; Y93-L328 HydrophobicContact CG-CD2 4.27Å; V95-L328 HydrophobicContact CG2-CD1 3.73Å; V95-L328 HydrophobicContact CG2-CD2 4.35Å; V95-L328 HydrophobicContact CG2-CG 4.46Å; V119-L328 HydrophobicContact CB-CD2 4.42Å; V119-L328 HydrophobicContact CG2-CD2 3.7Å; V119-L328 HydrophobicContact CG2-CG 4.35Å; V324-L328 HydrophobicContact CG1-CD1 4.25Å; V324-L328 VanDerWaalsContact O-CG 3.25Å; V324-L328 WeakPolarHBondContact O-CG 3.36Å; V324-L328 PolarHBondContact O-N 2.93Å; A325-L328 PolarHBondContact O-N 3.08Å; L328-Y332 WeakPolarHBondContact O-CB 3.16Å; L328-Y332 PolarHBondContact O-N 2.96Å
329L98.3Very high98Very high51 Ų5131.1 Ų31.127%0.26715%0.152SC..Hα-helixtrans-64.6-42.1177-74.8169.6000112.1L4 K25 I27 A325 D326 L327 Y332 S333L4-L329 HydrophobicContact CD2-CD2 4.23Å; K25-L329 HydrophobicContact CB-CD1 4.21Å; K25-L329 HydrophobicContact CD-CD1 4.31Å; I27-L329 HydrophobicContact CD1-CD1 4.02Å; I27-L329 HydrophobicContact CD1-CD2 4.05Å; I27-L329 HydrophobicContact CD1-CG 3.67Å; I27-L329 HydrophobicContact CG1-CD1 4.3Å; I27-L329 HydrophobicContact CG1-CD2 3.78Å; I27-L329 HydrophobicContact CG1-CG 3.97Å; A325-L329 WeakPolarHBondContact O-CG 3.45Å; A325-L329 PolarHBondContact O-N 2.93Å; A325-L329 VanDerWaalsContact O-N 3.1Å; D326-L329 PolarHBondContact O-N 3.05Å; L327-L329 PolarHBondContact O-N 3.32Å; L329-Y332 PolarHBondContact O-N 2.85Å; L329-S333 PolarHBondContact O-N 3.39Å
330Y98.5Very high98Very high44 Ų4433.1 Ų33.117%0.17316%0.161CC..Hα-helixtrans-63.1-50.9179.1-179.1-89.5000111.1M132 E136 D137 Y139 D326 L327 Y332 S333 K334M132-Y330 HydrophobicContact CE-CD2 4.21Å; M132-Y330 HydrophobicContact CE-CG 4.03Å; E136-Y330 HydrophobicContact CB-CD1 4.08Å; E136-Y330 HydrophobicContact CB-CE1 3.94Å; E136-Y330 HydrophobicContact CB-CE2 4.35Å; E136-Y330 HydrophobicContact CB-CG 4.36Å; E136-Y330 HydrophobicContact CG-CD2 4.12Å; E136-Y330 HydrophobicContact CG-CE1 4.31Å; E136-Y330 HydrophobicContact CG-CE2 3.83Å; E136-Y330 HydrophobicContact CG-CG 4.46Å; E136-Y330 WeakPolarHBondContact O-CE1 3.39Å; E136-Y330 VanDerWaalsContact O-CZ 3.25Å; E136-Y330 PolarHBondContact O-OH 3.33Å; D137-Y330 VanDerWaalsContact CA-OH 3.29Å; D137-Y330 WeakPolarHBondContact CA-OH 3.45Å; Y139-Y330 HydrophobicContact CD1-CE1 4.37Å; D326-Y330 WeakPolarHBondContact O-CB 3.41Å; D326-Y330 PolarHBondContact O-N 2.71Å; L327-Y330 PolarHBondContact O-N 3.16Å; Y330-Y332 VanDerWaalsContact C-N 3.29Å; Y330-Y332 PolarHBondContact O-N 2.83Å; Y330-S333 WeakPolarHBondContact O-CB 3.49Å; Y330-S333 PolarHBondContact O-N 3.25Å; Y330-S333 VanDerWaalsContact O-N 3.08Å; Y330-S333 PolarHBondContact O-OG 2.95Å; Y330-K334 HydrophobicContact CD1-CG 4.48Å; Y330-K334 HydrophobicContact CE1-CG 4.03Å; Y330-K334 WeakPolarHBondContact O-CG 3.41Å; Y330-K334 PolarHBondContact O-N 2.79Å; Y330-K334 WeakPolarHBondContact OH-CE 3.45Å
331M98.4Very high97.9Very high0 Ų034.5 Ų34.50%017%0.169CC..Hα-helixtrans-55.2-47.3176.2-70.9171.169.900110.8Y93 R117 V119 Y139 V147 L327 S333 K334 E335Y93-M331 HydrophobicContact CE1-CB 3.78Å; Y93-M331 HydrophobicContact CE1-CE 4.01Å; Y93-M331 HydrophobicContact CE1-SD 4.39Å; R117-M331 HydrophobicContact CB-CE 4.04Å; R117-M331 HydrophobicContact CG-CE 4.28Å; V119-M331 HydrophobicContact CG2-CE 4.31Å; V119-M331 HydrophobicContact CG2-SD 3.61Å; Y139-M331 HydrophobicContact CD1-CB 4.39Å; Y139-M331 HydrophobicContact CD1-CG 4.04Å; Y139-M331 HydrophobicContact CD2-CG 4.27Å; Y139-M331 HydrophobicContact CE1-CB 3.79Å; Y139-M331 HydrophobicContact CE1-CG 3.74Å; Y139-M331 HydrophobicContact CE2-CE 3.8Å; Y139-M331 HydrophobicContact CE2-CG 4Å; Y139-M331 HydrophobicContact CE2-SD 4.49Å; Y139-M331 HydrophobicContact CG-CG 4.3Å; Y139-M331 WeakPolarHBondContact OH-CE 3.4Å; V147-M331 HydrophobicContact CG1-CE 4.43Å; V147-M331 HydrophobicContact CG2-CE 3.82Å; V147-M331 HydrophobicContact CG2-SD 3.62Å; L327-M331 HydrophobicContact CD1-CG 4.09Å; L327-M331 HydrophobicContact CD1-SD 4.27Å; L327-M331 HydrophobicContact CG-CG 4.34Å; L327-M331 HydrophobicContact CG-SD 3.98Å; L327-M331 WeakPolarHBondContact O-CB 3.42Å; L327-M331 VanDerWaalsContact O-CG 3.23Å; L327-M331 WeakPolarHBondContact O-CG 3.21Å; L327-M331 PolarHBondContact O-N 3Å; M331-S333 VanDerWaalsContact C-N 3.27Å; M331-S333 PolarHBondContact O-N 2.94Å; M331-K334 WeakPolarHBondContact O-CB 3.07Å; M331-K334 PolarHBondContact O-N 2.88Å; M331-E335 PolarHBondContact O-N 2.93Å
332Y97.8Very high97.8Very high72 Ų7237 Ų3728%0.28218%0.181SC..Hα-helixtrans-61.7-33.3178.7-176.6-111.8000113.3L4 Y93 L328 L329 Y330 K334 E335L4-Y332 HydrophobicContact CB-CD1 3.97Å; L4-Y332 HydrophobicContact CB-CD2 4.31Å; L4-Y332 HydrophobicContact CB-CE1 4.21Å; L4-Y332 HydrophobicContact CB-CG 4.02Å; L4-Y332 HydrophobicContact CD1-CD2 3.85Å; L4-Y332 HydrophobicContact CD1-CG 3.96Å; L4-Y332 HydrophobicContact CD2-CG 4.23Å; L4-Y332 HydrophobicContact CG-CG 4.28Å; Y93-Y332 HydrophobicContact CE2-CD2 4.33Å; Y93-Y332 WeakPolarHBondContact OH-CA 3.36Å; Y93-Y332 PolarHBondContact OH-N 3.04Å; L328-Y332 WeakPolarHBondContact O-CB 3.16Å; L328-Y332 PolarHBondContact O-N 2.96Å; L329-Y332 PolarHBondContact O-N 2.85Å; Y330-Y332 VanDerWaalsContact C-N 3.29Å; Y330-Y332 PolarHBondContact O-N 2.83Å; Y332-K334 PolarHBondContact O-N 3.3Å; Y332-E335 PolarHBondContact O-N 2.8Å
333S97.2Very high97.8Very high80 Ų8039.5 Ų39.556%0.55919%0.193SC*.THydrogen-bonded Turntrans-71.3-10.3175.778.10000114.3L329 Y330 M331L329-S333 PolarHBondContact O-N 3.39Å; Y330-S333 WeakPolarHBondContact O-CB 3.49Å; Y330-S333 PolarHBondContact O-N 3.25Å; Y330-S333 VanDerWaalsContact O-N 3.08Å; Y330-S333 PolarHBondContact O-OG 2.95Å; M331-S333 VanDerWaalsContact C-N 3.27Å; M331-S333 PolarHBondContact O-N 2.94Å
334K96.9Very high97.7Very high102 Ų10242.3 Ų42.344%0.44321%0.207SC..THydrogen-bonded Turntrans-101.5-8.5177.9-59.8-55.8-175.6178.80113.4Y139 P141 Y330 M331 Y332Y139-K334 HydrophobicContact CD1-CB 4.23Å; Y139-K334 HydrophobicContact CD1-CG 4.22Å; Y139-K334 HydrophobicContact CE1-CB 4.21Å; P141-K334 HydrophobicContact CG-CB 4.19Å; P141-K334 WeakPolarHBondContact CG-O 3.44Å; Y330-K334 HydrophobicContact CD1-CG 4.48Å; Y330-K334 HydrophobicContact CE1-CG 4.03Å; Y330-K334 WeakPolarHBondContact O-CG 3.41Å; Y330-K334 PolarHBondContact O-N 2.79Å; Y330-K334 WeakPolarHBondContact OH-CE 3.45Å; M331-K334 WeakPolarHBondContact O-CB 3.07Å; M331-K334 PolarHBondContact O-N 2.88Å; Y332-K334 PolarHBondContact O-N 3.3Å
335E90.9Very high97.6Very high127 Ų12746.2 Ų46.259%0.59323%0.226SC*.  trans-71.70176.5-55.9-70.3-169.100113Y93 R117 M331 Y332Y93-E335 WeakPolarHBondContact OH-CG 3.36Å; Y93-E335 PolarHBondContact OH-OE1 2.91Å; R117-E335 IonicContact CZ-OE1 2.8Å; R117-E335 IonicContact CZ-OE2 3.76Å; R117-E335 IonicContact NE-OE1 2.91Å; R117-E335 PolarHBondContact NE-OE1 2.64Å; R117-E335 IonicContact NE-OE2 2.98Å; R117-E335 IonicContact NH2-OE1 2.64Å; R117-E335 PolarHBondContact NH2-OE1 3.27Å; R117-E335 IonicContact NH2-OE2 3.29Å; R117-E335 PolarHBondContact NH2-OE2 2.72Å; M331-E335 PolarHBondContact O-N 2.93Å; Y332-E335 PolarHBondContact O-N 2.8Å

Retrieved 335 of 335 residues in 230.7 ms (Link to these results)

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