A0A077ZMC2_TRITR Loading...

D,D-heptose 1,7-bisphosphate phosphatase

AlphaFold DB , UniProt , Accession A0A077ZMC2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 152 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
1M98Very high98.3Very high84 Ų8464.9 Ų64.941%0.41435%0.345SS..  0-63.60-66.6-170.9-63.800111.8E3 L4 K5 L11 L41 V46 L138M1-E3 VanDerWaalsContact C-N 3.26Å; M1-E3 PolarHBondContact O-N 2.96Å; M1-E3 VanDerWaalsContact O-N 3.16Å; M1-L4 WeakPolarHBondContact O-CA 3.48Å; M1-L4 WeakPolarHBondContact O-CB 3.47Å; M1-L4 PolarHBondContact O-N 2.85Å; M1-K5 PolarHBondContact O-N 3.3Å; M1-L11 HydrophobicContact CB-CD1 3.74Å; M1-L11 HydrophobicContact CG-CD1 4.14Å; M1-L41 HydrophobicContact CE-CD1 4.4Å; M1-L41 HydrophobicContact CE-CD2 3.52Å; M1-V46 HydrophobicContact CB-CG1 3.81Å; M1-V46 HydrophobicContact CB-CG2 4.2Å; M1-L138 HydrophobicContact CG-CD2 3.99Å; M1-L138 HydrophobicContact SD-CD2 4.23Å
2R98.3Very high98.3Very high102 Ų10263.1 Ų63.139%0.38534%0.338SS..Hα-helixtrans-47.7-46.8175.1-168.3-177.7-52.5129.8-3.5114L4 K5 K6 R44 D45 V46R2-L4 VanDerWaalsContact C-N 3.31Å; R2-L4 PolarHBondContact O-N 2.96Å; R2-K5 PolarHBondContact O-N 2.91Å; R2-K6 WeakPolarHBondContact O-CG 3.45Å; R2-K6 PolarHBondContact O-N 3.31Å; R2-R44 VanDerWaalsContact CZ-O 3.31Å; R2-R44 PolarHBondContact NE-O 2.88Å; R2-R44 VanDerWaalsContact NE-O 3.08Å; R2-R44 PolarHBondContact NH2-O 3.41Å; R2-D45 WeakPolarHBondContact CD-OD2 3.28Å; R2-D45 WeakPolarHBondContact CG-O 3.35Å; R2-D45 IonicContact NE-OD2 2.85Å; R2-V46 HydrophobicContact CB-CG2 3.87Å
3E98.4Very high98.4Very high73 Ų7361.5 Ų61.534%0.34133%0.332SS..Hα-helixtrans-63.1-35.6177-173.261.6-171.600113.1M1 K6 M7 P142 K146M1-E3 VanDerWaalsContact C-N 3.26Å; M1-E3 PolarHBondContact O-N 2.96Å; M1-E3 VanDerWaalsContact O-N 3.16Å; E3-K6 PolarHBondContact O-N 3Å; E3-M7 HydrophobicContact CG-SD 4.03Å; E3-M7 WeakPolarHBondContact O-CB 3.36Å; E3-M7 WeakPolarHBondContact O-CG 3.48Å; E3-M7 PolarHBondContact O-N 3.33Å; E3-P142 HydrophobicContact CB-CB 4.23Å; E3-P142 HydrophobicContact CB-CG 4.16Å; E3-P142 HydrophobicContact CG-CB 3.74Å; E3-P142 HydrophobicContact CG-CG 4.23Å; E3-K146 WeakPolarHBondContact OE1-CE 3.21Å; E3-K146 IonicContact OE1-NZ 2.71Å; E3-K146 PolarHBondContact OE1-NZ 3.37Å
4L98.5Very high98.4Very high8 Ų858.8 Ų58.84%0.04232%0.318CS..Hα-helixtrans-68.2-41.2177.8-62.8168.9000111M1 R2 K6 M7 G8 F9 L11 L138 L141 P142 I145M1-L4 WeakPolarHBondContact O-CA 3.48Å; M1-L4 WeakPolarHBondContact O-CB 3.47Å; M1-L4 PolarHBondContact O-N 2.85Å; R2-L4 VanDerWaalsContact C-N 3.31Å; R2-L4 PolarHBondContact O-N 2.96Å; L4-K6 VanDerWaalsContact C-N 3.34Å; L4-K6 PolarHBondContact O-N 3.49Å; L4-M7 HydrophobicContact CD2-SD 4.42Å; L4-M7 CarbonylContact O-C 3.59Å; L4-M7 WeakPolarHBondContact O-CB 3.49Å; L4-M7 PolarHBondContact O-N 3.06Å; L4-M7 VanDerWaalsContact O-N 3.13Å; L4-G8 PolarHBondContact O-N 2.63Å; L4-F9 HydrophobicContact CD2-CD2 4.48Å; L4-F9 PolarHBondContact O-N 2.85Å; L4-F9 VanDerWaalsContact O-N 3.12Å; L4-L11 HydrophobicContact CB-CD2 3.97Å; L4-L11 HydrophobicContact CD1-CD2 4.15Å; L4-L138 HydrophobicContact CD1-CD1 4.46Å; L4-L141 HydrophobicContact CD1-CD2 4.03Å; L4-L141 HydrophobicContact CD2-CD2 4.35Å; L4-L141 HydrophobicContact CD2-CG 4.31Å; L4-P142 HydrophobicContact CD2-CB 4.26Å; L4-P142 HydrophobicContact CD2-CG 3.89Å; L4-P142 HydrophobicContact CG-CG 4.06Å; L4-I145 HydrophobicContact CD2-CD1 3.91Å
5K98.1Very high98.4Very high57 Ų5757.1 Ų57.125%0.24831%0.31CS..Hα-helixtrans-60-44.4171.6-70-75.2-67.8-158.40111M1 R2 M7 G8 F9 L11 D47 D49M1-K5 PolarHBondContact O-N 3.3Å; R2-K5 PolarHBondContact O-N 2.91Å; K5-M7 PolarHBondContact O-N 3.4Å; K5-G8 WeakPolarHBondContact O-CA 3.49Å; K5-G8 PolarHBondContact O-N 3.13Å; K5-F9 WeakPolarHBondContact CD-O 3.17Å; K5-L11 HydrophobicContact CD-CB 4.29Å; K5-L11 HydrophobicContact CD-CD1 3.93Å; K5-L11 HydrophobicContact CD-CG 3.74Å; K5-L11 HydrophobicContact CG-CD1 3.56Å; K5-L11 HydrophobicContact CG-CG 3.87Å; K5-D47 WeakPolarHBondContact CE-O 3.47Å; K5-D47 PolarHBondContact NZ-O 2.99Å; K5-D49 IonicContact NZ-OD1 2.68Å; K5-D49 PolarHBondContact NZ-OD1 3.08Å; K5-D49 IonicContact NZ-OD2 3.82Å; K5-D49 PolarHBondContact NZ-OD2 3.42Å
6K97.8Very high98.4Very high147 Ų14756.1 Ų56.164%0.63931%0.305SS*.Hα-helixtrans-61.8-30.1174.8-72.2-176.5179-173.60113.4R2 E3 L4 G8R2-K6 WeakPolarHBondContact O-CG 3.45Å; R2-K6 PolarHBondContact O-N 3.31Å; E3-K6 PolarHBondContact O-N 3Å; L4-K6 VanDerWaalsContact C-N 3.34Å; L4-K6 PolarHBondContact O-N 3.49Å; K6-G8 PolarHBondContact O-N 2.93Å
7M97.9Very high98.4Very high51 Ų5155.7 Ų55.725%0.25130%0.3SS..THydrogen-bonded Turntrans-77.4-1.6173.7-68.9167.669.300113.1E3 L4 K5 F9 P142 I145 K146E3-M7 HydrophobicContact CG-SD 4.03Å; E3-M7 WeakPolarHBondContact O-CB 3.36Å; E3-M7 WeakPolarHBondContact O-CG 3.48Å; E3-M7 PolarHBondContact O-N 3.33Å; L4-M7 HydrophobicContact CD2-SD 4.42Å; L4-M7 CarbonylContact O-C 3.59Å; L4-M7 WeakPolarHBondContact O-CB 3.49Å; L4-M7 PolarHBondContact O-N 3.06Å; L4-M7 VanDerWaalsContact O-N 3.13Å; K5-M7 PolarHBondContact O-N 3.4Å; M7-F9 HydrophobicContact CB-CD2 3.91Å; M7-F9 HydrophobicContact CB-CE2 4.01Å; M7-F9 HydrophobicContact CE-CE2 4.21Å; M7-P142 HydrophobicContact SD-CB 4.02Å; M7-I145 HydrophobicContact CE-CB 3.89Å; M7-I145 HydrophobicContact CE-CG2 3.57Å; M7-K146 HydrophobicContact CE-CG 3.86Å; M7-K146 HydrophobicContact SD-CG 4.49Å
8G97.8Very high98.4Very high69 Ų6953.5 Ų53.571%0.71129%0.29SS*.THydrogen-bonded Turntrans92.68.5175.400000115L4 K5 K6L4-G8 PolarHBondContact O-N 2.63Å; K5-G8 WeakPolarHBondContact O-CA 3.49Å; K5-G8 PolarHBondContact O-N 3.13Å; K6-G8 PolarHBondContact O-N 2.93Å
9F98.6Very high98.4Very high49 Ų4951.5 Ų51.522%0.21528%0.283CS..  trans-82.6137.6176.7-66.6-78.5000111.6L4 K5 M7 Y94 I145L4-F9 HydrophobicContact CD2-CD2 4.48Å; L4-F9 PolarHBondContact O-N 2.85Å; L4-F9 VanDerWaalsContact O-N 3.12Å; K5-F9 WeakPolarHBondContact CD-O 3.17Å; M7-F9 HydrophobicContact CB-CD2 3.91Å; M7-F9 HydrophobicContact CB-CE2 4.01Å; M7-F9 HydrophobicContact CE-CE2 4.21Å; F9-Y94 HydrophobicContact CD1-CD2 4.45Å; F9-Y94 AromaticContact CE1-CD2 3.82Å; F9-Y94 HydrophobicContact CE1-CD2 3.82Å; F9-Y94 AromaticContact CE1-CE2 3.65Å; F9-Y94 HydrophobicContact CE1-CE2 3.65Å; F9-Y94 HydrophobicContact CZ-CD2 4.2Å; F9-Y94 AromaticContact CZ-CE2 3.7Å; F9-Y94 HydrophobicContact CZ-CE2 3.7Å; F9-I145 HydrophobicContact CE2-CD1 3.99Å; F9-I145 HydrophobicContact CE2-CG2 4.21Å; F9-I145 HydrophobicContact CZ-CD1 4.12Å; F9-I145 HydrophobicContact CZ-CG2 4.17Å
10A98.7Very high98.4Very high52 Ų5249.1 Ų49.143%0.4327%0.27SS..  trans-66.9144.3157.300000110D49A10-D49 VanDerWaalsContact CA-OD2 3.22Å; A10-D49 WeakPolarHBondContact CA-OD2 3.37Å; A10-D49 HydrophobicContact CB-CB 4.1Å
11L98.9Very high98.4Very high22 Ų2246.7 Ų46.712%0.11526%0.257CS..  trans-113.1112.3175.3-64.6-173.9000109.6M1 L4 K5 V46 L48 D49M1-L11 HydrophobicContact CB-CD1 3.74Å; M1-L11 HydrophobicContact CG-CD1 4.14Å; L4-L11 HydrophobicContact CB-CD2 3.97Å; L4-L11 HydrophobicContact CD1-CD2 4.15Å; K5-L11 HydrophobicContact CD-CB 4.29Å; K5-L11 HydrophobicContact CD-CD1 3.93Å; K5-L11 HydrophobicContact CD-CG 3.74Å; K5-L11 HydrophobicContact CG-CD1 3.56Å; K5-L11 HydrophobicContact CG-CG 3.87Å; L11-V46 HydrophobicContact CD1-CG1 3.92Å; L11-L48 HydrophobicContact CB-CD2 3.79Å; L11-L48 HydrophobicContact CD1-CD2 4.46Å; L11-D49 PolarHBondContact N-OD2 3.44Å; L11-D49 PolarHBondContact O-N 3.14Å
12V98.9Very high98.5Very high43 Ų4347.2 Ų47.226%0.26125%0.254SS..EExtended strand (participates in β ladder)trans-119.8126.8179-175.10000110V14 G50 Y52 A82 L86 I88V12-V14 HydrophobicContact CG1-CG1 4.11Å; V12-G50 CarbonylContact C-O 3.57Å; V12-G50 VanDerWaalsContact CA-O 3.28Å; V12-G50 WeakPolarHBondContact CA-O 3.46Å; V12-Y52 HydrophobicContact CG1-CD2 3.63Å; V12-Y52 HydrophobicContact CG1-CE2 3.89Å; V12-A82 HydrophobicContact CG1-CB 3.81Å; V12-L86 HydrophobicContact CG2-CD1 3.54Å; V12-I88 HydrophobicContact CG2-CD1 4.06Å
13V98.8Very high98.4Very high43 Ų4344.6 Ų44.626%0.26126%0.259SS..EExtended strand (participates in β ladder)trans-85.3127.6170.7175.80000108.8T15 L48 G50 I51 Y52V13-T15 HydrophobicContact CG1-CG2 4.15Å; V13-L48 HydrophobicContact CG2-CD1 3.92Å; V13-L48 HydrophobicContact CG2-CD2 4.4Å; V13-G50 PolarHBondContact N-O 3.24Å; V13-I51 HydrophobicContact CB-CB 4.4Å; V13-I51 HydrophobicContact CB-CG1 4.25Å; V13-I51 HydrophobicContact CB-CG2 4.08Å; V13-I51 HydrophobicContact CG1-CG2 4.18Å; V13-I51 HydrophobicContact CG2-CG1 4.41Å; V13-Y52 PolarHBondContact O-N 3.28Å
14V98.6Very high98.5Very high23 Ų2348.9 Ų48.914%0.13928%0.277CS..EExtended strand (participates in β ladder)trans-127.3101.4174.6-71.50000110.2V12 Y52 K73 M78 L79 M95V12-V14 HydrophobicContact CG1-CG1 4.11Å; V14-Y52 WeakPolarHBondContact CA-O 3.48Å; V14-K73 PolarHBondContact O-NZ 2.71Å; V14-M78 HydrophobicContact CB-CB 4.3Å; V14-M78 HydrophobicContact CB-CE 4.35Å; V14-M78 HydrophobicContact CG1-CB 4Å; V14-L79 HydrophobicContact CG1-CG 4.44Å; V14-M95 HydrophobicContact CG2-CE 3.87Å; V14-M95 HydrophobicContact CG2-SD 3.86Å
15T98.7Very high98.5Very high33 Ų3351.6 Ų51.620%0.20229%0.288CS..EExtended strand (participates in β ladder)trans-127.9133.5-163.9-170.10000114.9V13 Q17 F30 Y52 Y53 C54V13-T15 HydrophobicContact CG1-CG2 4.15Å; T15-Q17 HydrophobicContact CG2-CG 3.94Å; T15-Q17 PolarHBondContact OG1-NE2 2.87Å; T15-Q17 VanDerWaalsContact OG1-NE2 3.07Å; T15-F30 HydrophobicContact CG2-CZ 4.29Å; T15-Y52 PolarHBondContact N-O 2.8Å; T15-Y53 CarbonylContact O-C 3.54Å; T15-Y53 WeakPolarHBondContact O-CA 3.39Å; T15-C54 PolarHBondContact O-N 3.12Å
16N98.5Very high98.5Very high41 Ų4152.6 Ų52.622%0.21930%0.299CS..EExtended strand (participates in β ladder)trans-85.9113.7173.1-822.1000109.3K73N16-K73 PolarHBondContact ND2-O 2.82Å; N16-K73 VanDerWaalsContact ND2-O 3.1Å; N16-K73 PolarHBondContact OD1-N 2.9Å; N16-K73 VanDerWaalsContact OD1-N 3.11Å
17Q98.5Very high98.5Very high50 Ų5047.7 Ų47.723%0.23428%0.279CS..  trans-115.745.1-177.4-67.6-64.3-22.200112.7T15 G19 I20 F30 C54T15-Q17 HydrophobicContact CG2-CG 3.94Å; T15-Q17 PolarHBondContact OG1-NE2 2.87Å; T15-Q17 VanDerWaalsContact OG1-NE2 3.07Å; Q17-G19 PolarHBondContact O-N 3.29Å; Q17-I20 HydrophobicContact CB-CD1 3.98Å; Q17-I20 WeakPolarHBondContact O-CB 3.43Å; Q17-I20 WeakPolarHBondContact O-CG1 3.33Å; Q17-I20 PolarHBondContact O-N 2.95Å; Q17-F30 HydrophobicContact CB-CD2 4.43Å; Q17-F30 HydrophobicContact CB-CE2 4.44Å; Q17-F30 HydrophobicContact CG-CD2 3.85Å; Q17-F30 HydrophobicContact CG-CE2 3.49Å; Q17-F30 VanDerWaalsContact CG-CE2 3.49Å; Q17-F30 HydrophobicContact CG-CZ 4.02Å; Q17-C54 CarbonylContact C-O 3.55Å; Q17-C54 WeakPolarHBondContact CA-O 3.36Å; Q17-C54 PolarHBondContact N-O 2.87Å
18S98.2Very high98.6Very high16 Ų1648 Ų4811%0.11229%0.289CS..THydrogen-bonded Turntrans-67.67.7179.556.60000115.7R22 R72S18-R22 WeakPolarHBondContact O-CB 3.44Å; S18-R22 VanDerWaalsContact O-CG 3.24Å; S18-R22 WeakPolarHBondContact O-CG 3.36Å; S18-R22 PolarHBondContact O-N 3.43Å; S18-R22 PolarHBondContact O-NH1 2.94Å; S18-R22 PolarHBondContact OG-NH1 3.34Å; S18-R72 PolarHBondContact OG-NH1 3.37Å
19G98.5Very high98.6Very high16 Ų1649.9 Ų49.917%0.16528%0.279CS..THydrogen-bonded Turntrans-63.7-31.8161.200000111.6Q17 R22 G23 K24Q17-G19 PolarHBondContact O-N 3.29Å; G19-R22 CarbonylContact O-C 3.57Å; G19-R22 PolarHBondContact O-N 3.3Å; G19-G23 PolarHBondContact O-N 3.38Å; G19-G23 VanDerWaalsContact O-N 3.15Å; G19-K24 WeakPolarHBondContact O-CB 3.16Å; G19-K24 PolarHBondContact O-N 2.94Å
20I98.7Very high98.6Very high2 Ų248.2 Ų48.21%0.0127%0.272CS..THydrogen-bonded Turntrans-62.2-59.3175.6-58.6168.8000110Q17 R22 G23 F25 E27 F30 Y53 P55 V62 F65Q17-I20 HydrophobicContact CB-CD1 3.98Å; Q17-I20 WeakPolarHBondContact O-CB 3.43Å; Q17-I20 WeakPolarHBondContact O-CG1 3.33Å; Q17-I20 PolarHBondContact O-N 2.95Å; I20-R22 PolarHBondContact O-N 3.06Å; I20-R22 VanDerWaalsContact O-N 3.1Å; I20-G23 PolarHBondContact O-N 3.08Å; I20-F25 WeakPolarHBondContact CA-O 3.33Å; I20-F25 HydrophobicContact CD1-CE2 4.19Å; I20-F25 HydrophobicContact CG1-CD2 3.78Å; I20-F25 HydrophobicContact CG1-CE2 3.43Å; I20-F25 VanDerWaalsContact CG1-CE2 3.43Å; I20-F25 HydrophobicContact CG1-CZ 4.34Å; I20-E27 HydrophobicContact CD1-CB 4.46Å; I20-E27 HydrophobicContact CG2-CB 4.11Å; I20-F30 HydrophobicContact CD1-CB 3.93Å; I20-F30 HydrophobicContact CD1-CD1 4.34Å; I20-F30 HydrophobicContact CD1-CG 4.09Å; I20-Y53 HydrophobicContact CD1-CD2 4.44Å; I20-Y53 HydrophobicContact CD1-CE2 4.27Å; I20-P55 HydrophobicContact CB-CB 4.02Å; I20-P55 HydrophobicContact CD1-CB 3.76Å; I20-P55 HydrophobicContact CG1-CB 4.48Å; I20-P55 HydrophobicContact CG2-CB 4Å; I20-V62 WeakPolarHBondContact O-CG2 3.49Å; I20-F65 HydrophobicContact CG2-CD1 4.32Å; I20-F65 HydrophobicContact CG2-CD2 3.53Å; I20-F65 HydrophobicContact CG2-CE1 4.28Å; I20-F65 HydrophobicContact CG2-CE2 3.52Å; I20-F65 HydrophobicContact CG2-CG 3.95Å; I20-F65 HydrophobicContact CG2-CZ 3.91Å
21A98.7Very high98.6Very high0 Ų050.6 Ų50.60%027%0.274CS..THydrogen-bonded Turntrans-57.6-28.8175.100000113.8G23 P55 H57 G60 S61 V62 F65A21-G23 VanDerWaalsContact C-N 3.28Å; A21-G23 PolarHBondContact O-N 3.02Å; A21-P55 WeakPolarHBondContact CB-O 3.34Å; A21-P55 PolarHBondContact N-O 2.96Å; A21-H57 HydrophobicContact CB-CB 3.67Å; A21-G60 CarbonylContact O-C 3.5Å; A21-G60 VanDerWaalsContact O-C 3.32Å; A21-G60 WeakPolarHBondContact O-CA 3.44Å; A21-S61 PolarHBondContact O-N 3.42Å; A21-V62 PolarHBondContact O-N 2.93Å; A21-F65 HydrophobicContact CB-CB 3.71Å
22R98.5Very high98.6Very high94 Ų9454.1 Ų54.136%0.35530%0.297SS..THydrogen-bonded Turntrans-82.51176.4-73.8179.4179.781.5-2.5114S18 G19 I20 K24 H57S18-R22 WeakPolarHBondContact O-CB 3.44Å; S18-R22 VanDerWaalsContact O-CG 3.24Å; S18-R22 WeakPolarHBondContact O-CG 3.36Å; S18-R22 PolarHBondContact O-N 3.43Å; S18-R22 PolarHBondContact O-NH1 2.94Å; S18-R22 PolarHBondContact OG-NH1 3.34Å; G19-R22 CarbonylContact O-C 3.57Å; G19-R22 PolarHBondContact O-N 3.3Å; I20-R22 PolarHBondContact O-N 3.06Å; I20-R22 VanDerWaalsContact O-N 3.1Å; R22-K24 VanDerWaalsContact C-N 3.25Å; R22-K24 HydrophobicContact CB-CG 3.98Å; R22-K24 PolarHBondContact O-N 2.89Å; R22-H57 PolarHBondContact NH2-CD2 3.47Å; R22-H57 VanDerWaalsContact NH2-CD2 3.31Å; R22-H57 PolarHBondContact NH2-CE1 2.71Å; R22-H57 PolarHBondContact NH2-NE2 3.46Å
23G98Very high98.6Very high48 Ų4857 Ų5750%0.49531%0.31SS..THydrogen-bonded Turntrans64.227.2-17800000113.7G19 I20 A21G19-G23 PolarHBondContact O-N 3.38Å; G19-G23 VanDerWaalsContact O-N 3.15Å; I20-G23 PolarHBondContact O-N 3.08Å; A21-G23 VanDerWaalsContact C-N 3.28Å; A21-G23 PolarHBondContact O-N 3.02Å
24K98.6Very high98.6Very high162 Ų16256 Ų5670%0.70430%0.304SS*.SBendtrans-80.6-28177.7-60.6-56.1-176.7-173.40112.6G19 R22G19-K24 WeakPolarHBondContact O-CB 3.16Å; G19-K24 PolarHBondContact O-N 2.94Å; R22-K24 VanDerWaalsContact C-N 3.25Å; R22-K24 HydrophobicContact CB-CG 3.98Å; R22-K24 PolarHBondContact O-N 2.89Å
25F98.6Very high98.6Very high65 Ų6560.7 Ų60.729%0.28532%0.324SS..SBendtrans-160.116117348.4-93.1000107.8I20 Q29 F30I20-F25 WeakPolarHBondContact CA-O 3.33Å; I20-F25 HydrophobicContact CD1-CE2 4.19Å; I20-F25 HydrophobicContact CG1-CD2 3.78Å; I20-F25 HydrophobicContact CG1-CE2 3.43Å; I20-F25 VanDerWaalsContact CG1-CE2 3.43Å; I20-F25 HydrophobicContact CG1-CZ 4.34Å; F25-Q29 VanDerWaalsContact CA-OE1 3.22Å; F25-Q29 HydrophobicContact CB-CB 4.44Å; F25-Q29 VanDerWaalsContact CB-OE1 3.25Å; F25-F30 HydrophobicContact CD2-CB 4.36Å; F25-F30 HydrophobicContact CE2-CB 4.18Å
26T98.6Very high98.6Very high78 Ų7867.1 Ų67.148%0.47935%0.345SS..  trans-84.1162179.666.10000111.5A28 Q29 F30T26-A28 VanDerWaalsContact C-N 3.32Å; T26-Q29 WeakPolarHBondContact O-CB 3.43Å; T26-Q29 PolarHBondContact O-N 3.09Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.28Å; T26-Q29 PolarHBondContact OG1-N 2.89Å; T26-F30 PolarHBondContact O-N 3.12Å
27E98.7Very high98.6Very high45 Ų4568 Ų6821%0.2135%0.349CS..Hα-helixtrans-61-42.9172-174.4163.1-125.300111.3I20 Q29 F30 E31 Y53 F65I20-E27 HydrophobicContact CD1-CB 4.46Å; I20-E27 HydrophobicContact CG2-CB 4.11Å; E27-Q29 VanDerWaalsContact C-N 3.25Å; E27-Q29 PolarHBondContact O-N 2.72Å; E27-F30 CarbonylContact O-C 3.07Å; E27-F30 WeakPolarHBondContact O-CA 3.43Å; E27-F30 WeakPolarHBondContact O-CB 3.38Å; E27-F30 PolarHBondContact O-N 3.21Å; E27-E31 HydrophobicContact CG-CG 4.32Å; E27-E31 WeakPolarHBondContact O-CG 3.22Å; E27-E31 PolarHBondContact O-N 3.03Å; E27-Y53 VanDerWaalsContact CD-OH 3.32Å; E27-Y53 HydrophobicContact CG-CE2 4.41Å; E27-Y53 VanDerWaalsContact OE1-CE2 3.29Å; E27-Y53 WeakPolarHBondContact OE1-CE2 3.47Å; E27-Y53 PolarHBondContact OE1-OH 3.16Å; E27-F65 HydrophobicContact CB-CE2 4.49Å; E27-F65 HydrophobicContact CB-CZ 3.86Å; E27-F65 HydrophobicContact CG-CZ 4.44Å; E27-F65 WeakPolarHBondContact OE2-CE1 3.5Å; E27-F65 WeakPolarHBondContact OE2-CZ 3.36Å
28A98.7Very high98.6Very high56 Ų5668.2 Ų68.246%0.46335%0.351SS..Hα-helixtrans-56.5-36.5175.300000113.5T26 T32T26-A28 VanDerWaalsContact C-N 3.32Å; A28-T32 WeakPolarHBondContact O-CB 3.44Å; A28-T32 PolarHBondContact O-N 2.85Å; A28-T32 PolarHBondContact O-OG1 3.06Å
29Q98.7Very high98.6Very high110 Ų11075.7 Ų75.751%0.51438%0.377SS..Hα-helixtrans-66.8-38.9174-76.2174.3-43.300111.7F25 T26 E27 L33F25-Q29 VanDerWaalsContact CA-OE1 3.22Å; F25-Q29 HydrophobicContact CB-CB 4.44Å; F25-Q29 VanDerWaalsContact CB-OE1 3.25Å; T26-Q29 WeakPolarHBondContact O-CB 3.43Å; T26-Q29 PolarHBondContact O-N 3.09Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.28Å; T26-Q29 PolarHBondContact OG1-N 2.89Å; E27-Q29 VanDerWaalsContact C-N 3.25Å; E27-Q29 PolarHBondContact O-N 2.72Å; Q29-L33 WeakPolarHBondContact O-CB 3.44Å; Q29-L33 PolarHBondContact O-N 3.46Å; Q29-L33 VanDerWaalsContact O-N 3.11Å
30F98.7Very high98.6Very high14 Ų1477.2 Ų77.26%0.06139%0.386CS..Hα-helixtrans-66.8-43.9174.8170.7-96.1000111.8T15 Q17 I20 F25 T26 E27 L33 T34 Y53T15-F30 HydrophobicContact CG2-CZ 4.29Å; Q17-F30 HydrophobicContact CB-CD2 4.43Å; Q17-F30 HydrophobicContact CB-CE2 4.44Å; Q17-F30 HydrophobicContact CG-CD2 3.85Å; Q17-F30 HydrophobicContact CG-CE2 3.49Å; Q17-F30 VanDerWaalsContact CG-CE2 3.49Å; Q17-F30 HydrophobicContact CG-CZ 4.02Å; I20-F30 HydrophobicContact CD1-CB 3.93Å; I20-F30 HydrophobicContact CD1-CD1 4.34Å; I20-F30 HydrophobicContact CD1-CG 4.09Å; F25-F30 HydrophobicContact CD2-CB 4.36Å; F25-F30 HydrophobicContact CE2-CB 4.18Å; T26-F30 PolarHBondContact O-N 3.12Å; E27-F30 CarbonylContact O-C 3.07Å; E27-F30 WeakPolarHBondContact O-CA 3.43Å; E27-F30 WeakPolarHBondContact O-CB 3.38Å; E27-F30 PolarHBondContact O-N 3.21Å; F30-L33 PolarHBondContact O-N 2.67Å; F30-T34 WeakPolarHBondContact CE1-OG1 3.5Å; F30-T34 WeakPolarHBondContact CE2-OG1 3.39Å; F30-T34 WeakPolarHBondContact CZ-OG1 3.21Å; F30-T34 VanDerWaalsContact O-CB 3.31Å; F30-T34 WeakPolarHBondContact O-CB 3.49Å; F30-T34 PolarHBondContact O-N 3.02Å; F30-T34 PolarHBondContact O-OG1 3.22Å; F30-Y53 HydrophobicContact CD1-CD1 4.31Å; F30-Y53 AromaticContact CD1-CD2 3.89Å; F30-Y53 HydrophobicContact CD1-CD2 3.89Å; F30-Y53 HydrophobicContact CD1-CE1 4.27Å; F30-Y53 AromaticContact CD1-CE2 3.87Å; F30-Y53 HydrophobicContact CD1-CE2 3.87Å; F30-Y53 HydrophobicContact CD1-CG 4.13Å; F30-Y53 AromaticContact CE1-CD1 3.37Å; F30-Y53 HydrophobicContact CE1-CD1 3.37Å; F30-Y53 AromaticContact CE1-CD2 3.5Å; F30-Y53 HydrophobicContact CE1-CD2 3.5Å; F30-Y53 AromaticContact CE1-CE1 3.68Å; F30-Y53 HydrophobicContact CE1-CE1 3.68Å; F30-Y53 AromaticContact CE1-CE2 3.82Å; F30-Y53 HydrophobicContact CE1-CE2 3.82Å; F30-Y53 AromaticContact CE1-CG 3.27Å; F30-Y53 HydrophobicContact CE1-CG 3.27Å; F30-Y53 AromaticContact CE1-CZ 3.91Å; F30-Y53 HydrophobicContact CZ-CD1 4.01Å; F30-Y53 HydrophobicContact CZ-CD2 4.13Å; F30-Y53 AromaticContact CZ-CG 3.68Å; F30-Y53 HydrophobicContact CZ-CG 3.68Å
31E98.6Very high98.5Very high102 Ų10278.7 Ų78.748%0.47739%0.393SS..Hα-helixtrans-60.8-46.2176.7-69.3176.1146.900111.1E27 L33 T34 E35E27-E31 HydrophobicContact CG-CG 4.32Å; E27-E31 WeakPolarHBondContact O-CG 3.22Å; E27-E31 PolarHBondContact O-N 3.03Å; E31-L33 VanDerWaalsContact C-N 3.31Å; E31-L33 PolarHBondContact O-N 3.32Å; E31-T34 PolarHBondContact O-N 3.4Å; E31-T34 VanDerWaalsContact O-N 3.08Å; E31-E35 PolarHBondContact O-N 3.47Å
32T98.7Very high98.5Very high96 Ų9680.6 Ų80.659%0.58941%0.409SS*.Hα-helixtrans-57.4-44.6175.7-57.70000111.5A28 T34 W36A28-T32 WeakPolarHBondContact O-CB 3.44Å; A28-T32 PolarHBondContact O-N 2.85Å; A28-T32 PolarHBondContact O-OG1 3.06Å; T32-T34 VanDerWaalsContact C-N 3.33Å; T32-W36 PolarHBondContact O-N 3.41Å; T32-W36 VanDerWaalsContact O-N 3.15Å
33L98.7Very high98.5Very high103 Ų10383 Ų8354%0.53943%0.429SS..Hα-helixtrans-67.4-36.6177.5177.463000111.8Q29 F30 E31 W36 M37Q29-L33 WeakPolarHBondContact O-CB 3.44Å; Q29-L33 PolarHBondContact O-N 3.46Å; Q29-L33 VanDerWaalsContact O-N 3.11Å; F30-L33 PolarHBondContact O-N 2.67Å; E31-L33 VanDerWaalsContact C-N 3.31Å; E31-L33 PolarHBondContact O-N 3.32Å; L33-W36 HydrophobicContact CD1-CE3 3.95Å; L33-W36 HydrophobicContact CD1-CZ3 4.39Å; L33-W36 PolarHBondContact O-N 2.92Å; L33-M37 WeakPolarHBondContact O-CB 3.35Å; L33-M37 PolarHBondContact O-N 2.96Å
34T98.5Very high98.5Very high21 Ų2188.2 Ų88.213%0.12943%0.434CS..Hα-helixtrans-70.7-43.5-178-61.20000111.1F30 E31 T32 W36 M37 D38 I51F30-T34 WeakPolarHBondContact CE1-OG1 3.5Å; F30-T34 WeakPolarHBondContact CE2-OG1 3.39Å; F30-T34 WeakPolarHBondContact CZ-OG1 3.21Å; F30-T34 VanDerWaalsContact O-CB 3.31Å; F30-T34 WeakPolarHBondContact O-CB 3.49Å; F30-T34 PolarHBondContact O-N 3.02Å; F30-T34 PolarHBondContact O-OG1 3.22Å; E31-T34 PolarHBondContact O-N 3.4Å; E31-T34 VanDerWaalsContact O-N 3.08Å; T32-T34 VanDerWaalsContact C-N 3.33Å; T34-W36 VanDerWaalsContact C-N 3.35Å; T34-W36 PolarHBondContact O-N 3.47Å; T34-M37 HydrophobicContact CG2-CE 4.35Å; T34-M37 WeakPolarHBondContact O-CB 3.4Å; T34-M37 PolarHBondContact O-N 3.11Å; T34-D38 WeakPolarHBondContact O-CB 3.4Å; T34-D38 PolarHBondContact O-N 2.9Å; T34-I51 HydrophobicContact CG2-CB 4.47Å; T34-I51 HydrophobicContact CG2-CD1 3.77Å; T34-I51 HydrophobicContact CG2-CG2 3.78Å
35E98.5Very high98.5Very high122 Ų12285.7 Ų85.757%0.5743%0.428SS*.Hα-helixtrans-59.4-46.4172.9-178.9176.2-169.900110.7E31 M37 D38 W39E31-E35 PolarHBondContact O-N 3.47Å; E35-M37 VanDerWaalsContact C-N 3.33Å; E35-M37 PolarHBondContact O-N 3.26Å; E35-D38 PolarHBondContact O-N 3.25Å; E35-W39 VanDerWaalsContact O-CD1 3.23Å; E35-W39 PolarHBondContact O-N 3.23Å
36W98.7Very high98.5Very high168 Ų16882.9 Ų82.964%0.63642%0.416SS*.Hα-helixtrans-59.8-42.5174.6173.483.5000112.6T32 L33 T34 S40T32-W36 PolarHBondContact O-N 3.41Å; T32-W36 VanDerWaalsContact O-N 3.15Å; L33-W36 HydrophobicContact CD1-CE3 3.95Å; L33-W36 HydrophobicContact CD1-CZ3 4.39Å; L33-W36 PolarHBondContact O-N 2.92Å; T34-W36 VanDerWaalsContact C-N 3.35Å; T34-W36 PolarHBondContact O-N 3.47Å; W36-S40 WeakPolarHBondContact O-CB 3.34Å; W36-S40 PolarHBondContact O-N 3.44Å
37M98.6Very high98.4Very high61 Ų6184.1 Ų84.130%0.342%0.42SS..Hα-helixtrans-62.4-44.3177.8178.5-169.370.600111.2L33 T34 E35 S40 L41 L48 I51L33-M37 WeakPolarHBondContact O-CB 3.35Å; L33-M37 PolarHBondContact O-N 2.96Å; T34-M37 HydrophobicContact CG2-CE 4.35Å; T34-M37 WeakPolarHBondContact O-CB 3.4Å; T34-M37 PolarHBondContact O-N 3.11Å; E35-M37 VanDerWaalsContact C-N 3.33Å; E35-M37 PolarHBondContact O-N 3.26Å; M37-S40 PolarHBondContact O-N 3.15Å; M37-L41 HydrophobicContact CG-CD1 4.26Å; M37-L41 WeakPolarHBondContact O-CG 3.37Å; M37-L41 PolarHBondContact O-N 3.49Å; M37-L48 HydrophobicContact CE-CD1 4.3Å; M37-I51 HydrophobicContact CE-CD1 3.81Å
38D98.5Very high98.4Very high53 Ų5382.8 Ų82.828%0.28341%0.414SS..Hα-helixtrans-62-51.4-179.6-167.939.8000111T34 E35 S40 L41 A42 I51T34-D38 WeakPolarHBondContact O-CB 3.4Å; T34-D38 PolarHBondContact O-N 2.9Å; E35-D38 PolarHBondContact O-N 3.25Å; D38-S40 VanDerWaalsContact C-N 3.33Å; D38-S40 PolarHBondContact O-N 3.48Å; D38-L41 PolarHBondContact O-N 3.29Å; D38-L41 VanDerWaalsContact O-N 3.12Å; D38-A42 PolarHBondContact O-N 3.03Å; D38-I51 HydrophobicContact CB-CD1 4.13Å
39W97.9Very high98.4Very high173 Ų17382.7 Ų82.766%0.65541%0.406SS*.Hα-helixtrans-59.7-40.9175.1-80.4109.5000113.3E35 L41 A42 D43E35-W39 VanDerWaalsContact O-CD1 3.23Å; E35-W39 PolarHBondContact O-N 3.23Å; W39-L41 VanDerWaalsContact C-N 3.26Å; W39-L41 PolarHBondContact O-N 3.33Å; W39-A42 PolarHBondContact O-N 3.34Å; W39-D43 WeakPolarHBondContact O-CB 3.41Å; W39-D43 PolarHBondContact O-N 3Å
40S98.6Very high98.4Very high49 Ų4978 Ų7834%0.34339%0.387SS..Hα-helixtrans-62.6-34.1177.8-1770000112.4W36 M37 D38 R44W36-S40 WeakPolarHBondContact O-CB 3.34Å; W36-S40 PolarHBondContact O-N 3.44Å; M37-S40 PolarHBondContact O-N 3.15Å; D38-S40 VanDerWaalsContact C-N 3.33Å; D38-S40 PolarHBondContact O-N 3.48Å; S40-R44 WeakPolarHBondContact O-CG 3.16Å
41L98.5Very high98.4Very high32 Ų3279.6 Ų79.617%0.16840%0.396CS..Hα-helixtrans-76.3-43.3174.4-72175.1000111.7M1 M37 D38 W39 D43 R44 D45 V46 L48M1-L41 HydrophobicContact CE-CD1 4.4Å; M1-L41 HydrophobicContact CE-CD2 3.52Å; M37-L41 HydrophobicContact CG-CD1 4.26Å; M37-L41 WeakPolarHBondContact O-CG 3.37Å; M37-L41 PolarHBondContact O-N 3.49Å; D38-L41 PolarHBondContact O-N 3.29Å; D38-L41 VanDerWaalsContact O-N 3.12Å; W39-L41 VanDerWaalsContact C-N 3.26Å; W39-L41 PolarHBondContact O-N 3.33Å; L41-D43 PolarHBondContact O-N 3.08Å; L41-R44 CarbonylContact O-C 3.53Å; L41-R44 VanDerWaalsContact O-C 3.29Å; L41-R44 WeakPolarHBondContact O-CA 3.45Å; L41-R44 WeakPolarHBondContact O-CB 3.41Å; L41-R44 PolarHBondContact O-N 3.35Å; L41-D45 PolarHBondContact O-N 2.89Å; L41-V46 CarbonylContact C-O 3.29Å; L41-V46 HydrophobicContact CB-CB 4.12Å; L41-V46 HydrophobicContact CB-CG1 4.34Å; L41-V46 WeakPolarHBondContact CB-O 3.4Å; L41-V46 HydrophobicContact CD2-CB 4.44Å; L41-V46 HydrophobicContact CD2-CG1 4.45Å; L41-V46 WeakPolarHBondContact O-CA 3.47Å; L41-V46 WeakPolarHBondContact O-CB 3.38Å; L41-V46 PolarHBondContact O-N 3.25Å; L41-L48 HydrophobicContact CD1-CD1 3.61Å; L41-L48 HydrophobicContact CD1-CD2 4.29Å; L41-L48 HydrophobicContact CD1-CG 3.96Å
42A97.9Very high98.4Very high40 Ų4077.2 Ų77.233%0.33138%0.383SS..Hα-helixtrans-59.4-45.4178.200000111.9D38 W39 R44 D45 V46D38-A42 PolarHBondContact O-N 3.03Å; W39-A42 PolarHBondContact O-N 3.34Å; A42-R44 PolarHBondContact O-N 3.29Å; A42-D45 PolarHBondContact O-N 2.84Å; A42-V46 PolarHBondContact N-O 3.28Å
43D97.8Very high98.4Very high145 Ų14575.6 Ų75.678%0.77537%0.366SS*.THydrogen-bonded Turntrans-57.5-24.1173.7-177.470.1000112.6W39 L41W39-D43 WeakPolarHBondContact O-CB 3.41Å; W39-D43 PolarHBondContact O-N 3Å; L41-D43 PolarHBondContact O-N 3.08Å
44R98.3Very high98.5Very high158 Ų15870.7 Ų70.760%0.59634%0.341SS*.THydrogen-bonded Turntrans-100.522179.3-68.7-86.2-72.9-89.6-5.4112.5R2 S40 L41 A42 V46R2-R44 VanDerWaalsContact CZ-O 3.31Å; R2-R44 PolarHBondContact NE-O 2.88Å; R2-R44 VanDerWaalsContact NE-O 3.08Å; R2-R44 PolarHBondContact NH2-O 3.41Å; S40-R44 WeakPolarHBondContact O-CG 3.16Å; L41-R44 CarbonylContact O-C 3.53Å; L41-R44 VanDerWaalsContact O-C 3.29Å; L41-R44 WeakPolarHBondContact O-CA 3.45Å; L41-R44 WeakPolarHBondContact O-CB 3.41Å; L41-R44 PolarHBondContact O-N 3.35Å; A42-R44 PolarHBondContact O-N 3.29Å; R44-V46 VanDerWaalsContact C-N 3.3Å; R44-V46 PolarHBondContact O-N 3.2Å
45D97.9Very high98.5Very high108 Ų10870.1 Ų70.158%0.57834%0.337SS*.THydrogen-bonded Turntrans60.539.9178-172.347.2000111.9R2 L41 A42R2-D45 WeakPolarHBondContact CD-OD2 3.28Å; R2-D45 WeakPolarHBondContact CG-O 3.35Å; R2-D45 IonicContact NE-OD2 2.85Å; L41-D45 PolarHBondContact O-N 2.89Å; A42-D45 PolarHBondContact O-N 2.84Å
46V98.6Very high98.5Very high7 Ų765.8 Ų65.84%0.04232%0.317CS..  trans-132.494.2173.5-1780000108.4M1 R2 L11 L41 A42 R44M1-V46 HydrophobicContact CB-CG1 3.81Å; M1-V46 HydrophobicContact CB-CG2 4.2Å; R2-V46 HydrophobicContact CB-CG2 3.87Å; L11-V46 HydrophobicContact CD1-CG1 3.92Å; L41-V46 CarbonylContact C-O 3.29Å; L41-V46 HydrophobicContact CB-CB 4.12Å; L41-V46 HydrophobicContact CB-CG1 4.34Å; L41-V46 WeakPolarHBondContact CB-O 3.4Å; L41-V46 HydrophobicContact CD2-CB 4.44Å; L41-V46 HydrophobicContact CD2-CG1 4.45Å; L41-V46 WeakPolarHBondContact O-CA 3.47Å; L41-V46 WeakPolarHBondContact O-CB 3.38Å; L41-V46 PolarHBondContact O-N 3.25Å; A42-V46 PolarHBondContact N-O 3.28Å; R44-V46 VanDerWaalsContact C-N 3.3Å; R44-V46 PolarHBondContact O-N 3.2Å
47D98.2Very high98.5Very high103 Ų10358.8 Ų58.855%0.55129%0.291SS*.  trans-87.2117.7173.1-171.430.9000109.9K5K5-D47 WeakPolarHBondContact CE-O 3.47Å; K5-D47 PolarHBondContact NZ-O 2.99Å
48L98.6Very high98.5Very high17 Ų1758.9 Ų58.99%0.08930%0.297CS..  trans-80.4132.5179-70.8179000109.8L11 V13 M37 L41 G50 I51L11-L48 HydrophobicContact CB-CD2 3.79Å; L11-L48 HydrophobicContact CD1-CD2 4.46Å; V13-L48 HydrophobicContact CG2-CD1 3.92Å; V13-L48 HydrophobicContact CG2-CD2 4.4Å; M37-L48 HydrophobicContact CE-CD1 4.3Å; L41-L48 HydrophobicContact CD1-CD1 3.61Å; L41-L48 HydrophobicContact CD1-CD2 4.29Å; L41-L48 HydrophobicContact CD1-CG 3.96Å; L48-G50 VanDerWaalsContact C-N 3.31Å; L48-I51 HydrophobicContact CD1-CD1 3.78Å; L48-I51 HydrophobicContact CD1-CG1 3.88Å
49D98.7Very high98.4Very high54 Ų5464 Ų6429%0.28932%0.319SS..SBendtrans-80.6-17.7-178.6-54.2-91.2000111.8K5 A10 L11 L86K5-D49 IonicContact NZ-OD1 2.68Å; K5-D49 PolarHBondContact NZ-OD1 3.08Å; K5-D49 IonicContact NZ-OD2 3.82Å; K5-D49 PolarHBondContact NZ-OD2 3.42Å; A10-D49 VanDerWaalsContact CA-OD2 3.22Å; A10-D49 WeakPolarHBondContact CA-OD2 3.37Å; A10-D49 HydrophobicContact CB-CB 4.1Å; L11-D49 PolarHBondContact N-OD2 3.44Å; L11-D49 PolarHBondContact O-N 3.14Å; D49-L86 HydrophobicContact CB-CD1 3.87Å; D49-L86 HydrophobicContact CB-CD2 4.47Å; D49-L86 WeakPolarHBondContact O-CD1 3.29Å; D49-L86 WeakPolarHBondContact O-CD2 3.3Å
50G98.5Very high98.4Very high13 Ų1356.1 Ų56.113%0.13429%0.291CS..EExtended strand (participates in β ladder)trans-175149.7172.800000113.8V12 V13 L48V12-G50 CarbonylContact C-O 3.57Å; V12-G50 VanDerWaalsContact CA-O 3.28Å; V12-G50 WeakPolarHBondContact CA-O 3.46Å; V13-G50 PolarHBondContact N-O 3.24Å; L48-G50 VanDerWaalsContact C-N 3.31Å
51I98.8Very high98.4Very high46 Ų4658.8 Ų58.824%0.23631%0.309CS..EExtended strand (participates in β ladder)trans-127.2113.2173.9-56172.6000108V13 T34 M37 D38 L48V13-I51 HydrophobicContact CB-CB 4.4Å; V13-I51 HydrophobicContact CB-CG1 4.25Å; V13-I51 HydrophobicContact CB-CG2 4.08Å; V13-I51 HydrophobicContact CG1-CG2 4.18Å; V13-I51 HydrophobicContact CG2-CG1 4.41Å; T34-I51 HydrophobicContact CG2-CB 4.47Å; T34-I51 HydrophobicContact CG2-CD1 3.77Å; T34-I51 HydrophobicContact CG2-CG2 3.78Å; M37-I51 HydrophobicContact CE-CD1 3.81Å; D38-I51 HydrophobicContact CB-CD1 4.13Å; L48-I51 HydrophobicContact CD1-CD1 3.78Å; L48-I51 HydrophobicContact CD1-CG1 3.88Å
52Y98.8Very high98.4Very high52 Ų5259.6 Ų59.620%0.20432%0.316CS..EExtended strand (participates in β ladder)trans-116.2133.6177.5-63-98.2000108.8V12 V13 V14 T15 A82 Y85V12-Y52 HydrophobicContact CG1-CD2 3.63Å; V12-Y52 HydrophobicContact CG1-CE2 3.89Å; V13-Y52 PolarHBondContact O-N 3.28Å; V14-Y52 WeakPolarHBondContact CA-O 3.48Å; T15-Y52 PolarHBondContact N-O 2.8Å; Y52-A82 HydrophobicContact CD2-CB 3.98Å; Y52-A82 HydrophobicContact CE2-CB 3.57Å; Y52-Y85 WeakPolarHBondContact OH-CB 3.45Å; Y52-Y85 WeakPolarHBondContact OH-CD1 3.19Å
53Y98.8Very high98.5Very high63 Ų6365.4 Ų65.425%0.24734%0.336CS..EExtended strand (participates in β ladder)trans-135.1152.9177.871.4-79.9000111.5T15 I20 E27 F30 P55 M78T15-Y53 CarbonylContact O-C 3.54Å; T15-Y53 WeakPolarHBondContact O-CA 3.39Å; I20-Y53 HydrophobicContact CD1-CD2 4.44Å; I20-Y53 HydrophobicContact CD1-CE2 4.27Å; E27-Y53 VanDerWaalsContact CD-OH 3.32Å; E27-Y53 HydrophobicContact CG-CE2 4.41Å; E27-Y53 VanDerWaalsContact OE1-CE2 3.29Å; E27-Y53 WeakPolarHBondContact OE1-CE2 3.47Å; E27-Y53 PolarHBondContact OE1-OH 3.16Å; F30-Y53 HydrophobicContact CD1-CD1 4.31Å; F30-Y53 AromaticContact CD1-CD2 3.89Å; F30-Y53 HydrophobicContact CD1-CD2 3.89Å; F30-Y53 HydrophobicContact CD1-CE1 4.27Å; F30-Y53 AromaticContact CD1-CE2 3.87Å; F30-Y53 HydrophobicContact CD1-CE2 3.87Å; F30-Y53 HydrophobicContact CD1-CG 4.13Å; F30-Y53 AromaticContact CE1-CD1 3.37Å; F30-Y53 HydrophobicContact CE1-CD1 3.37Å; F30-Y53 AromaticContact CE1-CD2 3.5Å; F30-Y53 HydrophobicContact CE1-CD2 3.5Å; F30-Y53 AromaticContact CE1-CE1 3.68Å; F30-Y53 HydrophobicContact CE1-CE1 3.68Å; F30-Y53 AromaticContact CE1-CE2 3.82Å; F30-Y53 HydrophobicContact CE1-CE2 3.82Å; F30-Y53 AromaticContact CE1-CG 3.27Å; F30-Y53 HydrophobicContact CE1-CG 3.27Å; F30-Y53 AromaticContact CE1-CZ 3.91Å; F30-Y53 HydrophobicContact CZ-CD1 4.01Å; F30-Y53 HydrophobicContact CZ-CD2 4.13Å; F30-Y53 AromaticContact CZ-CG 3.68Å; F30-Y53 HydrophobicContact CZ-CG 3.68Å; Y53-P55 HydrophobicContact CD2-CB 4.4Å; Y53-P55 HydrophobicContact CD2-CG 4.47Å; Y53-P55 HydrophobicContact CE2-CB 4.13Å; Y53-P55 HydrophobicContact CE2-CG 4.08Å; Y53-M78 VanDerWaalsContact CA-SD 3.54Å
54C98.9Very high98.5Very high0 Ų065.1 Ų65.10%033%0.33CS..EExtended strand (participates in β ladder)trans-112.3109.8172.4170.10000109.9T15 Q17 H56 C71 R72 M78T15-C54 PolarHBondContact O-N 3.12Å; Q17-C54 CarbonylContact C-O 3.55Å; Q17-C54 WeakPolarHBondContact CA-O 3.36Å; Q17-C54 PolarHBondContact N-O 2.87Å; C54-H56 VanDerWaalsContact C-N 3.29Å; C54-H56 PolarHBondContact SG-N 3.05Å; C54-C71 HydrophobicContact CB-CB 4.27Å; C54-C71 VanDerWaalsContact SG-SG 3.6Å; C54-R72 WeakPolarHBondContact SG-CA 3.46Å; C54-R72 WeakPolarHBondContact SG-CB 3.3Å; C54-M78 HydrophobicContact CB-CE 4.25Å; C54-M78 HydrophobicContact CB-SD 4.15Å
55P98.8Very high98.5Very high9 Ų958.3 Ų58.36%0.05831%0.305CS..  trans-78.5-14.9175.831.5-33.9000112.9I20 A21 Y53 F65I20-P55 HydrophobicContact CB-CB 4.02Å; I20-P55 HydrophobicContact CD1-CB 3.76Å; I20-P55 HydrophobicContact CG1-CB 4.48Å; I20-P55 HydrophobicContact CG2-CB 4Å; A21-P55 WeakPolarHBondContact CB-O 3.34Å; A21-P55 PolarHBondContact N-O 2.96Å; Y53-P55 HydrophobicContact CD2-CB 4.4Å; Y53-P55 HydrophobicContact CD2-CG 4.47Å; Y53-P55 HydrophobicContact CE2-CB 4.13Å; Y53-P55 HydrophobicContact CE2-CG 4.08Å; P55-F65 HydrophobicContact CB-CD1 3.6Å; P55-F65 HydrophobicContact CB-CE1 3.97Å; P55-F65 HydrophobicContact CB-CG 4.21Å; P55-F65 HydrophobicContact CG-CD1 3.62Å; P55-F65 HydrophobicContact CG-CE1 3.95Å
56H98.9Very high98.6Very high30 Ų3059.9 Ų59.914%0.13930%0.303CS..  trans-76.4152.6-165.7-51.5124.2000116C54 F65 Q67 C69 C71 R72C54-H56 VanDerWaalsContact C-N 3.29Å; C54-H56 PolarHBondContact SG-N 3.05Å; H56-F65 VanDerWaalsContact CA-O 3.29Å; H56-F65 WeakPolarHBondContact CA-O 3.49Å; H56-Q67 HydrophobicContact CB-CG 3.99Å; H56-Q67 VanDerWaalsContact CD2-CG 3.48Å; H56-Q67 WeakPolarHBondContact CD2-CG 3.41Å; H56-Q67 PolarHBondContact CD2-NE2 3.1Å; H56-Q67 PolarHBondContact NE2-NE2 3.48Å; H56-C69 HydrophobicContact CB-CB 4.35Å; H56-C69 VanDerWaalsContact CB-SG 3.53Å; H56-C69 PolarHBondContact ND1-SG 3.04Å; H56-C69 VanDerWaalsContact ND1-SG 3.41Å; H56-C71 PolarHBondContact ND1-SG 2.87Å; H56-C71 VanDerWaalsContact ND1-SG 3.37Å; H56-R72 PolarHBondContact O-NH1 3.33Å
57H98.5Very high98.6Very high22 Ų2263.6 Ų63.610%0.10232%0.319CS..  trans-152.6135165.4-163.3-92.6000110.5A21 R22 Q59 G60 F65 R66 Q67A21-H57 HydrophobicContact CB-CB 3.67Å; R22-H57 PolarHBondContact NH2-CD2 3.47Å; R22-H57 VanDerWaalsContact NH2-CD2 3.31Å; R22-H57 PolarHBondContact NH2-CE1 2.71Å; R22-H57 PolarHBondContact NH2-NE2 3.46Å; H57-Q59 PolarHBondContact ND1-N 3.3Å; H57-Q59 PolarHBondContact O-N 2.96Å; H57-Q59 VanDerWaalsContact O-N 3.12Å; H57-G60 PolarHBondContact O-N 2.88Å; H57-F65 PolarHBondContact N-O 2.84Å; H57-F65 VanDerWaalsContact N-O 3.11Å; H57-R66 WeakPolarHBondContact O-CA 3.33Å; H57-Q67 CarbonylContact C-O 3.44Å; H57-Q67 PolarHBondContact O-N 3.41Å
58P98.2Very high98.6Very high63 Ų6364.3 Ų64.341%0.40933%0.328SS..THydrogen-bonded Turntrans-62.1-27.3-177.124-34.8000113.3R66 V68P58-R66 WeakPolarHBondContact O-CG 3.37Å; P58-V68 HydrophobicContact CB-CG2 4.09Å
59Q98.3Very high98.6Very high161 Ų16164.3 Ų64.375%0.75233%0.329SS*.THydrogen-bonded Turntrans-107.729175.4-59.8174.7-25.100112.3H57H57-Q59 PolarHBondContact ND1-N 3.3Å; H57-Q59 PolarHBondContact O-N 2.96Å; H57-Q59 VanDerWaalsContact O-N 3.12Å
60G98Very high98.6Very high7 Ų767.7 Ų67.77%0.07235%0.347CS..  trans-56.6149.3173.800000112.5A21 H57 R66A21-G60 CarbonylContact O-C 3.5Å; A21-G60 VanDerWaalsContact O-C 3.32Å; A21-G60 WeakPolarHBondContact O-CA 3.44Å; H57-G60 PolarHBondContact O-N 2.88Å; G60-R66 WeakPolarHBondContact O-CD 3.31Å; G60-R66 WeakPolarHBondContact O-CG 3.35Å
61S98.4Very high98.6Very high104 Ų10468.5 Ų68.573%0.72735%0.35SS*.SBendtrans-88.7-24.2171.6-53.60000112.2A21A21-S61 PolarHBondContact O-N 3.42Å
62V98.5Very high98.5Very high50 Ų5069 Ų6930%0.30335%0.349SS..SBendtrans-89.2116.4173.7-176.30000108.4I20 A21 E64 F65 R66I20-V62 WeakPolarHBondContact O-CG2 3.49Å; A21-V62 PolarHBondContact O-N 2.93Å; V62-E64 HydrophobicContact CG1-CB 4.44Å; V62-E64 PolarHBondContact O-N 2.78Å; V62-F65 HydrophobicContact CB-CD2 4.2Å; V62-F65 HydrophobicContact CG1-CD2 3.72Å; V62-F65 HydrophobicContact CG1-CE2 4.16Å; V62-F65 PolarHBondContact O-N 2.97Å; V62-R66 PolarHBondContact O-N 3.27Å
63E98.5Very high98.5Very high161 Ų16167.2 Ų67.275%0.75234%0.342SS*.G310 helixtrans-56.8-44.7-171.2-175.3174.3-176.600113.2F65 R66E63-F65 PolarHBondContact O-N 3.39Å; E63-F65 VanDerWaalsContact O-N 3.16Å; E63-R66 WeakPolarHBondContact O-CB 3.35Å; E63-R66 PolarHBondContact O-N 3.43Å
64E98.7Very high98.5Very high140 Ų14066.8 Ų66.865%0.65435%0.347SS*.G310 helixtrans-52.3-37.6179.2-178.2172.2-161.700113.3V62V62-E64 HydrophobicContact CG1-CB 4.44Å; V62-E64 PolarHBondContact O-N 2.78Å
65F98.7Very high98.5Very high15 Ų1570.8 Ų70.87%0.06637%0.366CS..G310 helixtrans-104.35.8-177.4-52-72.6000113.3I20 A21 E27 P55 H56 H57 V62 E63 Q67I20-F65 HydrophobicContact CG2-CD1 4.32Å; I20-F65 HydrophobicContact CG2-CD2 3.53Å; I20-F65 HydrophobicContact CG2-CE1 4.28Å; I20-F65 HydrophobicContact CG2-CE2 3.52Å; I20-F65 HydrophobicContact CG2-CG 3.95Å; I20-F65 HydrophobicContact CG2-CZ 3.91Å; A21-F65 HydrophobicContact CB-CB 3.71Å; E27-F65 HydrophobicContact CB-CE2 4.49Å; E27-F65 HydrophobicContact CB-CZ 3.86Å; E27-F65 HydrophobicContact CG-CZ 4.44Å; E27-F65 WeakPolarHBondContact OE2-CE1 3.5Å; E27-F65 WeakPolarHBondContact OE2-CZ 3.36Å; P55-F65 HydrophobicContact CB-CD1 3.6Å; P55-F65 HydrophobicContact CB-CE1 3.97Å; P55-F65 HydrophobicContact CB-CG 4.21Å; P55-F65 HydrophobicContact CG-CD1 3.62Å; P55-F65 HydrophobicContact CG-CE1 3.95Å; H56-F65 VanDerWaalsContact CA-O 3.29Å; H56-F65 WeakPolarHBondContact CA-O 3.49Å; H57-F65 PolarHBondContact N-O 2.84Å; H57-F65 VanDerWaalsContact N-O 3.11Å; V62-F65 HydrophobicContact CB-CD2 4.2Å; V62-F65 HydrophobicContact CG1-CD2 3.72Å; V62-F65 HydrophobicContact CG1-CE2 4.16Å; V62-F65 PolarHBondContact O-N 2.97Å; E63-F65 PolarHBondContact O-N 3.39Å; E63-F65 VanDerWaalsContact O-N 3.16Å; F65-Q67 PolarHBondContact O-N 3.11Å; F65-Q67 VanDerWaalsContact O-N 3.17Å
66R98.7Very high98.5Very high141 Ų14171.6 Ų71.653%0.53237%0.371SS..  trans-86.981.7-178.7-173.9-178.270.4108.5-5.5110.9H57 P58 G60 V62 E63H57-R66 WeakPolarHBondContact O-CA 3.33Å; P58-R66 WeakPolarHBondContact O-CG 3.37Å; G60-R66 WeakPolarHBondContact O-CD 3.31Å; G60-R66 WeakPolarHBondContact O-CG 3.35Å; V62-R66 PolarHBondContact O-N 3.27Å; E63-R66 WeakPolarHBondContact O-CB 3.35Å; E63-R66 PolarHBondContact O-N 3.43Å
67Q98.6Very high98.5Very high84 Ų8470.9 Ų70.939%0.39337%0.372SS..SBendtrans-149.7159.3-178.359.2-177.8-74.600113.1H56 H57 F65H56-Q67 HydrophobicContact CB-CG 3.99Å; H56-Q67 VanDerWaalsContact CD2-CG 3.48Å; H56-Q67 WeakPolarHBondContact CD2-CG 3.41Å; H56-Q67 PolarHBondContact CD2-NE2 3.1Å; H56-Q67 PolarHBondContact NE2-NE2 3.48Å; H57-Q67 CarbonylContact C-O 3.44Å; H57-Q67 PolarHBondContact O-N 3.41Å; F65-Q67 PolarHBondContact O-N 3.11Å; F65-Q67 VanDerWaalsContact O-N 3.17Å
68V98.4Very high98.5Very high119 Ų11970 Ų7072%0.72137%0.368SS*.  trans-80.2137.6159.2178.70000107.1P58P58-V68 HydrophobicContact CB-CG2 4.09Å
69C98.6Very high98.6Very high17 Ų1767.6 Ų67.612%0.11535%0.351CS..  trans-149.3162.5-176.564.10000111H56 R72H56-C69 HydrophobicContact CB-CB 4.35Å; H56-C69 VanDerWaalsContact CB-SG 3.53Å; H56-C69 PolarHBondContact ND1-SG 3.04Å; H56-C69 VanDerWaalsContact ND1-SG 3.41Å; C69-R72 VanDerWaalsContact SG-CB 3.54Å
70D98.2Very high98.6Very high124 Ų12462.4 Ų62.466%0.66333%0.328SS*.SBendtrans-87.5-11.1178.8-60.9-37.8000113.3H75 G77D70-H75 WeakPolarHBondContact O-CB 3.12Å; D70-G77 WeakPolarHBondContact O-CA 3.36Å; D70-G77 PolarHBondContact O-N 3.17Å
71C98.5Very high98.6Very high31 Ų3165 Ų6521%0.20935%0.346CS..SBendtrans-86.7-22.4-179.558.50000113.3C54 H56 K73 M78C54-C71 HydrophobicContact CB-CB 4.27Å; C54-C71 VanDerWaalsContact SG-SG 3.6Å; H56-C71 PolarHBondContact ND1-SG 2.87Å; H56-C71 VanDerWaalsContact ND1-SG 3.37Å; C71-K73 PolarHBondContact O-N 3.12Å; C71-M78 HydrophobicContact CB-CG 3.86Å; C71-M78 VanDerWaalsContact O-CE 3.31Å; C71-M78 WeakPolarHBondContact O-CE 3.2Å; C71-M78 WeakPolarHBondContact O-CG 3.29Å
72R98.7Very high98.6Very high57 Ų5760.2 Ų60.222%0.21531%0.312CS..SBendtrans-72.3114.3178.7-174.6175.717473.68.7110.5S18 C54 H56 C69 H75S18-R72 PolarHBondContact OG-NH1 3.37Å; C54-R72 WeakPolarHBondContact SG-CA 3.46Å; C54-R72 WeakPolarHBondContact SG-CB 3.3Å; H56-R72 PolarHBondContact O-NH1 3.33Å; C69-R72 VanDerWaalsContact SG-CB 3.54Å; R72-H75 WeakPolarHBondContact O-CB 3.21Å; R72-H75 PolarHBondContact O-N 3.48Å; R72-H75 PolarHBondContact O-ND1 3.17Å
73K98.7Very high98.7Very high14 Ų1462 Ų626%0.06131%0.314CS..THydrogen-bonded Turntrans-54129.6170.2-60.6178.5-69.9-176.30109.2V14 N16 C71 M78 M95 E101 D102 A105V14-K73 PolarHBondContact O-NZ 2.71Å; N16-K73 PolarHBondContact ND2-O 2.82Å; N16-K73 VanDerWaalsContact ND2-O 3.1Å; N16-K73 PolarHBondContact OD1-N 2.9Å; N16-K73 VanDerWaalsContact OD1-N 3.11Å; C71-K73 PolarHBondContact O-N 3.12Å; K73-M78 HydrophobicContact CD-CE 4.14Å; K73-M78 HydrophobicContact CG-CE 3.91Å; K73-M95 HydrophobicContact CD-CE 4.06Å; K73-E101 HydrophobicContact CB-CB 4.18Å; K73-D102 WeakPolarHBondContact CE-OD1 3.36Å; K73-D102 IonicContact NZ-OD1 2.63Å; K73-D102 PolarHBondContact NZ-OD1 2.75Å; K73-A105 HydrophobicContact CB-CB 4.08Å; K73-A105 HydrophobicContact CD-CB 4.13Å; K73-A105 HydrophobicContact CG-CB 3.72Å
74P98.6Very high98.7Very high54 Ų5458.9 Ų58.935%0.35130%0.302SS..THydrogen-bonded Turncis-86.71.426.234.6-38.1000116.9E101 Q104 A105P74-E101 HydrophobicContact CB-CB 4.13Å; P74-Q104 HydrophobicContact CB-CB 3.67Å; P74-Q104 VanDerWaalsContact CB-OE1 3.3Å; P74-A105 VanDerWaalsContact O-CA 3.25Å; P74-A105 WeakPolarHBondContact O-CA 3.37Å; P74-A105 PolarHBondContact O-N 2.85Å
75H98.8Very high98.7Very high83 Ų8360.3 Ų60.338%0.38430%0.302SS..SBendtrans-67.3143.1173-56.995.3000111.2D70 R72 G77D70-H75 WeakPolarHBondContact O-CB 3.12Å; R72-H75 WeakPolarHBondContact O-CB 3.21Å; R72-H75 PolarHBondContact O-N 3.48Å; R72-H75 PolarHBondContact O-ND1 3.17Å; H75-G77 VanDerWaalsContact C-N 3.29Å; H75-G77 PolarHBondContact O-N 3.19Å
76P98.8Very high98.7Very high27 Ų2762.1 Ų62.118%0.17531%0.312CS..  trans-83.52.2-172.934.4-37.5000113.9M78 L79 L80 A108 A109P76-M78 VanDerWaalsContact C-N 3.31Å; P76-M78 PolarHBondContact O-N 2.93Å; P76-M78 VanDerWaalsContact O-N 3.13Å; P76-L79 WeakPolarHBondContact O-CA 3.35Å; P76-L79 WeakPolarHBondContact O-CB 3.34Å; P76-L79 PolarHBondContact O-N 2.89Å; P76-L80 HydrophobicContact CB-CD1 4.22Å; P76-L80 HydrophobicContact CB-CG 4.07Å; P76-L80 HydrophobicContact CG-CD1 3.85Å; P76-L80 HydrophobicContact CG-CG 4.27Å; P76-L80 PolarHBondContact O-N 2.77Å; P76-A108 HydrophobicContact CB-CB 3.94Å; P76-A108 HydrophobicContact CG-CB 3.89Å; P76-A109 HydrophobicContact CB-CB 3.82Å
77G98.8Very high98.6Very high14 Ų1463.4 Ų63.414%0.14432%0.324CS..Hα-helixtrans-52.8-43-165.500000114.2D70 H75 L79 L80 S81D70-G77 WeakPolarHBondContact O-CA 3.36Å; D70-G77 PolarHBondContact O-N 3.17Å; H75-G77 VanDerWaalsContact C-N 3.29Å; H75-G77 PolarHBondContact O-N 3.19Å; G77-L79 VanDerWaalsContact C-N 3.34Å; G77-L79 PolarHBondContact O-N 2.63Å; G77-L80 PolarHBondContact O-N 3.14Å; G77-S81 WeakPolarHBondContact O-CB 3.39Å; G77-S81 PolarHBondContact O-N 2.8Å; G77-S81 PolarHBondContact O-OG 3.13Å; G77-S81 VanDerWaalsContact O-OG 3.04Å
78M98.8Very high98.6Very high5 Ų561.1 Ų61.13%0.02531%0.314CS..Hα-helixtrans-61.9-40.3176.2-68.7-169.5-71.400112.9V14 Y53 C54 C71 K73 P76 A82V14-M78 HydrophobicContact CB-CB 4.3Å; V14-M78 HydrophobicContact CB-CE 4.35Å; V14-M78 HydrophobicContact CG1-CB 4Å; Y53-M78 VanDerWaalsContact CA-SD 3.54Å; C54-M78 HydrophobicContact CB-CE 4.25Å; C54-M78 HydrophobicContact CB-SD 4.15Å; C71-M78 HydrophobicContact CB-CG 3.86Å; C71-M78 VanDerWaalsContact O-CE 3.31Å; C71-M78 WeakPolarHBondContact O-CE 3.2Å; C71-M78 WeakPolarHBondContact O-CG 3.29Å; K73-M78 HydrophobicContact CD-CE 4.14Å; K73-M78 HydrophobicContact CG-CE 3.91Å; P76-M78 VanDerWaalsContact C-N 3.31Å; P76-M78 PolarHBondContact O-N 2.93Å; P76-M78 VanDerWaalsContact O-N 3.13Å; M78-A82 WeakPolarHBondContact O-CB 3.46Å; M78-A82 PolarHBondContact O-N 2.8Å
79L98.9Very high98.7Very high12 Ų1260.4 Ų60.46%0.06331%0.306CS..Hα-helixtrans-69.7-39.7178.5-66.691.6000111V14 P76 G77 A82 R83 M90 M95 A105 A109 V111V14-L79 HydrophobicContact CG1-CG 4.44Å; P76-L79 WeakPolarHBondContact O-CA 3.35Å; P76-L79 WeakPolarHBondContact O-CB 3.34Å; P76-L79 PolarHBondContact O-N 2.89Å; G77-L79 VanDerWaalsContact C-N 3.34Å; G77-L79 PolarHBondContact O-N 2.63Å; L79-A82 PolarHBondContact O-N 3.41Å; L79-R83 WeakPolarHBondContact O-CB 3.31Å; L79-R83 PolarHBondContact O-N 3.37Å; L79-M90 HydrophobicContact CB-CE 4.03Å; L79-M90 HydrophobicContact CD2-CE 4.34Å; L79-M95 HydrophobicContact CD2-SD 4.2Å; L79-A105 HydrophobicContact CD1-CB 3.92Å; L79-A109 HydrophobicContact CB-CB 3.72Å; L79-A109 HydrophobicContact CD2-CB 4.03Å; L79-A109 HydrophobicContact CG-CB 4.4Å; L79-V111 HydrophobicContact CD2-CG2 3.61Å
80L98.8Very high98.7Very high51 Ų5160.4 Ų60.427%0.26731%0.305SS..Hα-helixtrans-65.6-42.7176.6-60.8-179.1000111.5P76 G77 A82 R83 D84 A109P76-L80 HydrophobicContact CB-CD1 4.22Å; P76-L80 HydrophobicContact CB-CG 4.07Å; P76-L80 HydrophobicContact CG-CD1 3.85Å; P76-L80 HydrophobicContact CG-CG 4.27Å; P76-L80 PolarHBondContact O-N 2.77Å; G77-L80 PolarHBondContact O-N 3.14Å; L80-A82 PolarHBondContact O-N 2.86Å; L80-R83 WeakPolarHBondContact O-CB 3.46Å; L80-R83 PolarHBondContact O-N 2.95Å; L80-D84 VanDerWaalsContact O-CG 3.22Å; L80-D84 PolarHBondContact O-N 3.18Å; L80-A109 HydrophobicContact CD2-CB 4.15Å
81S98.8Very high98.7Very high63 Ų6358.1 Ų58.144%0.44130%0.303SS..Hα-helixtrans-61-43.5174.6-62.10000112.1G77 D84 Y85G77-S81 WeakPolarHBondContact O-CB 3.39Å; G77-S81 PolarHBondContact O-N 2.8Å; G77-S81 PolarHBondContact O-OG 3.13Å; G77-S81 VanDerWaalsContact O-OG 3.04Å; S81-D84 PolarHBondContact O-N 2.71Å; S81-Y85 WeakPolarHBondContact O-CB 3.45Å; S81-Y85 PolarHBondContact O-N 3.44Å
82A98.7Very high98.7Very high2 Ų259.3 Ų59.32%0.01732%0.315CS..Hα-helixtrans-62.9-42.7175.400000112V12 Y52 M78 L79 L80 D84 Y85 L86 I88V12-A82 HydrophobicContact CG1-CB 3.81Å; Y52-A82 HydrophobicContact CD2-CB 3.98Å; Y52-A82 HydrophobicContact CE2-CB 3.57Å; M78-A82 WeakPolarHBondContact O-CB 3.46Å; M78-A82 PolarHBondContact O-N 2.8Å; L79-A82 PolarHBondContact O-N 3.41Å; L80-A82 PolarHBondContact O-N 2.86Å; A82-D84 VanDerWaalsContact C-N 3.35Å; A82-D84 PolarHBondContact O-N 3.49Å; A82-Y85 PolarHBondContact O-N 3.42Å; A82-L86 WeakPolarHBondContact O-CB 3.45Å; A82-L86 PolarHBondContact O-N 3.04Å; A82-I88 HydrophobicContact CB-CD1 4.06Å
83R98.7Very high98.7Very high89 Ų8957.8 Ų57.834%0.33631%0.313SS..Hα-helixtrans-56.5-49.7175.8-177.4-162.467-167.9-4.8111.5L79 L80 H87 I88 M90L79-R83 WeakPolarHBondContact O-CB 3.31Å; L79-R83 PolarHBondContact O-N 3.37Å; L80-R83 WeakPolarHBondContact O-CB 3.46Å; L80-R83 PolarHBondContact O-N 2.95Å; R83-H87 WeakPolarHBondContact O-CA 3.34Å; R83-H87 PolarHBondContact O-N 2.93Å; R83-I88 HydrophobicContact CB-CB 4.44Å; R83-I88 HydrophobicContact CG-CB 4.39Å; R83-I88 WeakPolarHBondContact CG-O 3.46Å; R83-I88 PolarHBondContact O-N 3.23Å; R83-I88 VanDerWaalsContact O-N 3.11Å; R83-M90 HydrophobicContact CB-CG 4.25Å; R83-M90 HydrophobicContact CB-SD 3.79Å; R83-M90 HydrophobicContact CG-CG 3.74Å; R83-M90 HydrophobicContact CG-SD 3.88Å
84D98.7Very high98.7Very high94 Ų9459.9 Ų59.950%0.50332%0.321SS..Hα-helixtrans-71-36.6-173.9-64-14.1000111.3L80 S81 A82L80-D84 VanDerWaalsContact O-CG 3.22Å; L80-D84 PolarHBondContact O-N 3.18Å; S81-D84 PolarHBondContact O-N 2.71Å; A82-D84 VanDerWaalsContact C-N 3.35Å; A82-D84 PolarHBondContact O-N 3.49Å
85Y98.7Very high98.7Very high171 Ų17157.8 Ų57.867%0.67131%0.307SS*.Hα-helixtrans-73.1-43.6178.3-177.3-108.9000113.3Y52 S81 A82Y52-Y85 WeakPolarHBondContact OH-CB 3.45Å; Y52-Y85 WeakPolarHBondContact OH-CD1 3.19Å; S81-Y85 WeakPolarHBondContact O-CB 3.45Å; S81-Y85 PolarHBondContact O-N 3.44Å; A82-Y85 PolarHBondContact O-N 3.42Å
86L98.5Very high98.7Very high53 Ų5356.1 Ų56.128%0.27730%0.302SS..Hα-helixtrans-100.42.3-174.4-60.5171.8000113.6V12 D49 A82 I88V12-L86 HydrophobicContact CG2-CD1 3.54Å; D49-L86 HydrophobicContact CB-CD1 3.87Å; D49-L86 HydrophobicContact CB-CD2 4.47Å; D49-L86 WeakPolarHBondContact O-CD1 3.29Å; D49-L86 WeakPolarHBondContact O-CD2 3.3Å; A82-L86 WeakPolarHBondContact O-CB 3.45Å; A82-L86 PolarHBondContact O-N 3.04Å; L86-I88 VanDerWaalsContact C-N 3.34Å; L86-I88 HydrophobicContact CB-CD1 4.11Å; L86-I88 HydrophobicContact CB-CG1 3.7Å; L86-I88 HydrophobicContact CD1-CD1 4.17Å; L86-I88 PolarHBondContact O-N 3.46Å
87H98.4Very high98.7Very high168 Ų16855.2 Ų55.278%0.77830%0.298SS*.THydrogen-bonded Turntrans53.247.7-175.4-55.5-55000113.1R83R83-H87 WeakPolarHBondContact O-CA 3.34Å; R83-H87 PolarHBondContact O-N 2.93Å
88I98.6Very high98.7Very high36 Ų3656 Ų5619%0.18530%0.299CS..  trans-74.4133.6-173.8-52.7178.7000111.1V12 A82 R83 L86 M90 S93V12-I88 HydrophobicContact CG2-CD1 4.06Å; A82-I88 HydrophobicContact CB-CD1 4.06Å; R83-I88 HydrophobicContact CB-CB 4.44Å; R83-I88 HydrophobicContact CG-CB 4.39Å; R83-I88 WeakPolarHBondContact CG-O 3.46Å; R83-I88 PolarHBondContact O-N 3.23Å; R83-I88 VanDerWaalsContact O-N 3.11Å; L86-I88 VanDerWaalsContact C-N 3.34Å; L86-I88 HydrophobicContact CB-CD1 4.11Å; L86-I88 HydrophobicContact CB-CG1 3.7Å; L86-I88 HydrophobicContact CD1-CD1 4.17Å; L86-I88 PolarHBondContact O-N 3.46Å; I88-M90 HydrophobicContact CB-SD 4.18Å; I88-M90 HydrophobicContact CG2-SD 3.94Å; I88-M90 PolarHBondContact O-N 3.35Å; I88-S93 WeakPolarHBondContact CG2-OG 3.37Å
89D98.7Very high98.6Very high103 Ų10359.4 Ų59.455%0.55131%0.314SS*.  trans-77.3100.8162.4-176.4-12.5000109.9A91 A92 S93D89-A91 VanDerWaalsContact C-N 3.32Å; D89-A91 PolarHBondContact O-N 2.68Å; D89-A91 PolarHBondContact OD1-N 2.91Å; D89-A92 HydrophobicContact CB-CB 4.11Å; D89-A92 PolarHBondContact O-N 3.11Å; D89-A92 PolarHBondContact OD1-N 3.25Å; D89-S93 WeakPolarHBondContact O-CB 3.45Å; D89-S93 PolarHBondContact O-N 3.26Å; D89-S93 PolarHBondContact O-OG 3.39Å
90M98.7Very high98.6Very high18 Ų1861 Ų619%0.08932%0.322CS..SBendtrans-64.9-35.9-178.3-59.6-57.5-79.400112.4L79 R83 I88 A92 S93 A109 N110 V111 G112L79-M90 HydrophobicContact CB-CE 4.03Å; L79-M90 HydrophobicContact CD2-CE 4.34Å; R83-M90 HydrophobicContact CB-CG 4.25Å; R83-M90 HydrophobicContact CB-SD 3.79Å; R83-M90 HydrophobicContact CG-CG 3.74Å; R83-M90 HydrophobicContact CG-SD 3.88Å; I88-M90 HydrophobicContact CB-SD 4.18Å; I88-M90 HydrophobicContact CG2-SD 3.94Å; I88-M90 PolarHBondContact O-N 3.35Å; M90-A92 PolarHBondContact O-N 3.17Å; M90-S93 WeakPolarHBondContact O-CB 3.5Å; M90-S93 PolarHBondContact O-N 3.19Å; M90-A109 HydrophobicContact CE-CB 3.67Å; M90-A109 WeakPolarHBondContact CE-O 3.33Å; M90-N110 CarbonylContact C-O 3.32Å; M90-N110 VanDerWaalsContact C-O 3.29Å; M90-N110 WeakPolarHBondContact CB-O 3.36Å; M90-V111 HydrophobicContact CE-CG2 3.5Å; M90-V111 VanDerWaalsContact CE-CG2 3.5Å; M90-V111 CarbonylContact O-C 3.51Å; M90-V111 VanDerWaalsContact O-CA 3.3Å; M90-V111 WeakPolarHBondContact O-CA 3.44Å; M90-G112 PolarHBondContact O-N 2.95Å
91A98.6Very high98.6Very high75 Ų7562.1 Ų62.162%0.6233%0.326SS*.THydrogen-bonded Turntrans-69.5-26.4-178.500000111.9D89 G112D89-A91 VanDerWaalsContact C-N 3.32Å; D89-A91 PolarHBondContact O-N 2.68Å; D89-A91 PolarHBondContact OD1-N 2.91Å; A91-G112 WeakPolarHBondContact O-CA 3.49Å
92A98.2Very high98.6Very high56 Ų5659.5 Ų59.546%0.46331%0.307SS..THydrogen-bonded Turntrans-90.12172.500000113.9D89 M90D89-A92 HydrophobicContact CB-CB 4.11Å; D89-A92 PolarHBondContact O-N 3.11Å; D89-A92 PolarHBondContact OD1-N 3.25Å; M90-A92 PolarHBondContact O-N 3.17Å
93S98.7Very high98.6Very high25 Ų2559.5 Ų59.518%0.17531%0.306CS..  trans-98.3162.6-173.2-69.10000113.9I88 D89 M90 V111 G112 T113I88-S93 WeakPolarHBondContact CG2-OG 3.37Å; D89-S93 WeakPolarHBondContact O-CB 3.45Å; D89-S93 PolarHBondContact O-N 3.26Å; D89-S93 PolarHBondContact O-OG 3.39Å; M90-S93 WeakPolarHBondContact O-CB 3.5Å; M90-S93 PolarHBondContact O-N 3.19Å; S93-V111 VanDerWaalsContact O-CG1 3.3Å; S93-V111 WeakPolarHBondContact O-CG1 3.4Å; S93-G112 PolarHBondContact O-N 3.2Å; S93-T113 PolarHBondContact O-N 3.07Å; S93-T113 VanDerWaalsContact O-N 3.1Å
94Y98.8Very high98.6Very high59 Ų5959.1 Ų59.123%0.23131%0.309CS..EExtended strand (participates in β ladder)trans-119.1134.1178-63.7-93.8000110.8F9 T113 V115 W133 L141 I145F9-Y94 HydrophobicContact CD1-CD2 4.45Å; F9-Y94 AromaticContact CE1-CD2 3.82Å; F9-Y94 HydrophobicContact CE1-CD2 3.82Å; F9-Y94 AromaticContact CE1-CE2 3.65Å; F9-Y94 HydrophobicContact CE1-CE2 3.65Å; F9-Y94 HydrophobicContact CZ-CD2 4.2Å; F9-Y94 AromaticContact CZ-CE2 3.7Å; F9-Y94 HydrophobicContact CZ-CE2 3.7Å; Y94-T113 CarbonylContact C-O 3.59Å; Y94-T113 VanDerWaalsContact CA-O 3.29Å; Y94-T113 WeakPolarHBondContact CA-O 3.49Å; Y94-T113 VanDerWaalsContact CD1-CB 3.41Å; Y94-T113 HydrophobicContact CD1-CG2 3.67Å; Y94-T113 VanDerWaalsContact CE1-CB 3.44Å; Y94-T113 HydrophobicContact CE1-CG2 3.66Å; Y94-V115 HydrophobicContact CD1-CG2 4.22Å; Y94-W133 HydrophobicContact CD1-CH2 4.3Å; Y94-W133 HydrophobicContact CD1-CZ3 4.21Å; Y94-W133 AromaticContact CE1-CH2 3.41Å; Y94-W133 HydrophobicContact CE1-CH2 3.41Å; Y94-W133 VanDerWaalsContact CE1-CH2 3.41Å; Y94-W133 HydrophobicContact CE1-CZ2 4.13Å; Y94-W133 AromaticContact CE1-CZ3 3.74Å; Y94-W133 HydrophobicContact CE1-CZ3 3.74Å; Y94-L141 HydrophobicContact CD1-CD1 4.48Å; Y94-I145 HydrophobicContact CD2-CD1 3.99Å; Y94-I145 HydrophobicContact CE1-CD1 4.35Å; Y94-I145 HydrophobicContact CE1-CG1 4.01Å; Y94-I145 HydrophobicContact CE2-CD1 3.77Å; Y94-I145 HydrophobicContact CE2-CG1 4.07Å; Y94-I145 HydrophobicContact CG-CD1 4.37Å
95M98.9Very high98.6Very high9 Ų954.7 Ų54.74%0.04429%0.285CS..EExtended strand (participates in β ladder)trans-100.4130164.3177.571.117100108.6V14 K73 L79 D102 M103 A106 V111 T113 V115V14-M95 HydrophobicContact CG2-CE 3.87Å; V14-M95 HydrophobicContact CG2-SD 3.86Å; K73-M95 HydrophobicContact CD-CE 4.06Å; L79-M95 HydrophobicContact CD2-SD 4.2Å; M95-D102 HydrophobicContact CE-CB 3.62Å; M95-M103 HydrophobicContact CG-CE 4Å; M95-A106 HydrophobicContact CB-CB 3.39Å; M95-A106 HydrophobicContact CG-CB 3.67Å; M95-V111 HydrophobicContact CB-CG1 4.05Å; M95-T113 PolarHBondContact N-O 2.94Å; M95-V115 WeakPolarHBondContact O-CA 3.37Å; M95-V115 WeakPolarHBondContact O-CB 3.48Å; M95-V115 PolarHBondContact O-N 3.06Å
96V98.9Very high98.6Very high48 Ų4846.5 Ų46.529%0.29125%0.253SS..EExtended strand (participates in β ladder)trans-118.2122.5174.4-168.60000109.1V115 V117 L138 L141V96-V115 WeakPolarHBondContact CA-O 3.34Å; V96-V115 HydrophobicContact CG2-CB 4.34Å; V96-V117 HydrophobicContact CG1-CG1 3.65Å; V96-V117 HydrophobicContact CG1-CG2 4.45Å; V96-L138 HydrophobicContact CB-CD1 4.45Å; V96-L138 HydrophobicContact CG1-CD1 4.12Å; V96-L138 HydrophobicContact CG2-CD1 4.14Å; V96-L141 HydrophobicContact CG2-CD2 3.58Å
97G98.6Very high98.6Very high9 Ų946.5 Ų46.59%0.09326%0.26CS..EExtended strand (participates in β ladder)trans-151.4-179.4-17800000113.1D102 V115 L116 V117G97-D102 WeakPolarHBondContact CA-OD2 3.01Å; G97-V115 PolarHBondContact N-O 3.15Å; G97-L116 CarbonylContact O-C 3.29Å; G97-L116 WeakPolarHBondContact O-CA 3.46Å; G97-V117 WeakPolarHBondContact O-CG2 3.16Å; G97-V117 PolarHBondContact O-N 3.31Å
98D98.5Very high98.6Very high31 Ų3141.3 Ų41.317%0.16625%0.247CC..SBendtrans-122.4-0.818072.9-43.3000113.1D102 G120 K121D98-D102 PolarHBondContact N-OD2 2.99Å; D98-G120 WeakPolarHBondContact OD2-CA 3.48Å; D98-K121 WeakPolarHBondContact OD2-CG 3.24Å; D98-K121 PolarHBondContact OD2-N 3.16Å
99K97.6Very high98.6Very high76 Ų7639.7 Ų39.733%0.3324%0.239SC..SBendtrans-133.2163.5-176.5-56.5173.8-165.864.60112.8E101 D102 K121K99-E101 VanDerWaalsContact C-N 3.28Å; K99-E101 WeakPolarHBondContact CB-OE2 3.46Å; K99-E101 WeakPolarHBondContact CD-OE2 3.49Å; K99-E101 PolarHBondContact O-N 2.92Å; K99-D102 PolarHBondContact N-OD2 2.82Å; K99-D102 VanDerWaalsContact N-OD2 3.08Å; K99-D102 WeakPolarHBondContact O-CB 3.37Å; K99-D102 PolarHBondContact O-N 2.9Å; K99-K121 HydrophobicContact CG-CB 4.45Å; K99-K121 HydrophobicContact CG-CG 4.27Å
100L98.5Very high98.6Very high45 Ų4540.9 Ų40.924%0.23625%0.245CC..Hα-helixtrans-56.4-41.2173.1174.560.9000112.1D102 M103 Q104 E126 A127 A130L100-D102 PolarHBondContact O-N 3.08Å; L100-M103 PolarHBondContact O-N 2.88Å; L100-Q104 HydrophobicContact CD1-CG 3.93Å; L100-Q104 HydrophobicContact CG-CG 4.13Å; L100-Q104 WeakPolarHBondContact O-CG 3.22Å; L100-Q104 PolarHBondContact O-N 3.09Å; L100-E126 HydrophobicContact CD1-CB 4.4Å; L100-E126 HydrophobicContact CD2-CB 3.94Å; L100-A127 HydrophobicContact CB-CB 3.97Å; L100-A130 HydrophobicContact CD1-CB 3.77Å
101E98.3Very high98.6Very high75 Ų7540.5 Ų40.535%0.3524%0.244SC..Hα-helixtrans-64.5-26.8-175.9-53.190.5176.800112.2K73 P74 K99 A105K73-E101 HydrophobicContact CB-CB 4.18Å; P74-E101 HydrophobicContact CB-CB 4.13Å; K99-E101 VanDerWaalsContact C-N 3.28Å; K99-E101 WeakPolarHBondContact CB-OE2 3.46Å; K99-E101 WeakPolarHBondContact CD-OE2 3.49Å; K99-E101 PolarHBondContact O-N 2.92Å; E101-A105 WeakPolarHBondContact O-CB 3.38Å; E101-A105 PolarHBondContact O-N 2.82Å
102D98.7Very high98.6Very high8 Ų838.6 Ų38.64%0.04323%0.231CC..Hα-helixtrans-66.1-45.5174.3-61.2-42.6000111.1K73 M95 G97 D98 K99 L100 A105 A106K73-D102 WeakPolarHBondContact CE-OD1 3.36Å; K73-D102 IonicContact NZ-OD1 2.63Å; K73-D102 PolarHBondContact NZ-OD1 2.75Å; M95-D102 HydrophobicContact CE-CB 3.62Å; G97-D102 WeakPolarHBondContact CA-OD2 3.01Å; D98-D102 PolarHBondContact N-OD2 2.99Å; K99-D102 PolarHBondContact N-OD2 2.82Å; K99-D102 VanDerWaalsContact N-OD2 3.08Å; K99-D102 WeakPolarHBondContact O-CB 3.37Å; K99-D102 PolarHBondContact O-N 2.9Å; L100-D102 PolarHBondContact O-N 3.08Å; D102-A105 PolarHBondContact O-N 3.03Å; D102-A106 WeakPolarHBondContact O-CB 3.33Å; D102-A106 PolarHBondContact O-N 2.99Å
103M98.8Very high98.6Very high1 Ų137 Ų371%0.00522%0.215CC..Hα-helixtrans-69.4-38.1-179-55.5-59.992.200111.2M95 L100 A106 A107 K114 L116 A130 A131M95-M103 HydrophobicContact CG-CE 4Å; L100-M103 PolarHBondContact O-N 2.88Å; M103-A106 PolarHBondContact O-N 3.4Å; M103-A107 WeakPolarHBondContact O-CB 3.36Å; M103-A107 PolarHBondContact O-N 3.46Å; M103-K114 HydrophobicContact SD-CB 3.67Å; M103-L116 HydrophobicContact CE-CD2 4.26Å; M103-L116 HydrophobicContact CG-CD2 4.09Å; M103-L116 HydrophobicContact CG-CG 4.15Å; M103-L116 HydrophobicContact SD-CD2 4.13Å; M103-L116 HydrophobicContact SD-CG 3.9Å; M103-A130 HydrophobicContact CB-CB 3.67Å; M103-A130 HydrophobicContact CG-CB 4.36Å; M103-A131 HydrophobicContact CG-CB 4.23Å; M103-A131 HydrophobicContact SD-CB 3.77Å
104Q98.8Very high98.6Very high82 Ų8237.4 Ų37.438%0.38321%0.214SC..Hα-helixtrans-64.9-44.9175.2-70.9176.3-32.200112P74 L100 A106 A107 A108P74-Q104 HydrophobicContact CB-CB 3.67Å; P74-Q104 VanDerWaalsContact CB-OE1 3.3Å; L100-Q104 HydrophobicContact CD1-CG 3.93Å; L100-Q104 HydrophobicContact CG-CG 4.13Å; L100-Q104 WeakPolarHBondContact O-CG 3.22Å; L100-Q104 PolarHBondContact O-N 3.09Å; Q104-A106 VanDerWaalsContact C-N 3.31Å; Q104-A106 PolarHBondContact O-N 3.46Å; Q104-A107 PolarHBondContact O-N 3.03Å; Q104-A108 WeakPolarHBondContact O-CB 3.25Å; Q104-A108 PolarHBondContact O-N 3.26Å
105A98.8Very high98.6Very high0 Ų034.6 Ų34.60%020%0.203CC..Hα-helixtrans-62.7-39.8176.600000111.8K73 P74 L79 E101 D102 A108 A109K73-A105 HydrophobicContact CB-CB 4.08Å; K73-A105 HydrophobicContact CD-CB 4.13Å; K73-A105 HydrophobicContact CG-CB 3.72Å; P74-A105 VanDerWaalsContact O-CA 3.25Å; P74-A105 WeakPolarHBondContact O-CA 3.37Å; P74-A105 PolarHBondContact O-N 2.85Å; L79-A105 HydrophobicContact CD1-CB 3.92Å; E101-A105 WeakPolarHBondContact O-CB 3.38Å; E101-A105 PolarHBondContact O-N 2.82Å; D102-A105 PolarHBondContact O-N 3.03Å; A105-A108 PolarHBondContact O-N 3.37Å; A105-A109 WeakPolarHBondContact O-CB 3.39Å; A105-A109 PolarHBondContact O-N 3.41Å
106A98.8Very high98.6Very high0 Ų034.1 Ų34.10%020%0.201CC..Hα-helixtrans-63.6-46.5175.700000112.7M95 D102 M103 Q104 A108 A109 N110 V111 K114M95-A106 HydrophobicContact CB-CB 3.39Å; M95-A106 HydrophobicContact CG-CB 3.67Å; D102-A106 WeakPolarHBondContact O-CB 3.33Å; D102-A106 PolarHBondContact O-N 2.99Å; M103-A106 PolarHBondContact O-N 3.4Å; Q104-A106 VanDerWaalsContact C-N 3.31Å; Q104-A106 PolarHBondContact O-N 3.46Å; A106-A108 PolarHBondContact O-N 3.24Å; A106-A109 CarbonylContact O-C 3.55Å; A106-A109 PolarHBondContact O-N 2.64Å; A106-N110 PolarHBondContact O-N 3.11Å; A106-V111 HydrophobicContact CB-CB 3.94Å; A106-V111 HydrophobicContact CB-CG2 4.08Å; A106-V111 WeakPolarHBondContact O-CB 2.95Å; A106-V111 PolarHBondContact O-N 3.03Å; A106-K114 HydrophobicContact CB-CD 4.37Å; A106-K114 HydrophobicContact CB-CG 3.85Å
107A98.7Very high98.6Very high53 Ų5332.4 Ų32.444%0.43819%0.19SC..Hα-helixtrans-60.1-46.2175.800000111.4M103 Q104 A109 N110 K114M103-A107 WeakPolarHBondContact O-CB 3.36Å; M103-A107 PolarHBondContact O-N 3.46Å; Q104-A107 PolarHBondContact O-N 3.03Å; A107-A109 PolarHBondContact O-N 3.19Å; A107-N110 PolarHBondContact O-N 3.24Å; A107-N110 VanDerWaalsContact O-N 3.11Å; A107-K114 HydrophobicContact CB-CD 4.13Å
108A98.7Very high98.6Very high59 Ų5938 Ų3849%0.48821%0.209SC..Hα-helixtrans-65.1-23.1178.300000113.5P76 Q104 A105 A106P76-A108 HydrophobicContact CB-CB 3.94Å; P76-A108 HydrophobicContact CG-CB 3.89Å; Q104-A108 WeakPolarHBondContact O-CB 3.25Å; Q104-A108 PolarHBondContact O-N 3.26Å; A105-A108 PolarHBondContact O-N 3.37Å; A106-A108 PolarHBondContact O-N 3.24Å
109A98.7Very high98.6Very high2 Ų241.3 Ų41.32%0.01723%0.23CC..THydrogen-bonded Turntrans-94.86.2176.500000113.9P76 L79 L80 M90 A105 A106 A107 V111P76-A109 HydrophobicContact CB-CB 3.82Å; L79-A109 HydrophobicContact CB-CB 3.72Å; L79-A109 HydrophobicContact CD2-CB 4.03Å; L79-A109 HydrophobicContact CG-CB 4.4Å; L80-A109 HydrophobicContact CD2-CB 4.15Å; M90-A109 HydrophobicContact CE-CB 3.67Å; M90-A109 WeakPolarHBondContact CE-O 3.33Å; A105-A109 WeakPolarHBondContact O-CB 3.39Å; A105-A109 PolarHBondContact O-N 3.41Å; A106-A109 CarbonylContact O-C 3.55Å; A106-A109 PolarHBondContact O-N 2.64Å; A107-A109 PolarHBondContact O-N 3.19Å; A109-V111 VanDerWaalsContact C-N 3.28Å; A109-V111 HydrophobicContact CB-CG2 4.26Å; A109-V111 PolarHBondContact O-N 3.07Å
110N98.7Very high98.6Very high128 Ų12839.8 Ų39.868%0.68424%0.236SC*.THydrogen-bonded Turntrans56.934.8-174-68.9-27.6000114.2M90 A106 A107 G112M90-N110 CarbonylContact C-O 3.32Å; M90-N110 VanDerWaalsContact C-O 3.29Å; M90-N110 WeakPolarHBondContact CB-O 3.36Å; A106-N110 PolarHBondContact O-N 3.11Å; A107-N110 PolarHBondContact O-N 3.24Å; A107-N110 VanDerWaalsContact O-N 3.11Å; N110-G112 PolarHBondContact O-N 3.47Å
111V98.8Very high98.4Very high10 Ų1043.7 Ų43.76%0.06125%0.251CS..  trans-67.6127.6171.6-179.80000109.6L79 M90 S93 M95 A106 A109 T113L79-V111 HydrophobicContact CD2-CG2 3.61Å; M90-V111 HydrophobicContact CE-CG2 3.5Å; M90-V111 VanDerWaalsContact CE-CG2 3.5Å; M90-V111 CarbonylContact O-C 3.51Å; M90-V111 VanDerWaalsContact O-CA 3.3Å; M90-V111 WeakPolarHBondContact O-CA 3.44Å; S93-V111 VanDerWaalsContact O-CG1 3.3Å; S93-V111 WeakPolarHBondContact O-CG1 3.4Å; M95-V111 HydrophobicContact CB-CG1 4.05Å; A106-V111 HydrophobicContact CB-CB 3.94Å; A106-V111 HydrophobicContact CB-CG2 4.08Å; A106-V111 WeakPolarHBondContact O-CB 2.95Å; A106-V111 PolarHBondContact O-N 3.03Å; A109-V111 VanDerWaalsContact C-N 3.28Å; A109-V111 HydrophobicContact CB-CG2 4.26Å; A109-V111 PolarHBondContact O-N 3.07Å; V111-T113 PolarHBondContact O-N 3.04Å
112G98.5Very high98.4Very high35 Ų3545.6 Ų45.636%0.36127%0.27SS..SBendtrans-64.6-37.6-17200000114.7M90 A91 S93 N110M90-G112 PolarHBondContact O-N 2.95Å; A91-G112 WeakPolarHBondContact O-CA 3.49Å; S93-G112 PolarHBondContact O-N 3.2Å; N110-G112 PolarHBondContact O-N 3.47Å
113T98.7Very high98.4Very high21 Ų2147.4 Ų47.413%0.12928%0.279CS..EExtended strand (participates in β ladder)trans-133.7128.3178.6-55.80000112.4S93 Y94 M95 V111 V115 D132 W133S93-T113 PolarHBondContact O-N 3.07Å; S93-T113 VanDerWaalsContact O-N 3.1Å; Y94-T113 CarbonylContact C-O 3.59Å; Y94-T113 VanDerWaalsContact CA-O 3.29Å; Y94-T113 WeakPolarHBondContact CA-O 3.49Å; Y94-T113 VanDerWaalsContact CD1-CB 3.41Å; Y94-T113 HydrophobicContact CD1-CG2 3.67Å; Y94-T113 VanDerWaalsContact CE1-CB 3.44Å; Y94-T113 HydrophobicContact CE1-CG2 3.66Å; M95-T113 PolarHBondContact N-O 2.94Å; V111-T113 PolarHBondContact O-N 3.04Å; T113-V115 HydrophobicContact CG2-CG2 3.97Å; T113-D132 WeakPolarHBondContact CA-OD2 3.47Å; T113-D132 HydrophobicContact CG2-CB 4.1Å; T113-W133 HydrophobicContact CG2-CD2 3.98Å; T113-W133 HydrophobicContact CG2-CE3 4.26Å; T113-W133 HydrophobicContact CG2-CH2 4.15Å; T113-W133 HydrophobicContact CG2-CZ2 3.74Å; T113-W133 HydrophobicContact CG2-CZ3 4.39Å
114K98.8Very high98.3Very high34 Ų3450.1 Ų50.115%0.14830%0.296CS..EExtended strand (participates in β ladder)trans-106.1118-176.8-61.1170.6-59.5-55.60108.5M103 A106 A107 A130 D132 W133M103-K114 HydrophobicContact SD-CB 3.67Å; A106-K114 HydrophobicContact CB-CD 4.37Å; A106-K114 HydrophobicContact CB-CG 3.85Å; A107-K114 HydrophobicContact CB-CD 4.13Å; K114-A130 WeakPolarHBondContact CD-O 3.4Å; K114-A130 WeakPolarHBondContact CE-O 3.49Å; K114-D132 WeakPolarHBondContact CB-OD2 3.47Å; K114-D132 PolarHBondContact N-OD2 2.86Å; K114-D132 IonicContact NZ-OD1 2.64Å; K114-D132 PolarHBondContact NZ-OD1 2.98Å; K114-D132 IonicContact NZ-OD2 2.91Å; K114-D132 PolarHBondContact NZ-OD2 3.24Å; K114-D132 PolarHBondContact O-N 3.28Å; K114-W133 PolarHBondContact O-N 3.11Å; K114-W133 VanDerWaalsContact O-N 3.14Å
115V98.8Very high98.3Very high0 Ų050.3 Ų50.30%030%0.304CS..EExtended strand (participates in β ladder)trans-121.5120.9-171.4-174.30000109.9Y94 M95 V96 G97 T113 W133 L135 L141Y94-V115 HydrophobicContact CD1-CG2 4.22Å; M95-V115 WeakPolarHBondContact O-CA 3.37Å; M95-V115 WeakPolarHBondContact O-CB 3.48Å; M95-V115 PolarHBondContact O-N 3.06Å; V96-V115 WeakPolarHBondContact CA-O 3.34Å; V96-V115 HydrophobicContact CG2-CB 4.34Å; G97-V115 PolarHBondContact N-O 3.15Å; T113-V115 HydrophobicContact CG2-CG2 3.97Å; V115-W133 WeakPolarHBondContact CA-O 3.48Å; V115-W133 HydrophobicContact CG1-CB 4.37Å; V115-W133 HydrophobicContact CG2-CB 4.44Å; V115-W133 HydrophobicContact CG2-CD2 4.39Å; V115-W133 HydrophobicContact CG2-CE3 3.87Å; V115-W133 HydrophobicContact CG2-CZ3 4.5Å; V115-L135 HydrophobicContact CG1-CB 4.47Å; V115-L135 HydrophobicContact CG1-CD1 3.76Å; V115-L135 HydrophobicContact CG1-CG 3.82Å; V115-L141 HydrophobicContact CG1-CD1 4.49Å; V115-L141 HydrophobicContact CG2-CD1 4.23Å
116L98.8Very high98.3Very high0 Ų055.4 Ų55.40%033%0.328CS..EExtended strand (participates in β ladder)trans-90.3147.7166.5-77.1173.1000111.5G97 M103 I123 A127 A131 W133 V134 L135G97-L116 CarbonylContact O-C 3.29Å; G97-L116 WeakPolarHBondContact O-CA 3.46Å; M103-L116 HydrophobicContact CE-CD2 4.26Å; M103-L116 HydrophobicContact CG-CD2 4.09Å; M103-L116 HydrophobicContact CG-CG 4.15Å; M103-L116 HydrophobicContact SD-CD2 4.13Å; M103-L116 HydrophobicContact SD-CG 3.9Å; L116-I123 HydrophobicContact CB-CD1 4.06Å; L116-I123 HydrophobicContact CD1-CD1 4.43Å; L116-I123 HydrophobicContact CD1-CG2 3.91Å; L116-A127 VanDerWaalsContact CD1-C 3.45Å; L116-A127 HydrophobicContact CD1-CB 3.81Å; L116-A127 WeakPolarHBondContact CD1-O 3.08Å; L116-A131 HydrophobicContact CB-CB 4.37Å; L116-A131 HydrophobicContact CD1-CB 3.77Å; L116-A131 HydrophobicContact CG-CB 3.81Å; L116-W133 PolarHBondContact N-O 2.84Å; L116-V134 HydrophobicContact CB-CG1 4.09Å; L116-V134 HydrophobicContact CB-CG2 4.35Å; L116-V134 CarbonylContact O-C 3.53Å; L116-V134 WeakPolarHBondContact O-CA 3.35Å; L116-L135 PolarHBondContact O-N 2.95Å
117V98.7Very high98.2Very high11 Ų1155.5 Ų55.57%0.06733%0.328CS..EExtended strand (participates in β ladder)trans-122.7148171.7-65.70000111.8V96 G97 T119 L135V96-V117 HydrophobicContact CG1-CG1 3.65Å; V96-V117 HydrophobicContact CG1-CG2 4.45Å; G97-V117 WeakPolarHBondContact O-CG2 3.16Å; G97-V117 PolarHBondContact O-N 3.31Å; V117-T119 VanDerWaalsContact C-N 3.28Å; V117-T119 WeakPolarHBondContact CG2-OG1 3.46Å; V117-T119 PolarHBondContact O-N 3.23Å; V117-L135 WeakPolarHBondContact CA-O 3.29Å; V117-L135 HydrophobicContact CG1-CB 4.45Å
118R98.5Very high98.2Very high127 Ų12757.7 Ų57.748%0.47933%0.33SS..THydrogen-bonded Turntrans-86.611-179.3-64.3177.9179.778.63.3114.4I123 V134 L135 N136R118-I123 HydrophobicContact CG-CD1 3.87Å; R118-V134 VanDerWaalsContact CZ-CG1 3.47Å; R118-V134 PolarHBondContact NH1-O 3.1Å; R118-V134 VanDerWaalsContact NH2-CG1 3.32Å; R118-L135 PolarHBondContact N-O 3.48Å; R118-L135 VanDerWaalsContact N-O 3.16Å; R118-L135 PolarHBondContact NH1-O 3.29Å; R118-L135 VanDerWaalsContact NH1-O 3.09Å; R118-N136 PolarHBondContact N-O 3.15Å
119T98.1Very high98.1Very high101 Ų10161.6 Ų61.662%0.6234%0.342SS*.THydrogen-bonded Turntrans-90.9-7.3-177.545.80000113.9V117V117-T119 VanDerWaalsContact C-N 3.28Å; V117-T119 WeakPolarHBondContact CG2-OG1 3.46Å; V117-T119 PolarHBondContact O-N 3.23Å
120G97Very high98.1Very high43 Ų4362.9 Ų62.944%0.44335%0.353SS..SBendtrans-111.1-133-178.600000113D98D98-G120 WeakPolarHBondContact OD2-CA 3.48Å
121K95.1Very high98.1Very high128 Ų12857.6 Ų57.656%0.55733%0.327SS*.SBendtrans-62.5154.8174.6-65.8-60.9-177.3-179.20111.7D98 K99 I123D98-K121 WeakPolarHBondContact OD2-CG 3.24Å; D98-K121 PolarHBondContact OD2-N 3.16Å; K99-K121 HydrophobicContact CG-CB 4.45Å; K99-K121 HydrophobicContact CG-CG 4.27Å; K121-I123 PolarHBondContact O-N 2.99Å
122P97.7Very high98.1Very high114 Ų11461 Ų6174%0.7434%0.344SS*.PPolyproline II helixtrans-54.3130.5168.3-23.934.1000110.5T124P122-T124 PolarHBondContact O-N 3.24Å
123I97.8Very high98.1Very high47 Ų4761.3 Ų61.324%0.24134%0.335CS..PPolyproline II helixtrans-68.7127.1177.4-65.1179.3000108.5L116 R118 K121 E128 V134L116-I123 HydrophobicContact CB-CD1 4.06Å; L116-I123 HydrophobicContact CD1-CD1 4.43Å; L116-I123 HydrophobicContact CD1-CG2 3.91Å; R118-I123 HydrophobicContact CG-CD1 3.87Å; K121-I123 PolarHBondContact O-N 2.99Å; I123-E128 HydrophobicContact CG2-CB 3.99Å; I123-V134 HydrophobicContact CD1-CG1 3.25Å
124T98Very high98.1Very high58 Ų5862 Ų6236%0.35634%0.339SS..PPolyproline II helixtrans-91.1155.9173.781.50000110.3P122 E126 A127 E128P122-T124 PolarHBondContact O-N 3.24Å; T124-E126 WeakPolarHBondContact CB-OE2 3.44Å; T124-E126 PolarHBondContact O-N 2.87Å; T124-E126 PolarHBondContact OG1-OE2 2.77Å; T124-A127 PolarHBondContact O-N 3.06Å; T124-A127 VanDerWaalsContact O-N 3.11Å; T124-A127 PolarHBondContact OG1-N 3.35Å; T124-E128 PolarHBondContact O-N 3.19Å
125P98.2Very high98.1Very high85 Ų8561.7 Ų61.755%0.55234%0.339SS*.Hα-helixtrans-56.2-35.9175.8-25.935.6000113.1E128 N129P125-E128 PolarHBondContact O-N 3.17Å; P125-N129 WeakPolarHBondContact O-CB 3.41Å; P125-N129 PolarHBondContact O-N 3.35Å; P125-N129 PolarHBondContact O-ND2 3Å
126E98.2Very high98.1Very high108 Ų10866.6 Ų66.651%0.50537%0.365SS..Hα-helixtrans-66.8-41.8177.7-54.975.9-164.300111.5L100 T124 N129 A130L100-E126 HydrophobicContact CD1-CB 4.4Å; L100-E126 HydrophobicContact CD2-CB 3.94Å; T124-E126 WeakPolarHBondContact CB-OE2 3.44Å; T124-E126 PolarHBondContact O-N 2.87Å; T124-E126 PolarHBondContact OG1-OE2 2.77Å; E126-N129 PolarHBondContact O-N 3.1Å; E126-A130 PolarHBondContact O-N 3.37Å; E126-A130 VanDerWaalsContact O-N 3.16Å
127A97.9Very high98.1Very high1 Ų168 Ų681%0.00837%0.374CS..Hα-helixtrans-64.5-43.8176.300000110.8L100 L116 T124 A130 A131L100-A127 HydrophobicContact CB-CB 3.97Å; L116-A127 VanDerWaalsContact CD1-C 3.45Å; L116-A127 HydrophobicContact CD1-CB 3.81Å; L116-A127 WeakPolarHBondContact CD1-O 3.08Å; T124-A127 PolarHBondContact O-N 3.06Å; T124-A127 VanDerWaalsContact O-N 3.11Å; T124-A127 PolarHBondContact OG1-N 3.35Å; A127-A130 PolarHBondContact O-N 3.04Å; A127-A130 VanDerWaalsContact O-N 3.14Å; A127-A131 PolarHBondContact O-N 3.16Å
128E97.7Very high98.1Very high100 Ų10070.4 Ų70.447%0.46739%0.387SS..Hα-helixtrans-61.3-43.2177.5-173.7162.7-15100111.9I123 T124 P125 A130 A131 V134I123-E128 HydrophobicContact CG2-CB 3.99Å; T124-E128 PolarHBondContact O-N 3.19Å; P125-E128 PolarHBondContact O-N 3.17Å; E128-A130 PolarHBondContact O-N 3.11Å; E128-A131 PolarHBondContact O-N 3.2Å; E128-A131 VanDerWaalsContact O-N 3.15Å; E128-V134 HydrophobicContact CG-CG2 4.11Å
129N98.2Very high98.1Very high141 Ų14168.2 Ų68.275%0.75440%0.396SS*.Hα-helixtrans-63.8-26.5175.1-71.7-25.9000113.7P125 E126P125-N129 WeakPolarHBondContact O-CB 3.41Å; P125-N129 PolarHBondContact O-N 3.35Å; P125-N129 PolarHBondContact O-ND2 3Å; E126-N129 PolarHBondContact O-N 3.1Å
130A98.3Very high98.1Very high28 Ų2866.3 Ų66.323%0.23138%0.382CS..Hα-helixtrans-88.3-8178.200000113.2L100 M103 K114 E126 A127 E128L100-A130 HydrophobicContact CD1-CB 3.77Å; M103-A130 HydrophobicContact CB-CB 3.67Å; M103-A130 HydrophobicContact CG-CB 4.36Å; K114-A130 WeakPolarHBondContact CD-O 3.4Å; K114-A130 WeakPolarHBondContact CE-O 3.49Å; E126-A130 PolarHBondContact O-N 3.37Å; E126-A130 VanDerWaalsContact O-N 3.16Å; A127-A130 PolarHBondContact O-N 3.04Å; A127-A130 VanDerWaalsContact O-N 3.14Å; E128-A130 PolarHBondContact O-N 3.11Å
131A98.5Very high98.2Very high17 Ų1764.5 Ų64.514%0.1436%0.362CS..  trans-100.5150.9-178.600000111.6M103 L116 A127 E128M103-A131 HydrophobicContact CG-CB 4.23Å; M103-A131 HydrophobicContact SD-CB 3.77Å; L116-A131 HydrophobicContact CB-CB 4.37Å; L116-A131 HydrophobicContact CD1-CB 3.77Å; L116-A131 HydrophobicContact CG-CB 3.81Å; A127-A131 PolarHBondContact O-N 3.16Å; E128-A131 PolarHBondContact O-N 3.2Å; E128-A131 VanDerWaalsContact O-N 3.15Å
132D98.6Very high98.3Very high81 Ų8159.1 Ų59.143%0.43334%0.34SS..SBendtrans-86.8-40.5171-52.2-58.7000110.1T113 K114T113-D132 WeakPolarHBondContact CA-OD2 3.47Å; T113-D132 HydrophobicContact CG2-CB 4.1Å; K114-D132 WeakPolarHBondContact CB-OD2 3.47Å; K114-D132 PolarHBondContact N-OD2 2.86Å; K114-D132 IonicContact NZ-OD1 2.64Å; K114-D132 PolarHBondContact NZ-OD1 2.98Å; K114-D132 IonicContact NZ-OD2 2.91Å; K114-D132 PolarHBondContact NZ-OD2 3.24Å; K114-D132 PolarHBondContact O-N 3.28Å
133W98.6Very high98.3Very high43 Ų4359.3 Ų59.316%0.16333%0.331CS..EExtended strand (participates in β ladder)trans-126.7151.8177.7-52.8-20.4000112.4Y94 T113 K114 V115 L116 L141 A144 I145 Q148Y94-W133 HydrophobicContact CD1-CH2 4.3Å; Y94-W133 HydrophobicContact CD1-CZ3 4.21Å; Y94-W133 AromaticContact CE1-CH2 3.41Å; Y94-W133 HydrophobicContact CE1-CH2 3.41Å; Y94-W133 VanDerWaalsContact CE1-CH2 3.41Å; Y94-W133 HydrophobicContact CE1-CZ2 4.13Å; Y94-W133 AromaticContact CE1-CZ3 3.74Å; Y94-W133 HydrophobicContact CE1-CZ3 3.74Å; T113-W133 HydrophobicContact CG2-CD2 3.98Å; T113-W133 HydrophobicContact CG2-CE3 4.26Å; T113-W133 HydrophobicContact CG2-CH2 4.15Å; T113-W133 HydrophobicContact CG2-CZ2 3.74Å; T113-W133 HydrophobicContact CG2-CZ3 4.39Å; K114-W133 PolarHBondContact O-N 3.11Å; K114-W133 VanDerWaalsContact O-N 3.14Å; V115-W133 WeakPolarHBondContact CA-O 3.48Å; V115-W133 HydrophobicContact CG1-CB 4.37Å; V115-W133 HydrophobicContact CG2-CB 4.44Å; V115-W133 HydrophobicContact CG2-CD2 4.39Å; V115-W133 HydrophobicContact CG2-CE3 3.87Å; V115-W133 HydrophobicContact CG2-CZ3 4.5Å; L116-W133 PolarHBondContact N-O 2.84Å; W133-L141 HydrophobicContact CE3-CD1 4.31Å; W133-L141 HydrophobicContact CZ3-CD1 3.99Å; W133-A144 HydrophobicContact CE3-CB 4.03Å; W133-A144 HydrophobicContact CZ3-CB 3.81Å; W133-I145 HydrophobicContact CH2-CG1 4.33Å; W133-I145 HydrophobicContact CZ3-CG1 4.18Å; W133-Q148 HydrophobicContact CH2-CG 4.19Å; W133-Q148 HydrophobicContact CZ2-CG 3.95Å
134V98.5Very high98.3Very high34 Ų3458 Ų5821%0.20633%0.328CS..EExtended strand (participates in β ladder)trans-126.9104.8170-166.60000110.3L116 R118 I123 E128L116-V134 HydrophobicContact CB-CG1 4.09Å; L116-V134 HydrophobicContact CB-CG2 4.35Å; L116-V134 CarbonylContact O-C 3.53Å; L116-V134 WeakPolarHBondContact O-CA 3.35Å; R118-V134 VanDerWaalsContact CZ-CG1 3.47Å; R118-V134 PolarHBondContact NH1-O 3.1Å; R118-V134 VanDerWaalsContact NH2-CG1 3.32Å; I123-V134 HydrophobicContact CD1-CG1 3.25Å; E128-V134 HydrophobicContact CG-CG2 4.11Å
135L98.6Very high98.3Very high28 Ų2855.3 Ų55.315%0.14731%0.311CS..EExtended strand (participates in β ladder)trans-98162.9-178.2-56.4-176000111.7V115 L116 V117 R118 D140 L141 A144V115-L135 HydrophobicContact CG1-CB 4.47Å; V115-L135 HydrophobicContact CG1-CD1 3.76Å; V115-L135 HydrophobicContact CG1-CG 3.82Å; L116-L135 PolarHBondContact O-N 2.95Å; V117-L135 WeakPolarHBondContact CA-O 3.29Å; V117-L135 HydrophobicContact CG1-CB 4.45Å; R118-L135 PolarHBondContact N-O 3.48Å; R118-L135 VanDerWaalsContact N-O 3.16Å; R118-L135 PolarHBondContact NH1-O 3.29Å; R118-L135 VanDerWaalsContact NH1-O 3.09Å; L135-D140 HydrophobicContact CB-CB 4.3Å; L135-D140 HydrophobicContact CD1-CB 4.28Å; L135-L141 HydrophobicContact CD1-CB 4.1Å; L135-L141 HydrophobicContact CD1-CD1 3.98Å; L135-A144 HydrophobicContact CD1-CB 4.07Å; L135-A144 HydrophobicContact CD2-CB 4.17Å
136N98.5Very high98.3Very high104 Ų10455 Ų5556%0.55630%0.301SS*.SBendtrans-69.5-45174.1-67.4-33.6000110R118 D140R118-N136 PolarHBondContact N-O 3.15Å; N136-D140 WeakPolarHBondContact CB-OD2 3.17Å; N136-D140 PolarHBondContact N-OD2 3.48Å
137S98.6Very high98.1Very high28 Ų2857.2 Ų57.220%0.19631%0.309CS..  trans-151171-17971.40000112.2A139 D140S137-A139 PolarHBondContact O-N 3.18Å; S137-A139 WeakPolarHBondContact OG-CB 3.45Å; S137-A139 PolarHBondContact OG-N 3.43Å; S137-D140 PolarHBondContact N-OD2 2.89Å; S137-D140 PolarHBondContact O-N 3.16Å; S137-D140 VanDerWaalsContact O-N 3.17Å; S137-D140 PolarHBondContact OG-OD2 2.97Å; S137-D140 VanDerWaalsContact OG-OD2 3.12Å
138L98.6Very high97.6Very high62 Ų6262.8 Ų62.833%0.32534%0.335SS..G310 helixtrans-59.2-24169.9178.364.1000112.5M1 L4 V96 D140 L141M1-L138 HydrophobicContact CG-CD2 3.99Å; M1-L138 HydrophobicContact SD-CD2 4.23Å; L4-L138 HydrophobicContact CD1-CD1 4.46Å; V96-L138 HydrophobicContact CB-CD1 4.45Å; V96-L138 HydrophobicContact CG1-CD1 4.12Å; V96-L138 HydrophobicContact CG2-CD1 4.14Å; L138-D140 PolarHBondContact O-N 3.14Å; L138-L141 HydrophobicContact CD1-CB 4.32Å; L138-L141 HydrophobicContact CD1-CD2 3.84Å; L138-L141 WeakPolarHBondContact O-CB 3.01Å; L138-L141 PolarHBondContact O-N 3.34Å
139A98.5Very high96.5Very high82 Ų8264.5 Ų64.568%0.67834%0.343SS*.G310 helixtrans-65.3-23.8178.800000112.9S137 P142S137-A139 PolarHBondContact O-N 3.18Å; S137-A139 WeakPolarHBondContact OG-CB 3.45Å; S137-A139 PolarHBondContact OG-N 3.43Å; A139-P142 WeakPolarHBondContact O-CD 3.33Å
140D98.6Very high94.5Very high60 Ų6065.8 Ų65.832%0.32134%0.342SS..G310 helixtrans-82.3-18-179.5-55.3-60.3000112.7L135 N136 S137 L138 Q143 A144L135-D140 HydrophobicContact CB-CB 4.3Å; L135-D140 HydrophobicContact CD1-CB 4.28Å; N136-D140 WeakPolarHBondContact CB-OD2 3.17Å; N136-D140 PolarHBondContact N-OD2 3.48Å; S137-D140 PolarHBondContact N-OD2 2.89Å; S137-D140 PolarHBondContact O-N 3.16Å; S137-D140 VanDerWaalsContact O-N 3.17Å; S137-D140 PolarHBondContact OG-OD2 2.97Å; S137-D140 VanDerWaalsContact OG-OD2 3.12Å; L138-D140 PolarHBondContact O-N 3.14Å; D140-Q143 PolarHBondContact O-N 2.9Å; D140-A144 PolarHBondContact O-N 2.93Å
141L98.6Very high92.2Very high6 Ų670.3 Ų70.33%0.03137%0.369CS..Hα-helixtrans-59.9-44.8-172.4-176.464.1000114.1L4 Y94 V96 V115 W133 L135 L138 Q143 A144 I145L4-L141 HydrophobicContact CD1-CD2 4.03Å; L4-L141 HydrophobicContact CD2-CD2 4.35Å; L4-L141 HydrophobicContact CD2-CG 4.31Å; Y94-L141 HydrophobicContact CD1-CD1 4.48Å; V96-L141 HydrophobicContact CG2-CD2 3.58Å; V115-L141 HydrophobicContact CG1-CD1 4.49Å; V115-L141 HydrophobicContact CG2-CD1 4.23Å; W133-L141 HydrophobicContact CE3-CD1 4.31Å; W133-L141 HydrophobicContact CZ3-CD1 3.99Å; L135-L141 HydrophobicContact CD1-CB 4.1Å; L135-L141 HydrophobicContact CD1-CD1 3.98Å; L138-L141 HydrophobicContact CD1-CB 4.32Å; L138-L141 HydrophobicContact CD1-CD2 3.84Å; L138-L141 WeakPolarHBondContact O-CB 3.01Å; L138-L141 PolarHBondContact O-N 3.34Å; L141-Q143 VanDerWaalsContact C-N 3.27Å; L141-Q143 PolarHBondContact O-N 3.49Å; L141-A144 PolarHBondContact O-N 3.24Å; L141-A144 VanDerWaalsContact O-N 3.14Å; L141-I145 HydrophobicContact CD1-CD1 4.04Å; L141-I145 HydrophobicContact CD1-CG1 4.07Å; L141-I145 HydrophobicContact CD2-CD1 4.48Å; L141-I145 HydrophobicContact CG-CD1 3.88Å; L141-I145 HydrophobicContact CG-CG1 4.32Å; L141-I145 WeakPolarHBondContact O-CG1 3.46Å; L141-I145 PolarHBondContact O-N 3Å
142P98.4Very high89.6Confident15 Ų1577.9 Ų77.910%0.09743%0.432CS..Hα-helixtrans-58.3-39.8178.5-23.233000112.8E3 L4 M7 A139 K146E3-P142 HydrophobicContact CB-CB 4.23Å; E3-P142 HydrophobicContact CB-CG 4.16Å; E3-P142 HydrophobicContact CG-CB 3.74Å; E3-P142 HydrophobicContact CG-CG 4.23Å; L4-P142 HydrophobicContact CD2-CB 4.26Å; L4-P142 HydrophobicContact CD2-CG 3.89Å; L4-P142 HydrophobicContact CG-CG 4.06Å; M7-P142 HydrophobicContact SD-CB 4.02Å; A139-P142 WeakPolarHBondContact O-CD 3.33Å; P142-K146 VanDerWaalsContact O-CG 3.28Å; P142-K146 WeakPolarHBondContact O-CG 3.16Å; P142-K146 PolarHBondContact O-N 2.72Å; P142-K146 VanDerWaalsContact O-N 3.09Å
143Q98.1Very high89.2Confident117 Ų11777.8 Ų77.855%0.54743%0.431SS..Hα-helixtrans-71.6-38.1177.3-83.8-68.45.400112.1D140 L141 K146 K147D140-Q143 PolarHBondContact O-N 2.9Å; L141-Q143 VanDerWaalsContact C-N 3.27Å; L141-Q143 PolarHBondContact O-N 3.49Å; Q143-K146 PolarHBondContact O-N 3.31Å; Q143-K147 WeakPolarHBondContact O-CG 3.37Å; Q143-K147 PolarHBondContact O-N 3.41Å; Q143-K147 VanDerWaalsContact O-N 3.08Å
144A98Very high88.7Confident20 Ų2079.6 Ų79.617%0.16545%0.446CS..Hα-helixtrans-59.4-46174.800000111.6W133 L135 D140 L141 K147 Q148W133-A144 HydrophobicContact CE3-CB 4.03Å; W133-A144 HydrophobicContact CZ3-CB 3.81Å; L135-A144 HydrophobicContact CD1-CB 4.07Å; L135-A144 HydrophobicContact CD2-CB 4.17Å; D140-A144 PolarHBondContact O-N 2.93Å; L141-A144 PolarHBondContact O-N 3.24Å; L141-A144 VanDerWaalsContact O-N 3.14Å; A144-K147 PolarHBondContact O-N 2.76Å; A144-Q148 PolarHBondContact O-N 3.18Å
145I98Very high88.1Confident2 Ų282.1 Ų82.11%0.0146%0.459CS..Hα-helixtrans-63.5-47.4177.8-64.6172000111.1L4 M7 F9 Y94 W133 L141 K147 Q148 Q149L4-I145 HydrophobicContact CD2-CD1 3.91Å; M7-I145 HydrophobicContact CE-CB 3.89Å; M7-I145 HydrophobicContact CE-CG2 3.57Å; F9-I145 HydrophobicContact CE2-CD1 3.99Å; F9-I145 HydrophobicContact CE2-CG2 4.21Å; F9-I145 HydrophobicContact CZ-CD1 4.12Å; F9-I145 HydrophobicContact CZ-CG2 4.17Å; Y94-I145 HydrophobicContact CD2-CD1 3.99Å; Y94-I145 HydrophobicContact CE1-CD1 4.35Å; Y94-I145 HydrophobicContact CE1-CG1 4.01Å; Y94-I145 HydrophobicContact CE2-CD1 3.77Å; Y94-I145 HydrophobicContact CE2-CG1 4.07Å; Y94-I145 HydrophobicContact CG-CD1 4.37Å; W133-I145 HydrophobicContact CH2-CG1 4.33Å; W133-I145 HydrophobicContact CZ3-CG1 4.18Å; L141-I145 HydrophobicContact CD1-CD1 4.04Å; L141-I145 HydrophobicContact CD1-CG1 4.07Å; L141-I145 HydrophobicContact CD2-CD1 4.48Å; L141-I145 HydrophobicContact CG-CD1 3.88Å; L141-I145 HydrophobicContact CG-CG1 4.32Å; L141-I145 WeakPolarHBondContact O-CG1 3.46Å; L141-I145 PolarHBondContact O-N 3Å; I145-K147 PolarHBondContact O-N 3.25Å; I145-Q148 PolarHBondContact O-N 3.12Å; I145-Q149 PolarHBondContact O-N 3.39Å
146K97Very high87.5Confident77 Ų7785.3 Ų85.334%0.33548%0.477SS..Hα-helixtrans-59-33.1178.7-75.3175.1-177.4-176.80113.1E3 M7 P142 Q143 Q148E3-K146 WeakPolarHBondContact OE1-CE 3.21Å; E3-K146 IonicContact OE1-NZ 2.71Å; E3-K146 PolarHBondContact OE1-NZ 3.37Å; M7-K146 HydrophobicContact CE-CG 3.86Å; M7-K146 HydrophobicContact SD-CG 4.49Å; P142-K146 VanDerWaalsContact O-CG 3.28Å; P142-K146 WeakPolarHBondContact O-CG 3.16Å; P142-K146 PolarHBondContact O-N 2.72Å; P142-K146 VanDerWaalsContact O-N 3.09Å; Q143-K146 PolarHBondContact O-N 3.31Å; K146-Q148 VanDerWaalsContact C-N 3.33Å
147K94.8Very high86.8Confident156 Ų15684.1 Ų84.168%0.67847%0.472SS*.Hα-helixtrans-68.1-30.9177.2-76.8176.7-179.4-177.50112.8Q143 A144 I145Q143-K147 WeakPolarHBondContact O-CG 3.37Å; Q143-K147 PolarHBondContact O-N 3.41Å; Q143-K147 VanDerWaalsContact O-N 3.08Å; A144-K147 PolarHBondContact O-N 2.76Å; I145-K147 PolarHBondContact O-N 3.25Å
148Q87.2Confident86.1Confident118 Ų11887.9 Ų87.955%0.55149%0.491SS*.Hα-helixtrans-76.4-27.6177.8-69.1-145.1-18.900113.8W133 A144 I145 K146W133-Q148 HydrophobicContact CH2-CG 4.19Å; W133-Q148 HydrophobicContact CZ2-CG 3.95Å; A144-Q148 PolarHBondContact O-N 3.18Å; I145-Q148 PolarHBondContact O-N 3.12Å; K146-Q148 VanDerWaalsContact C-N 3.33Å
149Q74.6Confident85.2Confident135 Ų13589.7 Ų89.763%0.63150%0.503SS*.SBendtrans-82-10.5-177.6-68.1-177.2-300114I145 P151I145-Q149 PolarHBondContact O-N 3.39Å; Q149-P151 WeakPolarHBondContact O-CD 3.42Å
150K56.3Low84.1Confident168 Ų16890.3 Ų90.373%0.7349%0.489SS*.SBendtrans-77.7119.7177-77.5-173.3175.8-174.30109.8
151P49.6Very low82.9Confident123 Ų12392.8 Ų92.880%0.79950%0.503SS*.  trans-63.1140.9166.328.2-31.6000108.7Q149Q149-P151 WeakPolarHBondContact O-CD 3.42Å
152A44.6Very low81.5Confident177 Ų177100.7 Ų100.7100%1.46355%0.546SS*.  trans-59.10175.300000112.1

Retrieved 152 of 152 residues in 124.2 ms (Link to these results)

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